A0A087XDB4_POEFO Loading...

Dynamin-2

AlphaFold DB , UniProt , Accession A0A087XDB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 860 aa.

						>A0A087XDB4_POEFO|A0A087XDB4
MGNRGMEDLIPLINKLQDAFSSIGQSCNLDLPQIAVVGGQSAGKSSVLENFVGRDFLPRGSGIVTRRPLILQLVNNKAEYAEFLHCKGRKFVDFDEVRMEIEAETDRITGSNKGISPVPINLRVYSPNVLNLTLIDLPGMTKVAVGDQPPDIEHQIRDMLLQFIVKESCLILAVTPANTDLANSDALKIAKEVDPQGLRTIGVITKLDLMDEGTDARDILENKLLPLRRGYIGVVNRSQKDIDGKKDIRAALAAERKFFLSHPAYRHIAERMGTPHLQKTLNQQLTNHIRDTLPGLRSKLQSQMLSLEKEVEEYKNFRPDDPTRKTKALLQMVQQFGVDFEKCIEGSGDQVDTSNLSGGAKINRIFHERFPFELVKMEFDEKELRKEISYAIKNIHGVRTGLFTPDMAFEAIVKKQIIKLKEPCLKCIDLVIQELINTVRQCTNKLDSYPRLREETERIVTTHIRERDNKTKDQVLLLIDIELSYINTNHEDFIGFANAQQRTAANATKKRVMPNQVIRRGWLTINISIMKGGSKDYWFVLTAESLSWYKDEEEKEKKFMLPLDNLKLRDVEKGFMSSKHVFAIFNTEQRNVYKDLRQIELACDTQEDVDSWKASFLRAGVYPEKDQHENEDAMIPGDTVSMDPQLERQVETIRNLVDSYISIVNKSIRDLMPKTIMHLMINNTKDFIHSELLAYLYSAGDQGSLMEESAEKAQRRDEMLRMYHALKEALVIIGDISTTTISTPVPPPVDDTWIAKEASPPAASRPLASTAPPPNRPPAARGPPAGAPAPLNPSPAFGAPPVPSRPGAPSPYDANSAVPLIPSRPPRVPPALPPGIPSRRPPAAPNRPTIIRPSEPSLLD
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.4	Very low	52	Low	255 Å²	255	81 Å²	81	100%	1.256	43%	0.427	S	S	*	.				0	138.5	0	-66.9	169.6	179	0	0	107.2
2	G	33.8	Very low	53.2	Low	54 Å²	54	77.3 Å²	77.3	56%	0.557	41%	0.407	S	S	*	.			trans	170.5	-31.7	-178.9	0	0	0	0	0	116.8
3	N	39	Very low	54.5	Low	71 Å²	71	71.6 Å²	71.6	38%	0.38	38%	0.377	S	S	.	.			trans	-100.9	-2.1	-165.2	-70.5	45.2	0	0	0	116.7	G5 M6 E7	N3-G5 PolarHBondContact O-N 3.34Å; N3-M6 HydrophobicContact CB-CE 4.33Å; N3-M6 CarbonylContact O-C 3.58Å; N3-M6 WeakPolarHBondContact O-CA 3.27Å; N3-M6 VanDerWaalsContact O-CB 3.29Å; N3-M6 WeakPolarHBondContact O-CB 3.48Å; N3-M6 PolarHBondContact O-N 3.38Å; N3-E7 PolarHBondContact O-N 3.06Å
4	R	45.2	Very low	55.4	Low	206 Å²	206	67.5 Å²	67.5	78%	0.777	36%	0.356	S	S	*	.	H	α-helix	trans	-54.6	-51.7	-176.4	-87.2	-174.5	171.4	176.3	-3.3	113.8	M6 E7 D8	R4-M6 PolarHBondContact O-N 2.87Å; R4-E7 WeakPolarHBondContact O-CB 3.28Å; R4-E7 PolarHBondContact O-N 3.04Å; R4-D8 PolarHBondContact O-N 3.37Å
5	G	50.6	Low	56.3	Low	24 Å²	24	71.9 Å²	71.9	25%	0.247	37%	0.371	C	S	.	.	H	α-helix	trans	-65.8	-8.7	176	0	0	0	0	0	114.9	N3 T740	N3-G5 PolarHBondContact O-N 3.34Å; G5-T740 WeakPolarHBondContact O-CG2 3.22Å
6	M	52.9	Low	57	Low	19 Å²	19	67.5 Å²	67.5	9%	0.094	35%	0.348	C	S	.	.	H	α-helix	trans	-91.3	-29.4	169.6	-79.7	-174.2	-80.8	0	0	112.5	N3 R4 D8 L9 T286	N3-M6 HydrophobicContact CB-CE 4.33Å; N3-M6 CarbonylContact O-C 3.58Å; N3-M6 WeakPolarHBondContact O-CA 3.27Å; N3-M6 VanDerWaalsContact O-CB 3.29Å; N3-M6 WeakPolarHBondContact O-CB 3.48Å; N3-M6 PolarHBondContact O-N 3.38Å; R4-M6 PolarHBondContact O-N 2.87Å; M6-D8 VanDerWaalsContact C-N 3.28Å; M6-D8 PolarHBondContact O-N 3.07Å; M6-L9 HydrophobicContact CG-CD1 4.48Å; M6-L9 PolarHBondContact O-N 3.29Å; M6-T286 HydrophobicContact CB-CG2 3.59Å; M6-T286 HydrophobicContact CG-CG2 3.47Å; M6-T286 VanDerWaalsContact CG-CG2 3.47Å; M6-T286 HydrophobicContact SD-CG2 3.67Å
7	E	57.4	Low	57.6	Low	101 Å²	101	64.8 Å²	64.8	47%	0.472	33%	0.334	S	S	.	.	H	α-helix	trans	-66.5	-31.1	175.6	-68.2	151.7	-157.6	0	0	111.8	N3 R4 P11 N131	N3-E7 PolarHBondContact O-N 3.06Å; R4-E7 WeakPolarHBondContact O-CB 3.28Å; R4-E7 PolarHBondContact O-N 3.04Å; E7-P11 VanDerWaalsContact O-CD 3.25Å; E7-P11 WeakPolarHBondContact O-CD 3.24Å; E7-N131 PolarHBondContact O-ND2 2.78Å; E7-N131 VanDerWaalsContact O-ND2 3.12Å
8	D	62.8	Low	58	Low	108 Å²	108	64.4 Å²	64.4	58%	0.578	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-21	178.8	-66	-45.2	0	0	0	114.6	R4 M6 I10 P11 L12	R4-D8 PolarHBondContact O-N 3.37Å; M6-D8 VanDerWaalsContact C-N 3.28Å; M6-D8 PolarHBondContact O-N 3.07Å; D8-I10 PolarHBondContact O-N 3.37Å; D8-P11 WeakPolarHBondContact O-CD 3.49Å; D8-L12 WeakPolarHBondContact O-CB 3.45Å; D8-L12 PolarHBondContact O-N 3.48Å
9	L	64.9	Low	58.4	Low	4 Å²	4	61.7 Å²	61.7	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-42.5	-176.4	-85.1	173.3	0	0	0	113.2	M6 L12 I13 T286 I289 I736 T740	M6-L9 HydrophobicContact CG-CD1 4.48Å; M6-L9 PolarHBondContact O-N 3.29Å; L9-L12 PolarHBondContact O-N 3.09Å; L9-I13 PolarHBondContact O-N 3.04Å; L9-T286 HydrophobicContact CD1-CG2 3.74Å; L9-I289 HydrophobicContact CD2-CG2 4.2Å; L9-I736 HydrophobicContact CD2-CB 4.39Å; L9-I736 HydrophobicContact CD2-CD1 4.3Å; L9-I736 HydrophobicContact CD2-CG1 4.18Å; L9-I736 HydrophobicContact CD2-CG2 3.36Å; L9-T740 HydrophobicContact CD1-CG2 4.17Å; L9-T740 HydrophobicContact CD2-CG2 4.48Å; L9-T740 HydrophobicContact CG-CG2 4.36Å
10	I	66.1	Low	58.6	Low	2 Å²	2	59.2 Å²	59.2	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-75.4	-43.4	-172.1	-61.3	169.8	0	0	0	111.6	D8 L12 I13 N14 N131 N282 L285 I289	D8-I10 PolarHBondContact O-N 3.37Å; I10-L12 PolarHBondContact O-N 3.5Å; I10-I13 PolarHBondContact O-N 2.92Å; I10-N14 WeakPolarHBondContact O-CB 3.44Å; I10-N14 VanDerWaalsContact O-CG 3.26Å; I10-N14 PolarHBondContact O-N 3.4Å; I10-N131 HydrophobicContact CB-CB 3.87Å; I10-N131 HydrophobicContact CD1-CB 4.39Å; I10-N131 WeakPolarHBondContact CD1-O 3.1Å; I10-N131 HydrophobicContact CG2-CB 3.87Å; I10-N282 WeakPolarHBondContact CD1-ND2 3.31Å; I10-L285 HydrophobicContact CD1-CD2 4.12Å; I10-I289 HydrophobicContact CG1-CD1 3.86Å
11	P	68.5	Low	58.7	Low	47 Å²	47	59.7 Å²	59.7	31%	0.305	32%	0.316	S	S	.	.	H	α-helix	trans	-53.2	-32.4	165.9	-28.9	36.1	0	0	0	113.9	E7 D8 K15 N131	E7-P11 VanDerWaalsContact O-CD 3.25Å; E7-P11 WeakPolarHBondContact O-CD 3.24Å; D8-P11 WeakPolarHBondContact O-CD 3.49Å; P11-K15 WeakPolarHBondContact O-CG 3.38Å; P11-K15 PolarHBondContact O-N 2.9Å; P11-N131 WeakPolarHBondContact CD-ND2 2.9Å; P11-N131 VanDerWaalsContact CG-ND2 3.34Å; P11-N131 WeakPolarHBondContact CG-ND2 3.47Å
12	L	66.4	Low	59.8	Low	36 Å²	36	52 Å²	52	19%	0.188	29%	0.287	C	S	.	.	H	α-helix	trans	-81.2	-36.8	-177.8	-164	53.1	0	0	0	112.8	D8 L9 I10 N14 K15 L16 I732 I736	D8-L12 WeakPolarHBondContact O-CB 3.45Å; D8-L12 PolarHBondContact O-N 3.48Å; L9-L12 PolarHBondContact O-N 3.09Å; I10-L12 PolarHBondContact O-N 3.5Å; L12-N14 VanDerWaalsContact C-N 3.31Å; L12-K15 HydrophobicContact CD1-CD 3.92Å; L12-K15 PolarHBondContact O-N 3.37Å; L12-L16 PolarHBondContact O-N 3.32Å; L12-L16 VanDerWaalsContact O-N 3.12Å; L12-I732 HydrophobicContact CD1-CG1 4.45Å; L12-I732 HydrophobicContact CD1-CG2 3.67Å; L12-I732 HydrophobicContact CG-CG2 3.84Å; L12-I736 HydrophobicContact CD2-CD1 3.87Å; L12-I736 HydrophobicContact CD2-CG1 3.44Å; L12-I736 VanDerWaalsContact CD2-CG1 3.44Å; L12-I736 HydrophobicContact CG-CD1 4.15Å; L12-I736 HydrophobicContact CG-CG1 4.28Å
13	I	69.4	Low	61	Low	4 Å²	4	50.8 Å²	50.8	2%	0.021	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-38.7	165.2	-68.8	-65.4	0	0	0	110.8	L9 I10 L16 Q17 I289 L293	L9-I13 PolarHBondContact O-N 3.04Å; I10-I13 PolarHBondContact O-N 2.92Å; I13-L16 PolarHBondContact O-N 2.97Å; I13-L16 VanDerWaalsContact O-N 3.15Å; I13-Q17 WeakPolarHBondContact O-CG 3.36Å; I13-Q17 PolarHBondContact O-N 3.35Å; I13-I289 HydrophobicContact CD1-CG2 4.09Å; I13-I289 HydrophobicContact CG1-CD1 4.08Å; I13-I289 HydrophobicContact CG1-CG1 4.26Å; I13-I289 HydrophobicContact CG1-CG2 3.94Å; I13-L293 HydrophobicContact CD1-CD1 4.24Å
14	N	67.7	Low	61.4	Low	14 Å²	14	51 Å²	51	8%	0.075	29%	0.286	C	S	.	.	H	α-helix	trans	-66.2	-40.4	176	-69.2	-7.8	0	0	0	111.8	I10 L12 L16 Q17 D18 T133	I10-N14 WeakPolarHBondContact O-CB 3.44Å; I10-N14 VanDerWaalsContact O-CG 3.26Å; I10-N14 PolarHBondContact O-N 3.4Å; L12-N14 VanDerWaalsContact C-N 3.31Å; N14-L16 PolarHBondContact O-N 3.39Å; N14-Q17 WeakPolarHBondContact O-CB 3.37Å; N14-Q17 PolarHBondContact O-N 2.84Å; N14-Q17 PolarHBondContact OD1-OE1 3.22Å; N14-D18 PolarHBondContact O-N 2.83Å; N14-T133 PolarHBondContact OD1-OG1 3.49Å
15	K	68.6	Low	61.4	Low	134 Å²	134	45.2 Å²	45.2	58%	0.583	27%	0.268	S	S	*	.	H	α-helix	trans	-56.6	-39.1	169.5	-77.7	178.3	177.3	-177.9	0	112.5	P11 L12 D18 A19	P11-K15 WeakPolarHBondContact O-CG 3.38Å; P11-K15 PolarHBondContact O-N 2.9Å; L12-K15 HydrophobicContact CD1-CD 3.92Å; L12-K15 PolarHBondContact O-N 3.37Å; K15-D18 PolarHBondContact O-N 3.26Å; K15-A19 PolarHBondContact O-N 3.44Å
16	L	67.3	Low	61.1	Low	1 Å²	1	49.6 Å²	49.6	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-72.1	-39.1	179.2	-166.5	145.7	0	0	0	111.4	L12 I13 N14 D18 A19 F20 L31 A729 I732 I733	L12-L16 PolarHBondContact O-N 3.32Å; L12-L16 VanDerWaalsContact O-N 3.12Å; I13-L16 PolarHBondContact O-N 2.97Å; I13-L16 VanDerWaalsContact O-N 3.15Å; N14-L16 PolarHBondContact O-N 3.39Å; L16-D18 VanDerWaalsContact C-N 3.28Å; L16-D18 PolarHBondContact O-N 3.3Å; L16-A19 PolarHBondContact O-N 2.94Å; L16-F20 HydrophobicContact CD2-CD2 3.77Å; L16-F20 HydrophobicContact CD2-CE2 3.71Å; L16-F20 HydrophobicContact CG-CD2 4.16Å; L16-F20 HydrophobicContact CG-CE2 3.9Å; L16-F20 WeakPolarHBondContact O-CD2 3.46Å; L16-F20 PolarHBondContact O-N 2.95Å; L16-L31 HydrophobicContact CD2-CD1 3.8Å; L16-L31 HydrophobicContact CD2-CD2 3.5Å; L16-L31 HydrophobicContact CD2-CG 4.32Å; L16-A729 HydrophobicContact CD1-CB 3.89Å; L16-A729 HydrophobicContact CG-CB 4.19Å; L16-I732 HydrophobicContact CB-CG2 4.4Å; L16-I732 HydrophobicContact CD1-CG2 3.98Å; L16-I733 HydrophobicContact CD1-CD1 3.75Å; L16-I733 HydrophobicContact CD1-CG1 3.8Å
17	Q	66.8	Low	60.7	Low	22 Å²	22	50.4 Å²	50.4	10%	0.103	30%	0.302	C	S	.	.	H	α-helix	trans	-56.3	-42.1	168	-74.2	-179.8	-16.7	0	0	111.6	I13 N14 S21 L31	I13-Q17 WeakPolarHBondContact O-CG 3.36Å; I13-Q17 PolarHBondContact O-N 3.35Å; N14-Q17 WeakPolarHBondContact O-CB 3.37Å; N14-Q17 PolarHBondContact O-N 2.84Å; N14-Q17 PolarHBondContact OD1-OE1 3.22Å; Q17-S21 VanDerWaalsContact O-CB 3.25Å; Q17-S21 WeakPolarHBondContact O-CB 3.35Å; Q17-S21 PolarHBondContact O-N 3.47Å; Q17-S21 PolarHBondContact O-OG 3.5Å; Q17-L31 HydrophobicContact CB-CD1 4.44Å; Q17-L31 HydrophobicContact CG-CD1 3.5Å
18	D	66.1	Low	60.5	Low	57 Å²	57	51 Å²	51	31%	0.305	31%	0.308	S	S	.	.	H	α-helix	trans	-68.2	-45.3	-179.8	-73.6	21.3	0	0	0	112.6	N14 K15 L16 F20 S21 S22 R123	N14-D18 PolarHBondContact O-N 2.83Å; K15-D18 PolarHBondContact O-N 3.26Å; L16-D18 VanDerWaalsContact C-N 3.28Å; L16-D18 PolarHBondContact O-N 3.3Å; D18-F20 VanDerWaalsContact C-N 3.34Å; D18-F20 PolarHBondContact O-N 3.49Å; D18-S21 PolarHBondContact O-N 3.31Å; D18-S22 WeakPolarHBondContact O-CB 3.39Å; D18-S22 PolarHBondContact O-N 3.04Å; D18-R123 IonicContact OD1-CZ 4Å; D18-R123 IonicContact OD1-NH1 3.97Å; D18-R123 IonicContact OD1-NH2 2.67Å; D18-R123 PolarHBondContact OD1-NH2 3.24Å; D18-R123 IonicContact OD2-CZ 2.66Å; D18-R123 VanDerWaalsContact OD2-CZ 3.32Å; D18-R123 IonicContact OD2-NH1 2.88Å; D18-R123 PolarHBondContact OD2-NH1 3.34Å; D18-R123 IonicContact OD2-NH2 2.95Å; D18-R123 PolarHBondContact OD2-NH2 3.26Å; D18-R123 VanDerWaalsContact OD2-NH2 3.12Å
19	A	64.7	Low	60.3	Low	13 Å²	13	46.7 Å²	46.7	11%	0.107	29%	0.285	C	S	.	.	H	α-helix	trans	-53.9	-52	176.8	0	0	0	0	0	110.4	K15 L16 S22 I23	K15-A19 PolarHBondContact O-N 3.44Å; L16-A19 PolarHBondContact O-N 2.94Å; A19-S22 PolarHBondContact O-N 2.76Å; A19-S22 PolarHBondContact O-OG 3.05Å; A19-I23 WeakPolarHBondContact O-CG1 3.27Å
20	F	62.9	Low	60.3	Low	11 Å²	11	48.9 Å²	48.9	5%	0.048	30%	0.297	C	S	.	.	H	α-helix	trans	-71.7	-35.4	179.3	-69.6	-69.1	0	0	0	113.9	L16 D18 S22 I23 C27 L29 L300 A725 L726 A729	L16-F20 HydrophobicContact CD2-CD2 3.77Å; L16-F20 HydrophobicContact CD2-CE2 3.71Å; L16-F20 HydrophobicContact CG-CD2 4.16Å; L16-F20 HydrophobicContact CG-CE2 3.9Å; L16-F20 WeakPolarHBondContact O-CD2 3.46Å; L16-F20 PolarHBondContact O-N 2.95Å; D18-F20 VanDerWaalsContact C-N 3.34Å; D18-F20 PolarHBondContact O-N 3.49Å; F20-S22 PolarHBondContact O-N 2.9Å; F20-I23 HydrophobicContact CD1-CD1 3.61Å; F20-I23 HydrophobicContact CE1-CD1 4.2Å; F20-I23 HydrophobicContact CG-CD1 4.48Å; F20-I23 PolarHBondContact O-N 3.04Å; F20-C27 HydrophobicContact CB-CB 4.35Å; F20-C27 HydrophobicContact CD1-CB 3.86Å; F20-C27 HydrophobicContact CG-CB 4.29Å; F20-L29 HydrophobicContact CB-CD1 4.21Å; F20-L29 HydrophobicContact CD1-CD1 3.67Å; F20-L29 HydrophobicContact CD2-CD1 3.19Å; F20-L29 HydrophobicContact CE1-CD1 3.79Å; F20-L29 HydrophobicContact CE2-CD1 3.32Å; F20-L29 HydrophobicContact CG-CD1 3.39Å; F20-L29 HydrophobicContact CZ-CD1 3.63Å; F20-L300 HydrophobicContact CE2-CD2 4.32Å; F20-L300 HydrophobicContact CZ-CD2 3.77Å; F20-A725 HydrophobicContact CE1-CB 4.48Å; F20-L726 HydrophobicContact CE1-CD2 3.87Å; F20-L726 HydrophobicContact CE1-CG 4.36Å; F20-L726 HydrophobicContact CZ-CD2 4Å; F20-A729 HydrophobicContact CE2-CB 3.44Å; F20-A729 VanDerWaalsContact CE2-CB 3.44Å; F20-A729 HydrophobicContact CZ-CB 3.46Å; F20-A729 VanDerWaalsContact CZ-CB 3.46Å
21	S	59.9	Low	60.3	Low	71 Å²	71	49.3 Å²	49.3	50%	0.497	30%	0.299	S	S	.	.	H	α-helix	trans	-63.7	-23.3	174.9	-59.2	0	0	0	0	113	Q17 D18	Q17-S21 VanDerWaalsContact O-CB 3.25Å; Q17-S21 WeakPolarHBondContact O-CB 3.35Å; Q17-S21 PolarHBondContact O-N 3.47Å; Q17-S21 PolarHBondContact O-OG 3.5Å; D18-S21 PolarHBondContact O-N 3.31Å
22	S	55.8	Low	60.5	Low	93 Å²	93	47.2 Å²	47.2	65%	0.65	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.9	179.3	79.6	0	0	0	0	114.4	D18 A19 F20 G24	D18-S22 WeakPolarHBondContact O-CB 3.39Å; D18-S22 PolarHBondContact O-N 3.04Å; A19-S22 PolarHBondContact O-N 2.76Å; A19-S22 PolarHBondContact O-OG 3.05Å; F20-S22 PolarHBondContact O-N 2.9Å; S22-G24 VanDerWaalsContact C-N 3.34Å
23	I	57.9	Low	61.2	Low	29 Å²	29	46.6 Å²	46.6	15%	0.149	28%	0.282	C	S	.	.	S	Bend	trans	-80.3	-17.9	-175	-47.1	169.2	0	0	0	111.6	A19 F20 Q25 M722 A725	A19-I23 WeakPolarHBondContact O-CG1 3.27Å; F20-I23 HydrophobicContact CD1-CD1 3.61Å; F20-I23 HydrophobicContact CE1-CD1 4.2Å; F20-I23 HydrophobicContact CG-CD1 4.48Å; F20-I23 PolarHBondContact O-N 3.04Å; I23-Q25 PolarHBondContact O-N 3.45Å; I23-Q25 VanDerWaalsContact O-N 3.08Å; I23-M722 HydrophobicContact CD1-CE 4.25Å; I23-M722 HydrophobicContact CD1-SD 4.08Å; I23-M722 HydrophobicContact CG2-CE 3.84Å; I23-A725 HydrophobicContact CD1-CB 3.37Å; I23-A725 HydrophobicContact CG1-CB 4.04Å
24	G	47	Very low	62.2	Low	75 Å²	75	46.4 Å²	46.4	77%	0.773	28%	0.281	S	S	*	.	S	Bend	trans	77.9	-26.6	-177.5	0	0	0	0	0	114.5	S22	S22-G24 VanDerWaalsContact C-N 3.34Å
25	Q	45.4	Very low	63.3	Low	84 Å²	84	45.8 Å²	45.8	39%	0.393	28%	0.277	S	S	.	.	S	Bend	trans	-75.1	134.3	167.7	-66.5	-169.6	2.2	0	0	110.9	I23 C27 E718 M722	I23-Q25 PolarHBondContact O-N 3.45Å; I23-Q25 VanDerWaalsContact O-N 3.08Å; Q25-C27 PolarHBondContact O-N 3.03Å; Q25-E718 PolarHBondContact NE2-OE2 3.15Å; Q25-M722 HydrophobicContact CB-CE 3.98Å; Q25-M722 HydrophobicContact CG-CE 4.43Å
26	S	43.6	Very low	64.6	Low	117 Å²	117	39.4 Å²	39.4	82%	0.818	25%	0.25	S	C	*	.			trans	-74.1	76.1	172.2	59.7	0	0	0	0	110.9	N28	S26-N28 PolarHBondContact O-N 3.31Å
27	C	45.1	Very low	65.8	Low	36 Å²	36	39.3 Å²	39.3	24%	0.243	25%	0.249	C	C	.	.			trans	-54.1	105.2	163.6	-66.7	0	0	0	0	108	F20 Q25 L29 M722	F20-C27 HydrophobicContact CB-CB 4.35Å; F20-C27 HydrophobicContact CD1-CB 3.86Å; F20-C27 HydrophobicContact CG-CB 4.29Å; Q25-C27 PolarHBondContact O-N 3.03Å; C27-L29 HydrophobicContact CB-CD1 3.83Å; C27-L29 HydrophobicContact CB-CG 3.95Å; C27-L29 PolarHBondContact O-N 3.14Å; C27-M722 WeakPolarHBondContact SG-CE 3.25Å; C27-M722 PolarHBondContact SG-SD 3.09Å
28	N	52.8	Low	67.1	Low	113 Å²	113	38.3 Å²	38.3	60%	0.604	24%	0.244	S	C	*	.			trans	-77.4	70.1	-175.9	-155.6	-0.8	0	0	0	109.2	S26 K166 K299	S26-N28 PolarHBondContact O-N 3.31Å; N28-K166 PolarHBondContact OD1-NZ 3.13Å; N28-K299 PolarHBondContact O-NZ 3.12Å
29	L	58.9	Low	68.2	Low	17 Å²	17	36.3 Å²	36.3	9%	0.089	24%	0.238	C	C	.	.			trans	-93.1	120.6	-179.8	-65.9	169.9	0	0	0	107	F20 C27 L31 L296 L300	F20-L29 HydrophobicContact CB-CD1 4.21Å; F20-L29 HydrophobicContact CD1-CD1 3.67Å; F20-L29 HydrophobicContact CD2-CD1 3.19Å; F20-L29 HydrophobicContact CE1-CD1 3.79Å; F20-L29 HydrophobicContact CE2-CD1 3.32Å; F20-L29 HydrophobicContact CG-CD1 3.39Å; F20-L29 HydrophobicContact CZ-CD1 3.63Å; C27-L29 HydrophobicContact CB-CD1 3.83Å; C27-L29 HydrophobicContact CB-CG 3.95Å; C27-L29 PolarHBondContact O-N 3.14Å; L29-L31 HydrophobicContact CB-CD1 4.35Å; L29-L31 HydrophobicContact CB-CD2 4.08Å; L29-L31 HydrophobicContact CB-CG 3.92Å; L29-L31 PolarHBondContact O-N 3.3Å; L29-L296 HydrophobicContact CD2-CD1 4.07Å; L29-L300 HydrophobicContact CD1-CD2 4.22Å; L29-L300 HydrophobicContact CD2-CD2 3.63Å; L29-L300 HydrophobicContact CD2-CG 4.23Å
30	D	64.8	Low	69.2	Low	50 Å²	50	39.2 Å²	39.2	27%	0.267	25%	0.249	S	C	.	.			trans	-83.7	69.7	-174.2	-48	-68.5	0	0	0	107.5	K166 S168 K299	D30-K166 IonicContact OD1-NZ 3.42Å; D30-K166 PolarHBondContact OD1-NZ 3.08Å; D30-S168 VanDerWaalsContact CB-OG 3.31Å; D30-S168 WeakPolarHBondContact CB-OG 3.47Å; D30-S168 VanDerWaalsContact O-CB 3.23Å; D30-S168 WeakPolarHBondContact O-CB 3.32Å; D30-S168 PolarHBondContact O-OG 2.83Å; D30-K299 IonicContact OD2-NZ 3.24Å; D30-K299 PolarHBondContact OD2-NZ 3.2Å
31	L	66.8	Low	70.2	Confident	12 Å²	12	43 Å²	43	6%	0.063	28%	0.277	C	S	.	.			trans	-75.7	141.5	-173.9	-61.1	178.2	0	0	0	110.4	L16 Q17 L29 Q33 L296	L16-L31 HydrophobicContact CD2-CD1 3.8Å; L16-L31 HydrophobicContact CD2-CD2 3.5Å; L16-L31 HydrophobicContact CD2-CG 4.32Å; Q17-L31 HydrophobicContact CB-CD1 4.44Å; Q17-L31 HydrophobicContact CG-CD1 3.5Å; L29-L31 HydrophobicContact CB-CD1 4.35Å; L29-L31 HydrophobicContact CB-CD2 4.08Å; L29-L31 HydrophobicContact CB-CG 3.92Å; L29-L31 PolarHBondContact O-N 3.3Å; L31-Q33 WeakPolarHBondContact O-CG 3.3Å; L31-Q33 PolarHBondContact O-N 3.48Å; L31-L296 HydrophobicContact CD2-CD1 3.96Å; L31-L296 HydrophobicContact CD2-CD2 3.48Å; L31-L296 VanDerWaalsContact CD2-CD2 3.48Å; L31-L296 HydrophobicContact CD2-CG 4.39Å
32	P	72.3	Confident	71.6	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.013	26%	0.255	C	S	.	.			trans	-70.1	124.3	-169.8	-19.7	35.1	0	0	0	111.2	S168 L285 I289 T292	P32-S168 WeakPolarHBondContact CA-O 3.26Å; P32-L285 HydrophobicContact CB-CD1 4.27Å; P32-I289 HydrophobicContact CB-CB 4.46Å; P32-I289 HydrophobicContact CB-CG1 3.61Å; P32-I289 HydrophobicContact CG-CB 4.4Å; P32-I289 HydrophobicContact CG-CG1 3.9Å; P32-T292 WeakPolarHBondContact CG-OG1 3.49Å
33	Q	81.9	Confident	73	Confident	24 Å²	24	36 Å²	36	11%	0.112	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	156.7	-166.3	64.3	-169.7	13.8	0	0	111.3	L31 I135 S168 C169 L170	L31-Q33 WeakPolarHBondContact O-CG 3.3Å; L31-Q33 PolarHBondContact O-N 3.48Å; Q33-I135 HydrophobicContact CB-CD1 4.4Å; Q33-I135 HydrophobicContact CG-CD1 4.18Å; Q33-S168 PolarHBondContact N-O 2.89Å; Q33-C169 HydrophobicContact CG-CB 4.25Å; Q33-C169 WeakPolarHBondContact O-CA 3.45Å; Q33-L170 PolarHBondContact O-N 2.91Å
34	I	89.6	Confident	74.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111.7	177.1	-54	173.1	0	0	0	109.5	L132 T133 L134 I135 L170 L172 L281 L285	I34-L132 HydrophobicContact CD1-CD1 3.88Å; I34-L132 HydrophobicContact CD1-CG 4.27Å; I34-T133 PolarHBondContact N-O 2.75Å; I34-L134 HydrophobicContact CB-CD2 4.01Å; I34-L134 HydrophobicContact CD1-CD2 4.32Å; I34-L134 HydrophobicContact CG2-CD2 3.94Å; I34-L134 CarbonylContact O-C 3.59Å; I34-L134 WeakPolarHBondContact O-CA 3.12Å; I34-I135 PolarHBondContact O-N 3.38Å; I34-L170 WeakPolarHBondContact CA-O 3.44Å; I34-L170 HydrophobicContact CG1-CB 4.27Å; I34-L170 HydrophobicContact CG1-CD1 4.29Å; I34-L172 HydrophobicContact CG2-CB 3.91Å; I34-L172 HydrophobicContact CG2-CD2 4.45Å; I34-L281 HydrophobicContact CD1-CB 4Å; I34-L281 HydrophobicContact CD1-CD2 4.22Å; I34-L285 HydrophobicContact CD1-CB 4.22Å; I34-L285 HydrophobicContact CD1-CD2 4.32Å; I34-L285 HydrophobicContact CG1-CB 4.49Å; I34-L285 HydrophobicContact CG1-CD1 4.29Å; I34-L285 HydrophobicContact CG1-CD2 4.47Å
35	A	92	Very high	76.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	127.6	172.1	0	0	0	0	0	110.9	L137 I164 C169 L170 L172	A35-L137 HydrophobicContact CB-CD1 3.86Å; A35-I164 HydrophobicContact CB-CG2 3.81Å; A35-C169 WeakPolarHBondContact CB-SG 3.23Å; A35-L170 PolarHBondContact N-O 2.85Å; A35-L172 PolarHBondContact O-N 2.64Å
36	V	94.1	Very high	78.5	Confident	0 Å²	0	30 Å²	30	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	110.8	178.4	-166.4	0	0	0	0	109.5	K44 L48 L134 I135 L172 V174	V36-K44 HydrophobicContact CB-CD 4.49Å; V36-K44 HydrophobicContact CG1-CB 4.02Å; V36-K44 HydrophobicContact CG1-CD 3.88Å; V36-K44 HydrophobicContact CG1-CG 3.94Å; V36-L48 HydrophobicContact CG2-CD2 4.15Å; V36-L134 HydrophobicContact CG2-CD2 4.16Å; V36-I135 PolarHBondContact N-O 3.45Å; V36-L172 HydrophobicContact CG1-CD2 4.35Å; V36-L172 HydrophobicContact CG2-CB 4.46Å; V36-L172 HydrophobicContact CG2-CD2 4.14Å; V36-V174 HydrophobicContact CG1-CG2 3.58Å
37	V	94.2	Very high	80.7	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.2	-176.3	-55.5	0	0	0	0	111.5	L137 L160 I164 I171 L172 A173 V174	V37-L137 HydrophobicContact CG1-CD1 4.31Å; V37-L160 HydrophobicContact CB-CD2 4.38Å; V37-L160 HydrophobicContact CG1-CD2 3.86Å; V37-I164 HydrophobicContact CG1-CG2 3.81Å; V37-I171 HydrophobicContact CG1-CG2 4.4Å; V37-I171 HydrophobicContact CG2-CG2 3.49Å; V37-I171 VanDerWaalsContact CG2-CG2 3.49Å; V37-L172 PolarHBondContact N-O 3.46Å; V37-A173 HydrophobicContact CG2-CB 4.36Å; V37-V174 PolarHBondContact O-N 3.37Å
38	G	92.4	Very high	82.7	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.137	C	C	.	.			trans	153.4	164.8	176.2	0	0	0	0	0	112.9	K44 G139	G38-K44 PolarHBondContact O-NZ 3.41Å; G38-G139 WeakPolarHBondContact O-CA 3.35Å
39	G	89.5	Confident	84.4	Confident	16 Å²	16	17.4 Å²	17.4	17%	0.165	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-59	167.9	-174.4	0	0	0	0	0	114.4	A42 K44	G39-A42 WeakPolarHBondContact O-CB 3.32Å; G39-A42 PolarHBondContact O-N 3.03Å; G39-K44 PolarHBondContact O-NZ 3.18Å
40	Q	86.2	Confident	85.7	Confident	73 Å²	73	17.1 Å²	17.1	34%	0.341	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	140.5	165.7	-165.7	-173.2	0.2	0	0	110.2	A42 G62 M140	Q40-A42 PolarHBondContact O-N 3.36Å; Q40-G62 VanDerWaalsContact NE2-CA 3.32Å; Q40-G62 PolarHBondContact NE2-O 3.43Å; Q40-M140 PolarHBondContact N-O 3.05Å
41	S	84.8	Confident	86.6	Confident	92 Å²	92	14.9 Å²	14.9	64%	0.643	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	15.3	178.8	-55.2	0	0	0	0	116.5	G43 K206	S41-G43 PolarHBondContact O-N 2.9Å; S41-K206 VanDerWaalsContact O-CE 3.25Å; S41-K206 WeakPolarHBondContact O-CE 3.47Å; S41-K206 PolarHBondContact O-NZ 3.48Å
42	A	87.6	Confident	87.4	Confident	3 Å²	3	14.4 Å²	14.4	3%	0.025	9%	0.092	C	C	.	.	S	Bend	trans	-70.7	-8.9	173.5	0	0	0	0	0	114.1	G39 Q40 V174 T205	G39-A42 WeakPolarHBondContact O-CB 3.32Å; G39-A42 PolarHBondContact O-N 3.03Å; Q40-A42 PolarHBondContact O-N 3.36Å; A42-V174 HydrophobicContact CB-CG1 4.39Å; A42-V174 WeakPolarHBondContact O-CG1 3.19Å; A42-T205 WeakPolarHBondContact O-CG2 3.32Å; A42-T205 PolarHBondContact O-OG1 3.26Å
43	G	86.9	Confident	87.8	Confident	14 Å²	14	15.8 Å²	15.8	14%	0.144	11%	0.106	C	C	.	.	S	Bend	trans	95.5	11.8	177	0	0	0	0	0	115.9	S41 S45 S46 V47	S41-G43 PolarHBondContact O-N 2.9Å; G43-S45 PolarHBondContact O-N 3.35Å; G43-S46 WeakPolarHBondContact O-CB 3.21Å; G43-S46 PolarHBondContact O-N 2.92Å; G43-S46 VanDerWaalsContact O-N 3.14Å; G43-V47 PolarHBondContact O-N 3.37Å; G43-V47 VanDerWaalsContact O-N 3.08Å
44	K	89.7	Confident	87.9	Confident	13 Å²	13	19.9 Å²	19.9	6%	0.057	12%	0.121	C	C	.	.	H	α-helix	trans	-46.9	-57	178.9	-62.6	-163.4	-60.8	-73	0	112.9	V36 G38 G39 S46 V47 L48 L137 V174	V36-K44 HydrophobicContact CB-CD 4.49Å; V36-K44 HydrophobicContact CG1-CB 4.02Å; V36-K44 HydrophobicContact CG1-CD 3.88Å; V36-K44 HydrophobicContact CG1-CG 3.94Å; G38-K44 PolarHBondContact O-NZ 3.41Å; G39-K44 PolarHBondContact O-NZ 3.18Å; K44-S46 VanDerWaalsContact C-N 3.31Å; K44-S46 PolarHBondContact O-N 2.76Å; K44-V47 WeakPolarHBondContact O-CB 3.5Å; K44-V47 PolarHBondContact O-N 2.97Å; K44-V47 VanDerWaalsContact O-N 3.1Å; K44-L48 PolarHBondContact O-N 3.04Å; K44-L48 VanDerWaalsContact O-N 3.15Å; K44-L137 WeakPolarHBondContact CE-O 3.48Å; K44-V174 HydrophobicContact CG-CB 4.08Å; K44-V174 HydrophobicContact CG-CG1 4.33Å; K44-V174 HydrophobicContact CG-CG2 4.17Å
45	S	87.8	Confident	87.7	Confident	22 Å²	22	22 Å²	22	15%	0.154	13%	0.132	C	C	.	.	H	α-helix	trans	-59.2	-40.7	-178.7	-39.8	0	0	0	0	111.9	G43 V47 L48 E49	G43-S45 PolarHBondContact O-N 3.35Å; S45-V47 VanDerWaalsContact C-N 3.34Å; S45-V47 PolarHBondContact O-N 2.86Å; S45-L48 WeakPolarHBondContact O-CB 3.45Å; S45-L48 PolarHBondContact O-N 3.39Å; S45-E49 VanDerWaalsContact O-CG 3.29Å; S45-E49 WeakPolarHBondContact O-CG 3.48Å; S45-E49 PolarHBondContact O-N 3.06Å
46	S	88.4	Confident	87.6	Confident	25 Å²	25	22 Å²	22	18%	0.175	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-34.8	177.1	-46.3	0	0	0	0	113.2	G43 K44 N50	G43-S46 WeakPolarHBondContact O-CB 3.21Å; G43-S46 PolarHBondContact O-N 2.92Å; G43-S46 VanDerWaalsContact O-N 3.14Å; K44-S46 VanDerWaalsContact C-N 3.31Å; K44-S46 PolarHBondContact O-N 2.76Å; S46-N50 WeakPolarHBondContact O-CB 3.47Å; S46-N50 PolarHBondContact O-N 3.48Å; S46-N50 PolarHBondContact O-OD1 2.85Å
47	V	88.5	Confident	87.4	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.006	13%	0.133	C	C	.	.	H	α-helix	trans	-66.9	-41.2	174.2	173.7	0	0	0	0	110.7	G43 K44 S45 N50 F51 V203 T205 V234 L277	G43-V47 PolarHBondContact O-N 3.37Å; G43-V47 VanDerWaalsContact O-N 3.08Å; K44-V47 WeakPolarHBondContact O-CB 3.5Å; K44-V47 PolarHBondContact O-N 2.97Å; K44-V47 VanDerWaalsContact O-N 3.1Å; S45-V47 VanDerWaalsContact C-N 3.34Å; S45-V47 PolarHBondContact O-N 2.86Å; V47-N50 PolarHBondContact O-N 2.8Å; V47-F51 HydrophobicContact CG1-CE1 4.01Å; V47-F51 HydrophobicContact CG1-CE2 3.74Å; V47-F51 HydrophobicContact CG1-CZ 3.42Å; V47-F51 VanDerWaalsContact CG1-CZ 3.42Å; V47-F51 WeakPolarHBondContact O-CG 3.2Å; V47-F51 PolarHBondContact O-N 2.94Å; V47-F51 VanDerWaalsContact O-N 3.14Å; V47-V203 HydrophobicContact CG2-CG1 4.48Å; V47-T205 HydrophobicContact CG2-CG2 4.17Å; V47-V234 HydrophobicContact CG2-CG2 4.06Å; V47-L277 HydrophobicContact CG1-CD2 3.88Å
48	L	88.3	Confident	86.9	Confident	2 Å²	2	22.9 Å²	22.9	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-65.8	-43.9	176.4	-65.3	169.9	0	0	0	112.4	V36 K44 S45 F51 V52 L57 L71 L134 D136	V36-L48 HydrophobicContact CG2-CD2 4.15Å; K44-L48 PolarHBondContact O-N 3.04Å; K44-L48 VanDerWaalsContact O-N 3.15Å; S45-L48 WeakPolarHBondContact O-CB 3.45Å; S45-L48 PolarHBondContact O-N 3.39Å; L48-F51 HydrophobicContact CD2-CD2 4.4Å; L48-F51 WeakPolarHBondContact O-CB 3.36Å; L48-F51 PolarHBondContact O-N 2.85Å; L48-F51 VanDerWaalsContact O-N 3.16Å; L48-V52 PolarHBondContact O-N 3.3Å; L48-L57 HydrophobicContact CB-CD1 3.85Å; L48-L57 HydrophobicContact CD1-CD1 3.96Å; L48-L71 HydrophobicContact CD2-CD2 4.33Å; L48-L134 HydrophobicContact CD2-CB 4.08Å; L48-L134 HydrophobicContact CD2-CD1 3.74Å; L48-L134 HydrophobicContact CD2-CD2 4.12Å; L48-L134 HydrophobicContact CD2-CG 4.21Å; L48-D136 HydrophobicContact CD1-CB 3.53Å
49	E	88.1	Confident	86.2	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.8	-39.7	176.1	-70.2	169.9	130.9	0	0	112	S45 F51 V52 G53 R54 F56 L57 R59	S45-E49 VanDerWaalsContact O-CG 3.29Å; S45-E49 WeakPolarHBondContact O-CG 3.48Å; S45-E49 PolarHBondContact O-N 3.06Å; E49-F51 VanDerWaalsContact C-N 3.29Å; E49-F51 PolarHBondContact O-N 3.5Å; E49-V52 PolarHBondContact O-N 2.94Å; E49-G53 PolarHBondContact O-N 3.3Å; E49-R54 WeakPolarHBondContact CB-O 3.32Å; E49-F56 HydrophobicContact CG-CD1 4.17Å; E49-F56 HydrophobicContact CG-CE1 4.09Å; E49-F56 PolarHBondContact OE1-N 3.49Å; E49-L57 HydrophobicContact CG-CB 4.3Å; E49-L57 HydrophobicContact CG-CD1 4.13Å; E49-L57 HydrophobicContact CG-CG 4.13Å; E49-L57 PolarHBondContact OE1-N 3.38Å; E49-R59 IonicContact OE1-CZ 3.68Å; E49-R59 VanDerWaalsContact OE1-CZ 3.27Å; E49-R59 IonicContact OE1-NH1 2.71Å; E49-R59 PolarHBondContact OE1-NH1 3.33Å; E49-R59 IonicContact OE1-NH2 3.79Å; E49-R59 PolarHBondContact OE1-NH2 3.15Å; E49-R59 IonicContact OE2-CZ 2.69Å; E49-R59 IonicContact OE2-NH1 3.32Å; E49-R59 PolarHBondContact OE2-NH1 3.48Å; E49-R59 IonicContact OE2-NH2 2.82Å; E49-R59 PolarHBondContact OE2-NH2 2.98Å
50	N	85.1	Confident	85.3	Confident	11 Å²	11	28.7 Å²	28.7	6%	0.059	17%	0.173	C	C	.	.	H	α-helix	trans	-64.3	-29.9	173.6	-73.5	-3.3	0	0	0	112.7	S46 V47 N236 T274	S46-N50 WeakPolarHBondContact O-CB 3.47Å; S46-N50 PolarHBondContact O-N 3.48Å; S46-N50 PolarHBondContact O-OD1 2.85Å; V47-N50 PolarHBondContact O-N 2.8Å; N50-N236 PolarHBondContact ND2-OD1 3.25Å; N50-T274 HydrophobicContact CB-CG2 3.65Å
51	F	83.5	Confident	84.3	Confident	3 Å²	3	31.1 Å²	31.1	1%	0.013	20%	0.198	C	C	.	.	H	α-helix	trans	-72.4	-32.2	173.1	-62.7	-27.6	0	0	0	113.3	V47 L48 E49 L73 L134 T274 L277 Q278 L281	V47-F51 HydrophobicContact CG1-CE1 4.01Å; V47-F51 HydrophobicContact CG1-CE2 3.74Å; V47-F51 HydrophobicContact CG1-CZ 3.42Å; V47-F51 VanDerWaalsContact CG1-CZ 3.42Å; V47-F51 WeakPolarHBondContact O-CG 3.2Å; V47-F51 PolarHBondContact O-N 2.94Å; V47-F51 VanDerWaalsContact O-N 3.14Å; L48-F51 HydrophobicContact CD2-CD2 4.4Å; L48-F51 WeakPolarHBondContact O-CB 3.36Å; L48-F51 PolarHBondContact O-N 2.85Å; L48-F51 VanDerWaalsContact O-N 3.16Å; E49-F51 VanDerWaalsContact C-N 3.29Å; E49-F51 PolarHBondContact O-N 3.5Å; F51-L73 HydrophobicContact CB-CD1 4.31Å; F51-L134 HydrophobicContact CD2-CD1 3.85Å; F51-L134 HydrophobicContact CE2-CD1 4.32Å; F51-L134 HydrophobicContact CE2-CD2 4.43Å; F51-T274 HydrophobicContact CD1-CG2 3.77Å; F51-T274 HydrophobicContact CE1-CG2 3.95Å; F51-L277 HydrophobicContact CE1-CB 4.29Å; F51-L277 HydrophobicContact CE1-CD2 3.91Å; F51-L277 HydrophobicContact CE1-CG 3.93Å; F51-L277 HydrophobicContact CZ-CD2 3.64Å; F51-L277 HydrophobicContact CZ-CG 3.75Å; F51-Q278 HydrophobicContact CD1-CB 3.96Å; F51-Q278 HydrophobicContact CD1-CG 4.14Å; F51-Q278 HydrophobicContact CE1-CB 4.12Å; F51-Q278 PolarHBondContact O-NE2 3.38Å; F51-L281 HydrophobicContact CE1-CD1 4.4Å; F51-L281 HydrophobicContact CE2-CD1 3.7Å; F51-L281 HydrophobicContact CZ-CD1 3.44Å; F51-L281 VanDerWaalsContact CZ-CD1 3.44Å
52	V	83.6	Confident	83.6	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-82.6	-31.5	178.5	177	0	0	0	0	111.8	L48 E49 R54 F56 L71 L73 F94 V124	L48-V52 PolarHBondContact O-N 3.3Å; E49-V52 PolarHBondContact O-N 2.94Å; V52-R54 VanDerWaalsContact C-N 3.34Å; V52-R54 HydrophobicContact CG1-CB 3.94Å; V52-R54 HydrophobicContact CG1-CG 4.15Å; V52-F56 HydrophobicContact CB-CD1 4.3Å; V52-F56 HydrophobicContact CB-CE1 3.8Å; V52-F56 HydrophobicContact CG1-CD1 4.25Å; V52-F56 HydrophobicContact CG1-CE1 4.16Å; V52-F56 HydrophobicContact CG2-CD1 4.4Å; V52-F56 HydrophobicContact CG2-CE1 3.52Å; V52-F56 HydrophobicContact CG2-CZ 3.94Å; V52-L71 HydrophobicContact CG2-CD2 4.48Å; V52-L73 HydrophobicContact CG2-CD1 4.31Å; V52-L73 HydrophobicContact CG2-CD2 3.61Å; V52-F94 HydrophobicContact CG1-CE1 4.35Å; V52-V124 HydrophobicContact CG1-CG1 3.89Å
53	G	81.9	Confident	82.8	Confident	31 Å²	31	28.4 Å²	28.4	32%	0.32	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	17.9	-171.7	0	0	0	0	0	113.5	E49	E49-G53 PolarHBondContact O-N 3.3Å
54	R	84.5	Confident	82.4	Confident	110 Å²	110	29.9 Å²	29.9	42%	0.415	19%	0.186	S	C	.	.	S	Bend	trans	-140.1	149.5	179.8	-60.7	-66	-176.4	171.7	4.3	110.7	E49 V52 F56 E79 F94	E49-R54 WeakPolarHBondContact CB-O 3.32Å; V52-R54 VanDerWaalsContact C-N 3.34Å; V52-R54 HydrophobicContact CG1-CB 3.94Å; V52-R54 HydrophobicContact CG1-CG 4.15Å; R54-F56 WeakPolarHBondContact O-CD1 3.38Å; R54-E79 IonicContact CZ-OE2 3.34Å; R54-E79 IonicContact NE-OE1 3.51Å; R54-E79 IonicContact NE-OE2 2.99Å; R54-E79 PolarHBondContact NE-OE2 3.41Å; R54-E79 IonicContact NH2-OE2 2.77Å; R54-E79 PolarHBondContact NH2-OE2 3.11Å; R54-F94 HydrophobicContact CB-CB 4.35Å; R54-F94 HydrophobicContact CB-CD1 4.02Å; R54-F94 HydrophobicContact CB-CD2 4.25Å; R54-F94 HydrophobicContact CB-CE1 4.37Å; R54-F94 HydrophobicContact CB-CG 3.94Å; R54-F94 HydrophobicContact CG-CD1 4.32Å; R54-F94 HydrophobicContact CG-CD2 3.87Å; R54-F94 HydrophobicContact CG-CE1 4.31Å; R54-F94 HydrophobicContact CG-CE2 3.88Å; R54-F94 HydrophobicContact CG-CG 4.09Å; R54-F94 HydrophobicContact CG-CZ 4.1Å
55	D	84.9	Confident	82	Confident	44 Å²	44	30.1 Å²	30.1	24%	0.235	19%	0.189	C	C	.	.			trans	-85.2	111.5	167.9	-72.7	-81.9	0	0	0	109	R59 R98 R237	D55-R59 IonicContact OD1-CZ 3.36Å; D55-R59 IonicContact OD1-NE 2.64Å; D55-R59 IonicContact OD1-NH2 3.82Å; D55-R59 PolarHBondContact OD1-NH2 3.47Å; D55-R98 PolarHBondContact O-NH2 3.47Å; D55-R237 IonicContact OD1-CZ 2.68Å; D55-R237 IonicContact OD1-NH1 2.68Å; D55-R237 IonicContact OD1-NH2 2.79Å; D55-R237 PolarHBondContact OD1-NH2 3.18Å; D55-R237 IonicContact OD2-CZ 3.42Å; D55-R237 IonicContact OD2-NH1 3.56Å; D55-R237 PolarHBondContact OD2-NH1 2.99Å; D55-R237 IonicContact OD2-NH2 3.6Å; D55-R237 PolarHBondContact OD2-NH2 2.85Å
56	F	89.1	Confident	82	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.188	C	C	.	.			trans	-145.4	-8.5	-175.1	75	-83.3	0	0	0	114.1	E49 V52 R54 L71 F94 V97 R98 I101 L122	E49-F56 HydrophobicContact CG-CD1 4.17Å; E49-F56 HydrophobicContact CG-CE1 4.09Å; E49-F56 PolarHBondContact OE1-N 3.49Å; V52-F56 HydrophobicContact CB-CD1 4.3Å; V52-F56 HydrophobicContact CB-CE1 3.8Å; V52-F56 HydrophobicContact CG1-CD1 4.25Å; V52-F56 HydrophobicContact CG1-CE1 4.16Å; V52-F56 HydrophobicContact CG2-CD1 4.4Å; V52-F56 HydrophobicContact CG2-CE1 3.52Å; V52-F56 HydrophobicContact CG2-CZ 3.94Å; R54-F56 WeakPolarHBondContact O-CD1 3.38Å; F56-L71 HydrophobicContact CE2-CD1 4.01Å; F56-L71 HydrophobicContact CE2-CD2 4.45Å; F56-L71 HydrophobicContact CZ-CD1 4.03Å; F56-L71 HydrophobicContact CZ-CD2 3.81Å; F56-F94 HydrophobicContact CB-CB 4.04Å; F56-F94 HydrophobicContact CB-CD1 3.75Å; F56-F94 HydrophobicContact CB-CG 4.38Å; F56-F94 HydrophobicContact CG-CD1 4.31Å; F56-V97 HydrophobicContact CB-CG1 4.25Å; F56-V97 HydrophobicContact CD2-CG1 4.12Å; F56-R98 WeakPolarHBondContact O-CA 3.48Å; F56-R98 WeakPolarHBondContact O-CB 3.37Å; F56-I101 HydrophobicContact CD2-CD1 4.32Å; F56-L122 HydrophobicContact CD2-CD2 4.04Å; F56-L122 HydrophobicContact CE2-CD2 3.89Å
57	L	89.6	Confident	82	Confident	3 Å²	3	30 Å²	30	2%	0.016	18%	0.181	C	C	.	.	S	Bend	trans	-87.9	151.1	176.4	-65.2	178.7	0	0	0	110.1	L48 E49 L69 R98 I101	L48-L57 HydrophobicContact CB-CD1 3.85Å; L48-L57 HydrophobicContact CD1-CD1 3.96Å; E49-L57 HydrophobicContact CG-CB 4.3Å; E49-L57 HydrophobicContact CG-CD1 4.13Å; E49-L57 HydrophobicContact CG-CG 4.13Å; E49-L57 PolarHBondContact OE1-N 3.38Å; L57-L69 HydrophobicContact CD2-CD2 3.33Å; L57-R98 VanDerWaalsContact O-CD 3.23Å; L57-R98 WeakPolarHBondContact O-CD 3.39Å; L57-R98 WeakPolarHBondContact O-CG 3.38Å; L57-R98 PolarHBondContact O-NE 3.08Å; L57-I101 HydrophobicContact CD2-CD1 4.29Å
58	P	84.9	Confident	82	Confident	17 Å²	17	29.9 Å²	29.9	11%	0.11	18%	0.181	C	C	.	.			trans	-55	154.9	174.7	-26.9	36.5	0	0	0	112.1	V64 I101 E102	P58-V64 HydrophobicContact CB-CG1 3.72Å; P58-V64 WeakPolarHBondContact O-CG1 3.4Å; P58-I101 HydrophobicContact CG-CB 4.26Å; P58-I101 HydrophobicContact CG-CG2 3.67Å; P58-E102 WeakPolarHBondContact CA-OE1 3.32Å; P58-E102 HydrophobicContact CB-CG 3.84Å; P58-E102 VanDerWaalsContact CB-OE1 3.29Å; P58-E102 WeakPolarHBondContact CB-OE1 3.39Å; P58-E102 HydrophobicContact CG-CG 3.72Å
59	R	78.2	Confident	82.2	Confident	80 Å²	80	30.1 Å²	30.1	30%	0.302	18%	0.182	S	C	.	.			trans	-138.1	131.9	175.3	-61.8	-162	-173.7	-59.4	11.7	110.9	E49 D55	E49-R59 IonicContact OE1-CZ 3.68Å; E49-R59 VanDerWaalsContact OE1-CZ 3.27Å; E49-R59 IonicContact OE1-NH1 2.71Å; E49-R59 PolarHBondContact OE1-NH1 3.33Å; E49-R59 IonicContact OE1-NH2 3.79Å; E49-R59 PolarHBondContact OE1-NH2 3.15Å; E49-R59 IonicContact OE2-CZ 2.69Å; E49-R59 IonicContact OE2-NH1 3.32Å; E49-R59 PolarHBondContact OE2-NH1 3.48Å; E49-R59 IonicContact OE2-NH2 2.82Å; E49-R59 PolarHBondContact OE2-NH2 2.98Å; D55-R59 IonicContact OD1-CZ 3.36Å; D55-R59 IonicContact OD1-NE 2.64Å; D55-R59 IonicContact OD1-NH2 3.82Å; D55-R59 PolarHBondContact OD1-NH2 3.47Å
60	G	70.6	Confident	82.2	Confident	58 Å²	58	31.3 Å²	31.3	60%	0.598	19%	0.188	S	C	*	.			trans	177.9	177.5	177.8	0	0	0	0	0	114.1	V64	G60-V64 VanDerWaalsContact O-CG2 3.25Å; G60-V64 WeakPolarHBondContact O-CG2 3.32Å
61	S	64.7	Low	82.4	Confident	123 Å²	123	30.9 Å²	30.9	86%	0.86	19%	0.186	S	C	*	.	S	Bend	trans	-88.1	124.3	174.9	56.3	0	0	0	0	111.5
62	G	69.7	Low	82.5	Confident	21 Å²	21	30.9 Å²	30.9	22%	0.216	19%	0.186	C	C	.	.	S	Bend	trans	118.3	-157.9	-176.6	0	0	0	0	0	112	Q40 V64	Q40-G62 VanDerWaalsContact NE2-CA 3.32Å; Q40-G62 PolarHBondContact NE2-O 3.43Å; G62-V64 PolarHBondContact O-N 3.19Å
63	I	71	Confident	82.6	Confident	17 Å²	17	30.9 Å²	30.9	9%	0.087	19%	0.186	C	C	.	.			trans	-76.8	110	170.3	-60.8	175.5	0	0	0	107.9	T65 R66 T141 Q148 I152 I156	I63-T65 VanDerWaalsContact CG2-O 3.24Å; I63-T65 WeakPolarHBondContact CG2-O 3.37Å; I63-R66 HydrophobicContact CB-CG 4.47Å; I63-R66 HydrophobicContact CG2-CG 3.99Å; I63-T141 HydrophobicContact CD1-CG2 4.1Å; I63-Q148 VanDerWaalsContact CD1-NE2 3.3Å; I63-I152 HydrophobicContact CD1-CD1 4.41Å; I63-I152 HydrophobicContact CD1-CG1 3.97Å; I63-I156 HydrophobicContact CD1-CD1 3.62Å
64	V	77.4	Confident	82.6	Confident	45 Å²	45	30.8 Å²	30.8	27%	0.273	18%	0.179	S	C	.	.	S	Bend	trans	-79.8	-61.2	-179.6	178.6	0	0	0	0	110	P58 G60 G62 R66	P58-V64 HydrophobicContact CB-CG1 3.72Å; P58-V64 WeakPolarHBondContact O-CG1 3.4Å; G60-V64 VanDerWaalsContact O-CG2 3.25Å; G60-V64 WeakPolarHBondContact O-CG2 3.32Å; G62-V64 PolarHBondContact O-N 3.19Å; V64-R66 PolarHBondContact O-N 3.06Å; V64-R66 VanDerWaalsContact O-N 3.13Å
65	T	82.9	Confident	82.5	Confident	19 Å²	19	29.5 Å²	29.5	12%	0.117	18%	0.18	C	C	.	.			trans	-74.8	96.9	172.3	-48.6	0	0	0	0	109.8	I63 R67 D136 P138	I63-T65 VanDerWaalsContact CG2-O 3.24Å; I63-T65 WeakPolarHBondContact CG2-O 3.37Å; T65-R67 VanDerWaalsContact CG2-O 3.26Å; T65-R67 WeakPolarHBondContact CG2-O 3.43Å; T65-D136 WeakPolarHBondContact CB-OD2 3.43Å; T65-D136 HydrophobicContact CG2-CB 4.35Å; T65-D136 WeakPolarHBondContact CG2-OD2 3.36Å; T65-D136 PolarHBondContact OG1-OD2 2.94Å; T65-P138 WeakPolarHBondContact O-CA 3.12Å; T65-P138 VanDerWaalsContact O-CB 3.29Å; T65-P138 WeakPolarHBondContact O-CB 3.27Å; T65-P138 WeakPolarHBondContact O-CG 3.31Å
66	R	86.6	Confident	82.5	Confident	33 Å²	33	30 Å²	30	13%	0.125	18%	0.183	C	C	.	.			trans	-94.9	-13.3	179.5	-70.1	179.2	-76.4	152.2	-10.7	114.6	I63 V64 T105 D106 T109 G110 G114 I115 S116	I63-R66 HydrophobicContact CB-CG 4.47Å; I63-R66 HydrophobicContact CG2-CG 3.99Å; V64-R66 PolarHBondContact O-N 3.06Å; V64-R66 VanDerWaalsContact O-N 3.13Å; R66-T105 HydrophobicContact CB-CG2 3.74Å; R66-D106 IonicContact CZ-OD1 3.25Å; R66-D106 IonicContact NH1-OD1 3.66Å; R66-D106 PolarHBondContact NH1-OD1 3.17Å; R66-D106 IonicContact NH2-OD1 2.68Å; R66-D106 PolarHBondContact NH2-OD1 3.26Å; R66-D106 IonicContact NH2-OD2 3.27Å; R66-D106 PolarHBondContact NH2-OD2 3.28Å; R66-T109 PolarHBondContact NH1-OG1 3.45Å; R66-G110 PolarHBondContact NH1-O 3.32Å; R66-G114 WeakPolarHBondContact CD-O 3.35Å; R66-I115 HydrophobicContact CB-CG2 4.29Å; R66-I115 HydrophobicContact CG-CG2 4.44Å; R66-I115 VanDerWaalsContact O-CA 3.22Å; R66-I115 WeakPolarHBondContact O-CA 3.34Å; R66-I115 VanDerWaalsContact O-CB 3.29Å; R66-I115 WeakPolarHBondContact O-CB 3.39Å; R66-S116 PolarHBondContact O-N 2.69Å; R66-S116 VanDerWaalsContact O-N 3.12Å
67	R	88.5	Confident	82.3	Confident	10 Å²	10	39.7 Å²	39.7	4%	0.038	23%	0.225	C	C	.	.	S	Bend	trans	-130.4	148.2	173.1	-70.9	174.6	64.7	-172.7	-6.4	108.8	T65 L69 E104 T105 I108 T109 V118 P119 I120	T65-R67 VanDerWaalsContact CG2-O 3.26Å; T65-R67 WeakPolarHBondContact CG2-O 3.43Å; R67-L69 PolarHBondContact O-N 3.22Å; R67-E104 IonicContact CZ-OE1 2.74Å; R67-E104 VanDerWaalsContact NH1-CD 3.32Å; R67-E104 PolarHBondContact NH1-O 3.48Å; R67-E104 IonicContact NH1-OE1 3.96Å; R67-E104 PolarHBondContact NH1-OE1 2.66Å; R67-E104 IonicContact NH2-OE1 3.17Å; R67-E104 PolarHBondContact NH2-OE1 2.98Å; R67-T105 HydrophobicContact CG-CG2 4.41Å; R67-I108 VanDerWaalsContact NH1-CG1 3.28Å; R67-T109 HydrophobicContact CG-CG2 4.06Å; R67-V118 PolarHBondContact NE-O 3.28Å; R67-V118 PolarHBondContact NH2-O 2.65Å; R67-V118 VanDerWaalsContact NH2-O 3.13Å; R67-P119 PolarHBondContact NH2-O 3.44Å; R67-I120 HydrophobicContact CB-CD1 4.42Å; R67-I120 HydrophobicContact CB-CG1 4.43Å; R67-I120 VanDerWaalsContact CZ-CG1 3.49Å
68	P	89.9	Confident	82.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.244	C	C	.	.			trans	-56.1	131.8	170.3	-26.1	36.1	0	0	0	111.1	S116 P119 I120 I135 D136 L137 M159 F163	P68-S116 WeakPolarHBondContact CD-O 3.38Å; P68-P119 HydrophobicContact CB-CB 4.18Å; P68-P119 CarbonylContact O-C 3.59Å; P68-P119 WeakPolarHBondContact O-CA 3.4Å; P68-I120 PolarHBondContact O-N 2.96Å; P68-I135 HydrophobicContact CB-CG2 4.33Å; P68-D136 WeakPolarHBondContact CA-O 3.44Å; P68-L137 HydrophobicContact CB-CD2 3.79Å; P68-L137 HydrophobicContact CG-CD2 4.01Å; P68-M159 HydrophobicContact CG-CG 4.23Å; P68-M159 HydrophobicContact CG-SD 3.73Å; P68-F163 HydrophobicContact CB-CE2 4.1Å; P68-F163 HydrophobicContact CB-CZ 3.89Å; P68-F163 HydrophobicContact CG-CE2 3.76Å; P68-F163 HydrophobicContact CG-CZ 3.92Å
69	L	91.2	Very high	82.4	Confident	7 Å²	7	43.4 Å²	43.4	4%	0.037	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	107	175.1	-179.3	67.6	0	0	0	109.6	L57 R67 L71 I101 I120 L122 I135 D136	L57-L69 HydrophobicContact CD2-CD2 3.33Å; R67-L69 PolarHBondContact O-N 3.22Å; L69-L71 PolarHBondContact O-N 3.26Å; L69-I101 HydrophobicContact CD2-CD1 4.21Å; L69-I120 HydrophobicContact CD1-CB 3.8Å; L69-I120 HydrophobicContact CD1-CG2 3.74Å; L69-L122 HydrophobicContact CD1-CB 4Å; L69-L122 HydrophobicContact CD1-CD2 4.4Å; L69-I135 WeakPolarHBondContact O-CA 3.48Å; L69-D136 HydrophobicContact CB-CB 4.28Å; L69-D136 PolarHBondContact N-O 3.14Å; L69-D136 PolarHBondContact O-N 2.85Å
70	I	88.7	Confident	83.1	Confident	24 Å²	24	41 Å²	41	12%	0.123	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	105.2	172.7	-59.1	175.5	0	0	0	107.5	P119 I120 N121 L122 T133 I135	I70-P119 HydrophobicContact CD1-CB 3.66Å; I70-P119 HydrophobicContact CD1-CG 3.94Å; I70-P119 HydrophobicContact CG1-CB 3.95Å; I70-I120 PolarHBondContact N-O 3.18Å; I70-N121 WeakPolarHBondContact CB-OD1 3.47Å; I70-L122 PolarHBondContact O-N 3.33Å; I70-T133 HydrophobicContact CG2-CG2 4.35Å; I70-I135 HydrophobicContact CG1-CD1 4.33Å; I70-I135 HydrophobicContact CG1-CG1 4.22Å; I70-I135 HydrophobicContact CG1-CG2 4.32Å
71	L	88.6	Confident	84.2	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	105.8	-176.9	178.6	66.2	0	0	0	109.6	L48 V52 F56 L69 L73 L122 V124 L134	L48-L71 HydrophobicContact CD2-CD2 4.33Å; V52-L71 HydrophobicContact CG2-CD2 4.48Å; F56-L71 HydrophobicContact CE2-CD1 4.01Å; F56-L71 HydrophobicContact CE2-CD2 4.45Å; F56-L71 HydrophobicContact CZ-CD1 4.03Å; F56-L71 HydrophobicContact CZ-CD2 3.81Å; L69-L71 PolarHBondContact O-N 3.26Å; L71-L73 HydrophobicContact CD1-CD2 3.87Å; L71-L73 HydrophobicContact CD2-CD2 3.98Å; L71-L73 HydrophobicContact CG-CD2 3.71Å; L71-L73 HydrophobicContact CG-CG 4.28Å; L71-L122 HydrophobicContact CD1-CD2 4.07Å; L71-L122 HydrophobicContact CD1-CG 4.14Å; L71-V124 HydrophobicContact CD1-CG2 3.81Å; L71-L134 HydrophobicContact CB-CB 4.36Å; L71-L134 HydrophobicContact CD2-CD1 4.43Å; L71-L134 PolarHBondContact N-O 3.12Å; L71-L134 PolarHBondContact O-N 2.87Å
72	Q	86.4	Confident	85.5	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	102.5	174.7	-72.5	176.1	-33.8	0	0	109.5	L122 R123 V124 T133	Q72-L122 PolarHBondContact N-O 3.27Å; Q72-R123 HydrophobicContact CB-CG 4Å; Q72-R123 WeakPolarHBondContact O-CA 3.22Å; Q72-R123 VanDerWaalsContact OE1-CZ 3.29Å; Q72-V124 PolarHBondContact O-N 3.23Å; Q72-T133 HydrophobicContact CG-CG2 3.99Å
73	L	84.5	Confident	86.4	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.7	172.4	-55.3	-171.8	0	0	0	109.9	F51 V52 L71 V124 V129 N131 L132 L134	F51-L73 HydrophobicContact CB-CD1 4.31Å; V52-L73 HydrophobicContact CG2-CD1 4.31Å; V52-L73 HydrophobicContact CG2-CD2 3.61Å; L71-L73 HydrophobicContact CD1-CD2 3.87Å; L71-L73 HydrophobicContact CD2-CD2 3.98Å; L71-L73 HydrophobicContact CG-CD2 3.71Å; L71-L73 HydrophobicContact CG-CG 4.28Å; L73-V124 HydrophobicContact CD2-CB 3.96Å; L73-V124 HydrophobicContact CD2-CG2 4.48Å; L73-V129 HydrophobicContact CB-CB 4.27Å; L73-V129 HydrophobicContact CB-CG2 4.1Å; L73-V129 HydrophobicContact CD1-CB 4.39Å; L73-V129 HydrophobicContact CD1-CG1 4.44Å; L73-N131 WeakPolarHBondContact O-CA 3.4Å; L73-L132 HydrophobicContact CB-CB 4.32Å; L73-L132 WeakPolarHBondContact CB-O 3.35Å; L73-L132 HydrophobicContact CD1-CB 4.47Å; L73-L132 PolarHBondContact N-O 3.22Å; L73-L132 PolarHBondContact O-N 3.12Å; L73-L132 VanDerWaalsContact O-N 3.09Å; L73-L134 HydrophobicContact CD1-CD1 4.11Å
74	V	83.4	Confident	87	Confident	28 Å²	28	35.7 Å²	35.7	17%	0.17	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	124.3	-178.2	-175	0	0	0	0	109.9	N76 V124 Y125 S126 V129	V74-N76 PolarHBondContact O-N 3.41Å; V74-V124 PolarHBondContact N-O 3.19Å; V74-Y125 HydrophobicContact CB-CD1 3.67Å; V74-Y125 HydrophobicContact CB-CE1 3.88Å; V74-Y125 HydrophobicContact CG1-CD1 3.77Å; V74-Y125 HydrophobicContact CG1-CE1 3.83Å; V74-Y125 HydrophobicContact CG2-CD1 4.33Å; V74-Y125 HydrophobicContact CG2-CE1 4.09Å; V74-Y125 WeakPolarHBondContact O-CA 3.35Å; V74-S126 PolarHBondContact O-N 3.23Å; V74-S126 VanDerWaalsContact O-N 3.15Å; V74-V129 WeakPolarHBondContact O-CG2 3.44Å
75	N	82.5	Confident	87.3	Confident	84 Å²	84	36.8 Å²	36.8	45%	0.449	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	123.5	174.3	-167.5	-82.2	0	0	0	110.1	S126 P127 V129 N131	N75-S126 WeakPolarHBondContact CA-O 3.47Å; N75-P127 PolarHBondContact ND2-O 2.74Å; N75-V129 WeakPolarHBondContact CB-O 3.29Å; N75-V129 PolarHBondContact ND2-O 3.43Å; N75-N131 PolarHBondContact N-OD1 3.4Å
76	N	84.3	Confident	87.4	Confident	54 Å²	54	37.3 Å²	37.3	29%	0.289	19%	0.188	S	C	.	.			trans	-149.6	151.5	-179	-164	-29.7	0	0	0	110.1	V74 A78 Y125 S126 P127	V74-N76 PolarHBondContact O-N 3.41Å; N76-A78 VanDerWaalsContact C-N 3.26Å; N76-A78 PolarHBondContact O-N 2.93Å; N76-A78 PolarHBondContact OD1-N 3.5Å; N76-Y125 HydrophobicContact CB-CD1 4.12Å; N76-Y125 HydrophobicContact CB-CG 4.49Å; N76-S126 PolarHBondContact N-O 3.23Å; N76-S126 VanDerWaalsContact N-O 3.1Å; N76-S126 CarbonylContact O-C 3.56Å; N76-P127 WeakPolarHBondContact O-CA 3.33Å; N76-P127 WeakPolarHBondContact O-CB 3.42Å; N76-P127 VanDerWaalsContact O-CD 3.27Å; N76-P127 WeakPolarHBondContact O-CD 3.43Å
77	K	84.9	Confident	87	Confident	204 Å²	204	42.9 Å²	42.9	89%	0.887	21%	0.214	S	C	*	.	S	Bend	trans	-67.6	-27.7	174.7	-63.2	-175.9	-178.2	-179.9	0	112.9
78	A	87.1	Confident	86.6	Confident	49 Å²	49	45.4 Å²	45.4	41%	0.405	24%	0.242	S	C	.	.	S	Bend	trans	-95.6	137.9	175	0	0	0	0	0	110.7	N76 Y80 Y125	N76-A78 VanDerWaalsContact C-N 3.26Å; N76-A78 PolarHBondContact O-N 2.93Å; N76-A78 PolarHBondContact OD1-N 3.5Å; A78-Y80 HydrophobicContact CB-CD1 4.07Å; A78-Y80 HydrophobicContact CB-CE1 4.22Å; A78-Y125 CarbonylContact O-C 3.57Å
79	E	89.8	Confident	86.7	Confident	49 Å²	49	50.6 Å²	50.6	23%	0.229	26%	0.262	C	S	.	.			trans	-98.5	115	174.6	-171.1	165.3	-122.3	0	0	110.1	R54 F94 Y125 S126	R54-E79 IonicContact CZ-OE2 3.34Å; R54-E79 IonicContact NE-OE1 3.51Å; R54-E79 IonicContact NE-OE2 2.99Å; R54-E79 PolarHBondContact NE-OE2 3.41Å; R54-E79 IonicContact NH2-OE2 2.77Å; R54-E79 PolarHBondContact NH2-OE2 3.11Å; E79-F94 HydrophobicContact CG-CE2 4.06Å; E79-F94 HydrophobicContact CG-CZ 4.22Å; E79-Y125 CarbonylContact C-O 3.55Å; E79-Y125 VanDerWaalsContact CA-O 3.25Å; E79-Y125 WeakPolarHBondContact CA-O 3.49Å; E79-S126 PolarHBondContact OE1-OG 3.41Å
80	Y	92.9	Very high	86.7	Confident	30 Å²	30	56.1 Å²	56.1	12%	0.118	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	165	176.8	70	-83	0	0	0	110.9	A78 K90 F91 Y125	A78-Y80 HydrophobicContact CB-CD1 4.07Å; A78-Y80 HydrophobicContact CB-CE1 4.22Å; Y80-K90 HydrophobicContact CD2-CB 3.91Å; Y80-K90 HydrophobicContact CD2-CD 3.75Å; Y80-K90 HydrophobicContact CD2-CG 3.76Å; Y80-K90 HydrophobicContact CE2-CD 3.65Å; Y80-K90 HydrophobicContact CE2-CG 3.87Å; Y80-K90 HydrophobicContact CG-CD 4.33Å; Y80-F91 CarbonylContact C-O 3.49Å; Y80-F91 WeakPolarHBondContact CA-O 3.44Å; Y80-F91 WeakPolarHBondContact CB-O 3.49Å; Y80-Y125 HydrophobicContact CD1-CD2 4.31Å; Y80-Y125 HydrophobicContact CD1-CG 4.33Å; Y80-Y125 AromaticContact CD2-CD2 3.79Å; Y80-Y125 HydrophobicContact CD2-CD2 3.79Å; Y80-Y125 HydrophobicContact CD2-CE2 4.41Å; Y80-Y125 AromaticContact CE1-CD2 3.85Å; Y80-Y125 HydrophobicContact CE1-CD2 3.85Å; Y80-Y125 AromaticContact CE1-CG 3.78Å; Y80-Y125 HydrophobicContact CE1-CG 3.78Å; Y80-Y125 AromaticContact CE2-CD2 3.25Å; Y80-Y125 HydrophobicContact CE2-CD2 3.25Å; Y80-Y125 AromaticContact CE2-CE2 3.56Å; Y80-Y125 HydrophobicContact CE2-CE2 3.56Å; Y80-Y125 HydrophobicContact CE2-CG 4.06Å; Y80-Y125 HydrophobicContact CG-CD2 4.29Å; Y80-Y125 AromaticContact CZ-CD2 3.29Å; Y80-Y125 AromaticContact CZ-CE2 3.7Å; Y80-Y125 AromaticContact CZ-CG 3.62Å; Y80-Y125 PolarHBondContact N-O 3.02Å; Y80-Y125 WeakPolarHBondContact O-CB 3.38Å; Y80-Y125 PolarHBondContact O-N 3.34Å; Y80-Y125 VanDerWaalsContact O-O 3.13Å
81	A	92.8	Very high	87	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	158.6	173.7	0	0	0	0	0	112.8	K90 F91 F94 V97 L122 R123 V124	A81-K90 WeakPolarHBondContact O-CA 3.29Å; A81-F91 HydrophobicContact CB-CB 4.28Å; A81-F91 PolarHBondContact N-O 3.48Å; A81-F91 PolarHBondContact O-N 3.35Å; A81-F94 HydrophobicContact CB-CE1 4.45Å; A81-V97 HydrophobicContact CB-CG2 3.73Å; A81-L122 HydrophobicContact CB-CD1 4.01Å; A81-R123 CarbonylContact C-O 3.53Å; A81-R123 WeakPolarHBondContact CA-O 3.31Å; A81-R123 VanDerWaalsContact CB-O 3.31Å; A81-R123 WeakPolarHBondContact CB-O 3.43Å; A81-V124 HydrophobicContact CB-CG2 4.29Å
82	E	92.1	Very high	87.1	Confident	39 Å²	39	60 Å²	60	18%	0.182	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	137.8	177.4	-178	169.2	-174.2	0	0	110.4	G88 R123	E82-G88 PolarHBondContact OE1-N 3.35Å; E82-R123 PolarHBondContact N-O 3.23Å; E82-R123 PolarHBondContact O-N 2.91Å
83	F	89.7	Confident	87.4	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.009	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	145.7	178.5	-69.7	-93.4	0	0	0	111.9	H85 C86 K87 F91 V97 E100 I101 I120 N121 L122	F83-H85 AromaticContact CD1-CE1 3.53Å; F83-H85 AromaticContact CG-CE1 3.65Å; F83-H85 PolarHBondContact O-N 2.88Å; F83-C86 HydrophobicContact CB-CB 4.33Å; F83-C86 CarbonylContact O-C 3.13Å; F83-C86 PolarHBondContact O-N 2.84Å; F83-K87 PolarHBondContact O-N 3.05Å; F83-F91 HydrophobicContact CD2-CD2 4.03Å; F83-F91 HydrophobicContact CD2-CE1 4.42Å; F83-F91 AromaticContact CD2-CE2 3.58Å; F83-F91 HydrophobicContact CD2-CE2 3.58Å; F83-F91 AromaticContact CD2-CZ 3.77Å; F83-F91 HydrophobicContact CD2-CZ 3.77Å; F83-F91 HydrophobicContact CE2-CD1 4.43Å; F83-F91 HydrophobicContact CE2-CD2 4.3Å; F83-F91 HydrophobicContact CE2-CE1 4.16Å; F83-F91 HydrophobicContact CE2-CE2 4.07Å; F83-F91 HydrophobicContact CE2-CG 4.49Å; F83-F91 AromaticContact CE2-CZ 3.98Å; F83-F91 HydrophobicContact CE2-CZ 3.98Å; F83-V97 HydrophobicContact CE2-CG1 4.17Å; F83-V97 HydrophobicContact CZ-CG1 3.84Å; F83-E100 HydrophobicContact CD2-CG 3.83Å; F83-E100 HydrophobicContact CE1-CG 4.38Å; F83-E100 HydrophobicContact CE2-CB 3.84Å; F83-E100 HydrophobicContact CE2-CG 3.49Å; F83-E100 VanDerWaalsContact CE2-CG 3.49Å; F83-E100 HydrophobicContact CG-CG 4.4Å; F83-E100 HydrophobicContact CZ-CB 3.95Å; F83-E100 HydrophobicContact CZ-CG 3.78Å; F83-I101 HydrophobicContact CE1-CG1 3.81Å; F83-I101 HydrophobicContact CZ-CG1 3.84Å; F83-I120 HydrophobicContact CD1-CG2 3.97Å; F83-I120 HydrophobicContact CE1-CG2 4.02Å; F83-N121 WeakPolarHBondContact CA-O 3.47Å; F83-L122 HydrophobicContact CD1-CB 4.13Å; F83-L122 HydrophobicContact CD1-CD1 3.98Å; F83-L122 HydrophobicContact CD2-CD1 4.16Å; F83-L122 HydrophobicContact CE1-CB 4.06Å; F83-L122 HydrophobicContact CE1-CD1 3.76Å; F83-L122 HydrophobicContact CE1-CD2 4.22Å; F83-L122 HydrophobicContact CE1-CG 4.23Å; F83-L122 HydrophobicContact CE2-CD1 3.93Å; F83-L122 HydrophobicContact CG-CD1 4.19Å; F83-L122 HydrophobicContact CZ-CD1 3.75Å; F83-L122 HydrophobicContact CZ-CD2 4.34Å
84	L	83.6	Confident	87.6	Confident	65 Å²	65	64.4 Å²	64.4	34%	0.34	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.9	178.3	-169.2	70.3	0	0	0	113.2	K87 N121	L84-K87 WeakPolarHBondContact O-CE 3.33Å; L84-K87 WeakPolarHBondContact O-CG 3.35Å; L84-N121 HydrophobicContact CB-CB 3.6Å; L84-N121 HydrophobicContact CD2-CB 3.9Å; L84-N121 HydrophobicContact CG-CB 4.37Å; L84-N121 PolarHBondContact N-O 2.92Å
85	H	82.2	Confident	87.9	Confident	68 Å²	68	66.2 Å²	66.2	32%	0.315	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-9	175.9	67.5	-81.9	0	0	0	114	F83 E100 E104	F83-H85 AromaticContact CD1-CE1 3.53Å; F83-H85 AromaticContact CG-CE1 3.65Å; F83-H85 PolarHBondContact O-N 2.88Å; H85-E100 IonicContact CD2-OE1 3.68Å; H85-E100 IonicContact CE1-OE1 3.52Å; H85-E100 IonicContact NE2-OE1 3.36Å; H85-E100 PolarHBondContact NE2-OE1 3.19Å; H85-E104 IonicContact CD2-OE2 2.63Å
86	C	85.5	Confident	88.4	Confident	31 Å²	31	65.8 Å²	65.8	21%	0.209	34%	0.337	C	S	.	.	S	Bend	trans	-127.4	42.6	178	-65.1	0	0	0	0	112.3	F83 G88 R89 F91	F83-C86 HydrophobicContact CB-CB 4.33Å; F83-C86 CarbonylContact O-C 3.13Å; F83-C86 PolarHBondContact O-N 2.84Å; C86-G88 PolarHBondContact O-N 3.13Å; C86-R89 HydrophobicContact CB-CB 4.34Å; C86-R89 WeakPolarHBondContact O-CB 3.47Å; C86-R89 PolarHBondContact O-N 3.38Å; C86-F91 HydrophobicContact CB-CE2 4.37Å
87	K	78.3	Confident	88.8	Confident	150 Å²	150	63.2 Å²	63.2	65%	0.652	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	130.6	-178.2	-60.9	-174.2	-179.4	179.8	0	111.9	F83 L84	F83-K87 PolarHBondContact O-N 3.05Å; L84-K87 WeakPolarHBondContact O-CE 3.33Å; L84-K87 WeakPolarHBondContact O-CG 3.35Å
88	G	80.5	Confident	89.1	Confident	62 Å²	62	55.7 Å²	55.7	64%	0.639	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	-20	-177.5	0	0	0	0	0	115.3	E82 C86 K90	E82-G88 PolarHBondContact OE1-N 3.35Å; C86-G88 PolarHBondContact O-N 3.13Å; G88-K90 PolarHBondContact O-N 3.2Å
89	R	91.1	Very high	89.3	Confident	110 Å²	110	58.7 Å²	58.7	42%	0.415	30%	0.297	S	S	.	.			trans	-80.7	115.2	170.1	-177.3	177.9	171.7	-157.8	-2.7	109.2	C86 F91 E96 E100	C86-R89 HydrophobicContact CB-CB 4.34Å; C86-R89 WeakPolarHBondContact O-CB 3.47Å; C86-R89 PolarHBondContact O-N 3.38Å; R89-F91 HydrophobicContact CB-CE2 4.06Å; R89-F91 HydrophobicContact CG-CD2 4.08Å; R89-F91 HydrophobicContact CG-CE2 3.66Å; R89-F91 HydrophobicContact CG-CZ 4.09Å; R89-F91 VanDerWaalsContact NH1-CZ 3.35Å; R89-F91 WeakPolarHBondContact O-CD2 3.3Å; R89-E96 IonicContact CZ-OE2 3.59Å; R89-E96 IonicContact NH2-OE2 3.59Å; R89-E96 PolarHBondContact NH2-OE2 2.86Å; R89-E100 IonicContact NH1-OE2 3.05Å; R89-E100 PolarHBondContact NH1-OE2 3.41Å
90	K	92.5	Very high	89.5	Confident	122 Å²	122	58 Å²	58	53%	0.53	29%	0.293	S	S	.	.			trans	-94.5	119.5	172.7	-62.6	-172	179.5	-168.9	0	109.9	Y80 A81 G88	Y80-K90 HydrophobicContact CD2-CB 3.91Å; Y80-K90 HydrophobicContact CD2-CD 3.75Å; Y80-K90 HydrophobicContact CD2-CG 3.76Å; Y80-K90 HydrophobicContact CE2-CD 3.65Å; Y80-K90 HydrophobicContact CE2-CG 3.87Å; Y80-K90 HydrophobicContact CG-CD 4.33Å; A81-K90 WeakPolarHBondContact O-CA 3.29Å; G88-K90 PolarHBondContact O-N 3.2Å
91	F	93.4	Very high	89.5	Confident	1 Å²	1	56.9 Å²	56.9	0%	0.004	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-90.4	121.2	176.6	-63.9	-110.6	0	0	0	108	Y80 A81 F83 C86 R89 E96 V97 E100	Y80-F91 CarbonylContact C-O 3.49Å; Y80-F91 WeakPolarHBondContact CA-O 3.44Å; Y80-F91 WeakPolarHBondContact CB-O 3.49Å; A81-F91 HydrophobicContact CB-CB 4.28Å; A81-F91 PolarHBondContact N-O 3.48Å; A81-F91 PolarHBondContact O-N 3.35Å; F83-F91 HydrophobicContact CD2-CD2 4.03Å; F83-F91 HydrophobicContact CD2-CE1 4.42Å; F83-F91 AromaticContact CD2-CE2 3.58Å; F83-F91 HydrophobicContact CD2-CE2 3.58Å; F83-F91 AromaticContact CD2-CZ 3.77Å; F83-F91 HydrophobicContact CD2-CZ 3.77Å; F83-F91 HydrophobicContact CE2-CD1 4.43Å; F83-F91 HydrophobicContact CE2-CD2 4.3Å; F83-F91 HydrophobicContact CE2-CE1 4.16Å; F83-F91 HydrophobicContact CE2-CE2 4.07Å; F83-F91 HydrophobicContact CE2-CG 4.49Å; F83-F91 AromaticContact CE2-CZ 3.98Å; F83-F91 HydrophobicContact CE2-CZ 3.98Å; C86-F91 HydrophobicContact CB-CE2 4.37Å; R89-F91 HydrophobicContact CB-CE2 4.06Å; R89-F91 HydrophobicContact CG-CD2 4.08Å; R89-F91 HydrophobicContact CG-CE2 3.66Å; R89-F91 HydrophobicContact CG-CZ 4.09Å; R89-F91 VanDerWaalsContact NH1-CZ 3.35Å; R89-F91 WeakPolarHBondContact O-CD2 3.3Å; F91-E96 HydrophobicContact CD1-CB 3.93Å; F91-V97 HydrophobicContact CB-CG2 3.62Å; F91-V97 HydrophobicContact CD1-CG2 4.27Å; F91-V97 HydrophobicContact CG-CG2 4.16Å; F91-E100 HydrophobicContact CE1-CB 3.93Å; F91-E100 HydrophobicContact CE1-CG 3.93Å; F91-E100 HydrophobicContact CZ-CB 4.34Å; F91-E100 HydrophobicContact CZ-CG 3.82Å
92	V	92.2	Very high	89.4	Confident	108 Å²	108	60.1 Å²	60.1	66%	0.655	31%	0.305	S	S	*	.			trans	-103.8	-30.2	178.7	-173.9	0	0	0	0	110.9
93	D	91.1	Very high	89.3	Confident	83 Å²	83	61.1 Å²	61.1	44%	0.444	32%	0.319	S	S	.	.			trans	-85	132.5	166.9	-163.1	-17.8	0	0	0	110.3	D95 E96 V97	D93-D95 WeakPolarHBondContact OD1-CB 3.38Å; D93-D95 PolarHBondContact OD1-N 3Å; D93-E96 HydrophobicContact CB-CB 4.41Å; D93-E96 HydrophobicContact CB-CG 4.27Å; D93-V97 PolarHBondContact O-N 2.71Å
94	F	89.2	Confident	89.4	Confident	13 Å²	13	61.6 Å²	61.6	6%	0.057	32%	0.322	C	S	.	.	H	α-helix	trans	-86.9	-14.1	176.8	-74.1	-94.3	0	0	0	112.7	V52 R54 F56 E79 A81 V97 R98 V124	V52-F94 HydrophobicContact CG1-CE1 4.35Å; R54-F94 HydrophobicContact CB-CB 4.35Å; R54-F94 HydrophobicContact CB-CD1 4.02Å; R54-F94 HydrophobicContact CB-CD2 4.25Å; R54-F94 HydrophobicContact CB-CE1 4.37Å; R54-F94 HydrophobicContact CB-CG 3.94Å; R54-F94 HydrophobicContact CG-CD1 4.32Å; R54-F94 HydrophobicContact CG-CD2 3.87Å; R54-F94 HydrophobicContact CG-CE1 4.31Å; R54-F94 HydrophobicContact CG-CE2 3.88Å; R54-F94 HydrophobicContact CG-CG 4.09Å; R54-F94 HydrophobicContact CG-CZ 4.1Å; F56-F94 HydrophobicContact CB-CB 4.04Å; F56-F94 HydrophobicContact CB-CD1 3.75Å; F56-F94 HydrophobicContact CB-CG 4.38Å; F56-F94 HydrophobicContact CG-CD1 4.31Å; E79-F94 HydrophobicContact CG-CE2 4.06Å; E79-F94 HydrophobicContact CG-CZ 4.22Å; A81-F94 HydrophobicContact CB-CE1 4.45Å; F94-V97 HydrophobicContact CD1-CG2 4.28Å; F94-V97 PolarHBondContact O-N 3.13Å; F94-R98 PolarHBondContact O-N 3Å; F94-R98 VanDerWaalsContact O-N 3.08Å; F94-V124 HydrophobicContact CE1-CG1 3.77Å; F94-V124 HydrophobicContact CE1-CG2 4.35Å; F94-V124 HydrophobicContact CZ-CG1 3.94Å
95	D	89.6	Confident	89.6	Confident	67 Å²	67	58.9 Å²	58.9	36%	0.358	31%	0.308	S	S	.	.	H	α-helix	trans	-68.5	-36.6	165.1	-75.2	-23.4	0	0	0	110.5	D93 R98 M99	D93-D95 WeakPolarHBondContact OD1-CB 3.38Å; D93-D95 PolarHBondContact OD1-N 3Å; D95-R98 PolarHBondContact O-N 2.75Å; D95-R98 IonicContact OD1-CZ 2.71Å; D95-R98 IonicContact OD1-NH1 2.71Å; D95-R98 PolarHBondContact OD1-NH1 2.96Å; D95-R98 IonicContact OD1-NH2 2.69Å; D95-R98 PolarHBondContact OD1-NH2 2.74Å; D95-M99 WeakPolarHBondContact O-CG 3.46Å; D95-M99 PolarHBondContact O-N 3.07Å; D95-M99 VanDerWaalsContact O-N 3.13Å
96	E	92.6	Very high	89.9	Confident	74 Å²	74	58.4 Å²	58.4	35%	0.346	31%	0.308	S	S	.	.	H	α-helix	trans	-62.5	-42.4	168.5	-76.9	-171.7	-139.5	0	0	112.2	R89 F91 D93 R98 M99 E100	R89-E96 IonicContact CZ-OE2 3.59Å; R89-E96 IonicContact NH2-OE2 3.59Å; R89-E96 PolarHBondContact NH2-OE2 2.86Å; F91-E96 HydrophobicContact CD1-CB 3.93Å; D93-E96 HydrophobicContact CB-CB 4.41Å; D93-E96 HydrophobicContact CB-CG 4.27Å; E96-R98 VanDerWaalsContact C-N 3.26Å; E96-R98 PolarHBondContact O-N 3.19Å; E96-M99 HydrophobicContact CG-CE 4.35Å; E96-M99 PolarHBondContact O-N 2.92Å; E96-E100 WeakPolarHBondContact O-CB 3.31Å; E96-E100 PolarHBondContact O-N 3.44Å
97	V	93.8	Very high	90.1	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.8	-39.7	176.9	176	0	0	0	0	111	F56 A81 F83 F91 D93 F94 I101 L122	F56-V97 HydrophobicContact CB-CG1 4.25Å; F56-V97 HydrophobicContact CD2-CG1 4.12Å; A81-V97 HydrophobicContact CB-CG2 3.73Å; F83-V97 HydrophobicContact CE2-CG1 4.17Å; F83-V97 HydrophobicContact CZ-CG1 3.84Å; F91-V97 HydrophobicContact CB-CG2 3.62Å; F91-V97 HydrophobicContact CD1-CG2 4.27Å; F91-V97 HydrophobicContact CG-CG2 4.16Å; D93-V97 PolarHBondContact O-N 2.71Å; F94-V97 HydrophobicContact CD1-CG2 4.28Å; F94-V97 PolarHBondContact O-N 3.13Å; V97-I101 HydrophobicContact CG1-CD1 4.19Å; V97-I101 WeakPolarHBondContact O-CG1 3.49Å; V97-I101 PolarHBondContact O-N 3.09Å; V97-I101 VanDerWaalsContact O-N 3.08Å; V97-L122 HydrophobicContact CG1-CD1 4.18Å; V97-L122 HydrophobicContact CG1-CD2 3.88Å
98	R	91.9	Very high	90.4	Very high	46 Å²	46	61.7 Å²	61.7	17%	0.174	32%	0.317	C	S	.	.	H	α-helix	trans	-64.4	-50.2	176.5	-165.8	-176.2	-47.9	102.7	12.9	111.9	D55 F56 L57 F94 D95 E96 E100 I101 E102	D55-R98 PolarHBondContact O-NH2 3.47Å; F56-R98 WeakPolarHBondContact O-CA 3.48Å; F56-R98 WeakPolarHBondContact O-CB 3.37Å; L57-R98 VanDerWaalsContact O-CD 3.23Å; L57-R98 WeakPolarHBondContact O-CD 3.39Å; L57-R98 WeakPolarHBondContact O-CG 3.38Å; L57-R98 PolarHBondContact O-NE 3.08Å; F94-R98 PolarHBondContact O-N 3Å; F94-R98 VanDerWaalsContact O-N 3.08Å; D95-R98 PolarHBondContact O-N 2.75Å; D95-R98 IonicContact OD1-CZ 2.71Å; D95-R98 IonicContact OD1-NH1 2.71Å; D95-R98 PolarHBondContact OD1-NH1 2.96Å; D95-R98 IonicContact OD1-NH2 2.69Å; D95-R98 PolarHBondContact OD1-NH2 2.74Å; E96-R98 VanDerWaalsContact C-N 3.26Å; E96-R98 PolarHBondContact O-N 3.19Å; R98-E100 VanDerWaalsContact C-N 3.27Å; R98-E100 PolarHBondContact O-N 2.89Å; R98-I101 PolarHBondContact O-N 3.04Å; R98-I101 VanDerWaalsContact O-N 3.17Å; R98-E102 WeakPolarHBondContact O-CG 3.37Å; R98-E102 PolarHBondContact O-N 3.04Å
99	M	91.1	Very high	90.5	Very high	112 Å²	112	59.8 Å²	59.8	55%	0.552	29%	0.293	S	S	*	.	H	α-helix	trans	-61.5	-35.7	179	-68.1	-175.3	-67.4	0	0	112.1	D95 E96 E102 A103	D95-M99 WeakPolarHBondContact O-CG 3.46Å; D95-M99 PolarHBondContact O-N 3.07Å; D95-M99 VanDerWaalsContact O-N 3.13Å; E96-M99 HydrophobicContact CG-CE 4.35Å; E96-M99 PolarHBondContact O-N 2.92Å; M99-E102 PolarHBondContact O-N 2.97Å; M99-A103 VanDerWaalsContact O-CB 3.31Å; M99-A103 WeakPolarHBondContact O-CB 3.39Å; M99-A103 PolarHBondContact O-N 3.43Å
100	E	94.2	Very high	90	Very high	34 Å²	34	56 Å²	56	16%	0.159	29%	0.288	C	S	.	.	H	α-helix	trans	-67.4	-39.9	174.9	-174.7	69.6	-134.1	0	0	112	F83 H85 R89 F91 E96 R98 E102 E104	F83-E100 HydrophobicContact CD2-CG 3.83Å; F83-E100 HydrophobicContact CE1-CG 4.38Å; F83-E100 HydrophobicContact CE2-CB 3.84Å; F83-E100 HydrophobicContact CE2-CG 3.49Å; F83-E100 VanDerWaalsContact CE2-CG 3.49Å; F83-E100 HydrophobicContact CG-CG 4.4Å; F83-E100 HydrophobicContact CZ-CB 3.95Å; F83-E100 HydrophobicContact CZ-CG 3.78Å; H85-E100 IonicContact CD2-OE1 3.68Å; H85-E100 IonicContact CE1-OE1 3.52Å; H85-E100 IonicContact NE2-OE1 3.36Å; H85-E100 PolarHBondContact NE2-OE1 3.19Å; R89-E100 IonicContact NH1-OE2 3.05Å; R89-E100 PolarHBondContact NH1-OE2 3.41Å; F91-E100 HydrophobicContact CE1-CB 3.93Å; F91-E100 HydrophobicContact CE1-CG 3.93Å; F91-E100 HydrophobicContact CZ-CB 4.34Å; F91-E100 HydrophobicContact CZ-CG 3.82Å; E96-E100 WeakPolarHBondContact O-CB 3.31Å; E96-E100 PolarHBondContact O-N 3.44Å; R98-E100 VanDerWaalsContact C-N 3.27Å; R98-E100 PolarHBondContact O-N 2.89Å; E100-E102 VanDerWaalsContact C-N 3.35Å; E100-E104 WeakPolarHBondContact O-CB 3.25Å; E100-E104 PolarHBondContact O-N 3.47Å
101	I	92.4	Very high	89.1	Confident	8 Å²	8	55 Å²	55	4%	0.041	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-42.4	173.2	-66.8	162	0	0	0	110.9	F56 L57 P58 L69 F83 V97 R98 T105 I120 L122	F56-I101 HydrophobicContact CD2-CD1 4.32Å; L57-I101 HydrophobicContact CD2-CD1 4.29Å; P58-I101 HydrophobicContact CG-CB 4.26Å; P58-I101 HydrophobicContact CG-CG2 3.67Å; L69-I101 HydrophobicContact CD2-CD1 4.21Å; F83-I101 HydrophobicContact CE1-CG1 3.81Å; F83-I101 HydrophobicContact CZ-CG1 3.84Å; V97-I101 HydrophobicContact CG1-CD1 4.19Å; V97-I101 WeakPolarHBondContact O-CG1 3.49Å; V97-I101 PolarHBondContact O-N 3.09Å; V97-I101 VanDerWaalsContact O-N 3.08Å; R98-I101 PolarHBondContact O-N 3.04Å; R98-I101 VanDerWaalsContact O-N 3.17Å; I101-T105 VanDerWaalsContact O-CB 3.23Å; I101-T105 WeakPolarHBondContact O-CB 3.37Å; I101-T105 PolarHBondContact O-N 3.28Å; I101-T105 PolarHBondContact O-OG1 2.88Å; I101-I120 HydrophobicContact CG2-CD1 4.38Å; I101-L122 HydrophobicContact CD1-CD2 4.06Å
102	E	90.6	Very high	87.9	Confident	68 Å²	68	60.5 Å²	60.5	32%	0.318	33%	0.326	S	S	.	.	H	α-helix	trans	-65.2	-51.1	179.3	-68.4	172.4	-177.2	0	0	110.6	P58 R98 M99 E100 E104 T105 D106	P58-E102 WeakPolarHBondContact CA-OE1 3.32Å; P58-E102 HydrophobicContact CB-CG 3.84Å; P58-E102 VanDerWaalsContact CB-OE1 3.29Å; P58-E102 WeakPolarHBondContact CB-OE1 3.39Å; P58-E102 HydrophobicContact CG-CG 3.72Å; R98-E102 WeakPolarHBondContact O-CG 3.37Å; R98-E102 PolarHBondContact O-N 3.04Å; M99-E102 PolarHBondContact O-N 2.97Å; E100-E102 VanDerWaalsContact C-N 3.35Å; E102-E104 PolarHBondContact O-N 3.27Å; E102-T105 WeakPolarHBondContact O-CB 3.49Å; E102-T105 PolarHBondContact O-N 3.46Å; E102-T105 VanDerWaalsContact O-N 3.14Å; E102-D106 PolarHBondContact O-N 2.89Å
103	A	90.3	Very high	86.9	Confident	59 Å²	59	59.4 Å²	59.4	49%	0.488	31%	0.313	S	S	.	.	H	α-helix	trans	-61.8	-44.1	178	0	0	0	0	0	113.2	M99 T105 D106 R107	M99-A103 VanDerWaalsContact O-CB 3.31Å; M99-A103 WeakPolarHBondContact O-CB 3.39Å; M99-A103 PolarHBondContact O-N 3.43Å; A103-T105 VanDerWaalsContact C-N 3.27Å; A103-T105 PolarHBondContact O-N 3.37Å; A103-D106 PolarHBondContact O-N 3.46Å; A103-R107 VanDerWaalsContact O-CB 3.31Å; A103-R107 WeakPolarHBondContact O-CB 3.48Å; A103-R107 PolarHBondContact O-N 3.05Å
104	E	90.3	Very high	86.3	Confident	12 Å²	12	56.4 Å²	56.4	6%	0.056	30%	0.301	C	S	.	.	H	α-helix	trans	-66.4	-29.9	175.7	174.3	53	-159.1	0	0	112	R67 H85 E100 E102 R107 I120	R67-E104 IonicContact CZ-OE1 2.74Å; R67-E104 VanDerWaalsContact NH1-CD 3.32Å; R67-E104 PolarHBondContact NH1-O 3.48Å; R67-E104 IonicContact NH1-OE1 3.96Å; R67-E104 PolarHBondContact NH1-OE1 2.66Å; R67-E104 IonicContact NH2-OE1 3.17Å; R67-E104 PolarHBondContact NH2-OE1 2.98Å; H85-E104 IonicContact CD2-OE2 2.63Å; E100-E104 WeakPolarHBondContact O-CB 3.25Å; E100-E104 PolarHBondContact O-N 3.47Å; E102-E104 PolarHBondContact O-N 3.27Å; E104-R107 VanDerWaalsContact CD-NH2 3.29Å; E104-R107 IonicContact OE1-NH2 3.8Å; E104-R107 PolarHBondContact OE1-NH2 3.04Å; E104-R107 VanDerWaalsContact OE1-NH2 3.15Å; E104-R107 IonicContact OE2-CZ 3.47Å; E104-R107 IonicContact OE2-NE 2.76Å; E104-R107 PolarHBondContact OE2-NE 3.46Å; E104-R107 IonicContact OE2-NH2 2.63Å; E104-R107 PolarHBondContact OE2-NH2 3.47Å; E104-I120 HydrophobicContact CB-CD1 4.24Å; E104-I120 HydrophobicContact CG-CD1 3.79Å; E104-I120 HydrophobicContact CG-CG1 3.92Å; E104-I120 HydrophobicContact CG-CG2 4.48Å
105	T	89.7	Confident	86.2	Confident	8 Å²	8	56.9 Å²	56.9	5%	0.049	30%	0.304	C	S	.	.	H	α-helix	trans	-69.5	-50.8	173.3	-63.5	0	0	0	0	111.3	R66 R67 I101 E102 A103 R107 I108 T109	R66-T105 HydrophobicContact CB-CG2 3.74Å; R67-T105 HydrophobicContact CG-CG2 4.41Å; I101-T105 VanDerWaalsContact O-CB 3.23Å; I101-T105 WeakPolarHBondContact O-CB 3.37Å; I101-T105 PolarHBondContact O-N 3.28Å; I101-T105 PolarHBondContact O-OG1 2.88Å; E102-T105 WeakPolarHBondContact O-CB 3.49Å; E102-T105 PolarHBondContact O-N 3.46Å; E102-T105 VanDerWaalsContact O-N 3.14Å; A103-T105 VanDerWaalsContact C-N 3.27Å; A103-T105 PolarHBondContact O-N 3.37Å; T105-R107 VanDerWaalsContact C-N 3.31Å; T105-R107 PolarHBondContact O-N 2.95Å; T105-I108 PolarHBondContact O-N 3.2Å; T105-T109 HydrophobicContact CG2-CG2 4.5Å; T105-T109 PolarHBondContact O-N 3.08Å; T105-T109 PolarHBondContact O-OG1 3.17Å
106	D	88.6	Confident	85.9	Confident	59 Å²	59	54.5 Å²	54.5	32%	0.316	29%	0.292	S	S	.	.	H	α-helix	trans	-66.7	-30.8	-179.9	-74	-40.1	0	0	0	112.6	R66 E102 A103 I108 G110	R66-D106 IonicContact CZ-OD1 3.25Å; R66-D106 IonicContact NH1-OD1 3.66Å; R66-D106 PolarHBondContact NH1-OD1 3.17Å; R66-D106 IonicContact NH2-OD1 2.68Å; R66-D106 PolarHBondContact NH2-OD1 3.26Å; R66-D106 IonicContact NH2-OD2 3.27Å; R66-D106 PolarHBondContact NH2-OD2 3.28Å; E102-D106 PolarHBondContact O-N 2.89Å; A103-D106 PolarHBondContact O-N 3.46Å; D106-I108 PolarHBondContact O-N 2.95Å; D106-G110 VanDerWaalsContact O-CA 3.22Å; D106-G110 WeakPolarHBondContact O-CA 3.4Å; D106-G110 PolarHBondContact O-N 3.25Å
107	R	88.4	Confident	85.3	Confident	167 Å²	167	53.9 Å²	53.9	63%	0.63	30%	0.295	S	S	*	.	H	α-helix	trans	-57.7	-29.1	173.2	-172.5	173.9	73.7	124.9	2.2	113.7	A103 E104 T105	A103-R107 VanDerWaalsContact O-CB 3.31Å; A103-R107 WeakPolarHBondContact O-CB 3.48Å; A103-R107 PolarHBondContact O-N 3.05Å; E104-R107 VanDerWaalsContact CD-NH2 3.29Å; E104-R107 IonicContact OE1-NH2 3.8Å; E104-R107 PolarHBondContact OE1-NH2 3.04Å; E104-R107 VanDerWaalsContact OE1-NH2 3.15Å; E104-R107 IonicContact OE2-CZ 3.47Å; E104-R107 IonicContact OE2-NE 2.76Å; E104-R107 PolarHBondContact OE2-NE 3.46Å; E104-R107 IonicContact OE2-NH2 2.63Å; E104-R107 PolarHBondContact OE2-NH2 3.47Å; T105-R107 VanDerWaalsContact C-N 3.31Å; T105-R107 PolarHBondContact O-N 2.95Å
108	I	85.2	Confident	84.7	Confident	82 Å²	82	57.8 Å²	57.8	42%	0.421	32%	0.318	S	S	.	.	H	α-helix	trans	-109.1	-35.3	-176.7	-62.2	-57.5	0	0	0	112.9	R67 T105 D106	R67-I108 VanDerWaalsContact NH1-CG1 3.28Å; T105-I108 PolarHBondContact O-N 3.2Å; D106-I108 PolarHBondContact O-N 2.95Å
109	T	82.9	Confident	84.3	Confident	23 Å²	23	57.6 Å²	57.6	14%	0.141	32%	0.323	C	S	.	.	H	α-helix	trans	-95.3	-13.9	-178.5	59.5	0	0	0	0	114	R66 R67 T105 G114	R66-T109 PolarHBondContact NH1-OG1 3.45Å; R67-T109 HydrophobicContact CG-CG2 4.06Å; T105-T109 HydrophobicContact CG2-CG2 4.5Å; T105-T109 PolarHBondContact O-N 3.08Å; T105-T109 PolarHBondContact O-OG1 3.17Å; T109-G114 WeakPolarHBondContact CB-O 3.41Å
110	G	79.9	Confident	84.2	Confident	31 Å²	31	52.5 Å²	52.5	32%	0.32	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	171.9	-167.2	0	0	0	0	0	112.9	R66 D106 N112	R66-G110 PolarHBondContact NH1-O 3.32Å; D106-G110 VanDerWaalsContact O-CA 3.22Å; D106-G110 WeakPolarHBondContact O-CA 3.4Å; D106-G110 PolarHBondContact O-N 3.25Å; G110-N112 PolarHBondContact O-N 3.02Å
111	S	73.5	Confident	83.9	Confident	101 Å²	101	52.7 Å²	52.7	71%	0.706	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-14	-179	-43.6	0	0	0	0	114.1	K113	S111-K113 PolarHBondContact O-N 3.04Å
112	N	69.1	Low	83.7	Confident	115 Å²	115	52.3 Å²	52.3	62%	0.615	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	26.2	-170.3	-62.7	12.4	0	0	0	113.9	G110 G114	G110-N112 PolarHBondContact O-N 3.02Å; N112-G114 PolarHBondContact O-N 3.13Å
113	K	71	Confident	83.7	Confident	86 Å²	86	51.5 Å²	51.5	37%	0.374	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	16.6	177.3	-56.1	175.9	-176.8	166.4	0	115.9	S111 Q148	S111-K113 PolarHBondContact O-N 3.04Å; K113-Q148 HydrophobicContact CB-CG 4.03Å
114	G	79.1	Confident	83.7	Confident	19 Å²	19	48.7 Å²	48.7	20%	0.196	27%	0.269	C	S	.	.			trans	-64.4	166.5	174.7	0	0	0	0	0	112.4	R66 T109 N112	R66-G114 WeakPolarHBondContact CD-O 3.35Å; T109-G114 WeakPolarHBondContact CB-O 3.41Å; N112-G114 PolarHBondContact O-N 3.13Å
115	I	86.1	Confident	83.6	Confident	24 Å²	24	49.8 Å²	49.8	12%	0.123	27%	0.273	C	S	.	.			trans	-116.2	160.5	176.8	67.3	177.4	0	0	0	110.7	R66 I152 Q155 I156 M159	R66-I115 HydrophobicContact CB-CG2 4.29Å; R66-I115 HydrophobicContact CG-CG2 4.44Å; R66-I115 VanDerWaalsContact O-CA 3.22Å; R66-I115 WeakPolarHBondContact O-CA 3.34Å; R66-I115 VanDerWaalsContact O-CB 3.29Å; R66-I115 WeakPolarHBondContact O-CB 3.39Å; I115-I152 HydrophobicContact CD1-CD1 3.75Å; I115-I152 HydrophobicContact CG1-CD1 3.96Å; I115-I152 HydrophobicContact CG2-CD1 4.05Å; I115-Q155 HydrophobicContact CD1-CB 3.81Å; I115-Q155 HydrophobicContact CG1-CB 4.48Å; I115-I156 HydrophobicContact CD1-CG1 3.6Å; I115-M159 HydrophobicContact CB-CE 4.06Å; I115-M159 HydrophobicContact CD1-CE 3.64Å; I115-M159 HydrophobicContact CG1-CE 3.81Å
116	S	84.4	Confident	83.4	Confident	17 Å²	17	49.4 Å²	49.4	12%	0.119	27%	0.271	C	S	.	.			trans	-144.2	136.8	173.5	172	0	0	0	0	110.9	R66 P68 V118 M159	R66-S116 PolarHBondContact O-N 2.69Å; R66-S116 VanDerWaalsContact O-N 3.12Å; P68-S116 WeakPolarHBondContact CD-O 3.38Å; S116-V118 PolarHBondContact O-N 2.85Å; S116-V118 PolarHBondContact OG-N 3.16Å; S116-M159 VanDerWaalsContact C-CE 3.44Å
117	P	78.6	Confident	83	Confident	61 Å²	61	49.7 Å²	49.7	40%	0.396	28%	0.276	S	S	.	.	S	Bend	trans	-72.5	-10.5	179.2	31.1	-36.2	0	0	0	113	P119 M159	P117-P119 VanDerWaalsContact O-CD 3.3Å; P117-P119 WeakPolarHBondContact O-CD 3.41Å; P117-M159 HydrophobicContact CB-CE 4.2Å; P117-M159 HydrophobicContact CB-CG 4.21Å
118	V	80.6	Confident	82.3	Confident	81 Å²	81	45.9 Å²	45.9	49%	0.491	27%	0.268	S	S	.	.	S	Bend	trans	-69.7	113.9	-179.1	-176.8	0	0	0	0	109.6	R67 S116	R67-V118 PolarHBondContact NE-O 3.28Å; R67-V118 PolarHBondContact NH2-O 2.65Å; R67-V118 VanDerWaalsContact NH2-O 3.13Å; S116-V118 PolarHBondContact O-N 2.85Å; S116-V118 PolarHBondContact OG-N 3.16Å
119	P	84.6	Confident	82	Confident	43 Å²	43	42.1 Å²	42.1	28%	0.279	25%	0.248	S	C	.	.			trans	-69.8	157.2	-173	28.2	-35.4	0	0	0	112.8	R67 P68 I70 P117	R67-P119 PolarHBondContact NH2-O 3.44Å; P68-P119 HydrophobicContact CB-CB 4.18Å; P68-P119 CarbonylContact O-C 3.59Å; P68-P119 WeakPolarHBondContact O-CA 3.4Å; I70-P119 HydrophobicContact CD1-CB 3.66Å; I70-P119 HydrophobicContact CD1-CG 3.94Å; I70-P119 HydrophobicContact CG1-CB 3.95Å; P117-P119 VanDerWaalsContact O-CD 3.3Å; P117-P119 WeakPolarHBondContact O-CD 3.41Å
120	I	88.2	Confident	81.5	Confident	5 Å²	5	44 Å²	44	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	135.1	160.6	-59.5	176	0	0	0	107	R67 P68 L69 I70 F83 I101 E104	R67-I120 HydrophobicContact CB-CD1 4.42Å; R67-I120 HydrophobicContact CB-CG1 4.43Å; R67-I120 VanDerWaalsContact CZ-CG1 3.49Å; P68-I120 PolarHBondContact O-N 2.96Å; L69-I120 HydrophobicContact CD1-CB 3.8Å; L69-I120 HydrophobicContact CD1-CG2 3.74Å; I70-I120 PolarHBondContact N-O 3.18Å; F83-I120 HydrophobicContact CD1-CG2 3.97Å; F83-I120 HydrophobicContact CE1-CG2 4.02Å; I101-I120 HydrophobicContact CG2-CD1 4.38Å; E104-I120 HydrophobicContact CB-CD1 4.24Å; E104-I120 HydrophobicContact CG-CD1 3.79Å; E104-I120 HydrophobicContact CG-CG1 3.92Å; E104-I120 HydrophobicContact CG-CG2 4.48Å
121	N	87.6	Confident	81.2	Confident	37 Å²	37	43.8 Å²	43.8	20%	0.198	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.2	179.8	-78	-84.7	0	0	0	110	I70 F83 L84	I70-N121 WeakPolarHBondContact CB-OD1 3.47Å; F83-N121 WeakPolarHBondContact CA-O 3.47Å; L84-N121 HydrophobicContact CB-CB 3.6Å; L84-N121 HydrophobicContact CD2-CB 3.9Å; L84-N121 HydrophobicContact CG-CB 4.37Å; L84-N121 PolarHBondContact N-O 2.92Å
122	L	90	Very high	81.3	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.6	-174.1	172.1	58.6	0	0	0	110.8	F56 L69 I70 L71 Q72 A81 F83 V97 I101 V124	F56-L122 HydrophobicContact CD2-CD2 4.04Å; F56-L122 HydrophobicContact CE2-CD2 3.89Å; L69-L122 HydrophobicContact CD1-CB 4Å; L69-L122 HydrophobicContact CD1-CD2 4.4Å; I70-L122 PolarHBondContact O-N 3.33Å; L71-L122 HydrophobicContact CD1-CD2 4.07Å; L71-L122 HydrophobicContact CD1-CG 4.14Å; Q72-L122 PolarHBondContact N-O 3.27Å; A81-L122 HydrophobicContact CB-CD1 4.01Å; F83-L122 HydrophobicContact CD1-CB 4.13Å; F83-L122 HydrophobicContact CD1-CD1 3.98Å; F83-L122 HydrophobicContact CD2-CD1 4.16Å; F83-L122 HydrophobicContact CE1-CB 4.06Å; F83-L122 HydrophobicContact CE1-CD1 3.76Å; F83-L122 HydrophobicContact CE1-CD2 4.22Å; F83-L122 HydrophobicContact CE1-CG 4.23Å; F83-L122 HydrophobicContact CE2-CD1 3.93Å; F83-L122 HydrophobicContact CG-CD1 4.19Å; F83-L122 HydrophobicContact CZ-CD1 3.75Å; F83-L122 HydrophobicContact CZ-CD2 4.34Å; V97-L122 HydrophobicContact CG1-CD1 4.18Å; V97-L122 HydrophobicContact CG1-CD2 3.88Å; I101-L122 HydrophobicContact CD1-CD2 4.06Å; L122-V124 HydrophobicContact CD1-CG2 4.47Å; L122-V124 HydrophobicContact CD2-CG2 4.46Å; L122-V124 HydrophobicContact CG-CG2 4.21Å
123	R	89.1	Confident	81.9	Confident	52 Å²	52	33.7 Å²	33.7	20%	0.196	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	135.2	168.9	-72.7	168.9	-166.9	-170.9	1.3	110.1	D18 Q72 A81 E82 Y125	D18-R123 IonicContact OD1-CZ 4Å; D18-R123 IonicContact OD1-NH1 3.97Å; D18-R123 IonicContact OD1-NH2 2.67Å; D18-R123 PolarHBondContact OD1-NH2 3.24Å; D18-R123 IonicContact OD2-CZ 2.66Å; D18-R123 VanDerWaalsContact OD2-CZ 3.32Å; D18-R123 IonicContact OD2-NH1 2.88Å; D18-R123 PolarHBondContact OD2-NH1 3.34Å; D18-R123 IonicContact OD2-NH2 2.95Å; D18-R123 PolarHBondContact OD2-NH2 3.26Å; D18-R123 VanDerWaalsContact OD2-NH2 3.12Å; Q72-R123 HydrophobicContact CB-CG 4Å; Q72-R123 WeakPolarHBondContact O-CA 3.22Å; Q72-R123 VanDerWaalsContact OE1-CZ 3.29Å; A81-R123 CarbonylContact C-O 3.53Å; A81-R123 WeakPolarHBondContact CA-O 3.31Å; A81-R123 VanDerWaalsContact CB-O 3.31Å; A81-R123 WeakPolarHBondContact CB-O 3.43Å; E82-R123 PolarHBondContact N-O 3.23Å; E82-R123 PolarHBondContact O-N 2.91Å; R123-Y125 HydrophobicContact CB-CD2 4.36Å; R123-Y125 HydrophobicContact CB-CE2 3.75Å
124	V	90.3	Very high	82.7	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	113.4	167.7	-177.1	0	0	0	0	108.9	V52 L71 Q72 L73 V74 A81 F94 L122	V52-V124 HydrophobicContact CG1-CG1 3.89Å; L71-V124 HydrophobicContact CD1-CG2 3.81Å; Q72-V124 PolarHBondContact O-N 3.23Å; L73-V124 HydrophobicContact CD2-CB 3.96Å; L73-V124 HydrophobicContact CD2-CG2 4.48Å; V74-V124 PolarHBondContact N-O 3.19Å; A81-V124 HydrophobicContact CB-CG2 4.29Å; F94-V124 HydrophobicContact CE1-CG1 3.77Å; F94-V124 HydrophobicContact CE1-CG2 4.35Å; F94-V124 HydrophobicContact CZ-CG1 3.94Å; L122-V124 HydrophobicContact CD1-CG2 4.47Å; L122-V124 HydrophobicContact CD2-CG2 4.46Å; L122-V124 HydrophobicContact CG-CG2 4.21Å
125	Y	89	Confident	83.1	Confident	35 Å²	35	28.7 Å²	28.7	14%	0.137	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.8	171.3	-60.6	-85.4	0	0	0	107.9	V74 N76 A78 E79 Y80 R123	V74-Y125 HydrophobicContact CB-CD1 3.67Å; V74-Y125 HydrophobicContact CB-CE1 3.88Å; V74-Y125 HydrophobicContact CG1-CD1 3.77Å; V74-Y125 HydrophobicContact CG1-CE1 3.83Å; V74-Y125 HydrophobicContact CG2-CD1 4.33Å; V74-Y125 HydrophobicContact CG2-CE1 4.09Å; V74-Y125 WeakPolarHBondContact O-CA 3.35Å; N76-Y125 HydrophobicContact CB-CD1 4.12Å; N76-Y125 HydrophobicContact CB-CG 4.49Å; A78-Y125 CarbonylContact O-C 3.57Å; E79-Y125 CarbonylContact C-O 3.55Å; E79-Y125 VanDerWaalsContact CA-O 3.25Å; E79-Y125 WeakPolarHBondContact CA-O 3.49Å; Y80-Y125 HydrophobicContact CD1-CD2 4.31Å; Y80-Y125 HydrophobicContact CD1-CG 4.33Å; Y80-Y125 AromaticContact CD2-CD2 3.79Å; Y80-Y125 HydrophobicContact CD2-CD2 3.79Å; Y80-Y125 HydrophobicContact CD2-CE2 4.41Å; Y80-Y125 AromaticContact CE1-CD2 3.85Å; Y80-Y125 HydrophobicContact CE1-CD2 3.85Å; Y80-Y125 AromaticContact CE1-CG 3.78Å; Y80-Y125 HydrophobicContact CE1-CG 3.78Å; Y80-Y125 AromaticContact CE2-CD2 3.25Å; Y80-Y125 HydrophobicContact CE2-CD2 3.25Å; Y80-Y125 AromaticContact CE2-CE2 3.56Å; Y80-Y125 HydrophobicContact CE2-CE2 3.56Å; Y80-Y125 HydrophobicContact CE2-CG 4.06Å; Y80-Y125 HydrophobicContact CG-CD2 4.29Å; Y80-Y125 AromaticContact CZ-CD2 3.29Å; Y80-Y125 AromaticContact CZ-CE2 3.7Å; Y80-Y125 AromaticContact CZ-CG 3.62Å; Y80-Y125 PolarHBondContact N-O 3.02Å; Y80-Y125 WeakPolarHBondContact O-CB 3.38Å; Y80-Y125 PolarHBondContact O-N 3.34Å; Y80-Y125 VanDerWaalsContact O-O 3.13Å; R123-Y125 HydrophobicContact CB-CD2 4.36Å; R123-Y125 HydrophobicContact CB-CE2 3.75Å
126	S	85.4	Confident	83.4	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	150.1	176.1	179	0	0	0	0	110.6	V74 N75 N76 E79 N128	V74-S126 PolarHBondContact O-N 3.23Å; V74-S126 VanDerWaalsContact O-N 3.15Å; N75-S126 WeakPolarHBondContact CA-O 3.47Å; N76-S126 PolarHBondContact N-O 3.23Å; N76-S126 VanDerWaalsContact N-O 3.1Å; N76-S126 CarbonylContact O-C 3.56Å; E79-S126 PolarHBondContact OE1-OG 3.41Å; S126-N128 PolarHBondContact O-N 3.36Å; S126-N128 PolarHBondContact OG-N 2.78Å; S126-N128 PolarHBondContact OG-ND2 2.72Å
127	P	80.5	Confident	83.7	Confident	65 Å²	65	26.8 Å²	26.8	42%	0.422	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-15.9	175.4	28	-34.8	0	0	0	112.5	N75 N76	N75-P127 PolarHBondContact ND2-O 2.74Å; N76-P127 WeakPolarHBondContact O-CA 3.33Å; N76-P127 WeakPolarHBondContact O-CB 3.42Å; N76-P127 VanDerWaalsContact O-CD 3.27Å; N76-P127 WeakPolarHBondContact O-CD 3.43Å
128	N	73.5	Confident	84.2	Confident	87 Å²	87	24 Å²	24	47%	0.465	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-7.8	-173.4	-51	-71.7	0	0	0	113.7	S126	S126-N128 PolarHBondContact O-N 3.36Å; S126-N128 PolarHBondContact OG-N 2.78Å; S126-N128 PolarHBondContact OG-ND2 2.72Å
129	V	77.9	Confident	84.6	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.012	11%	0.111	C	C	.	.	S	Bend	trans	-103.8	149.4	-176.5	-55.3	0	0	0	0	112	L73 V74 N75	L73-V129 HydrophobicContact CB-CB 4.27Å; L73-V129 HydrophobicContact CB-CG2 4.1Å; L73-V129 HydrophobicContact CD1-CB 4.39Å; L73-V129 HydrophobicContact CD1-CG1 4.44Å; V74-V129 WeakPolarHBondContact O-CG2 3.44Å; N75-V129 WeakPolarHBondContact CB-O 3.29Å; N75-V129 PolarHBondContact ND2-O 3.43Å
130	L	73.9	Confident	84.7	Confident	64 Å²	64	19.7 Å²	19.7	34%	0.335	10%	0.104	S	C	.	.	P	Polyproline II helix	trans	-79.9	154.8	161.7	-61.8	-179	0	0	0	109.8	L132 Q278 N282	L130-L132 PolarHBondContact O-N 2.76Å; L130-Q278 HydrophobicContact CD1-CG 4.35Å; L130-N282 HydrophobicContact CB-CB 4.46Å; L130-N282 HydrophobicContact CD1-CB 3.66Å
131	N	72.9	Confident	84.5	Confident	26 Å²	26	20.1 Å²	20.1	14%	0.139	11%	0.107	C	C	.	.	S	Bend	trans	-58.9	121.1	165.8	-63.9	-26.4	0	0	0	108.2	E7 I10 P11 L73 N75 N282	E7-N131 PolarHBondContact O-ND2 2.78Å; E7-N131 VanDerWaalsContact O-ND2 3.12Å; I10-N131 HydrophobicContact CB-CB 3.87Å; I10-N131 HydrophobicContact CD1-CB 4.39Å; I10-N131 WeakPolarHBondContact CD1-O 3.1Å; I10-N131 HydrophobicContact CG2-CB 3.87Å; P11-N131 WeakPolarHBondContact CD-ND2 2.9Å; P11-N131 VanDerWaalsContact CG-ND2 3.34Å; P11-N131 WeakPolarHBondContact CG-ND2 3.47Å; L73-N131 WeakPolarHBondContact O-CA 3.4Å; N75-N131 PolarHBondContact N-OD1 3.4Å; N131-N282 PolarHBondContact O-ND2 3.22Å
132	L	76.3	Confident	84.1	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	137.1	-175.6	-160.1	70	0	0	0	110.7	I34 L73 L130 L134 L281 N282 L285	I34-L132 HydrophobicContact CD1-CD1 3.88Å; I34-L132 HydrophobicContact CD1-CG 4.27Å; L73-L132 HydrophobicContact CB-CB 4.32Å; L73-L132 WeakPolarHBondContact CB-O 3.35Å; L73-L132 HydrophobicContact CD1-CB 4.47Å; L73-L132 PolarHBondContact N-O 3.22Å; L73-L132 PolarHBondContact O-N 3.12Å; L73-L132 VanDerWaalsContact O-N 3.09Å; L130-L132 PolarHBondContact O-N 2.76Å; L132-L134 HydrophobicContact CD2-CD1 3.75Å; L132-L134 HydrophobicContact CD2-CD2 4.33Å; L132-L134 HydrophobicContact CD2-CG 4.03Å; L132-L134 HydrophobicContact CG-CD1 4.33Å; L132-L134 HydrophobicContact CG-CG 4.26Å; L132-L281 HydrophobicContact CD1-CB 4.43Å; L132-L281 HydrophobicContact CD2-CB 4.36Å; L132-N282 HydrophobicContact CD1-CB 4.24Å; L132-L285 HydrophobicContact CD1-CD2 3.82Å
133	T	80.4	Confident	83.6	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.9	175.6	-57.6	0	0	0	0	109.8	N14 I34 I70 Q72	N14-T133 PolarHBondContact OD1-OG1 3.49Å; I34-T133 PolarHBondContact N-O 2.75Å; I70-T133 HydrophobicContact CG2-CG2 4.35Å; Q72-T133 HydrophobicContact CG-CG2 3.99Å
134	L	87.2	Confident	83	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.3	-174	-72.6	152.1	0	0	0	109.7	I34 V36 L48 F51 L71 L73 L132	I34-L134 HydrophobicContact CB-CD2 4.01Å; I34-L134 HydrophobicContact CD1-CD2 4.32Å; I34-L134 HydrophobicContact CG2-CD2 3.94Å; I34-L134 CarbonylContact O-C 3.59Å; I34-L134 WeakPolarHBondContact O-CA 3.12Å; V36-L134 HydrophobicContact CG2-CD2 4.16Å; L48-L134 HydrophobicContact CD2-CB 4.08Å; L48-L134 HydrophobicContact CD2-CD1 3.74Å; L48-L134 HydrophobicContact CD2-CD2 4.12Å; L48-L134 HydrophobicContact CD2-CG 4.21Å; F51-L134 HydrophobicContact CD2-CD1 3.85Å; F51-L134 HydrophobicContact CE2-CD1 4.32Å; F51-L134 HydrophobicContact CE2-CD2 4.43Å; L71-L134 HydrophobicContact CB-CB 4.36Å; L71-L134 HydrophobicContact CD2-CD1 4.43Å; L71-L134 PolarHBondContact N-O 3.12Å; L71-L134 PolarHBondContact O-N 2.87Å; L73-L134 HydrophobicContact CD1-CD1 4.11Å; L132-L134 HydrophobicContact CD2-CD1 3.75Å; L132-L134 HydrophobicContact CD2-CD2 4.33Å; L132-L134 HydrophobicContact CD2-CG 4.03Å; L132-L134 HydrophobicContact CG-CD1 4.33Å; L132-L134 HydrophobicContact CG-CG 4.26Å
135	I	89.3	Confident	82.2	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	110.4	171.7	-48.9	-175.8	0	0	0	108.3	Q33 I34 V36 P68 L69 I70 L137 F163	Q33-I135 HydrophobicContact CB-CD1 4.4Å; Q33-I135 HydrophobicContact CG-CD1 4.18Å; I34-I135 PolarHBondContact O-N 3.38Å; V36-I135 PolarHBondContact N-O 3.45Å; P68-I135 HydrophobicContact CB-CG2 4.33Å; L69-I135 WeakPolarHBondContact O-CA 3.48Å; I70-I135 HydrophobicContact CG1-CD1 4.33Å; I70-I135 HydrophobicContact CG1-CG1 4.22Å; I70-I135 HydrophobicContact CG1-CG2 4.32Å; I135-L137 HydrophobicContact CG2-CD2 3.67Å; I135-L137 HydrophobicContact CG2-CG 4.01Å; I135-F163 HydrophobicContact CD1-CD1 3.72Å; I135-F163 HydrophobicContact CD1-CE1 4.04Å; I135-F163 HydrophobicContact CG2-CD1 4.44Å; I135-F163 HydrophobicContact CG2-CE1 4.4Å
136	D	91.5	Very high	81.5	Confident	2 Å²	2	33 Å²	33	1%	0.011	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	129.8	166.3	-163.1	37.3	0	0	0	108.6	L48 T65 P68 L69	L48-D136 HydrophobicContact CD1-CB 3.53Å; T65-D136 WeakPolarHBondContact CB-OD2 3.43Å; T65-D136 HydrophobicContact CG2-CB 4.35Å; T65-D136 WeakPolarHBondContact CG2-OD2 3.36Å; T65-D136 PolarHBondContact OG1-OD2 2.94Å; P68-D136 WeakPolarHBondContact CA-O 3.44Å; L69-D136 HydrophobicContact CB-CB 4.28Å; L69-D136 PolarHBondContact N-O 3.14Å; L69-D136 PolarHBondContact O-N 2.85Å
137	L	91.1	Very high	80.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.23	C	C	.	.			trans	-117.6	152.4	-179.4	-64.5	172.4	0	0	0	110.3	A35 V37 K44 P68 I135 G139 L160 F163	A35-L137 HydrophobicContact CB-CD1 3.86Å; V37-L137 HydrophobicContact CG1-CD1 4.31Å; K44-L137 WeakPolarHBondContact CE-O 3.48Å; P68-L137 HydrophobicContact CB-CD2 3.79Å; P68-L137 HydrophobicContact CG-CD2 4.01Å; I135-L137 HydrophobicContact CG2-CD2 3.67Å; I135-L137 HydrophobicContact CG2-CG 4.01Å; L137-G139 PolarHBondContact O-N 3.26Å; L137-L160 HydrophobicContact CB-CD2 3.59Å; L137-L160 HydrophobicContact CD1-CD2 3.81Å; L137-L160 HydrophobicContact CG-CD2 4.3Å; L137-F163 HydrophobicContact CD1-CB 4.1Å; L137-F163 HydrophobicContact CD1-CD2 4.22Å; L137-F163 HydrophobicContact CD1-CG 4.31Å; L137-F163 HydrophobicContact CD2-CD2 3.56Å; L137-F163 HydrophobicContact CD2-CE2 3.73Å; L137-F163 HydrophobicContact CD2-CG 4.13Å; L137-F163 HydrophobicContact CD2-CZ 4.4Å
138	P	89.6	Confident	80.6	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.013	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-51.6	141.6	179.5	-28.9	36.4	0	0	0	113.4	T65 M140 I156 M159	T65-P138 WeakPolarHBondContact O-CA 3.12Å; T65-P138 VanDerWaalsContact O-CB 3.29Å; T65-P138 WeakPolarHBondContact O-CB 3.27Å; T65-P138 WeakPolarHBondContact O-CG 3.31Å; P138-M140 PolarHBondContact O-N 3.3Å; P138-I156 HydrophobicContact CB-CG1 4.29Å; P138-I156 HydrophobicContact CB-CG2 4.19Å; P138-M159 HydrophobicContact CG-SD 3.68Å
139	G	88.8	Confident	80.9	Confident	8 Å²	8	34 Å²	34	8%	0.082	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-75.3	125.1	177.8	0	0	0	0	0	111.9	G38 L137 T141	G38-G139 WeakPolarHBondContact O-CA 3.35Å; L137-G139 PolarHBondContact O-N 3.26Å; G139-T141 PolarHBondContact O-N 3.23Å
140	M	87.1	Confident	81.1	Confident	25 Å²	25	40 Å²	40	12%	0.123	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-54.9	131.8	173.9	-67.6	171.6	-76.9	0	0	110.6	Q40 P138 I156 L160 D185 I189	Q40-M140 PolarHBondContact N-O 3.05Å; P138-M140 PolarHBondContact O-N 3.3Å; M140-I156 HydrophobicContact CG-CG2 4.1Å; M140-L160 HydrophobicContact CE-CD1 4.4Å; M140-L160 HydrophobicContact CG-CD1 3.55Å; M140-L160 HydrophobicContact SD-CD1 3.78Å; M140-D185 HydrophobicContact CE-CB 3.88Å; M140-D185 HydrophobicContact SD-CB 4.04Å; M140-I189 HydrophobicContact CE-CG2 4.18Å; M140-I189 HydrophobicContact SD-CD1 4.47Å; M140-I189 HydrophobicContact SD-CG2 4.31Å
141	T	84.1	Confident	81.6	Confident	15 Å²	15	40.1 Å²	40.1	9%	0.092	24%	0.244	C	C	.	.			trans	-127.4	150.4	169.9	179.5	0	0	0	0	108.4	I63 G139 V143 I152 E153 I156	I63-T141 HydrophobicContact CD1-CG2 4.1Å; G139-T141 PolarHBondContact O-N 3.23Å; T141-V143 PolarHBondContact OG1-N 3.01Å; T141-V143 PolarHBondContact OG1-O 3.36Å; T141-I152 HydrophobicContact CG2-CG2 4.26Å; T141-E153 WeakPolarHBondContact O-CB 3.35Å; T141-E153 WeakPolarHBondContact O-CG 3.35Å; T141-I156 HydrophobicContact CG2-CD1 4.1Å
142	K	78.3	Confident	82.2	Confident	115 Å²	115	39 Å²	39	50%	0.5	24%	0.239	S	C	.	.	S	Bend	trans	-105	-1.1	-178.7	-69.3	169.1	174.5	157.9	0	113.4	D185	K142-D185 VanDerWaalsContact CE-OD1 3.3Å; K142-D185 WeakPolarHBondContact CE-OD1 3.35Å; K142-D185 VanDerWaalsContact CE-OD2 3.25Å; K142-D185 WeakPolarHBondContact CE-OD2 3.34Å; K142-D185 IonicContact NZ-OD1 3.29Å; K142-D185 PolarHBondContact NZ-OD1 2.97Å; K142-D185 IonicContact NZ-OD2 3.49Å; K142-D185 PolarHBondContact NZ-OD2 2.9Å
143	V	79.1	Confident	82.8	Confident	102 Å²	102	42.6 Å²	42.6	62%	0.618	26%	0.255	S	S	*	.	S	Bend	trans	-145.7	134.5	-179.3	-170.9	0	0	0	0	107.9	T141	T141-V143 PolarHBondContact OG1-N 3.01Å; T141-V143 PolarHBondContact OG1-O 3.36Å
144	A	76.8	Confident	83.2	Confident	37 Å²	37	48.1 Å²	48.1	31%	0.306	28%	0.281	S	S	.	.			trans	-71.9	136.5	171.9	0	0	0	0	0	110.7	Q148 I152	A144-Q148 HydrophobicContact CB-CB 4.04Å; A144-I152 HydrophobicContact CB-CG2 3.85Å
145	V	74.4	Confident	83.2	Confident	83 Å²	83	51.2 Å²	51.2	50%	0.503	30%	0.295	S	S	.	.			trans	-127.6	115.1	-175.7	-174.5	0	0	0	0	111.7
146	G	74.1	Confident	83.2	Confident	56 Å²	56	51.3 Å²	51.3	58%	0.577	30%	0.296	S	S	*	.	S	Bend	trans	75.2	-140.4	-171.7	0	0	0	0	0	110.8	Q148	G146-Q148 PolarHBondContact O-N 3.1Å
147	D	71.7	Confident	83.2	Confident	116 Å²	116	55.5 Å²	55.5	62%	0.62	31%	0.311	S	S	*	.	S	Bend	trans	-74.2	17	-172.4	-37.9	-84.5	0	0	0	114.3
148	Q	75.1	Confident	83.2	Confident	17 Å²	17	59.8 Å²	59.8	8%	0.079	33%	0.334	C	S	.	.			trans	-76.4	141.8	179.3	-68.4	-178.5	-27	0	0	110.8	I63 K113 A144 G146	I63-Q148 VanDerWaalsContact CD1-NE2 3.3Å; K113-Q148 HydrophobicContact CB-CG 4.03Å; A144-Q148 HydrophobicContact CB-CB 4.04Å; G146-Q148 PolarHBondContact O-N 3.1Å
149	P	78.8	Confident	83.1	Confident	41 Å²	41	60 Å²	60	27%	0.266	34%	0.335	S	S	.	.			trans	-69.7	151.6	-179.7	32.9	-37.6	0	0	0	110.9	D151 I152	P149-D151 WeakPolarHBondContact CB-OD1 3.49Å; P149-D151 PolarHBondContact O-N 3.46Å; P149-I152 HydrophobicContact CG-CB 4.25Å; P149-I152 HydrophobicContact CG-CD1 4.32Å; P149-I152 VanDerWaalsContact O-CB 3.26Å; P149-I152 WeakPolarHBondContact O-CB 3.44Å; P149-I152 WeakPolarHBondContact O-CG2 3.4Å; P149-I152 PolarHBondContact O-N 2.87Å; P149-I152 VanDerWaalsContact O-N 3.09Å
150	P	81.8	Confident	83.2	Confident	128 Å²	128	59.7 Å²	59.7	83%	0.831	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.7	-172.7	27.3	-35.5	0	0	0	113.6
151	D	86.1	Confident	83.4	Confident	66 Å²	66	60.4 Å²	60.4	35%	0.353	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	9.5	177.4	64.9	-50.3	0	0	0	113.6	P149 E153 H154 Q155	P149-D151 WeakPolarHBondContact CB-OD1 3.49Å; P149-D151 PolarHBondContact O-N 3.46Å; D151-E153 PolarHBondContact O-N 3.49Å; D151-H154 WeakPolarHBondContact O-CA 3.44Å; D151-H154 WeakPolarHBondContact O-CB 3.35Å; D151-H154 PolarHBondContact O-N 2.69Å; D151-Q155 VanDerWaalsContact CG-NE2 3.31Å; D151-Q155 PolarHBondContact O-N 2.72Å; D151-Q155 VanDerWaalsContact O-N 3.12Å; D151-Q155 PolarHBondContact OD1-NE2 3.26Å; D151-Q155 WeakPolarHBondContact OD2-CG 3.31Å; D151-Q155 PolarHBondContact OD2-NE2 3.16Å
152	I	85.5	Confident	83.6	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.015	36%	0.355	C	S	.	.	H	α-helix	trans	-51.9	-33.5	-175.8	-170.5	61.6	0	0	0	114.2	I63 I115 T141 A144 P149 H154 Q155 I156	I63-I152 HydrophobicContact CD1-CD1 4.41Å; I63-I152 HydrophobicContact CD1-CG1 3.97Å; I115-I152 HydrophobicContact CD1-CD1 3.75Å; I115-I152 HydrophobicContact CG1-CD1 3.96Å; I115-I152 HydrophobicContact CG2-CD1 4.05Å; T141-I152 HydrophobicContact CG2-CG2 4.26Å; A144-I152 HydrophobicContact CB-CG2 3.85Å; P149-I152 HydrophobicContact CG-CB 4.25Å; P149-I152 HydrophobicContact CG-CD1 4.32Å; P149-I152 VanDerWaalsContact O-CB 3.26Å; P149-I152 WeakPolarHBondContact O-CB 3.44Å; P149-I152 WeakPolarHBondContact O-CG2 3.4Å; P149-I152 PolarHBondContact O-N 2.87Å; P149-I152 VanDerWaalsContact O-N 3.09Å; I152-H154 PolarHBondContact O-N 2.97Å; I152-Q155 PolarHBondContact O-N 3.15Å; I152-I156 HydrophobicContact CD1-CG1 4.45Å; I152-I156 HydrophobicContact CG1-CD1 4.14Å; I152-I156 HydrophobicContact CG1-CG1 4.47Å; I152-I156 VanDerWaalsContact O-CG1 3.25Å; I152-I156 WeakPolarHBondContact O-CG1 3.37Å; I152-I156 PolarHBondContact O-N 2.85Å
153	E	87.6	Confident	84	Confident	75 Å²	75	60.7 Å²	60.7	35%	0.35	34%	0.337	S	S	.	.	H	α-helix	trans	-60.9	-42.9	174	-177.6	169.3	-168.5	0	0	112.1	T141 D151 R157	T141-E153 WeakPolarHBondContact O-CB 3.35Å; T141-E153 WeakPolarHBondContact O-CG 3.35Å; D151-E153 PolarHBondContact O-N 3.49Å; E153-R157 WeakPolarHBondContact O-CB 3.41Å; E153-R157 PolarHBondContact O-N 2.76Å
154	H	88.6	Confident	84.6	Confident	119 Å²	119	55.8 Å²	55.8	55%	0.551	31%	0.308	S	S	*	.	H	α-helix	trans	-68.5	-44.6	178	-62.8	81.1	0	0	0	110.6	D151 I152 I156 R157 D158	D151-H154 WeakPolarHBondContact O-CA 3.44Å; D151-H154 WeakPolarHBondContact O-CB 3.35Å; D151-H154 PolarHBondContact O-N 2.69Å; I152-H154 PolarHBondContact O-N 2.97Å; H154-I156 VanDerWaalsContact C-N 3.31Å; H154-I156 PolarHBondContact O-N 3.21Å; H154-R157 WeakPolarHBondContact O-CB 3.35Å; H154-R157 PolarHBondContact O-N 2.86Å; H154-R157 VanDerWaalsContact O-N 3.1Å; H154-D158 PolarHBondContact O-N 3.46Å
155	Q	88.1	Confident	85.3	Confident	66 Å²	66	58.2 Å²	58.2	31%	0.308	32%	0.318	S	S	.	.	H	α-helix	trans	-60.3	-39.3	177.2	-58.6	-176.4	8.6	0	0	112.4	I115 D151 I152 M159	I115-Q155 HydrophobicContact CD1-CB 3.81Å; I115-Q155 HydrophobicContact CG1-CB 4.48Å; D151-Q155 VanDerWaalsContact CG-NE2 3.31Å; D151-Q155 PolarHBondContact O-N 2.72Å; D151-Q155 VanDerWaalsContact O-N 3.12Å; D151-Q155 PolarHBondContact OD1-NE2 3.26Å; D151-Q155 WeakPolarHBondContact OD2-CG 3.31Å; D151-Q155 PolarHBondContact OD2-NE2 3.16Å; I152-Q155 PolarHBondContact O-N 3.15Å; Q155-M159 VanDerWaalsContact O-CB 3.3Å; Q155-M159 WeakPolarHBondContact O-CB 3.38Å; Q155-M159 PolarHBondContact O-N 3.45Å; Q155-M159 VanDerWaalsContact O-N 3.1Å
156	I	89.8	Confident	85.9	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-67.2	-44.3	173.4	-65.8	170.4	0	0	0	110.8	I63 I115 P138 M140 T141 I152 H154 M159 L160	I63-I156 HydrophobicContact CD1-CD1 3.62Å; I115-I156 HydrophobicContact CD1-CG1 3.6Å; P138-I156 HydrophobicContact CB-CG1 4.29Å; P138-I156 HydrophobicContact CB-CG2 4.19Å; M140-I156 HydrophobicContact CG-CG2 4.1Å; T141-I156 HydrophobicContact CG2-CD1 4.1Å; I152-I156 HydrophobicContact CD1-CG1 4.45Å; I152-I156 HydrophobicContact CG1-CD1 4.14Å; I152-I156 HydrophobicContact CG1-CG1 4.47Å; I152-I156 VanDerWaalsContact O-CG1 3.25Å; I152-I156 WeakPolarHBondContact O-CG1 3.37Å; I152-I156 PolarHBondContact O-N 2.85Å; H154-I156 VanDerWaalsContact C-N 3.31Å; H154-I156 PolarHBondContact O-N 3.21Å; I156-M159 PolarHBondContact O-N 3.3Å; I156-L160 HydrophobicContact CG2-CD1 3.82Å; I156-L160 HydrophobicContact CG2-CG 4.28Å; I156-L160 VanDerWaalsContact O-CG 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.33Å; I156-L160 PolarHBondContact O-N 2.84Å
157	R	91.5	Very high	86.4	Confident	91 Å²	91	61.4 Å²	61.4	34%	0.343	31%	0.312	S	S	.	.	H	α-helix	trans	-59.2	-48.6	179.1	-172.2	-172.9	-173	105	1.5	111.7	E153 H154 M159 L160 L161 I189 E192	E153-R157 WeakPolarHBondContact O-CB 3.41Å; E153-R157 PolarHBondContact O-N 2.76Å; H154-R157 WeakPolarHBondContact O-CB 3.35Å; H154-R157 PolarHBondContact O-N 2.86Å; H154-R157 VanDerWaalsContact O-N 3.1Å; R157-M159 VanDerWaalsContact C-N 3.33Å; R157-M159 PolarHBondContact O-N 2.98Å; R157-L160 WeakPolarHBondContact O-CB 3.41Å; R157-L160 PolarHBondContact O-N 3.28Å; R157-L161 HydrophobicContact CG-CD1 4.21Å; R157-L161 VanDerWaalsContact O-CG 3.31Å; R157-L161 WeakPolarHBondContact O-CG 3.43Å; R157-L161 PolarHBondContact O-N 3.01Å; R157-I189 HydrophobicContact CG-CD1 4.15Å; R157-E192 IonicContact CZ-OE1 3.96Å; R157-E192 IonicContact CZ-OE2 2.74Å; R157-E192 IonicContact NH2-OE1 2.66Å; R157-E192 PolarHBondContact NH2-OE1 2.97Å; R157-E192 IonicContact NH2-OE2 2.68Å; R157-E192 PolarHBondContact NH2-OE2 3.23Å
158	D	90	Very high	86.9	Confident	90 Å²	90	56.2 Å²	56.2	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-65.6	-38	179.3	-68.5	-14.4	0	0	0	111.3	H154 L161 Q162	H154-D158 PolarHBondContact O-N 3.46Å; D158-L161 PolarHBondContact O-N 2.95Å; D158-Q162 WeakPolarHBondContact O-CG 3.22Å; D158-Q162 PolarHBondContact O-N 3.3Å; D158-Q162 VanDerWaalsContact O-N 3.12Å; D158-Q162 PolarHBondContact O-NE2 2.69Å
159	M	88.8	Confident	87.6	Confident	6 Å²	6	55.4 Å²	55.4	3%	0.03	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-41.2	172.5	-171.2	-174.9	-55	0	0	112.2	P68 I115 S116 P117 P138 Q155 I156 R157 F163	P68-M159 HydrophobicContact CG-CG 4.23Å; P68-M159 HydrophobicContact CG-SD 3.73Å; I115-M159 HydrophobicContact CB-CE 4.06Å; I115-M159 HydrophobicContact CD1-CE 3.64Å; I115-M159 HydrophobicContact CG1-CE 3.81Å; S116-M159 VanDerWaalsContact C-CE 3.44Å; P117-M159 HydrophobicContact CB-CE 4.2Å; P117-M159 HydrophobicContact CB-CG 4.21Å; P138-M159 HydrophobicContact CG-SD 3.68Å; Q155-M159 VanDerWaalsContact O-CB 3.3Å; Q155-M159 WeakPolarHBondContact O-CB 3.38Å; Q155-M159 PolarHBondContact O-N 3.45Å; Q155-M159 VanDerWaalsContact O-N 3.1Å; I156-M159 PolarHBondContact O-N 3.3Å; R157-M159 VanDerWaalsContact C-N 3.33Å; R157-M159 PolarHBondContact O-N 2.98Å; M159-F163 VanDerWaalsContact O-CD2 3.27Å; M159-F163 WeakPolarHBondContact O-CD2 3.37Å
160	L	91.1	Very high	88.2	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-48.5	174.3	-71.7	162.4	0	0	0	110.5	V37 L137 M140 I156 R157 Q162 F163 I164 I189	V37-L160 HydrophobicContact CB-CD2 4.38Å; V37-L160 HydrophobicContact CG1-CD2 3.86Å; L137-L160 HydrophobicContact CB-CD2 3.59Å; L137-L160 HydrophobicContact CD1-CD2 3.81Å; L137-L160 HydrophobicContact CG-CD2 4.3Å; M140-L160 HydrophobicContact CE-CD1 4.4Å; M140-L160 HydrophobicContact CG-CD1 3.55Å; M140-L160 HydrophobicContact SD-CD1 3.78Å; I156-L160 HydrophobicContact CG2-CD1 3.82Å; I156-L160 HydrophobicContact CG2-CG 4.28Å; I156-L160 VanDerWaalsContact O-CG 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.33Å; I156-L160 PolarHBondContact O-N 2.84Å; R157-L160 WeakPolarHBondContact O-CB 3.41Å; R157-L160 PolarHBondContact O-N 3.28Å; L160-Q162 VanDerWaalsContact C-N 3.31Å; L160-Q162 PolarHBondContact O-N 3.34Å; L160-F163 PolarHBondContact O-N 2.99Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 2.7Å; L160-I189 HydrophobicContact CB-CD1 3.85Å; L160-I189 HydrophobicContact CD1-CD1 3.83Å; L160-I189 HydrophobicContact CG-CD1 4.48Å
161	L	91.2	Very high	88.8	Confident	41 Å²	41	47.4 Å²	47.4	22%	0.215	23%	0.229	C	C	.	.	H	α-helix	trans	-59.8	-36.3	-178.1	-70.9	171	0	0	0	112.8	R157 D158 F163 I164 V165 I189 V193	R157-L161 HydrophobicContact CG-CD1 4.21Å; R157-L161 VanDerWaalsContact O-CG 3.31Å; R157-L161 WeakPolarHBondContact O-CG 3.43Å; R157-L161 PolarHBondContact O-N 3.01Å; D158-L161 PolarHBondContact O-N 2.95Å; L161-F163 PolarHBondContact O-N 3.14Å; L161-F163 VanDerWaalsContact O-N 3.11Å; L161-I164 HydrophobicContact CD2-CD1 4.47Å; L161-I164 HydrophobicContact CD2-CG1 4.33Å; L161-I164 PolarHBondContact O-N 3.02Å; L161-V165 HydrophobicContact CB-CG2 4.01Å; L161-V165 HydrophobicContact CD2-CG2 3.83Å; L161-V165 VanDerWaalsContact O-CB 3.29Å; L161-V165 WeakPolarHBondContact O-CB 3.43Å; L161-V165 VanDerWaalsContact O-CG2 3.22Å; L161-V165 WeakPolarHBondContact O-CG2 3.36Å; L161-V165 PolarHBondContact O-N 3.29Å; L161-I189 HydrophobicContact CD2-CG1 4.46Å; L161-V193 HydrophobicContact CD2-CG1 3.73Å
162	Q	87.7	Confident	89.3	Confident	108 Å²	108	44.2 Å²	44.2	51%	0.505	21%	0.212	S	C	.	.	H	α-helix	trans	-54.5	-29.6	174.1	-73	165.9	41.6	0	0	113.6	D158 L160 K166	D158-Q162 WeakPolarHBondContact O-CG 3.22Å; D158-Q162 PolarHBondContact O-N 3.3Å; D158-Q162 VanDerWaalsContact O-N 3.12Å; D158-Q162 PolarHBondContact O-NE2 2.69Å; L160-Q162 VanDerWaalsContact C-N 3.31Å; L160-Q162 PolarHBondContact O-N 3.34Å; Q162-K166 WeakPolarHBondContact O-CE 3.49Å
163	F	87.2	Confident	89.7	Confident	27 Å²	27	44.1 Å²	44.1	12%	0.118	21%	0.212	C	C	.	.	H	α-helix	trans	-95.1	-48.5	174.8	-63	-87.7	0	0	0	112.4	P68 I135 L137 M159 L160 L161 C169	P68-F163 HydrophobicContact CB-CE2 4.1Å; P68-F163 HydrophobicContact CB-CZ 3.89Å; P68-F163 HydrophobicContact CG-CE2 3.76Å; P68-F163 HydrophobicContact CG-CZ 3.92Å; I135-F163 HydrophobicContact CD1-CD1 3.72Å; I135-F163 HydrophobicContact CD1-CE1 4.04Å; I135-F163 HydrophobicContact CG2-CD1 4.44Å; I135-F163 HydrophobicContact CG2-CE1 4.4Å; L137-F163 HydrophobicContact CD1-CB 4.1Å; L137-F163 HydrophobicContact CD1-CD2 4.22Å; L137-F163 HydrophobicContact CD1-CG 4.31Å; L137-F163 HydrophobicContact CD2-CD2 3.56Å; L137-F163 HydrophobicContact CD2-CE2 3.73Å; L137-F163 HydrophobicContact CD2-CG 4.13Å; L137-F163 HydrophobicContact CD2-CZ 4.4Å; M159-F163 VanDerWaalsContact O-CD2 3.27Å; M159-F163 WeakPolarHBondContact O-CD2 3.37Å; L160-F163 PolarHBondContact O-N 2.99Å; L161-F163 PolarHBondContact O-N 3.14Å; L161-F163 VanDerWaalsContact O-N 3.11Å; F163-C169 WeakPolarHBondContact O-CB 3.38Å
164	I	91.4	Very high	90.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-83.9	-15.2	-167.7	70.7	175.8	0	0	0	115.2	A35 V37 L160 L161 K166 I171 I189 V193 R199	A35-I164 HydrophobicContact CB-CG2 3.81Å; V37-I164 HydrophobicContact CG1-CG2 3.81Å; L160-I164 WeakPolarHBondContact O-CG1 3.44Å; L160-I164 PolarHBondContact O-N 2.7Å; L161-I164 HydrophobicContact CD2-CD1 4.47Å; L161-I164 HydrophobicContact CD2-CG1 4.33Å; L161-I164 PolarHBondContact O-N 3.02Å; I164-K166 PolarHBondContact O-N 2.82Å; I164-I171 HydrophobicContact CB-CD1 4.05Å; I164-I171 HydrophobicContact CB-CG1 4.19Å; I164-I171 HydrophobicContact CG2-CG1 4.28Å; I164-I189 HydrophobicContact CD1-CD1 4.03Å; I164-I189 HydrophobicContact CD1-CG1 3.97Å; I164-I189 HydrophobicContact CD1-CG2 4.16Å; I164-V193 HydrophobicContact CB-CG2 4.29Å; I164-V193 HydrophobicContact CD1-CG2 3.98Å; I164-V193 HydrophobicContact CG1-CG1 4.38Å; I164-V193 HydrophobicContact CG1-CG2 3.96Å; I164-R199 VanDerWaalsContact O-CZ 3.27Å; I164-R199 PolarHBondContact O-NH1 3.22Å; I164-R199 PolarHBondContact O-NH2 3.3Å
165	V	91.3	Very high	90.4	Very high	87 Å²	87	35 Å²	35	53%	0.527	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.2	173	170.4	0	0	0	0	111.6	L161 E167 V193	L161-V165 HydrophobicContact CB-CG2 4.01Å; L161-V165 HydrophobicContact CD2-CG2 3.83Å; L161-V165 VanDerWaalsContact O-CB 3.29Å; L161-V165 WeakPolarHBondContact O-CB 3.43Å; L161-V165 VanDerWaalsContact O-CG2 3.22Å; L161-V165 WeakPolarHBondContact O-CG2 3.36Å; L161-V165 PolarHBondContact O-N 3.29Å; V165-E167 PolarHBondContact O-N 3.24Å; V165-V193 HydrophobicContact CG2-CG1 3.8Å
166	K	86.8	Confident	90.6	Very high	40 Å²	40	32.7 Å²	32.7	17%	0.174	16%	0.16	C	C	.	.	S	Bend	trans	-64.9	122.9	178.6	-65.1	165.8	174.5	-91.7	0	110.9	N28 D30 Q162 I164 S168 C169 R199	N28-K166 PolarHBondContact OD1-NZ 3.13Å; D30-K166 IonicContact OD1-NZ 3.42Å; D30-K166 PolarHBondContact OD1-NZ 3.08Å; Q162-K166 WeakPolarHBondContact O-CE 3.49Å; I164-K166 PolarHBondContact O-N 2.82Å; K166-S168 PolarHBondContact O-N 2.81Å; K166-C169 HydrophobicContact CB-CB 4.25Å; K166-C169 VanDerWaalsContact O-CB 3.26Å; K166-C169 WeakPolarHBondContact O-CB 3.35Å; K166-C169 PolarHBondContact O-N 3.04Å; K166-R199 PolarHBondContact O-NH1 3.37Å
167	E	85.1	Confident	90.8	Very high	166 Å²	166	33.1 Å²	33.1	78%	0.776	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.6	-178.3	-63	-175.4	158.8	0	0	114	V165 C169 R199 H288	V165-E167 PolarHBondContact O-N 3.24Å; E167-C169 VanDerWaalsContact C-N 3.26Å; E167-C169 PolarHBondContact O-N 3.39Å; E167-R199 WeakPolarHBondContact O-CD 3.37Å; E167-H288 PolarHBondContact O-CE1 2.7Å; E167-H288 PolarHBondContact O-NE2 3.48Å
168	S	82.6	Confident	90.6	Very high	8 Å²	8	32.8 Å²	32.8	6%	0.056	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-0.7	175	57.5	0	0	0	0	114.4	D30 P32 Q33 K166 H288	D30-S168 VanDerWaalsContact CB-OG 3.31Å; D30-S168 WeakPolarHBondContact CB-OG 3.47Å; D30-S168 VanDerWaalsContact O-CB 3.23Å; D30-S168 WeakPolarHBondContact O-CB 3.32Å; D30-S168 PolarHBondContact O-OG 2.83Å; P32-S168 WeakPolarHBondContact CA-O 3.26Å; Q33-S168 PolarHBondContact N-O 2.89Å; K166-S168 PolarHBondContact O-N 2.81Å; S168-H288 VanDerWaalsContact CA-NE2 3.29Å; S168-H288 WeakPolarHBondContact CA-NE2 3.39Å; S168-H288 PolarHBondContact O-CD2 2.73Å; S168-H288 PolarHBondContact O-NE2 2.76Å
169	C	88.4	Confident	90.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	118.7	172.3	-167.9	0	0	0	0	110.3	Q33 A35 F163 K166 E167 R199	Q33-C169 HydrophobicContact CG-CB 4.25Å; Q33-C169 WeakPolarHBondContact O-CA 3.45Å; A35-C169 WeakPolarHBondContact CB-SG 3.23Å; F163-C169 WeakPolarHBondContact O-CB 3.38Å; K166-C169 HydrophobicContact CB-CB 4.25Å; K166-C169 VanDerWaalsContact O-CB 3.26Å; K166-C169 WeakPolarHBondContact O-CB 3.35Å; K166-C169 PolarHBondContact O-N 3.04Å; E167-C169 VanDerWaalsContact C-N 3.26Å; E167-C169 PolarHBondContact O-N 3.39Å; C169-R199 WeakPolarHBondContact O-CD 3.33Å; C169-R199 PolarHBondContact O-NH1 3.16Å
170	L	91.7	Very high	90	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	138.2	163.4	-63.8	-178.8	0	0	0	109.1	Q33 I34 A35 R199 Q284 L285 H288	Q33-L170 PolarHBondContact O-N 2.91Å; I34-L170 WeakPolarHBondContact CA-O 3.44Å; I34-L170 HydrophobicContact CG1-CB 4.27Å; I34-L170 HydrophobicContact CG1-CD1 4.29Å; A35-L170 PolarHBondContact N-O 2.85Å; L170-R199 WeakPolarHBondContact CA-O 3.37Å; L170-R199 HydrophobicContact CD2-CB 3.96Å; L170-Q284 HydrophobicContact CD1-CB 4.29Å; L170-L285 HydrophobicContact CD1-CB 4.33Å; L170-L285 HydrophobicContact CD1-CD1 4.48Å; L170-H288 HydrophobicContact CD1-CB 4.19Å; L170-H288 HydrophobicContact CD2-CB 4.13Å; L170-H288 HydrophobicContact CG-CB 4.32Å
171	I	94.9	Very high	89.6	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	117.7	-177.6	-55.8	175.6	0	0	0	108.6	V37 I164 A190 V193 D194 R199 T200 I201	V37-I171 HydrophobicContact CG1-CG2 4.4Å; V37-I171 HydrophobicContact CG2-CG2 3.49Å; V37-I171 VanDerWaalsContact CG2-CG2 3.49Å; I164-I171 HydrophobicContact CB-CD1 4.05Å; I164-I171 HydrophobicContact CB-CG1 4.19Å; I164-I171 HydrophobicContact CG2-CG1 4.28Å; I171-A190 HydrophobicContact CD1-CB 4.44Å; I171-A190 HydrophobicContact CG2-CB 4Å; I171-V193 HydrophobicContact CD1-CG2 3.48Å; I171-V193 VanDerWaalsContact CD1-CG2 3.48Å; I171-D194 HydrophobicContact CD1-CB 4.37Å; I171-R199 PolarHBondContact N-O 3.41Å; I171-T200 CarbonylContact O-C 3.54Å; I171-T200 WeakPolarHBondContact O-CA 3.3Å; I171-I201 PolarHBondContact O-N 2.84Å
172	L	95.4	Very high	89.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	95.7	174.1	-165.9	63.5	0	0	0	109.2	I34 A35 V36 V37 V174 I201 V203 L277 L281	I34-L172 HydrophobicContact CG2-CB 3.91Å; I34-L172 HydrophobicContact CG2-CD2 4.45Å; A35-L172 PolarHBondContact O-N 2.64Å; V36-L172 HydrophobicContact CG1-CD2 4.35Å; V36-L172 HydrophobicContact CG2-CB 4.46Å; V36-L172 HydrophobicContact CG2-CD2 4.14Å; V37-L172 PolarHBondContact N-O 3.46Å; L172-V174 HydrophobicContact CG-CG2 4.44Å; L172-V174 PolarHBondContact O-N 3.47Å; L172-I201 HydrophobicContact CD1-CB 3.88Å; L172-I201 HydrophobicContact CD1-CG2 3.83Å; L172-V203 HydrophobicContact CD1-CG2 3.41Å; L172-V203 VanDerWaalsContact CD1-CG2 3.41Å; L172-V203 HydrophobicContact CD2-CG2 4.41Å; L172-V203 HydrophobicContact CG-CG2 3.89Å; L172-L277 HydrophobicContact CD1-CD1 4.46Å; L172-L281 HydrophobicContact CD1-CD1 4.49Å; L172-L281 HydrophobicContact CD1-CD2 3.65Å; L172-L281 HydrophobicContact CD2-CD1 3.98Å; L172-L281 HydrophobicContact CD2-CD2 4.38Å
173	A	95.6	Very high	89	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	96.5	-174.2	0	0	0	0	0	110.9	V37 A186 L187 T200 I201 V203	V37-A173 HydrophobicContact CG2-CB 4.36Å; A173-A186 HydrophobicContact CB-CB 4.16Å; A173-L187 HydrophobicContact CB-CD2 3.68Å; A173-L187 HydrophobicContact CB-CG 4.29Å; A173-T200 HydrophobicContact CB-CG2 4.02Å; A173-I201 PolarHBondContact N-O 3.37Å; A173-V203 PolarHBondContact O-N 3.16Å
174	V	95.3	Very high	89.1	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	113.8	-176.2	-173	0	0	0	0	110.4	V36 V37 A42 K44 L172 V203 T205	V36-V174 HydrophobicContact CG1-CG2 3.58Å; V37-V174 PolarHBondContact O-N 3.37Å; A42-V174 HydrophobicContact CB-CG1 4.39Å; A42-V174 WeakPolarHBondContact O-CG1 3.19Å; K44-V174 HydrophobicContact CG-CB 4.08Å; K44-V174 HydrophobicContact CG-CG1 4.33Å; K44-V174 HydrophobicContact CG-CG2 4.17Å; L172-V174 HydrophobicContact CG-CG2 4.44Å; L172-V174 PolarHBondContact O-N 3.47Å; V174-V203 HydrophobicContact CG2-CB 4.34Å; V174-T205 HydrophobicContact CG1-CG2 3.56Å
175	T	94.2	Very high	89	Confident	2 Å²	2	38 Å²	38	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.3	-179.4	-53.2	0	0	0	0	110.2	L181 S184 V203 I204 T205	T175-L181 HydrophobicContact CG2-CD1 4.31Å; T175-S184 WeakPolarHBondContact CG2-OG 3.28Å; T175-S184 PolarHBondContact OG1-OG 2.8Å; T175-V203 PolarHBondContact N-O 2.89Å; T175-I204 CarbonylContact O-C 3.6Å; T175-I204 VanDerWaalsContact O-CA 3.3Å; T175-I204 WeakPolarHBondContact O-CA 3.2Å; T175-T205 PolarHBondContact O-N 2.99Å
176	P	93.6	Very high	89	Confident	17 Å²	17	33.9 Å²	33.9	11%	0.11	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	137.8	173.4	31.6	-29	0	0	0	111.9	N178 T179 T205 K206	P176-N178 PolarHBondContact O-N 2.98Å; P176-T179 HydrophobicContact CG-CG2 4.03Å; P176-T179 WeakPolarHBondContact CG-OG1 3.24Å; P176-T179 PolarHBondContact O-N 3.02Å; P176-T179 VanDerWaalsContact O-N 3.15Å; P176-T179 PolarHBondContact O-OG1 3.35Å; P176-T205 WeakPolarHBondContact CA-OG1 3.33Å; P176-K206 HydrophobicContact CB-CB 4.42Å; P176-K206 HydrophobicContact CB-CD 3.81Å; P176-K206 HydrophobicContact CB-CG 4.24Å
177	A	92.1	Very high	89.3	Confident	11 Å²	11	32.4 Å²	32.4	9%	0.091	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.2	-175.1	0	0	0	0	0	114.1	T179 I204 T205 L207 M210	A177-T179 PolarHBondContact O-N 2.96Å; A177-I204 HydrophobicContact CB-CG2 3.69Å; A177-T205 VanDerWaalsContact CB-O 3.3Å; A177-T205 WeakPolarHBondContact CB-O 3.42Å; A177-T205 PolarHBondContact N-O 2.96Å; A177-L207 HydrophobicContact CB-CD2 3.67Å; A177-L207 HydrophobicContact CB-CG 4.04Å; A177-M210 HydrophobicContact CB-CE 4.49Å; A177-M210 HydrophobicContact CB-CG 3.83Å; A177-M210 HydrophobicContact CB-SD 3.73Å
178	N	87.9	Confident	89.6	Confident	84 Å²	84	28.4 Å²	28.4	45%	0.449	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	19.4	175.4	80.7	-48.4	0	0	0	113.2	P176 L209	P176-N178 PolarHBondContact O-N 2.98Å; N178-L209 WeakPolarHBondContact CB-O 3.29Å
179	T	84.4	Confident	90.1	Very high	65 Å²	65	28.2 Å²	28.2	40%	0.399	16%	0.163	S	C	.	.	S	Bend	trans	-133.4	141.5	170.7	60.9	0	0	0	0	109.6	P176 A177 L181	P176-T179 HydrophobicContact CG-CG2 4.03Å; P176-T179 WeakPolarHBondContact CG-OG1 3.24Å; P176-T179 PolarHBondContact O-N 3.02Å; P176-T179 VanDerWaalsContact O-N 3.15Å; P176-T179 PolarHBondContact O-OG1 3.35Å; A177-T179 PolarHBondContact O-N 2.96Å; T179-L181 PolarHBondContact O-N 3.33Å
180	D	83.1	Confident	90.3	Very high	87 Å²	87	28.3 Å²	28.3	47%	0.465	16%	0.164	S	C	.	.			trans	-58.9	132.2	176.3	159.6	43.4	0	0	0	111.7	A182 N183 S184	D180-A182 VanDerWaalsContact C-N 3.3Å; D180-A182 PolarHBondContact O-N 2.93Å; D180-A182 PolarHBondContact OD1-N 2.9Å; D180-N183 WeakPolarHBondContact O-CA 3.01Å; D180-N183 WeakPolarHBondContact O-CB 3.31Å; D180-N183 PolarHBondContact O-N 3.46Å; D180-N183 PolarHBondContact OD2-N 3.15Å; D180-N183 PolarHBondContact OD2-ND2 2.82Å; D180-S184 PolarHBondContact O-N 3.19Å
181	L	82.1	Confident	90.3	Very high	8 Å²	8	32.2 Å²	32.2	4%	0.042	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-61.1	-36.3	-177	-164.8	73.3	0	0	0	112.4	T175 T179 N183 S184 L187 I204 I219 L224 L225 Y231	T175-L181 HydrophobicContact CG2-CD1 4.31Å; T179-L181 PolarHBondContact O-N 3.33Å; L181-N183 PolarHBondContact O-N 3.29Å; L181-S184 VanDerWaalsContact O-CB 3.31Å; L181-S184 WeakPolarHBondContact O-CB 3.41Å; L181-S184 PolarHBondContact O-N 3.24Å; L181-S184 VanDerWaalsContact O-N 3.11Å; L181-L187 HydrophobicContact CD1-CD1 3.37Å; L181-L187 HydrophobicContact CG-CD1 3.81Å; L181-I204 HydrophobicContact CD1-CD1 4.13Å; L181-I219 HydrophobicContact CB-CD1 4.12Å; L181-I219 HydrophobicContact CD1-CD1 4.33Å; L181-I219 HydrophobicContact CD1-CG2 3.97Å; L181-I219 HydrophobicContact CD2-CD1 4.31Å; L181-I219 HydrophobicContact CD2-CG1 4.13Å; L181-I219 HydrophobicContact CD2-CG2 3.86Å; L181-I219 HydrophobicContact CG-CD1 4.5Å; L181-L224 HydrophobicContact CB-CD2 4.2Å; L181-L224 HydrophobicContact CD2-CD2 4Å; L181-L224 HydrophobicContact CD2-CG 4.34Å; L181-L225 HydrophobicContact CD2-CB 3.84Å; L181-Y231 HydrophobicContact CD1-CE1 4.29Å
182	A	80.9	Confident	90.1	Very high	75 Å²	75	37 Å²	37	62%	0.62	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-66	-21.4	177.2	0	0	0	0	0	112.1	D180 K188	D180-A182 VanDerWaalsContact C-N 3.3Å; D180-A182 PolarHBondContact O-N 2.93Å; D180-A182 PolarHBondContact OD1-N 2.9Å; A182-K188 WeakPolarHBondContact O-CE 3.36Å
183	N	85.2	Confident	90	Very high	98 Å²	98	38.5 Å²	38.5	52%	0.524	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-90.1	-6.8	175.5	-82.5	-70.4	0	0	0	114.8	D180 L181 D185 K188	D180-N183 WeakPolarHBondContact O-CA 3.01Å; D180-N183 WeakPolarHBondContact O-CB 3.31Å; D180-N183 PolarHBondContact O-N 3.46Å; D180-N183 PolarHBondContact OD2-N 3.15Å; D180-N183 PolarHBondContact OD2-ND2 2.82Å; L181-N183 PolarHBondContact O-N 3.29Å; N183-D185 PolarHBondContact O-N 2.71Å; N183-D185 VanDerWaalsContact O-N 3.14Å; N183-K188 PolarHBondContact O-NZ 2.96Å
184	S	89.4	Confident	89.9	Confident	9 Å²	9	39 Å²	39	6%	0.063	22%	0.215	C	C	.	.			trans	-62.8	110.6	-179.9	-178.6	0	0	0	0	113.5	T175 D180 L181 A186 L187 K188	T175-S184 WeakPolarHBondContact CG2-OG 3.28Å; T175-S184 PolarHBondContact OG1-OG 2.8Å; D180-S184 PolarHBondContact O-N 3.19Å; L181-S184 VanDerWaalsContact O-CB 3.31Å; L181-S184 WeakPolarHBondContact O-CB 3.41Å; L181-S184 PolarHBondContact O-N 3.24Å; L181-S184 VanDerWaalsContact O-N 3.11Å; S184-A186 PolarHBondContact O-N 2.87Å; S184-A186 WeakPolarHBondContact OG-CB 3.47Å; S184-A186 PolarHBondContact OG-N 3.44Å; S184-L187 PolarHBondContact O-N 3.11Å; S184-L187 VanDerWaalsContact O-N 3.15Å; S184-K188 WeakPolarHBondContact O-CG 3.21Å; S184-K188 PolarHBondContact O-N 3.18Å
185	D	88.8	Confident	89.7	Confident	40 Å²	40	43.5 Å²	43.5	21%	0.214	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-26.8	175	-52.3	-46.3	0	0	0	112.1	M140 K142 N183 L187 K188 I189	M140-D185 HydrophobicContact CE-CB 3.88Å; M140-D185 HydrophobicContact SD-CB 4.04Å; K142-D185 VanDerWaalsContact CE-OD1 3.3Å; K142-D185 WeakPolarHBondContact CE-OD1 3.35Å; K142-D185 VanDerWaalsContact CE-OD2 3.25Å; K142-D185 WeakPolarHBondContact CE-OD2 3.34Å; K142-D185 IonicContact NZ-OD1 3.29Å; K142-D185 PolarHBondContact NZ-OD1 2.97Å; K142-D185 IonicContact NZ-OD2 3.49Å; K142-D185 PolarHBondContact NZ-OD2 2.9Å; N183-D185 PolarHBondContact O-N 2.71Å; N183-D185 VanDerWaalsContact O-N 3.14Å; D185-L187 VanDerWaalsContact C-N 3.35Å; D185-L187 PolarHBondContact O-N 2.73Å; D185-K188 IonicContact OD1-NZ 3.44Å; D185-I189 WeakPolarHBondContact O-CG2 3.44Å; D185-I189 PolarHBondContact O-N 3.31Å; D185-I189 VanDerWaalsContact O-N 3.1Å
186	A	92.3	Very high	89.2	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-41.4	174.4	0	0	0	0	0	112.2	A173 S184 A190	A173-A186 HydrophobicContact CB-CB 4.16Å; S184-A186 PolarHBondContact O-N 2.87Å; S184-A186 WeakPolarHBondContact OG-CB 3.47Å; S184-A186 PolarHBondContact OG-N 3.44Å; A186-A190 VanDerWaalsContact O-CB 3.27Å; A186-A190 WeakPolarHBondContact O-CB 3.1Å; A186-A190 PolarHBondContact O-N 3.27Å
187	L	92.3	Very high	89	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-86.2	-28.3	-177.5	-67.4	167.3	0	0	0	112.1	A173 L181 S184 D185 K191 L225 L227 Y231	A173-L187 HydrophobicContact CB-CD2 3.68Å; A173-L187 HydrophobicContact CB-CG 4.29Å; L181-L187 HydrophobicContact CD1-CD1 3.37Å; L181-L187 HydrophobicContact CG-CD1 3.81Å; S184-L187 PolarHBondContact O-N 3.11Å; S184-L187 VanDerWaalsContact O-N 3.15Å; D185-L187 VanDerWaalsContact C-N 3.35Å; D185-L187 PolarHBondContact O-N 2.73Å; L187-K191 WeakPolarHBondContact O-CB 3.49Å; L187-K191 WeakPolarHBondContact O-CG 3.46Å; L187-K191 PolarHBondContact O-N 2.79Å; L187-L225 HydrophobicContact CD1-CD2 4.32Å; L187-L227 HydrophobicContact CD2-CD1 4.16Å; L187-Y231 HydrophobicContact CD1-CE1 4.28Å
188	K	91.1	Very high	88.8	Confident	83 Å²	83	51.2 Å²	51.2	36%	0.361	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-57.7	169.8	-70.4	167.7	-176.1	165.4	0	110.9	A182 N183 S184 D185 A190 K191 E192	A182-K188 WeakPolarHBondContact O-CE 3.36Å; N183-K188 PolarHBondContact O-NZ 2.96Å; S184-K188 WeakPolarHBondContact O-CG 3.21Å; S184-K188 PolarHBondContact O-N 3.18Å; D185-K188 IonicContact OD1-NZ 3.44Å; K188-A190 VanDerWaalsContact C-N 3.28Å; K188-A190 PolarHBondContact O-N 2.84Å; K188-K191 PolarHBondContact O-N 2.88Å; K188-K191 VanDerWaalsContact O-N 3.15Å; K188-E192 PolarHBondContact O-N 2.8Å
189	I	92.4	Very high	88.9	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-30.9	-178.7	-155	-177.7	0	0	0	112.4	M140 R157 L160 L161 I164 D185	M140-I189 HydrophobicContact CE-CG2 4.18Å; M140-I189 HydrophobicContact SD-CD1 4.47Å; M140-I189 HydrophobicContact SD-CG2 4.31Å; R157-I189 HydrophobicContact CG-CD1 4.15Å; L160-I189 HydrophobicContact CB-CD1 3.85Å; L160-I189 HydrophobicContact CD1-CD1 3.83Å; L160-I189 HydrophobicContact CG-CD1 4.48Å; L161-I189 HydrophobicContact CD2-CG1 4.46Å; I164-I189 HydrophobicContact CD1-CD1 4.03Å; I164-I189 HydrophobicContact CD1-CG1 3.97Å; I164-I189 HydrophobicContact CD1-CG2 4.16Å; D185-I189 WeakPolarHBondContact O-CG2 3.44Å; D185-I189 PolarHBondContact O-N 3.31Å; D185-I189 VanDerWaalsContact O-N 3.1Å
190	A	93.5	Very high	89.4	Confident	2 Å²	2	45.2 Å²	45.2	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-44.3	172.6	0	0	0	0	0	112.2	I171 A186 K188 E192 V193 D194 T200	I171-A190 HydrophobicContact CD1-CB 4.44Å; I171-A190 HydrophobicContact CG2-CB 4Å; A186-A190 VanDerWaalsContact O-CB 3.27Å; A186-A190 WeakPolarHBondContact O-CB 3.1Å; A186-A190 PolarHBondContact O-N 3.27Å; K188-A190 VanDerWaalsContact C-N 3.28Å; K188-A190 PolarHBondContact O-N 2.84Å; A190-E192 VanDerWaalsContact C-N 3.26Å; A190-E192 PolarHBondContact O-N 3.06Å; A190-V193 WeakPolarHBondContact O-CG2 3.29Å; A190-V193 PolarHBondContact O-N 3.13Å; A190-V193 VanDerWaalsContact O-N 3.17Å; A190-D194 WeakPolarHBondContact O-CA 3.46Å; A190-D194 PolarHBondContact O-N 3.02Å; A190-T200 HydrophobicContact CB-CG2 3.95Å
191	K	90.8	Very high	90	Very high	82 Å²	82	41 Å²	41	36%	0.357	22%	0.221	S	C	.	.	H	α-helix	trans	-62.5	-29	177.4	-88.5	-167.6	167.7	-166	0	114.1	L187 K188 V193 P195 L225	L187-K191 WeakPolarHBondContact O-CB 3.49Å; L187-K191 WeakPolarHBondContact O-CG 3.46Å; L187-K191 PolarHBondContact O-N 2.79Å; K188-K191 PolarHBondContact O-N 2.88Å; K188-K191 VanDerWaalsContact O-N 3.15Å; K191-V193 VanDerWaalsContact C-N 3.27Å; K191-V193 PolarHBondContact O-N 3.31Å; K191-P195 VanDerWaalsContact O-CA 3.29Å; K191-P195 WeakPolarHBondContact O-CA 3.48Å; K191-P195 WeakPolarHBondContact O-CG 3.39Å; K191-L225 VanDerWaalsContact NZ-CD1 3.31Å
192	E	92.3	Very high	90.6	Very high	102 Å²	102	40.7 Å²	40.7	48%	0.477	22%	0.219	S	C	.	.	H	α-helix	trans	-65.8	-30.1	176.5	-68.8	171.8	-154.1	0	0	112.7	R157 K188 A190	R157-E192 IonicContact CZ-OE1 3.96Å; R157-E192 IonicContact CZ-OE2 2.74Å; R157-E192 IonicContact NH2-OE1 2.66Å; R157-E192 PolarHBondContact NH2-OE1 2.97Å; R157-E192 IonicContact NH2-OE2 2.68Å; R157-E192 PolarHBondContact NH2-OE2 3.23Å; K188-E192 PolarHBondContact O-N 2.8Å; A190-E192 VanDerWaalsContact C-N 3.26Å; A190-E192 PolarHBondContact O-N 3.06Å
193	V	93.3	Very high	91.3	Very high	31 Å²	31	37.1 Å²	37.1	19%	0.188	19%	0.189	C	C	.	.	H	α-helix	trans	-112.7	-12.3	-176.7	-57.8	0	0	0	0	114.3	L161 I164 V165 I171 A190 K191 R199	L161-V193 HydrophobicContact CD2-CG1 3.73Å; I164-V193 HydrophobicContact CB-CG2 4.29Å; I164-V193 HydrophobicContact CD1-CG2 3.98Å; I164-V193 HydrophobicContact CG1-CG1 4.38Å; I164-V193 HydrophobicContact CG1-CG2 3.96Å; V165-V193 HydrophobicContact CG2-CG1 3.8Å; I171-V193 HydrophobicContact CD1-CG2 3.48Å; I171-V193 VanDerWaalsContact CD1-CG2 3.48Å; A190-V193 WeakPolarHBondContact O-CG2 3.29Å; A190-V193 PolarHBondContact O-N 3.13Å; A190-V193 VanDerWaalsContact O-N 3.17Å; K191-V193 VanDerWaalsContact C-N 3.27Å; K191-V193 PolarHBondContact O-N 3.31Å; V193-R199 PolarHBondContact O-NH2 3.47Å
194	D	93.6	Very high	91.8	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.053	17%	0.165	C	C	.	.			trans	-142.7	68.2	176	-179.4	28.4	0	0	0	110	I171 A190 Q196 G197 L198 R199 T200	I171-D194 HydrophobicContact CD1-CB 4.37Å; A190-D194 WeakPolarHBondContact O-CA 3.46Å; A190-D194 PolarHBondContact O-N 3.02Å; D194-Q196 PolarHBondContact O-N 2.65Å; D194-Q196 VanDerWaalsContact O-N 3.15Å; D194-G197 PolarHBondContact O-N 2.77Å; D194-G197 PolarHBondContact OD1-N 2.66Å; D194-G197 VanDerWaalsContact OD2-CA 3.27Å; D194-G197 WeakPolarHBondContact OD2-CA 3.35Å; D194-L198 VanDerWaalsContact CG-N 3.31Å; D194-L198 PolarHBondContact OD1-N 2.67Å; D194-L198 PolarHBondContact OD2-N 2.8Å; D194-R199 HydrophobicContact CB-CG 3.98Å; D194-R199 WeakPolarHBondContact OD2-CG 3.45Å; D194-R199 PolarHBondContact OD2-N 3Å; D194-T200 WeakPolarHBondContact OD2-CB 3.42Å; D194-T200 PolarHBondContact OD2-N 3.1Å; D194-T200 PolarHBondContact OD2-OG1 3.04Å
195	P	90.1	Very high	92.1	Very high	95 Å²	95	32 Å²	32	62%	0.617	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-31.2	-173.2	-23.8	32.9	0	0	0	114	K191	K191-P195 VanDerWaalsContact O-CA 3.29Å; K191-P195 WeakPolarHBondContact O-CA 3.48Å; K191-P195 WeakPolarHBondContact O-CG 3.39Å
196	Q	85.1	Confident	92.3	Very high	136 Å²	136	32.8 Å²	32.8	64%	0.636	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	2.1	179.7	-69	179	-1.7	0	0	113.5	D194 L198	D194-Q196 PolarHBondContact O-N 2.65Å; D194-Q196 VanDerWaalsContact O-N 3.15Å; Q196-L198 VanDerWaalsContact C-N 3.25Å; Q196-L198 HydrophobicContact CB-CD1 4.32Å; Q196-L198 HydrophobicContact CB-CD2 3.93Å; Q196-L198 HydrophobicContact CB-CG 3.75Å; Q196-L198 PolarHBondContact O-N 3.41Å
197	G	88.3	Confident	92.3	Very high	4 Å²	4	33 Å²	33	4%	0.041	16%	0.164	C	C	.	.			trans	58.8	31.2	178.5	0	0	0	0	0	114.4	D194 R228	D194-G197 PolarHBondContact O-N 2.77Å; D194-G197 PolarHBondContact OD1-N 2.66Å; D194-G197 VanDerWaalsContact OD2-CA 3.27Å; D194-G197 WeakPolarHBondContact OD2-CA 3.35Å; G197-R228 VanDerWaalsContact O-CB 3.24Å; G197-R228 WeakPolarHBondContact O-CB 3.37Å; G197-R228 PolarHBondContact O-N 2.74Å
198	L	87.2	Confident	92.2	Very high	53 Å²	53	35.5 Å²	35.5	28%	0.277	18%	0.177	S	C	.	.	S	Bend	trans	-75.8	-27.8	-174.3	-57	-175.9	0	0	0	113.1	D194 Q196 R229	D194-L198 VanDerWaalsContact CG-N 3.31Å; D194-L198 PolarHBondContact OD1-N 2.67Å; D194-L198 PolarHBondContact OD2-N 2.8Å; Q196-L198 VanDerWaalsContact C-N 3.25Å; Q196-L198 HydrophobicContact CB-CD1 4.32Å; Q196-L198 HydrophobicContact CB-CD2 3.93Å; Q196-L198 HydrophobicContact CB-CG 3.75Å; Q196-L198 PolarHBondContact O-N 3.41Å; L198-R229 VanDerWaalsContact O-CZ 3.25Å; L198-R229 PolarHBondContact O-NE 3.42Å; L198-R229 PolarHBondContact O-NH2 3.47Å
199	R	91.9	Very high	92.2	Very high	20 Å²	20	36.1 Å²	36.1	8%	0.075	18%	0.184	C	C	.	.	S	Bend	trans	-123.9	-3.4	-177	57.5	-171.9	-175.8	98.1	0.5	113.2	I164 K166 E167 C169 L170 I171 V193 D194	I164-R199 VanDerWaalsContact O-CZ 3.27Å; I164-R199 PolarHBondContact O-NH1 3.22Å; I164-R199 PolarHBondContact O-NH2 3.3Å; K166-R199 PolarHBondContact O-NH1 3.37Å; E167-R199 WeakPolarHBondContact O-CD 3.37Å; C169-R199 WeakPolarHBondContact O-CD 3.33Å; C169-R199 PolarHBondContact O-NH1 3.16Å; L170-R199 WeakPolarHBondContact CA-O 3.37Å; L170-R199 HydrophobicContact CD2-CB 3.96Å; I171-R199 PolarHBondContact N-O 3.41Å; V193-R199 PolarHBondContact O-NH2 3.47Å; D194-R199 HydrophobicContact CB-CG 3.98Å; D194-R199 WeakPolarHBondContact OD2-CG 3.45Å; D194-R199 PolarHBondContact OD2-N 3Å
200	T	94.3	Very high	92.1	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.5	173.1	-55.8	0	0	0	0	112.4	I171 A173 A190 D194 L227	I171-T200 CarbonylContact O-C 3.54Å; I171-T200 WeakPolarHBondContact O-CA 3.3Å; A173-T200 HydrophobicContact CB-CG2 4.02Å; A190-T200 HydrophobicContact CB-CG2 3.95Å; D194-T200 WeakPolarHBondContact OD2-CB 3.42Å; D194-T200 PolarHBondContact OD2-N 3.1Å; D194-T200 PolarHBondContact OD2-OG1 3.04Å; T200-L227 HydrophobicContact CG2-CD1 4.09Å; T200-L227 HydrophobicContact CG2-CD2 4.12Å
201	I	94.9	Very high	91.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.7	175.2	-57.2	173.1	0	0	0	107.2	I171 L172 A173 R229 L281 Q284	I171-I201 PolarHBondContact O-N 2.84Å; L172-I201 HydrophobicContact CD1-CB 3.88Å; L172-I201 HydrophobicContact CD1-CG2 3.83Å; A173-I201 PolarHBondContact N-O 3.37Å; I201-R229 HydrophobicContact CG1-CB 3.81Å; I201-R229 HydrophobicContact CG1-CG 4.36Å; I201-L281 HydrophobicContact CD1-CD2 3.66Å; I201-L281 HydrophobicContact CG2-CD2 4.5Å; I201-Q284 HydrophobicContact CD1-CB 4.12Å; I201-Q284 HydrophobicContact CD1-CG 4.23Å
202	G	95	Very high	91.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	133.1	178.4	0	0	0	0	0	112.2	G230 Y231 I232	G202-G230 PolarHBondContact N-O 3.21Å; G202-Y231 CarbonylContact O-C 3.57Å; G202-Y231 WeakPolarHBondContact O-CA 3.21Å; G202-I232 PolarHBondContact O-N 2.88Å
203	V	96.3	Very high	91	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.4	170.7	175.1	0	0	0	0	109.4	V47 L172 A173 V174 T175 T205 I232 V234 L277	V47-V203 HydrophobicContact CG2-CG1 4.48Å; L172-V203 HydrophobicContact CD1-CG2 3.41Å; L172-V203 VanDerWaalsContact CD1-CG2 3.41Å; L172-V203 HydrophobicContact CD2-CG2 4.41Å; L172-V203 HydrophobicContact CG-CG2 3.89Å; A173-V203 PolarHBondContact O-N 3.16Å; V174-V203 HydrophobicContact CG2-CB 4.34Å; T175-V203 PolarHBondContact N-O 2.89Å; V203-T205 HydrophobicContact CG1-CG2 4.14Å; V203-I232 WeakPolarHBondContact CA-O 3.25Å; V203-V234 HydrophobicContact CG1-CG2 3.8Å; V203-L277 HydrophobicContact CG1-CD2 4.08Å; V203-L277 HydrophobicContact CG2-CD1 3.76Å; V203-L277 HydrophobicContact CG2-CD2 3.8Å; V203-L277 HydrophobicContact CG2-CG 4.47Å
204	I	95.8	Very high	90.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	112.1	-179.8	-54.1	-57	0	0	0	109.2	T175 A177 L181 L207 I219 L220 Y231 I232 G233 V234	T175-I204 CarbonylContact O-C 3.6Å; T175-I204 VanDerWaalsContact O-CA 3.3Å; T175-I204 WeakPolarHBondContact O-CA 3.2Å; A177-I204 HydrophobicContact CB-CG2 3.69Å; L181-I204 HydrophobicContact CD1-CD1 4.13Å; I204-L207 HydrophobicContact CG2-CD1 4.4Å; I204-L207 HydrophobicContact CG2-CD2 3.81Å; I204-L207 HydrophobicContact CG2-CG 4.06Å; I204-I219 HydrophobicContact CD1-CG2 3.84Å; I204-I219 HydrophobicContact CG1-CG2 3.96Å; I204-L220 HydrophobicContact CB-CD2 4.03Å; I204-L220 HydrophobicContact CG1-CD2 3.91Å; I204-Y231 HydrophobicContact CD1-CD1 3.75Å; I204-Y231 HydrophobicContact CD1-CE1 4.17Å; I204-Y231 HydrophobicContact CG1-CD1 3.9Å; I204-I232 PolarHBondContact N-O 3.1Å; I204-G233 CarbonylContact O-C 3.53Å; I204-G233 WeakPolarHBondContact O-CA 3.46Å; I204-V234 PolarHBondContact O-N 3.43Å
205	T	94.9	Very high	90.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	171	-179.7	70.4	0	0	0	0	111.2	A42 V47 V174 T175 P176 A177 V203 L207 V234	A42-T205 WeakPolarHBondContact O-CG2 3.32Å; A42-T205 PolarHBondContact O-OG1 3.26Å; V47-T205 HydrophobicContact CG2-CG2 4.17Å; V174-T205 HydrophobicContact CG1-CG2 3.56Å; T175-T205 PolarHBondContact O-N 2.99Å; P176-T205 WeakPolarHBondContact CA-OG1 3.33Å; A177-T205 VanDerWaalsContact CB-O 3.3Å; A177-T205 WeakPolarHBondContact CB-O 3.42Å; A177-T205 PolarHBondContact N-O 2.96Å; V203-T205 HydrophobicContact CG1-CG2 4.14Å; T205-L207 VanDerWaalsContact C-N 3.28Å; T205-L207 PolarHBondContact O-N 2.67Å; T205-V234 HydrophobicContact CG2-CG2 3.81Å
206	K	92.9	Very high	90.7	Very high	56 Å²	56	49.8 Å²	49.8	24%	0.243	28%	0.275	C	S	.	.			trans	58.4	31.2	172.4	-52.9	-175.3	-167.4	172.7	0	115.2	S41 P176 D208 L209	S41-K206 VanDerWaalsContact O-CE 3.25Å; S41-K206 WeakPolarHBondContact O-CE 3.47Å; S41-K206 PolarHBondContact O-NZ 3.48Å; P176-K206 HydrophobicContact CB-CB 4.42Å; P176-K206 HydrophobicContact CB-CD 3.81Å; P176-K206 HydrophobicContact CB-CG 4.24Å; K206-D208 VanDerWaalsContact C-OD1 3.29Å; K206-D208 VanDerWaalsContact CA-OD1 3.28Å; K206-D208 WeakPolarHBondContact CA-OD1 3.44Å; K206-D208 PolarHBondContact O-N 2.91Å; K206-L209 HydrophobicContact CB-CB 4.32Å; K206-L209 HydrophobicContact CB-CD1 4.28Å; K206-L209 HydrophobicContact CD-CD1 4.26Å; K206-L209 HydrophobicContact CG-CD1 4.33Å; K206-L209 PolarHBondContact O-N 2.96Å
207	L	92.5	Very high	91.1	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17	176.4	-71.9	159.4	0	0	0	113.1	A177 I204 T205 M210 A216 L220 G233 V235 F258 F259 Y265	A177-L207 HydrophobicContact CB-CD2 3.67Å; A177-L207 HydrophobicContact CB-CG 4.04Å; I204-L207 HydrophobicContact CG2-CD1 4.4Å; I204-L207 HydrophobicContact CG2-CD2 3.81Å; I204-L207 HydrophobicContact CG2-CG 4.06Å; T205-L207 VanDerWaalsContact C-N 3.28Å; T205-L207 PolarHBondContact O-N 2.67Å; L207-M210 HydrophobicContact CD2-SD 4.13Å; L207-A216 HydrophobicContact CD2-CB 3.6Å; L207-L220 HydrophobicContact CD1-CD1 4.17Å; L207-L220 HydrophobicContact CD2-CD1 4.17Å; L207-G233 VanDerWaalsContact CD1-CA 3.5Å; L207-V235 HydrophobicContact CB-CG2 4.29Å; L207-F258 HydrophobicContact CB-CE1 4Å; L207-F258 HydrophobicContact CB-CZ 4.1Å; L207-F258 WeakPolarHBondContact O-CZ 3.43Å; L207-F259 HydrophobicContact CD1-CE1 3.91Å; L207-F259 HydrophobicContact CD1-CZ 3.77Å; L207-Y265 HydrophobicContact CB-CE2 4.46Å; L207-Y265 HydrophobicContact CD2-CE2 4.31Å
208	D	90.6	Very high	91.2	Very high	61 Å²	61	51.8 Å²	51.8	33%	0.326	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-9.5	173.2	59.5	-56.6	0	0	0	114.2	K206 V235 F258	K206-D208 VanDerWaalsContact C-OD1 3.29Å; K206-D208 VanDerWaalsContact CA-OD1 3.28Å; K206-D208 WeakPolarHBondContact CA-OD1 3.44Å; K206-D208 PolarHBondContact O-N 2.91Å; D208-V235 HydrophobicContact CB-CG1 4Å; D208-F258 HydrophobicContact CB-CE2 4.31Å
209	L	90.1	Very high	91.4	Very high	96 Å²	96	50.3 Å²	50.3	50%	0.503	27%	0.274	S	S	.	.	S	Bend	trans	-118.6	28.5	-177.7	-55.3	177.1	0	0	0	112.2	N178 K206	N178-L209 WeakPolarHBondContact CB-O 3.29Å; K206-L209 HydrophobicContact CB-CB 4.32Å; K206-L209 HydrophobicContact CB-CD1 4.28Å; K206-L209 HydrophobicContact CD-CD1 4.26Å; K206-L209 HydrophobicContact CG-CD1 4.33Å; K206-L209 PolarHBondContact O-N 2.96Å
210	M	90.8	Very high	91.4	Very high	40 Å²	40	49.9 Å²	49.9	20%	0.197	27%	0.273	C	S	.	.	S	Bend	trans	-84.4	152.8	170.4	-61.2	-168.9	71.4	0	0	110.7	A177 L207 D215 A216	A177-M210 HydrophobicContact CB-CE 4.49Å; A177-M210 HydrophobicContact CB-CG 3.83Å; A177-M210 HydrophobicContact CB-SD 3.73Å; L207-M210 HydrophobicContact CD2-SD 4.13Å; M210-D215 VanDerWaalsContact CE-C 3.48Å; M210-A216 HydrophobicContact CE-CB 4.12Å; M210-A216 HydrophobicContact SD-CB 3.89Å
211	D	87.6	Confident	91.3	Very high	130 Å²	130	52.1 Å²	52.1	70%	0.695	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-67.2	141.5	178.7	-62.9	-51.4	0	0	0	111.3	G213 T214	D211-G213 PolarHBondContact O-N 3.14Å; D211-T214 HydrophobicContact CB-CG2 4.24Å; D211-T214 PolarHBondContact N-OG1 3.47Å; D211-T214 WeakPolarHBondContact O-CB 3.34Å; D211-T214 PolarHBondContact O-N 3.45Å; D211-T214 PolarHBondContact O-OG1 3.22Å
212	E	83	Confident	91.2	Very high	204 Å²	204	54.2 Å²	54.2	95%	0.953	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	125.3	-177.8	-68.3	-166.1	156.9	0	0	111.7
213	G	82.5	Confident	90.8	Very high	89 Å²	89	60 Å²	60	92%	0.918	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.6	-4.1	-174	0	0	0	0	0	114.8	D211	D211-G213 PolarHBondContact O-N 3.14Å
214	T	88.7	Confident	90.3	Very high	71 Å²	71	64.5 Å²	64.5	44%	0.436	34%	0.343	S	S	.	.			trans	-103.3	153.5	170.3	71.1	0	0	0	0	111.7	D211	D211-T214 HydrophobicContact CB-CG2 4.24Å; D211-T214 PolarHBondContact N-OG1 3.47Å; D211-T214 WeakPolarHBondContact O-CB 3.34Å; D211-T214 PolarHBondContact O-N 3.45Å; D211-T214 PolarHBondContact O-OG1 3.22Å
215	D	90.6	Very high	89.8	Confident	75 Å²	75	65.4 Å²	65.4	40%	0.401	35%	0.348	S	S	.	.			trans	-148	163.5	169.7	76.8	52.4	0	0	0	111.5	M210 R217 A264 Y265	M210-D215 VanDerWaalsContact CE-C 3.48Å; D215-R217 WeakPolarHBondContact OD1-CA 3.49Å; D215-R217 WeakPolarHBondContact OD1-CB 3.26Å; D215-R217 PolarHBondContact OD1-N 3.3Å; D215-A264 HydrophobicContact CB-CB 3.92Å; D215-A264 WeakPolarHBondContact OD2-CB 3.46Å; D215-Y265 HydrophobicContact CB-CE1 4.17Å
216	A	92.4	Very high	89.5	Confident	3 Å²	3	66.6 Å²	66.6	3%	0.025	36%	0.356	C	S	.	.			trans	-99.7	22	179.8	0	0	0	0	0	112.8	L207 M210 D218 I219 L220 Y265	L207-A216 HydrophobicContact CD2-CB 3.6Å; M210-A216 HydrophobicContact CE-CB 4.12Å; M210-A216 HydrophobicContact SD-CB 3.89Å; A216-D218 PolarHBondContact O-N 3.11Å; A216-I219 HydrophobicContact CB-CD1 4.23Å; A216-I219 WeakPolarHBondContact O-CB 3.39Å; A216-I219 PolarHBondContact O-N 3.42Å; A216-I219 VanDerWaalsContact O-N 3.09Å; A216-L220 PolarHBondContact O-N 3.48Å; A216-Y265 PolarHBondContact N-OH 3.38Å
217	R	92.4	Very high	89.4	Confident	96 Å²	96	64.4 Å²	64.4	36%	0.362	35%	0.346	S	S	.	.	H	α-helix	trans	-61.3	-43.4	-168.5	-178.9	-178.4	171.1	-166.5	-6.4	113	D215 I219 L220 E221 Y265	D215-R217 WeakPolarHBondContact OD1-CA 3.49Å; D215-R217 WeakPolarHBondContact OD1-CB 3.26Å; D215-R217 PolarHBondContact OD1-N 3.3Å; R217-I219 PolarHBondContact O-N 2.97Å; R217-L220 CarbonylContact O-C 3.59Å; R217-L220 PolarHBondContact O-N 3.16Å; R217-E221 HydrophobicContact CG-CG 4.14Å; R217-E221 IonicContact CZ-OE1 3.67Å; R217-E221 IonicContact NE-OE1 2.67Å; R217-E221 PolarHBondContact NE-OE1 3.32Å; R217-E221 IonicContact NE-OE2 3.06Å; R217-E221 IonicContact NH2-OE1 3.79Å; R217-E221 PolarHBondContact NH2-OE1 3.04Å; R217-E221 IonicContact NH2-OE2 3.83Å; R217-E221 WeakPolarHBondContact O-CB 3.33Å; R217-E221 WeakPolarHBondContact O-CG 3.38Å; R217-E221 PolarHBondContact O-N 3.18Å; R217-Y265 HydrophobicContact CB-CE1 4.41Å
218	D	90.2	Very high	89.2	Confident	86 Å²	86	67.5 Å²	67.5	46%	0.46	36%	0.358	S	S	.	.	H	α-helix	trans	-70.8	-16.3	179.7	-71.9	-35.6	0	0	0	113.2	A216 K223 L224	A216-D218 PolarHBondContact O-N 3.11Å; D218-K223 HydrophobicContact CB-CB 4.4Å; D218-K223 HydrophobicContact CB-CD 4.13Å; D218-K223 WeakPolarHBondContact O-CB 3.41Å; D218-K223 PolarHBondContact O-N 3.48Å; D218-K223 WeakPolarHBondContact OD1-CD 3.32Å; D218-K223 WeakPolarHBondContact OD1-CE 3.48Å; D218-K223 IonicContact OD1-NZ 2.84Å; D218-K223 PolarHBondContact OD1-NZ 3.1Å; D218-L224 PolarHBondContact O-N 3.43Å; D218-L224 VanDerWaalsContact O-N 3.11Å
219	I	92	Very high	89.2	Confident	22 Å²	22	66.4 Å²	66.4	11%	0.113	35%	0.349	C	S	.	.	H	α-helix	trans	-77.4	-51.5	167.9	-50.8	176.9	0	0	0	109.3	L181 I204 A216 R217 E221 N222 L224 Y231	L181-I219 HydrophobicContact CB-CD1 4.12Å; L181-I219 HydrophobicContact CD1-CD1 4.33Å; L181-I219 HydrophobicContact CD1-CG2 3.97Å; L181-I219 HydrophobicContact CD2-CD1 4.31Å; L181-I219 HydrophobicContact CD2-CG1 4.13Å; L181-I219 HydrophobicContact CD2-CG2 3.86Å; L181-I219 HydrophobicContact CG-CD1 4.5Å; I204-I219 HydrophobicContact CD1-CG2 3.84Å; I204-I219 HydrophobicContact CG1-CG2 3.96Å; A216-I219 HydrophobicContact CB-CD1 4.23Å; A216-I219 WeakPolarHBondContact O-CB 3.39Å; A216-I219 PolarHBondContact O-N 3.42Å; A216-I219 VanDerWaalsContact O-N 3.09Å; R217-I219 PolarHBondContact O-N 2.97Å; I219-E221 VanDerWaalsContact C-N 3.3Å; I219-E221 PolarHBondContact O-N 3.37Å; I219-N222 WeakPolarHBondContact O-CA 3.14Å; I219-N222 PolarHBondContact O-N 2.93Å; I219-L224 HydrophobicContact CD1-CD2 4.42Å; I219-L224 HydrophobicContact CG1-CB 4.48Å; I219-L224 HydrophobicContact CG1-CD2 3.96Å; I219-Y231 HydrophobicContact CG2-CD1 3.89Å; I219-Y231 HydrophobicContact CG2-CD2 4.41Å; I219-Y231 HydrophobicContact CG2-CE1 4.04Å; I219-Y231 HydrophobicContact CG2-CG 4.09Å; I219-Y231 VanDerWaalsContact O-CD2 3.25Å; I219-Y231 WeakPolarHBondContact O-CD2 3.18Å
220	L	92.8	Very high	89.3	Confident	10 Å²	10	62.5 Å²	62.5	5%	0.052	33%	0.332	C	S	.	.	H	α-helix	trans	-69.5	-23.2	-178.5	-63.1	-180	0	0	0	114	I204 L207 A216 R217 N222 Y265 I268 M272	I204-L220 HydrophobicContact CB-CD2 4.03Å; I204-L220 HydrophobicContact CG1-CD2 3.91Å; L207-L220 HydrophobicContact CD1-CD1 4.17Å; L207-L220 HydrophobicContact CD2-CD1 4.17Å; A216-L220 PolarHBondContact O-N 3.48Å; R217-L220 CarbonylContact O-C 3.59Å; R217-L220 PolarHBondContact O-N 3.16Å; L220-N222 VanDerWaalsContact C-N 3.27Å; L220-Y265 HydrophobicContact CD1-CD1 4.04Å; L220-Y265 HydrophobicContact CD1-CE1 3.94Å; L220-I268 HydrophobicContact CB-CD1 3.77Å; L220-I268 HydrophobicContact CD1-CD1 4.26Å; L220-M272 HydrophobicContact CB-CE 4.01Å; L220-M272 HydrophobicContact CB-SD 4.49Å; L220-M272 HydrophobicContact CD1-SD 4.07Å; L220-M272 HydrophobicContact CD2-CE 4.24Å; L220-M272 HydrophobicContact CD2-SD 3.96Å; L220-M272 HydrophobicContact CG-SD 4.4Å
221	E	92.2	Very high	89.5	Confident	50 Å²	50	61.1 Å²	61.1	23%	0.234	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	5.9	168.7	-69.4	-175.2	175.9	0	0	112.9	R217 I219 K223 H267	R217-E221 HydrophobicContact CG-CG 4.14Å; R217-E221 IonicContact CZ-OE1 3.67Å; R217-E221 IonicContact NE-OE1 2.67Å; R217-E221 PolarHBondContact NE-OE1 3.32Å; R217-E221 IonicContact NE-OE2 3.06Å; R217-E221 IonicContact NH2-OE1 3.79Å; R217-E221 PolarHBondContact NH2-OE1 3.04Å; R217-E221 IonicContact NH2-OE2 3.83Å; R217-E221 WeakPolarHBondContact O-CB 3.33Å; R217-E221 WeakPolarHBondContact O-CG 3.38Å; R217-E221 PolarHBondContact O-N 3.18Å; I219-E221 VanDerWaalsContact C-N 3.3Å; I219-E221 PolarHBondContact O-N 3.37Å; E221-K223 VanDerWaalsContact C-N 3.32Å; E221-K223 HydrophobicContact CB-CD 4.08Å; E221-K223 HydrophobicContact CB-CG 4.33Å; E221-K223 PolarHBondContact O-N 3.31Å; E221-K223 WeakPolarHBondContact OE2-CE 3.03Å; E221-K223 IonicContact OE2-NZ 2.69Å; E221-K223 PolarHBondContact OE2-NZ 3.1Å; E221-H267 IonicContact OE1-CD2 3.84Å; E221-H267 IonicContact OE1-CE1 2.7Å; E221-H267 PolarHBondContact OE1-CE1 3.12Å; E221-H267 IonicContact OE1-NE2 3.75Å; E221-H267 PolarHBondContact OE1-NE2 2.66Å
222	N	91.4	Very high	89.9	Confident	44 Å²	44	55.3 Å²	55.3	24%	0.235	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	30	175.2	-157.6	49.3	0	0	0	114.6	I219 L220 L227 Y231	I219-N222 WeakPolarHBondContact O-CA 3.14Å; I219-N222 PolarHBondContact O-N 2.93Å; L220-N222 VanDerWaalsContact C-N 3.27Å; N222-L227 PolarHBondContact ND2-O 3.46Å; N222-L227 PolarHBondContact OD1-N 3.4Å; N222-L227 PolarHBondContact OD1-O 3.34Å; N222-Y231 WeakPolarHBondContact OD1-CD2 3.43Å; N222-Y231 WeakPolarHBondContact OD1-CE2 3.39Å
223	K	88.2	Confident	90.5	Very high	120 Å²	120	45.6 Å²	45.6	52%	0.522	25%	0.248	S	C	.	.			trans	-94.1	-43.2	-177.2	-65.3	158.4	164.9	171.6	0	113.6	D218 E221	D218-K223 HydrophobicContact CB-CB 4.4Å; D218-K223 HydrophobicContact CB-CD 4.13Å; D218-K223 WeakPolarHBondContact O-CB 3.41Å; D218-K223 PolarHBondContact O-N 3.48Å; D218-K223 WeakPolarHBondContact OD1-CD 3.32Å; D218-K223 WeakPolarHBondContact OD1-CE 3.48Å; D218-K223 IonicContact OD1-NZ 2.84Å; D218-K223 PolarHBondContact OD1-NZ 3.1Å; E221-K223 VanDerWaalsContact C-N 3.32Å; E221-K223 HydrophobicContact CB-CD 4.08Å; E221-K223 HydrophobicContact CB-CG 4.33Å; E221-K223 PolarHBondContact O-N 3.31Å; E221-K223 WeakPolarHBondContact OE2-CE 3.03Å; E221-K223 IonicContact OE2-NZ 2.69Å; E221-K223 PolarHBondContact OE2-NZ 3.1Å
224	L	84.6	Confident	91.1	Very high	95 Å²	95	41.3 Å²	41.3	50%	0.497	20%	0.204	S	C	.	.	S	Bend	trans	-69.2	-45.2	-169	-179.1	62.4	0	0	0	112.6	L181 D218 I219	L181-L224 HydrophobicContact CB-CD2 4.2Å; L181-L224 HydrophobicContact CD2-CD2 4Å; L181-L224 HydrophobicContact CD2-CG 4.34Å; D218-L224 PolarHBondContact O-N 3.43Å; D218-L224 VanDerWaalsContact O-N 3.11Å; I219-L224 HydrophobicContact CD1-CD2 4.42Å; I219-L224 HydrophobicContact CG1-CB 4.48Å; I219-L224 HydrophobicContact CG1-CD2 3.96Å
225	L	86.3	Confident	91.4	Very high	21 Å²	21	38.8 Å²	38.8	11%	0.11	19%	0.189	C	C	.	.	S	Bend	trans	-140.1	100.8	172.8	169.2	56.4	0	0	0	107.1	L181 L187 K191 L227 Y231 W753	L181-L225 HydrophobicContact CD2-CB 3.84Å; L187-L225 HydrophobicContact CD1-CD2 4.32Å; K191-L225 VanDerWaalsContact NZ-CD1 3.31Å; L225-L227 PolarHBondContact O-N 2.87Å; L225-Y231 WeakPolarHBondContact O-CE2 3.26Å; L225-Y231 PolarHBondContact O-OH 3.37Å; L225-W753 HydrophobicContact CD1-CH2 3.89Å; L225-W753 HydrophobicContact CD1-CZ2 3.72Å
226	P	88.1	Confident	91.3	Very high	25 Å²	25	36.2 Å²	36.2	16%	0.162	18%	0.175	C	C	.	.			trans	-68.6	133.9	-174.1	23.7	-32.6	0	0	0	113	V749	P226-V749 HydrophobicContact CB-CB 3.93Å; P226-V749 HydrophobicContact CB-CG1 3.5Å; P226-V749 VanDerWaalsContact CB-CG1 3.5Å; P226-V749 HydrophobicContact CB-CG2 4.28Å; P226-V749 HydrophobicContact CG-CG1 4.11Å
227	L	90.9	Very high	91.1	Very high	9 Å²	9	36.9 Å²	36.9	5%	0.047	18%	0.177	C	C	.	.			trans	-115.1	143.9	164.7	-65.2	177.3	0	0	0	110	L187 T200 N222 L225 R229 G230 Y231	L187-L227 HydrophobicContact CD2-CD1 4.16Å; T200-L227 HydrophobicContact CG2-CD1 4.09Å; T200-L227 HydrophobicContact CG2-CD2 4.12Å; N222-L227 PolarHBondContact ND2-O 3.46Å; N222-L227 PolarHBondContact OD1-N 3.4Å; N222-L227 PolarHBondContact OD1-O 3.34Å; L225-L227 PolarHBondContact O-N 2.87Å; L227-R229 PolarHBondContact O-N 3.01Å; L227-G230 PolarHBondContact O-N 3.2Å; L227-G230 VanDerWaalsContact O-N 3.09Å; L227-Y231 HydrophobicContact CB-CE2 4.33Å; L227-Y231 HydrophobicContact CD1-CD1 4.47Å; L227-Y231 HydrophobicContact CD1-CE1 3.86Å; L227-Y231 HydrophobicContact CD1-CE2 3.88Å; L227-Y231 HydrophobicContact CG-CE2 3.9Å
228	R	88.4	Confident	90.8	Very high	70 Å²	70	34.1 Å²	34.1	26%	0.264	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.7	-180	-169.1	178.1	175.2	-159.6	-3.8	112.9	G197 P746	G197-R228 VanDerWaalsContact O-CB 3.24Å; G197-R228 WeakPolarHBondContact O-CB 3.37Å; G197-R228 PolarHBondContact O-N 2.74Å; R228-P746 VanDerWaalsContact CZ-O 3.29Å; R228-P746 PolarHBondContact NE-O 3.43Å; R228-P746 PolarHBondContact NH2-O 2.77Å
229	R	90	Very high	90.3	Very high	38 Å²	38	35.6 Å²	35.6	14%	0.143	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	3.4	176.2	-52.3	-172.2	-169.8	-137.3	12.3	113.4	L198 I201 L227	L198-R229 VanDerWaalsContact O-CZ 3.25Å; L198-R229 PolarHBondContact O-NE 3.42Å; L198-R229 PolarHBondContact O-NH2 3.47Å; I201-R229 HydrophobicContact CG1-CB 3.81Å; I201-R229 HydrophobicContact CG1-CG 4.36Å; L227-R229 PolarHBondContact O-N 3.01Å
230	G	92.6	Very high	89.9	Confident	14 Å²	14	43 Å²	43	14%	0.144	21%	0.208	C	C	.	.			trans	69.6	-167.1	175	0	0	0	0	0	115.5	G202 L227	G202-G230 PolarHBondContact N-O 3.21Å; L227-G230 PolarHBondContact O-N 3.2Å; L227-G230 VanDerWaalsContact O-N 3.09Å
231	Y	94.6	Very high	89.5	Confident	11 Å²	11	44.5 Å²	44.5	4%	0.043	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.1	177.2	-66.9	-94.3	0	0	0	111.3	L181 L187 G202 I204 I219 N222 L225 L227	L181-Y231 HydrophobicContact CD1-CE1 4.29Å; L187-Y231 HydrophobicContact CD1-CE1 4.28Å; G202-Y231 CarbonylContact O-C 3.57Å; G202-Y231 WeakPolarHBondContact O-CA 3.21Å; I204-Y231 HydrophobicContact CD1-CD1 3.75Å; I204-Y231 HydrophobicContact CD1-CE1 4.17Å; I204-Y231 HydrophobicContact CG1-CD1 3.9Å; I219-Y231 HydrophobicContact CG2-CD1 3.89Å; I219-Y231 HydrophobicContact CG2-CD2 4.41Å; I219-Y231 HydrophobicContact CG2-CE1 4.04Å; I219-Y231 HydrophobicContact CG2-CG 4.09Å; I219-Y231 VanDerWaalsContact O-CD2 3.25Å; I219-Y231 WeakPolarHBondContact O-CD2 3.18Å; N222-Y231 WeakPolarHBondContact OD1-CD2 3.43Å; N222-Y231 WeakPolarHBondContact OD1-CE2 3.39Å; L225-Y231 WeakPolarHBondContact O-CE2 3.26Å; L225-Y231 PolarHBondContact O-OH 3.37Å; L227-Y231 HydrophobicContact CB-CE2 4.33Å; L227-Y231 HydrophobicContact CD1-CD1 4.47Å; L227-Y231 HydrophobicContact CD1-CE1 3.86Å; L227-Y231 HydrophobicContact CD1-CE2 3.88Å; L227-Y231 HydrophobicContact CG-CE2 3.9Å
232	I	96.4	Very high	88.9	Confident	8 Å²	8	43.4 Å²	43.4	4%	0.041	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121	172.8	-58.7	168.4	0	0	0	108.7	G202 V203 I204 L277 T280	G202-I232 PolarHBondContact O-N 2.88Å; V203-I232 WeakPolarHBondContact CA-O 3.25Å; I204-I232 PolarHBondContact N-O 3.1Å; I232-L277 HydrophobicContact CB-CD1 4.19Å; I232-L277 HydrophobicContact CD1-CD1 3.73Å; I232-L277 HydrophobicContact CG2-CB 3.95Å; I232-L277 HydrophobicContact CG2-CD1 4.37Å; I232-T280 HydrophobicContact CD1-CG2 3.91Å
233	G	95.8	Very high	88.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	139.2	174.6	0	0	0	0	0	111.7	I204 L207 F259 M272 G273	I204-G233 CarbonylContact O-C 3.53Å; I204-G233 WeakPolarHBondContact O-CA 3.46Å; L207-G233 VanDerWaalsContact CD1-CA 3.5Å; G233-F259 WeakPolarHBondContact O-CZ 3.2Å; G233-M272 PolarHBondContact N-SD 2.89Å; G233-G273 WeakPolarHBondContact O-CA 3.45Å; G233-G273 PolarHBondContact O-N 3.47Å
234	V	95.3	Very high	88.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.			trans	-136.3	147.3	176.5	-62	0	0	0	0	111	V47 V203 I204 T205 E255 L277	V47-V234 HydrophobicContact CG2-CG2 4.06Å; V203-V234 HydrophobicContact CG1-CG2 3.8Å; I204-V234 PolarHBondContact O-N 3.43Å; T205-V234 HydrophobicContact CG2-CG2 3.81Å; V234-E255 WeakPolarHBondContact CA-OE1 3.28Å; V234-L277 HydrophobicContact CG1-CB 4.4Å; V234-L277 HydrophobicContact CG1-CD2 3.83Å
235	V	93.4	Very high	88	Confident	17 Å²	17	47.5 Å²	47.5	10%	0.103	25%	0.245	C	C	.	.			trans	-119.5	114.2	176.7	178.9	0	0	0	0	108.6	L207 D208 E255 F258 F259	L207-V235 HydrophobicContact CB-CG2 4.29Å; D208-V235 HydrophobicContact CB-CG1 4Å; V235-E255 HydrophobicContact CB-CB 4.24Å; V235-E255 HydrophobicContact CB-CG 4.04Å; V235-E255 PolarHBondContact N-OE1 3.25Å; V235-F258 HydrophobicContact CG2-CD1 3.58Å; V235-F258 HydrophobicContact CG2-CE1 3.79Å; V235-F258 HydrophobicContact CG2-CG 4.16Å; V235-F259 HydrophobicContact CG2-CE2 4.1Å; V235-F259 HydrophobicContact CG2-CZ 4.14Å
236	N	90.1	Very high	87.8	Confident	21 Å²	21	49.6 Å²	49.6	11%	0.112	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-92.5	169.1	-175.2	-65.8	-23.8	0	0	0	110.9	N50 S238	N50-N236 PolarHBondContact ND2-OD1 3.25Å; N236-S238 PolarHBondContact O-N 2.77Å
237	R	88.1	Confident	87.6	Confident	18 Å²	18	52.6 Å²	52.6	7%	0.068	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-63.6	131.1	166.3	-72.9	178.6	-68.4	156.8	12.3	109.3	D55 D241 I242 K246 I248 A251	D55-R237 IonicContact OD1-CZ 2.68Å; D55-R237 IonicContact OD1-NH1 2.68Å; D55-R237 IonicContact OD1-NH2 2.79Å; D55-R237 PolarHBondContact OD1-NH2 3.18Å; D55-R237 IonicContact OD2-CZ 3.42Å; D55-R237 IonicContact OD2-NH1 3.56Å; D55-R237 PolarHBondContact OD2-NH1 2.99Å; D55-R237 IonicContact OD2-NH2 3.6Å; D55-R237 PolarHBondContact OD2-NH2 2.85Å; R237-D241 HydrophobicContact CB-CB 3.79Å; R237-D241 HydrophobicContact CG-CB 4.15Å; R237-I242 HydrophobicContact CB-CG1 3.95Å; R237-K246 VanDerWaalsContact CD-O 3.22Å; R237-K246 WeakPolarHBondContact CD-O 3.33Å; R237-K246 HydrophobicContact CG-CD 4.45Å; R237-K246 PolarHBondContact NH1-O 2.63Å; R237-I248 VanDerWaalsContact CZ-CG1 3.4Å; R237-A251 HydrophobicContact CG-CB 3.49Å; R237-A251 VanDerWaalsContact CG-CB 3.49Å
238	S	84.4	Confident	87.2	Confident	38 Å²	38	52.6 Å²	52.6	27%	0.266	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-68.3	166.7	170.6	68.9	0	0	0	0	110.9	N236 K240 D241 I242	N236-S238 PolarHBondContact O-N 2.77Å; S238-K240 VanDerWaalsContact C-N 3.26Å; S238-K240 PolarHBondContact O-N 3.3Å; S238-D241 WeakPolarHBondContact CB-OD2 3.38Å; S238-D241 PolarHBondContact N-OD2 3.17Å; S238-D241 WeakPolarHBondContact O-CB 3.36Å; S238-D241 PolarHBondContact O-N 3.18Å; S238-D241 PolarHBondContact OG-N 2.9Å; S238-D241 PolarHBondContact OG-OD2 2.75Å; S238-I242 WeakPolarHBondContact O-CG1 3.2Å; S238-I242 PolarHBondContact O-N 3.39Å
239	Q	81.2	Confident	86.9	Confident	116 Å²	116	57.8 Å²	57.8	54%	0.542	29%	0.288	S	S	.	.	H	α-helix	trans	-57.1	-42.2	176.6	-170.1	60	49.3	0	0	111.6	D241 I242 D243	Q239-D241 VanDerWaalsContact C-N 3.28Å; Q239-D241 PolarHBondContact O-N 3Å; Q239-I242 WeakPolarHBondContact O-CB 3.35Å; Q239-I242 PolarHBondContact O-N 2.95Å; Q239-D243 PolarHBondContact NE2-OD1 3.44Å; Q239-D243 PolarHBondContact O-N 2.81Å
240	K	82.7	Confident	86.8	Confident	179 Å²	179	58.2 Å²	58.2	78%	0.778	30%	0.299	S	S	*	.	H	α-helix	trans	-60.8	-34.5	175.5	-62.7	-177.6	-178.7	177.8	0	113.1	S238 G244	S238-K240 VanDerWaalsContact C-N 3.26Å; S238-K240 PolarHBondContact O-N 3.3Å; K240-G244 PolarHBondContact O-N 2.96Å
241	D	83.9	Confident	86.6	Confident	41 Å²	41	58 Å²	58	22%	0.219	30%	0.296	C	S	.	.	H	α-helix	trans	-70.1	-35.5	174.6	-66.2	-53.3	0	0	0	112	R237 S238 Q239 K245 K246	R237-D241 HydrophobicContact CB-CB 3.79Å; R237-D241 HydrophobicContact CG-CB 4.15Å; S238-D241 WeakPolarHBondContact CB-OD2 3.38Å; S238-D241 PolarHBondContact N-OD2 3.17Å; S238-D241 WeakPolarHBondContact O-CB 3.36Å; S238-D241 PolarHBondContact O-N 3.18Å; S238-D241 PolarHBondContact OG-N 2.9Å; S238-D241 PolarHBondContact OG-OD2 2.75Å; Q239-D241 VanDerWaalsContact C-N 3.28Å; Q239-D241 PolarHBondContact O-N 3Å; D241-K245 PolarHBondContact O-N 2.77Å; D241-K246 HydrophobicContact CB-CB 4Å; D241-K246 HydrophobicContact CB-CD 3.58Å; D241-K246 VanDerWaalsContact CG-CD 3.45Å; D241-K246 WeakPolarHBondContact O-CB 3.29Å; D241-K246 PolarHBondContact O-N 2.99Å; D241-K246 WeakPolarHBondContact OD1-CD 3.36Å; D241-K246 WeakPolarHBondContact OD1-CE 3.43Å; D241-K246 IonicContact OD1-NZ 2.71Å; D241-K246 PolarHBondContact OD1-NZ 3.22Å; D241-K246 IonicContact OD2-NZ 2.9Å; D241-K246 PolarHBondContact OD2-NZ 3.34Å
242	I	80.9	Confident	86.2	Confident	26 Å²	26	59.9 Å²	59.9	13%	0.133	31%	0.307	C	S	.	.	H	α-helix	trans	-70.9	-48.6	177	-65.6	166.5	0	0	0	109.9	R237 S238 Q239 G244 K245	R237-I242 HydrophobicContact CB-CG1 3.95Å; S238-I242 WeakPolarHBondContact O-CG1 3.2Å; S238-I242 PolarHBondContact O-N 3.39Å; Q239-I242 WeakPolarHBondContact O-CB 3.35Å; Q239-I242 PolarHBondContact O-N 2.95Å; I242-G244 VanDerWaalsContact C-N 3.28Å; I242-G244 PolarHBondContact O-N 2.83Å; I242-K245 WeakPolarHBondContact O-CA 3.35Å; I242-K245 PolarHBondContact O-N 3.15Å
243	D	79.9	Confident	85.9	Confident	110 Å²	110	62.4 Å²	62.4	59%	0.588	33%	0.329	S	S	*	.	H	α-helix	trans	-59.8	-40.2	177	-55.7	-25.5	0	0	0	110.9	Q239 K245	Q239-D243 PolarHBondContact NE2-OD1 3.44Å; Q239-D243 PolarHBondContact O-N 2.81Å; D243-K245 PolarHBondContact O-N 2.92Å
244	G	82.1	Confident	85.7	Confident	60 Å²	60	64.5 Å²	64.5	62%	0.619	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	8	173	0	0	0	0	0	115.4	K240 I242 K246	K240-G244 PolarHBondContact O-N 2.96Å; I242-G244 VanDerWaalsContact C-N 3.28Å; I242-G244 PolarHBondContact O-N 2.83Å; G244-K246 VanDerWaalsContact C-N 3.27Å; G244-K246 PolarHBondContact O-N 2.94Å
245	K	81.8	Confident	85.6	Confident	175 Å²	175	64.6 Å²	64.6	76%	0.761	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	41.1	-179.2	-61.9	-163.9	175.1	-163.7	0	114.5	D241 I242 D243 D247	D241-K245 PolarHBondContact O-N 2.77Å; I242-K245 WeakPolarHBondContact O-CA 3.35Å; I242-K245 PolarHBondContact O-N 3.15Å; D243-K245 PolarHBondContact O-N 2.92Å; K245-D247 PolarHBondContact O-N 2.81Å
246	K	83.4	Confident	85.6	Confident	65 Å²	65	68.7 Å²	68.7	28%	0.283	36%	0.36	S	S	.	.			trans	-60.7	123.8	176.9	-174.5	-179.7	-171.6	176.2	0	110.6	R237 D241 G244	R237-K246 VanDerWaalsContact CD-O 3.22Å; R237-K246 WeakPolarHBondContact CD-O 3.33Å; R237-K246 HydrophobicContact CG-CD 4.45Å; R237-K246 PolarHBondContact NH1-O 2.63Å; D241-K246 HydrophobicContact CB-CB 4Å; D241-K246 HydrophobicContact CB-CD 3.58Å; D241-K246 VanDerWaalsContact CG-CD 3.45Å; D241-K246 WeakPolarHBondContact O-CB 3.29Å; D241-K246 PolarHBondContact O-N 2.99Å; D241-K246 WeakPolarHBondContact OD1-CD 3.36Å; D241-K246 WeakPolarHBondContact OD1-CE 3.43Å; D241-K246 IonicContact OD1-NZ 2.71Å; D241-K246 PolarHBondContact OD1-NZ 3.22Å; D241-K246 IonicContact OD2-NZ 2.9Å; D241-K246 PolarHBondContact OD2-NZ 3.34Å; G244-K246 VanDerWaalsContact C-N 3.27Å; G244-K246 PolarHBondContact O-N 2.94Å
247	D	84.3	Confident	85.8	Confident	89 Å²	89	75 Å²	75	48%	0.476	39%	0.387	S	S	.	.			trans	-57.1	144.7	176.1	167.8	60.9	0	0	0	112.3	K245 R249 A250 A251	K245-D247 PolarHBondContact O-N 2.81Å; D247-R249 WeakPolarHBondContact OD2-CA 3.43Å; D247-R249 WeakPolarHBondContact OD2-CB 3.47Å; D247-R249 PolarHBondContact OD2-N 2.86Å; D247-A250 HydrophobicContact CB-CB 4.3Å; D247-A250 WeakPolarHBondContact O-CB 3.37Å; D247-A250 PolarHBondContact O-N 2.76Å; D247-A250 PolarHBondContact OD2-N 3.36Å; D247-A251 PolarHBondContact O-N 2.84Å
248	I	81.1	Confident	86.1	Confident	8 Å²	8	76.1 Å²	76.1	4%	0.041	39%	0.392	C	S	.	.	H	α-helix	trans	-73.3	-29.1	-175.6	-67.6	163	0	0	0	111.3	R237 A251 L252	R237-I248 VanDerWaalsContact CZ-CG1 3.4Å; I248-A251 WeakPolarHBondContact O-CB 3.41Å; I248-A251 PolarHBondContact O-N 3.5Å; I248-L252 HydrophobicContact CG2-CD1 4.35Å; I248-L252 HydrophobicContact CG2-CG 4.4Å; I248-L252 VanDerWaalsContact O-CG 3.32Å; I248-L252 WeakPolarHBondContact O-CG 3.3Å; I248-L252 PolarHBondContact O-N 3.42Å
249	R	83.4	Confident	86.7	Confident	180 Å²	180	74.4 Å²	74.4	68%	0.679	38%	0.379	S	S	*	.	H	α-helix	trans	-68.8	-39.1	173.1	-50	175.1	170.6	174.8	-3.8	110.7	D247 A251 L252 A253	D247-R249 WeakPolarHBondContact OD2-CA 3.43Å; D247-R249 WeakPolarHBondContact OD2-CB 3.47Å; D247-R249 PolarHBondContact OD2-N 2.86Å; R249-A251 VanDerWaalsContact C-N 3.31Å; R249-A251 PolarHBondContact O-N 3.42Å; R249-L252 PolarHBondContact O-N 2.89Å; R249-A253 WeakPolarHBondContact O-CB 3.43Å; R249-A253 PolarHBondContact O-N 3.34Å
250	A	87.6	Confident	87.3	Confident	47 Å²	47	72.6 Å²	72.6	39%	0.388	37%	0.373	S	S	.	.	H	α-helix	trans	-63.5	-34.8	170.8	0	0	0	0	0	112.6	D247 A254	D247-A250 HydrophobicContact CB-CB 4.3Å; D247-A250 WeakPolarHBondContact O-CB 3.37Å; D247-A250 PolarHBondContact O-N 2.76Å; D247-A250 PolarHBondContact OD2-N 3.36Å; A250-A254 WeakPolarHBondContact O-CB 3.45Å; A250-A254 PolarHBondContact O-N 3.25Å
251	A	87.3	Confident	87.8	Confident	10 Å²	10	68 Å²	68	8%	0.083	36%	0.364	C	S	.	.	H	α-helix	trans	-67.4	-47	173.1	0	0	0	0	0	112.6	R237 D247 I248 R249 A253 A254 E255	R237-A251 HydrophobicContact CG-CB 3.49Å; R237-A251 VanDerWaalsContact CG-CB 3.49Å; D247-A251 PolarHBondContact O-N 2.84Å; I248-A251 WeakPolarHBondContact O-CB 3.41Å; I248-A251 PolarHBondContact O-N 3.5Å; R249-A251 VanDerWaalsContact C-N 3.31Å; R249-A251 PolarHBondContact O-N 3.42Å; A251-A253 VanDerWaalsContact C-N 3.29Å; A251-A253 PolarHBondContact O-N 2.78Å; A251-A254 CarbonylContact O-C 3.48Å; A251-A254 WeakPolarHBondContact O-CA 3.28Å; A251-A254 WeakPolarHBondContact O-CB 3.46Å; A251-A254 PolarHBondContact O-N 2.84Å; A251-E255 PolarHBondContact O-N 3.31Å
252	L	87.3	Confident	88.3	Confident	50 Å²	50	68.4 Å²	68.4	26%	0.262	36%	0.364	S	S	.	.	H	α-helix	trans	-61	-36.8	175.5	-69.9	173	0	0	0	112.2	I248 R249 R256 T274 P275	I248-L252 HydrophobicContact CG2-CD1 4.35Å; I248-L252 HydrophobicContact CG2-CG 4.4Å; I248-L252 VanDerWaalsContact O-CG 3.32Å; I248-L252 WeakPolarHBondContact O-CG 3.3Å; I248-L252 PolarHBondContact O-N 3.42Å; R249-L252 PolarHBondContact O-N 2.89Å; L252-R256 WeakPolarHBondContact O-CB 3.24Å; L252-R256 PolarHBondContact O-N 2.76Å; L252-T274 HydrophobicContact CD2-CG2 4.17Å; L252-P275 HydrophobicContact CD2-CG 4.16Å
253	A	89.3	Confident	88.8	Confident	61 Å²	61	72.7 Å²	72.7	50%	0.504	39%	0.393	S	S	.	.	H	α-helix	trans	-66.2	-37.9	172.6	0	0	0	0	0	112.3	R249 A251 K257	R249-A253 WeakPolarHBondContact O-CB 3.43Å; R249-A253 PolarHBondContact O-N 3.34Å; A251-A253 VanDerWaalsContact C-N 3.29Å; A251-A253 PolarHBondContact O-N 2.78Å; A253-K257 WeakPolarHBondContact O-CB 3.42Å; A253-K257 PolarHBondContact O-N 2.61Å
254	A	91.1	Very high	89.4	Confident	43 Å²	43	68 Å²	68	36%	0.355	37%	0.371	S	S	.	.	H	α-helix	trans	-68.7	-41.7	174.7	0	0	0	0	0	112.4	A250 A251 K257 F258	A250-A254 WeakPolarHBondContact O-CB 3.45Å; A250-A254 PolarHBondContact O-N 3.25Å; A251-A254 CarbonylContact O-C 3.48Å; A251-A254 WeakPolarHBondContact O-CA 3.28Å; A251-A254 WeakPolarHBondContact O-CB 3.46Å; A251-A254 PolarHBondContact O-N 2.84Å; A254-K257 WeakPolarHBondContact O-CB 3.36Å; A254-K257 PolarHBondContact O-N 3.45Å; A254-F258 WeakPolarHBondContact O-CB 3.26Å; A254-F258 PolarHBondContact O-N 2.87Å
255	E	94.3	Very high	90	Very high	3 Å²	3	65.2 Å²	65.2	1%	0.014	34%	0.341	C	S	.	.	H	α-helix	trans	-57.7	-49.8	172.3	177.4	-177.2	-123.5	0	0	111	V234 V235 A251 K257 F258 F259 G273 T274	V234-E255 WeakPolarHBondContact CA-OE1 3.28Å; V235-E255 HydrophobicContact CB-CB 4.24Å; V235-E255 HydrophobicContact CB-CG 4.04Å; V235-E255 PolarHBondContact N-OE1 3.25Å; A251-E255 PolarHBondContact O-N 3.31Å; E255-K257 VanDerWaalsContact C-N 3.31Å; E255-K257 PolarHBondContact O-N 3.14Å; E255-F258 WeakPolarHBondContact O-CB 3.49Å; E255-F258 PolarHBondContact O-N 3.39Å; E255-F259 HydrophobicContact CG-CD2 3.96Å; E255-F259 HydrophobicContact CG-CE2 3.74Å; E255-F259 VanDerWaalsContact O-CD2 3.3Å; E255-F259 WeakPolarHBondContact O-CD2 3.42Å; E255-F259 PolarHBondContact O-N 3.26Å; E255-F259 VanDerWaalsContact O-N 3.14Å; E255-G273 WeakPolarHBondContact OE1-CA 3.38Å; E255-G273 WeakPolarHBondContact OE2-CA 3.42Å; E255-T274 PolarHBondContact OE1-N 2.74Å; E255-T274 PolarHBondContact OE1-OG1 3.44Å; E255-T274 VanDerWaalsContact OE1-OG1 3.12Å; E255-T274 WeakPolarHBondContact OE2-CB 3.38Å; E255-T274 PolarHBondContact OE2-N 3.48Å; E255-T274 PolarHBondContact OE2-OG1 3.49Å
256	R	92.9	Very high	90.5	Very high	103 Å²	103	65.4 Å²	65.4	39%	0.389	34%	0.337	S	S	.	.	H	α-helix	trans	-63	-37	177.1	-176	57.3	175.5	179.4	2.7	112.2	L252 L260 A269	L252-R256 WeakPolarHBondContact O-CB 3.24Å; L252-R256 PolarHBondContact O-N 2.76Å; R256-L260 HydrophobicContact CG-CD1 4.12Å; R256-L260 VanDerWaalsContact O-CG 3.29Å; R256-L260 WeakPolarHBondContact O-CG 3.37Å; R256-L260 PolarHBondContact O-N 2.99Å; R256-A269 PolarHBondContact NH1-O 2.89Å
257	K	94.3	Very high	91	Very high	154 Å²	154	67.1 Å²	67.1	67%	0.67	35%	0.346	S	S	*	.	H	α-helix	trans	-63.1	-50	173.9	-174.6	-177.3	178.2	-174.6	0	110.9	A253 A254 E255 F259 L260 S261	A253-K257 WeakPolarHBondContact O-CB 3.42Å; A253-K257 PolarHBondContact O-N 2.61Å; A254-K257 WeakPolarHBondContact O-CB 3.36Å; A254-K257 PolarHBondContact O-N 3.45Å; E255-K257 VanDerWaalsContact C-N 3.31Å; E255-K257 PolarHBondContact O-N 3.14Å; K257-F259 PolarHBondContact O-N 2.93Å; K257-L260 PolarHBondContact O-N 3.45Å; K257-L260 VanDerWaalsContact O-N 3.15Å; K257-S261 PolarHBondContact O-N 3.38Å; K257-S261 PolarHBondContact O-OG 2.81Å
258	F	94.9	Very high	91.4	Very high	40 Å²	40	63 Å²	63	18%	0.175	32%	0.324	C	S	.	.	H	α-helix	trans	-51.4	-55.9	179.4	171.7	-93.9	0	0	0	111.5	L207 D208 V235 A254 E255 L260 S261 H262 Y265	L207-F258 HydrophobicContact CB-CE1 4Å; L207-F258 HydrophobicContact CB-CZ 4.1Å; L207-F258 WeakPolarHBondContact O-CZ 3.43Å; D208-F258 HydrophobicContact CB-CE2 4.31Å; V235-F258 HydrophobicContact CG2-CD1 3.58Å; V235-F258 HydrophobicContact CG2-CE1 3.79Å; V235-F258 HydrophobicContact CG2-CG 4.16Å; A254-F258 WeakPolarHBondContact O-CB 3.26Å; A254-F258 PolarHBondContact O-N 2.87Å; E255-F258 WeakPolarHBondContact O-CB 3.49Å; E255-F258 PolarHBondContact O-N 3.39Å; F258-L260 VanDerWaalsContact C-N 3.27Å; F258-L260 PolarHBondContact O-N 3.44Å; F258-S261 PolarHBondContact O-N 2.91Å; F258-S261 VanDerWaalsContact O-N 3.14Å; F258-S261 PolarHBondContact O-OG 3.5Å; F258-S261 VanDerWaalsContact O-OG 3.05Å; F258-H262 WeakPolarHBondContact O-CB 3.19Å; F258-H262 PolarHBondContact O-N 3.2Å; F258-Y265 AromaticContact CE1-CD2 3.82Å; F258-Y265 HydrophobicContact CE1-CD2 3.82Å; F258-Y265 AromaticContact CE1-CE2 3.92Å; F258-Y265 HydrophobicContact CE1-CE2 3.92Å; F258-Y265 HydrophobicContact CZ-CD2 4.18Å; F258-Y265 AromaticContact CZ-CE2 3.94Å; F258-Y265 HydrophobicContact CZ-CE2 3.94Å
259	F	95.9	Very high	91.9	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.009	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-30.2	-178.6	-75.1	-64.4	0	0	0	113.8	L207 G233 V235 E255 K257 Y265 R266 A269 M272	L207-F259 HydrophobicContact CD1-CE1 3.91Å; L207-F259 HydrophobicContact CD1-CZ 3.77Å; G233-F259 WeakPolarHBondContact O-CZ 3.2Å; V235-F259 HydrophobicContact CG2-CE2 4.1Å; V235-F259 HydrophobicContact CG2-CZ 4.14Å; E255-F259 HydrophobicContact CG-CD2 3.96Å; E255-F259 HydrophobicContact CG-CE2 3.74Å; E255-F259 VanDerWaalsContact O-CD2 3.3Å; E255-F259 WeakPolarHBondContact O-CD2 3.42Å; E255-F259 PolarHBondContact O-N 3.26Å; E255-F259 VanDerWaalsContact O-N 3.14Å; K257-F259 PolarHBondContact O-N 2.93Å; F259-Y265 HydrophobicContact CD1-CD2 4.19Å; F259-Y265 HydrophobicContact CD1-CG 4.38Å; F259-Y265 HydrophobicContact CE1-CD2 4.26Å; F259-R266 WeakPolarHBondContact O-CA 3.43Å; F259-A269 HydrophobicContact CB-CB 3.86Å; F259-M272 HydrophobicContact CD1-CB 3.77Å; F259-M272 HydrophobicContact CD1-CG 4.17Å; F259-M272 HydrophobicContact CD2-CB 4.03Å; F259-M272 HydrophobicContact CE1-CB 3.74Å; F259-M272 HydrophobicContact CE1-CG 4.07Å; F259-M272 HydrophobicContact CE2-CB 4Å; F259-M272 HydrophobicContact CG-CB 3.93Å; F259-M272 HydrophobicContact CZ-CB 3.87Å
260	L	94.4	Very high	92.3	Very high	79 Å²	79	61.3 Å²	61.3	41%	0.414	32%	0.324	S	S	.	.	H	α-helix	trans	-79.4	-29.2	176	-70.1	173	0	0	0	113.3	R256 K257 F258 R266 A269	R256-L260 HydrophobicContact CG-CD1 4.12Å; R256-L260 VanDerWaalsContact O-CG 3.29Å; R256-L260 WeakPolarHBondContact O-CG 3.37Å; R256-L260 PolarHBondContact O-N 2.99Å; K257-L260 PolarHBondContact O-N 3.45Å; K257-L260 VanDerWaalsContact O-N 3.15Å; F258-L260 VanDerWaalsContact C-N 3.27Å; F258-L260 PolarHBondContact O-N 3.44Å; L260-R266 WeakPolarHBondContact O-CD 3.49Å; L260-R266 WeakPolarHBondContact O-CG 3.31Å; L260-A269 HydrophobicContact CD2-CB 3.98Å
261	S	93.9	Very high	92.4	Very high	83 Å²	83	65.6 Å²	65.6	58%	0.58	33%	0.33	S	S	*	.	H	α-helix	trans	-86.8	-28.7	177.6	53.7	0	0	0	0	114.2	K257 F258	K257-S261 PolarHBondContact O-N 3.38Å; K257-S261 PolarHBondContact O-OG 2.81Å; F258-S261 PolarHBondContact O-N 2.91Å; F258-S261 VanDerWaalsContact O-N 3.14Å; F258-S261 PolarHBondContact O-OG 3.5Å; F258-S261 VanDerWaalsContact O-OG 3.05Å
262	H	93.3	Very high	92.8	Very high	49 Å²	49	65.6 Å²	65.6	23%	0.227	33%	0.328	C	S	.	.			trans	-73.7	121.7	-172.7	-163.6	-98.6	0	0	0	111.5	F258 A264 Y265 R266	F258-H262 WeakPolarHBondContact O-CB 3.19Å; F258-H262 PolarHBondContact O-N 3.2Å; H262-A264 VanDerWaalsContact C-N 3.3Å; H262-A264 PolarHBondContact O-N 3.05Å; H262-Y265 HydrophobicContact CB-CD2 3.82Å; H262-Y265 HydrophobicContact CB-CG 4.4Å; H262-Y265 AromaticContact CE1-CD2 3.9Å; H262-Y265 AromaticContact CE1-CE2 3.57Å; H262-Y265 AromaticContact CE1-CZ 3.92Å; H262-Y265 AromaticContact CG-CD2 3.55Å; H262-Y265 AromaticContact CG-CE2 3.88Å; H262-Y265 AromaticContact ND1-CD2 3.08Å; H262-Y265 WeakPolarHBondContact ND1-CD2 3.31Å; H262-Y265 AromaticContact ND1-CE2 3.25Å; H262-Y265 VanDerWaalsContact ND1-CE2 3.25Å; H262-Y265 WeakPolarHBondContact ND1-CE2 3.26Å; H262-Y265 AromaticContact ND1-CG 3.56Å; H262-Y265 AromaticContact ND1-CZ 3.86Å; H262-Y265 PolarHBondContact O-N 3.17Å; H262-Y265 VanDerWaalsContact O-N 3.09Å; H262-R266 PolarHBondContact O-N 2.88Å
263	P	91.9	Very high	93.1	Very high	115 Å²	115	63.4 Å²	63.4	75%	0.747	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-36.5	-170	23.6	-33.5	0	0	0	112.9	Y265	P263-Y265 VanDerWaalsContact C-N 3.35Å; P263-Y265 PolarHBondContact O-N 2.7Å
264	A	92.3	Very high	93.1	Very high	13 Å²	13	60.6 Å²	60.6	11%	0.107	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.9	179.7	0	0	0	0	0	114.8	D215 H262 H267	D215-A264 HydrophobicContact CB-CB 3.92Å; D215-A264 WeakPolarHBondContact OD2-CB 3.46Å; H262-A264 VanDerWaalsContact C-N 3.3Å; H262-A264 PolarHBondContact O-N 3.05Å; A264-H267 PolarHBondContact O-CE1 3.43Å; A264-H267 VanDerWaalsContact O-CE1 3.27Å
265	Y	94.9	Very high	92.9	Very high	1 Å²	1	62.1 Å²	62.1	0%	0.004	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-10	-173.9	-50.2	-37.6	0	0	0	114.3	L207 D215 A216 R217 L220 F258 F259 H262 P263 H267 I268 A269	L207-Y265 HydrophobicContact CB-CE2 4.46Å; L207-Y265 HydrophobicContact CD2-CE2 4.31Å; D215-Y265 HydrophobicContact CB-CE1 4.17Å; A216-Y265 PolarHBondContact N-OH 3.38Å; R217-Y265 HydrophobicContact CB-CE1 4.41Å; L220-Y265 HydrophobicContact CD1-CD1 4.04Å; L220-Y265 HydrophobicContact CD1-CE1 3.94Å; F258-Y265 AromaticContact CE1-CD2 3.82Å; F258-Y265 HydrophobicContact CE1-CD2 3.82Å; F258-Y265 AromaticContact CE1-CE2 3.92Å; F258-Y265 HydrophobicContact CE1-CE2 3.92Å; F258-Y265 HydrophobicContact CZ-CD2 4.18Å; F258-Y265 AromaticContact CZ-CE2 3.94Å; F258-Y265 HydrophobicContact CZ-CE2 3.94Å; F259-Y265 HydrophobicContact CD1-CD2 4.19Å; F259-Y265 HydrophobicContact CD1-CG 4.38Å; F259-Y265 HydrophobicContact CE1-CD2 4.26Å; H262-Y265 HydrophobicContact CB-CD2 3.82Å; H262-Y265 HydrophobicContact CB-CG 4.4Å; H262-Y265 AromaticContact CE1-CD2 3.9Å; H262-Y265 AromaticContact CE1-CE2 3.57Å; H262-Y265 AromaticContact CE1-CZ 3.92Å; H262-Y265 AromaticContact CG-CD2 3.55Å; H262-Y265 AromaticContact CG-CE2 3.88Å; H262-Y265 AromaticContact ND1-CD2 3.08Å; H262-Y265 WeakPolarHBondContact ND1-CD2 3.31Å; H262-Y265 AromaticContact ND1-CE2 3.25Å; H262-Y265 VanDerWaalsContact ND1-CE2 3.25Å; H262-Y265 WeakPolarHBondContact ND1-CE2 3.26Å; H262-Y265 AromaticContact ND1-CG 3.56Å; H262-Y265 AromaticContact ND1-CZ 3.86Å; H262-Y265 PolarHBondContact O-N 3.17Å; H262-Y265 VanDerWaalsContact O-N 3.09Å; P263-Y265 VanDerWaalsContact C-N 3.35Å; P263-Y265 PolarHBondContact O-N 2.7Å; Y265-H267 VanDerWaalsContact C-N 3.27Å; Y265-H267 PolarHBondContact O-N 2.95Å; Y265-H267 VanDerWaalsContact O-N 3.15Å; Y265-I268 HydrophobicContact CD1-CD1 4.3Å; Y265-I268 CarbonylContact O-C 3.55Å; Y265-I268 WeakPolarHBondContact O-CG1 3.31Å; Y265-I268 PolarHBondContact O-N 2.91Å; Y265-A269 PolarHBondContact O-N 2.92Å
266	R	93.3	Very high	92.7	Very high	179 Å²	179	64.5 Å²	64.5	68%	0.675	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-33.7	-172.7	-178.2	173.1	173.5	179.8	-1.9	114.6	F259 L260 H262	F259-R266 WeakPolarHBondContact O-CA 3.43Å; L260-R266 WeakPolarHBondContact O-CD 3.49Å; L260-R266 WeakPolarHBondContact O-CG 3.31Å; H262-R266 PolarHBondContact O-N 2.88Å
267	H	93.3	Very high	92.6	Very high	101 Å²	101	59.6 Å²	59.6	47%	0.468	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-14.6	178.2	66.1	-53.4	0	0	0	114.1	E221 A264 Y265	E221-H267 IonicContact OE1-CD2 3.84Å; E221-H267 IonicContact OE1-CE1 2.7Å; E221-H267 PolarHBondContact OE1-CE1 3.12Å; E221-H267 IonicContact OE1-NE2 3.75Å; E221-H267 PolarHBondContact OE1-NE2 2.66Å; A264-H267 PolarHBondContact O-CE1 3.43Å; A264-H267 VanDerWaalsContact O-CE1 3.27Å; Y265-H267 VanDerWaalsContact C-N 3.27Å; Y265-H267 PolarHBondContact O-N 2.95Å; Y265-H267 VanDerWaalsContact O-N 3.15Å
268	I	92.8	Very high	92.1	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-1.8	175.5	61	-177.8	0	0	0	113.1	L220 Y265 E270 R271 M272	L220-I268 HydrophobicContact CB-CD1 3.77Å; L220-I268 HydrophobicContact CD1-CD1 4.26Å; Y265-I268 HydrophobicContact CD1-CD1 4.3Å; Y265-I268 CarbonylContact O-C 3.55Å; Y265-I268 WeakPolarHBondContact O-CG1 3.31Å; Y265-I268 PolarHBondContact O-N 2.91Å; I268-E270 PolarHBondContact O-N 3.3Å; I268-R271 WeakPolarHBondContact O-CA 3.49Å; I268-R271 PolarHBondContact O-N 3.23Å; I268-M272 HydrophobicContact CB-CE 4.43Å; I268-M272 HydrophobicContact CD1-CE 4.13Å; I268-M272 HydrophobicContact CG1-CE 4.43Å; I268-M272 HydrophobicContact CG1-CG 4.2Å; I268-M272 WeakPolarHBondContact O-CG 3.43Å
269	A	91.6	Very high	91.6	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.008	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-53	-25.6	-174.1	0	0	0	0	0	115.6	R256 F259 L260 Y265 R271	R256-A269 PolarHBondContact NH1-O 2.89Å; F259-A269 HydrophobicContact CB-CB 3.86Å; L260-A269 HydrophobicContact CD2-CB 3.98Å; Y265-A269 PolarHBondContact O-N 2.92Å; A269-R271 VanDerWaalsContact C-N 3.33Å
270	E	90.8	Very high	91.1	Very high	152 Å²	152	60.4 Å²	60.4	71%	0.71	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-78.4	-15	175.9	-57	-164.2	142.6	0	0	114.4	I268 H276	I268-E270 PolarHBondContact O-N 3.3Å; E270-H276 PolarHBondContact O-ND1 3.04Å
271	R	90.7	Very high	90.8	Very high	138 Å²	138	56.6 Å²	56.6	52%	0.521	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-102.1	11.1	174	-57.7	-165.6	-61.5	-85.7	6.6	113	I268 A269 H276	I268-R271 WeakPolarHBondContact O-CA 3.49Å; I268-R271 PolarHBondContact O-N 3.23Å; A269-R271 VanDerWaalsContact C-N 3.33Å; R271-H276 PolarHBondContact O-CD2 3.2Å
272	M	94.7	Very high	90.1	Very high	10 Å²	10	54 Å²	54	5%	0.049	26%	0.259	C	S	.	.			trans	-126.7	162.3	-173.2	-60.6	-65.5	142.5	0	0	111.1	L220 G233 F259 I268	L220-M272 HydrophobicContact CB-CE 4.01Å; L220-M272 HydrophobicContact CB-SD 4.49Å; L220-M272 HydrophobicContact CD1-SD 4.07Å; L220-M272 HydrophobicContact CD2-CE 4.24Å; L220-M272 HydrophobicContact CD2-SD 3.96Å; L220-M272 HydrophobicContact CG-SD 4.4Å; G233-M272 PolarHBondContact N-SD 2.89Å; F259-M272 HydrophobicContact CD1-CB 3.77Å; F259-M272 HydrophobicContact CD1-CG 4.17Å; F259-M272 HydrophobicContact CD2-CB 4.03Å; F259-M272 HydrophobicContact CE1-CB 3.74Å; F259-M272 HydrophobicContact CE1-CG 4.07Å; F259-M272 HydrophobicContact CE2-CB 4Å; F259-M272 HydrophobicContact CG-CB 3.93Å; F259-M272 HydrophobicContact CZ-CB 3.87Å; I268-M272 HydrophobicContact CB-CE 4.43Å; I268-M272 HydrophobicContact CD1-CE 4.13Å; I268-M272 HydrophobicContact CG1-CE 4.43Å; I268-M272 HydrophobicContact CG1-CG 4.2Å; I268-M272 WeakPolarHBondContact O-CG 3.43Å
273	G	93.9	Very high	89.5	Confident	3 Å²	3	54 Å²	54	3%	0.031	26%	0.259	C	S	.	.	S	Bend	trans	89.6	158.5	-179.9	0	0	0	0	0	114.2	G233 E255 P275 H276 L277	G233-G273 WeakPolarHBondContact O-CA 3.45Å; G233-G273 PolarHBondContact O-N 3.47Å; E255-G273 WeakPolarHBondContact OE1-CA 3.38Å; E255-G273 WeakPolarHBondContact OE2-CA 3.42Å; G273-P275 VanDerWaalsContact C-CD 3.44Å; G273-H276 WeakPolarHBondContact O-CB 3.2Å; G273-H276 PolarHBondContact O-N 3Å; G273-L277 PolarHBondContact O-N 2.96Å
274	T	90.2	Very high	89.1	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-51.3	-43.2	-178.6	-56.8	0	0	0	0	113	N50 F51 L252 E255 H276 L277 Q278	N50-T274 HydrophobicContact CB-CG2 3.65Å; F51-T274 HydrophobicContact CD1-CG2 3.77Å; F51-T274 HydrophobicContact CE1-CG2 3.95Å; L252-T274 HydrophobicContact CD2-CG2 4.17Å; E255-T274 PolarHBondContact OE1-N 2.74Å; E255-T274 PolarHBondContact OE1-OG1 3.44Å; E255-T274 VanDerWaalsContact OE1-OG1 3.12Å; E255-T274 WeakPolarHBondContact OE2-CB 3.38Å; E255-T274 PolarHBondContact OE2-N 3.48Å; E255-T274 PolarHBondContact OE2-OG1 3.49Å; T274-H276 VanDerWaalsContact C-N 3.31Å; T274-H276 PolarHBondContact O-N 3.28Å; T274-L277 WeakPolarHBondContact O-CB 3.34Å; T274-L277 PolarHBondContact O-N 3.06Å; T274-Q278 PolarHBondContact O-N 3.39Å
275	P	87.6	Confident	88.5	Confident	74 Å²	74	49.2 Å²	49.2	48%	0.481	23%	0.225	S	C	.	.	H	α-helix	trans	-66.4	-31.3	179.8	-21.5	35	0	0	0	113.3	L252 G273 K279	L252-P275 HydrophobicContact CD2-CG 4.16Å; G273-P275 VanDerWaalsContact C-CD 3.44Å; P275-K279 PolarHBondContact O-N 2.94Å
276	H	90.1	Very high	87.6	Confident	54 Å²	54	49.3 Å²	49.3	25%	0.25	23%	0.225	C	C	.	.	H	α-helix	trans	-71	-43.5	172.6	-170.9	91.5	0	0	0	110.5	E270 R271 G273 T274 K279 T280	E270-H276 PolarHBondContact O-ND1 3.04Å; R271-H276 PolarHBondContact O-CD2 3.2Å; G273-H276 WeakPolarHBondContact O-CB 3.2Å; G273-H276 PolarHBondContact O-N 3Å; T274-H276 VanDerWaalsContact C-N 3.31Å; T274-H276 PolarHBondContact O-N 3.28Å; H276-K279 PolarHBondContact O-N 2.85Å; H276-T280 PolarHBondContact NE2-OG1 3.21Å; H276-T280 WeakPolarHBondContact O-CB 3.33Å; H276-T280 PolarHBondContact O-N 2.98Å; H276-T280 PolarHBondContact O-OG1 3.49Å
277	L	90.3	Very high	87	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58	-51.1	176.5	-177.8	57.7	0	0	0	111.8	V47 F51 L172 V203 I232 V234 G273 T274 K279 T280 L281	V47-L277 HydrophobicContact CG1-CD2 3.88Å; F51-L277 HydrophobicContact CE1-CB 4.29Å; F51-L277 HydrophobicContact CE1-CD2 3.91Å; F51-L277 HydrophobicContact CE1-CG 3.93Å; F51-L277 HydrophobicContact CZ-CD2 3.64Å; F51-L277 HydrophobicContact CZ-CG 3.75Å; L172-L277 HydrophobicContact CD1-CD1 4.46Å; V203-L277 HydrophobicContact CG1-CD2 4.08Å; V203-L277 HydrophobicContact CG2-CD1 3.76Å; V203-L277 HydrophobicContact CG2-CD2 3.8Å; V203-L277 HydrophobicContact CG2-CG 4.47Å; I232-L277 HydrophobicContact CB-CD1 4.19Å; I232-L277 HydrophobicContact CD1-CD1 3.73Å; I232-L277 HydrophobicContact CG2-CB 3.95Å; I232-L277 HydrophobicContact CG2-CD1 4.37Å; V234-L277 HydrophobicContact CG1-CB 4.4Å; V234-L277 HydrophobicContact CG1-CD2 3.83Å; G273-L277 PolarHBondContact O-N 2.96Å; T274-L277 WeakPolarHBondContact O-CB 3.34Å; T274-L277 PolarHBondContact O-N 3.06Å; L277-K279 VanDerWaalsContact C-N 3.35Å; L277-K279 PolarHBondContact O-N 2.85Å; L277-T280 PolarHBondContact O-N 3.36Å; L277-L281 HydrophobicContact CD1-CD1 3.91Å; L277-L281 HydrophobicContact CD1-CD2 4.25Å; L277-L281 HydrophobicContact CD1-CG 3.88Å; L277-L281 HydrophobicContact CG-CD1 3.89Å; L277-L281 HydrophobicContact CG-CG 4.27Å; L277-L281 WeakPolarHBondContact O-CB 3.48Å; L277-L281 VanDerWaalsContact O-CG 3.3Å; L277-L281 WeakPolarHBondContact O-CG 3.48Å; L277-L281 PolarHBondContact O-N 3.39Å
278	Q	83.9	Confident	86.3	Confident	32 Å²	32	37.1 Å²	37.1	15%	0.15	18%	0.176	C	C	.	.	H	α-helix	trans	-59.1	-43.6	-179	-166.2	-173.1	35.4	0	0	112.1	F51 L130 T274 N282	F51-Q278 HydrophobicContact CD1-CB 3.96Å; F51-Q278 HydrophobicContact CD1-CG 4.14Å; F51-Q278 HydrophobicContact CE1-CB 4.12Å; F51-Q278 PolarHBondContact O-NE2 3.38Å; L130-Q278 HydrophobicContact CD1-CG 4.35Å; T274-Q278 PolarHBondContact O-N 3.39Å; Q278-N282 PolarHBondContact O-N 2.95Å; Q278-N282 VanDerWaalsContact O-N 3.1Å
279	K	83.5	Confident	85.5	Confident	151 Å²	151	37.1 Å²	37.1	66%	0.657	18%	0.176	S	C	*	.	H	α-helix	trans	-63.6	-45.3	175.7	-177.5	-179.7	177.6	-177.3	0	112	P275 H276 L277 N282 Q283	P275-K279 PolarHBondContact O-N 2.94Å; H276-K279 PolarHBondContact O-N 2.85Å; L277-K279 VanDerWaalsContact C-N 3.35Å; L277-K279 PolarHBondContact O-N 2.85Å; K279-N282 PolarHBondContact O-N 3.36Å; K279-Q283 PolarHBondContact O-N 2.96Å
280	T	86.9	Confident	84.7	Confident	29 Å²	29	41.5 Å²	41.5	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-67	-40.5	179.5	-68.2	0	0	0	0	111.4	I232 H276 L277 N282 Q283 Q284	I232-T280 HydrophobicContact CD1-CG2 3.91Å; H276-T280 PolarHBondContact NE2-OG1 3.21Å; H276-T280 WeakPolarHBondContact O-CB 3.33Å; H276-T280 PolarHBondContact O-N 2.98Å; H276-T280 PolarHBondContact O-OG1 3.49Å; L277-T280 PolarHBondContact O-N 3.36Å; T280-N282 PolarHBondContact O-N 2.74Å; T280-Q283 PolarHBondContact O-N 3.32Å; T280-Q284 HydrophobicContact CG2-CG 3.88Å; T280-Q284 VanDerWaalsContact O-CB 3.29Å; T280-Q284 WeakPolarHBondContact O-CB 3.28Å; T280-Q284 WeakPolarHBondContact O-CG 3.42Å; T280-Q284 PolarHBondContact O-N 3.29Å
281	L	86	Confident	84.1	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.9	-43.9	175.3	-68.8	174.9	0	0	0	112.4	I34 F51 L132 L172 I201 L277 Q284 L285	I34-L281 HydrophobicContact CD1-CB 4Å; I34-L281 HydrophobicContact CD1-CD2 4.22Å; F51-L281 HydrophobicContact CE1-CD1 4.4Å; F51-L281 HydrophobicContact CE2-CD1 3.7Å; F51-L281 HydrophobicContact CZ-CD1 3.44Å; F51-L281 VanDerWaalsContact CZ-CD1 3.44Å; L132-L281 HydrophobicContact CD1-CB 4.43Å; L132-L281 HydrophobicContact CD2-CB 4.36Å; L172-L281 HydrophobicContact CD1-CD1 4.49Å; L172-L281 HydrophobicContact CD1-CD2 3.65Å; L172-L281 HydrophobicContact CD2-CD1 3.98Å; L172-L281 HydrophobicContact CD2-CD2 4.38Å; I201-L281 HydrophobicContact CD1-CD2 3.66Å; I201-L281 HydrophobicContact CG2-CD2 4.5Å; L277-L281 HydrophobicContact CD1-CD1 3.91Å; L277-L281 HydrophobicContact CD1-CD2 4.25Å; L277-L281 HydrophobicContact CD1-CG 3.88Å; L277-L281 HydrophobicContact CG-CD1 3.89Å; L277-L281 HydrophobicContact CG-CG 4.27Å; L277-L281 WeakPolarHBondContact O-CB 3.48Å; L277-L281 VanDerWaalsContact O-CG 3.3Å; L277-L281 WeakPolarHBondContact O-CG 3.48Å; L277-L281 PolarHBondContact O-N 3.39Å; L281-Q284 PolarHBondContact O-N 2.63Å; L281-L285 VanDerWaalsContact O-CB 3.26Å; L281-L285 WeakPolarHBondContact O-CB 3.39Å; L281-L285 PolarHBondContact O-N 2.88Å
282	N	80.1	Confident	83.5	Confident	29 Å²	29	34.1 Å²	34.1	16%	0.155	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-45.8	175.3	175.6	-90.5	0	0	0	111.8	I10 L130 N131 L132 Q278 K279 T280 T286	I10-N282 WeakPolarHBondContact CD1-ND2 3.31Å; L130-N282 HydrophobicContact CB-CB 4.46Å; L130-N282 HydrophobicContact CD1-CB 3.66Å; N131-N282 PolarHBondContact O-ND2 3.22Å; L132-N282 HydrophobicContact CD1-CB 4.24Å; Q278-N282 PolarHBondContact O-N 2.95Å; Q278-N282 VanDerWaalsContact O-N 3.1Å; K279-N282 PolarHBondContact O-N 3.36Å; T280-N282 PolarHBondContact O-N 2.74Å; N282-T286 VanDerWaalsContact O-CB 3.26Å; N282-T286 WeakPolarHBondContact O-CB 3.49Å; N282-T286 PolarHBondContact O-N 2.85Å; N282-T286 PolarHBondContact O-OG1 3.15Å
283	Q	81.8	Confident	82.6	Confident	47 Å²	47	34.1 Å²	34.1	22%	0.22	17%	0.17	C	C	.	.	H	α-helix	trans	-65.1	-42.5	176.9	-172.7	67.4	72.2	0	0	112.6	K279 T280 T286 N287	K279-Q283 PolarHBondContact O-N 2.96Å; T280-Q283 PolarHBondContact O-N 3.32Å; Q283-T286 PolarHBondContact O-N 3.41Å; Q283-N287 PolarHBondContact NE2-OD1 3.14Å; Q283-N287 PolarHBondContact O-N 3.01Å; Q283-N287 PolarHBondContact O-OD1 3.49Å
284	Q	83.4	Confident	82	Confident	27 Å²	27	38 Å²	38	13%	0.126	20%	0.195	C	C	.	.	H	α-helix	trans	-67.5	-40.6	-179.6	-68.2	-73	1.8	0	0	111.6	L170 I201 T280 L281 H288	L170-Q284 HydrophobicContact CD1-CB 4.29Å; I201-Q284 HydrophobicContact CD1-CB 4.12Å; I201-Q284 HydrophobicContact CD1-CG 4.23Å; T280-Q284 HydrophobicContact CG2-CG 3.88Å; T280-Q284 VanDerWaalsContact O-CB 3.29Å; T280-Q284 WeakPolarHBondContact O-CB 3.28Å; T280-Q284 WeakPolarHBondContact O-CG 3.42Å; T280-Q284 PolarHBondContact O-N 3.29Å; L281-Q284 PolarHBondContact O-N 2.63Å; Q284-H288 VanDerWaalsContact O-CB 3.22Å; Q284-H288 WeakPolarHBondContact O-CB 3.49Å; Q284-H288 PolarHBondContact O-N 2.83Å
285	L	79.1	Confident	81.6	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-64.6	-44.9	173.2	-179.8	62	0	0	0	111.2	I10 P32 I34 L132 L170 L281 N287 H288 I289	I10-L285 HydrophobicContact CD1-CD2 4.12Å; P32-L285 HydrophobicContact CB-CD1 4.27Å; I34-L285 HydrophobicContact CD1-CB 4.22Å; I34-L285 HydrophobicContact CD1-CD2 4.32Å; I34-L285 HydrophobicContact CG1-CB 4.49Å; I34-L285 HydrophobicContact CG1-CD1 4.29Å; I34-L285 HydrophobicContact CG1-CD2 4.47Å; L132-L285 HydrophobicContact CD1-CD2 3.82Å; L170-L285 HydrophobicContact CD1-CB 4.33Å; L170-L285 HydrophobicContact CD1-CD1 4.48Å; L281-L285 VanDerWaalsContact O-CB 3.26Å; L281-L285 WeakPolarHBondContact O-CB 3.39Å; L281-L285 PolarHBondContact O-N 2.88Å; L285-N287 PolarHBondContact O-N 2.69Å; L285-H288 CarbonylContact O-C 3.55Å; L285-H288 PolarHBondContact O-N 3.28Å; L285-I289 HydrophobicContact CD1-CD1 4.26Å; L285-I289 HydrophobicContact CD1-CG1 4.27Å; L285-I289 HydrophobicContact CG-CD1 3.89Å; L285-I289 HydrophobicContact CG-CG1 4.37Å; L285-I289 VanDerWaalsContact O-CG1 3.28Å; L285-I289 WeakPolarHBondContact O-CG1 3.47Å; L285-I289 PolarHBondContact O-N 2.76Å
286	T	75.9	Confident	81.2	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-58.9	-46.6	178.4	-61	0	0	0	0	111.9	M6 L9 N282 Q283 I289 R290	M6-T286 HydrophobicContact CB-CG2 3.59Å; M6-T286 HydrophobicContact CG-CG2 3.47Å; M6-T286 VanDerWaalsContact CG-CG2 3.47Å; M6-T286 HydrophobicContact SD-CG2 3.67Å; L9-T286 HydrophobicContact CD1-CG2 3.74Å; N282-T286 VanDerWaalsContact O-CB 3.26Å; N282-T286 WeakPolarHBondContact O-CB 3.49Å; N282-T286 PolarHBondContact O-N 2.85Å; N282-T286 PolarHBondContact O-OG1 3.15Å; Q283-T286 PolarHBondContact O-N 3.41Å; T286-I289 PolarHBondContact O-N 2.66Å; T286-R290 PolarHBondContact O-N 3.18Å; T286-R290 VanDerWaalsContact O-N 3.16Å
287	N	79.9	Confident	80.8	Confident	9 Å²	9	39.2 Å²	39.2	5%	0.048	20%	0.203	C	C	.	.	H	α-helix	trans	-63.4	-44.6	175.5	-65.8	0.6	0	0	0	110.7	Q283 L285 I289 R290 D291	Q283-N287 PolarHBondContact NE2-OD1 3.14Å; Q283-N287 PolarHBondContact O-N 3.01Å; Q283-N287 PolarHBondContact O-OD1 3.49Å; L285-N287 PolarHBondContact O-N 2.69Å; N287-I289 PolarHBondContact O-N 2.64Å; N287-R290 WeakPolarHBondContact O-CB 3.36Å; N287-R290 PolarHBondContact O-N 3.42Å; N287-R290 VanDerWaalsContact O-N 3.16Å; N287-D291 VanDerWaalsContact O-CG 3.24Å; N287-D291 PolarHBondContact O-N 2.82Å
288	H	78.7	Confident	80.5	Confident	15 Å²	15	42.9 Å²	42.9	7%	0.069	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-34.1	-179.4	-167	55.4	0	0	0	113.2	E167 S168 L170 Q284 L285 D291 T292	E167-H288 PolarHBondContact O-CE1 2.7Å; E167-H288 PolarHBondContact O-NE2 3.48Å; S168-H288 VanDerWaalsContact CA-NE2 3.29Å; S168-H288 WeakPolarHBondContact CA-NE2 3.39Å; S168-H288 PolarHBondContact O-CD2 2.73Å; S168-H288 PolarHBondContact O-NE2 2.76Å; L170-H288 HydrophobicContact CD1-CB 4.19Å; L170-H288 HydrophobicContact CD2-CB 4.13Å; L170-H288 HydrophobicContact CG-CB 4.32Å; Q284-H288 VanDerWaalsContact O-CB 3.22Å; Q284-H288 WeakPolarHBondContact O-CB 3.49Å; Q284-H288 PolarHBondContact O-N 2.83Å; L285-H288 CarbonylContact O-C 3.55Å; L285-H288 PolarHBondContact O-N 3.28Å; H288-D291 PolarHBondContact O-N 3.21Å; H288-T292 WeakPolarHBondContact O-CB 3.48Å; H288-T292 WeakPolarHBondContact O-CG2 3.27Å; H288-T292 PolarHBondContact O-N 3.03Å; H288-T292 PolarHBondContact O-OG1 2.95Å
289	I	76.7	Confident	80.5	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-57.6	-53.5	168.8	-72	162.2	0	0	0	109.3	L9 I10 I13 P32 L285 T286 N287 D291 T292 L293	L9-I289 HydrophobicContact CD2-CG2 4.2Å; I10-I289 HydrophobicContact CG1-CD1 3.86Å; I13-I289 HydrophobicContact CD1-CG2 4.09Å; I13-I289 HydrophobicContact CG1-CD1 4.08Å; I13-I289 HydrophobicContact CG1-CG1 4.26Å; I13-I289 HydrophobicContact CG1-CG2 3.94Å; P32-I289 HydrophobicContact CB-CB 4.46Å; P32-I289 HydrophobicContact CB-CG1 3.61Å; P32-I289 HydrophobicContact CG-CB 4.4Å; P32-I289 HydrophobicContact CG-CG1 3.9Å; L285-I289 HydrophobicContact CD1-CD1 4.26Å; L285-I289 HydrophobicContact CD1-CG1 4.27Å; L285-I289 HydrophobicContact CG-CD1 3.89Å; L285-I289 HydrophobicContact CG-CG1 4.37Å; L285-I289 VanDerWaalsContact O-CG1 3.28Å; L285-I289 WeakPolarHBondContact O-CG1 3.47Å; L285-I289 PolarHBondContact O-N 2.76Å; T286-I289 PolarHBondContact O-N 2.66Å; N287-I289 PolarHBondContact O-N 2.64Å; I289-D291 VanDerWaalsContact C-N 3.32Å; I289-D291 PolarHBondContact O-N 2.95Å; I289-T292 PolarHBondContact O-N 3.3Å; I289-T292 PolarHBondContact O-OG1 3.49Å; I289-L293 WeakPolarHBondContact O-CB 3.16Å; I289-L293 PolarHBondContact O-N 2.95Å
290	R	75.3	Confident	80.4	Confident	93 Å²	93	37.8 Å²	37.8	35%	0.351	21%	0.206	S	C	.	.	H	α-helix	trans	-56	-45	179.8	-177.6	-164.5	177.1	104.8	7	112.3	T286 N287 P294 T740	T286-R290 PolarHBondContact O-N 3.18Å; T286-R290 VanDerWaalsContact O-N 3.16Å; N287-R290 WeakPolarHBondContact O-CB 3.36Å; N287-R290 PolarHBondContact O-N 3.42Å; N287-R290 VanDerWaalsContact O-N 3.16Å; R290-P294 WeakPolarHBondContact O-CD 3.44Å; R290-T740 PolarHBondContact NH1-O 2.71Å; R290-T740 PolarHBondContact NH1-OG1 3.49Å
291	D	77.6	Confident	80.4	Confident	102 Å²	102	40.7 Å²	40.7	55%	0.545	22%	0.218	S	C	.	.	H	α-helix	trans	-71.8	-32.3	-175.1	-63	-21.4	0	0	0	112.6	N287 H288 I289	N287-D291 VanDerWaalsContact O-CG 3.24Å; N287-D291 PolarHBondContact O-N 2.82Å; H288-D291 PolarHBondContact O-N 3.21Å; I289-D291 VanDerWaalsContact C-N 3.32Å; I289-D291 PolarHBondContact O-N 2.95Å
292	T	77.1	Confident	80.4	Confident	34 Å²	34	44.5 Å²	44.5	21%	0.209	24%	0.244	C	C	.	.	H	α-helix	trans	-89.4	-24.6	-178.7	53.6	0	0	0	0	114	P32 H288 I289 P294 G295 L296	P32-T292 WeakPolarHBondContact CG-OG1 3.49Å; H288-T292 WeakPolarHBondContact O-CB 3.48Å; H288-T292 WeakPolarHBondContact O-CG2 3.27Å; H288-T292 PolarHBondContact O-N 3.03Å; H288-T292 PolarHBondContact O-OG1 2.95Å; I289-T292 PolarHBondContact O-N 3.3Å; I289-T292 PolarHBondContact O-OG1 3.49Å; T292-P294 VanDerWaalsContact C-CD 3.45Å; T292-G295 PolarHBondContact O-N 3.41Å; T292-L296 PolarHBondContact O-N 3.26Å; T292-L296 VanDerWaalsContact O-N 3.1Å
293	L	77.1	Confident	80.6	Confident	10 Å²	10	46.8 Å²	46.8	5%	0.052	25%	0.254	C	S	.	.	H	α-helix	trans	-54.8	-39.6	-175.9	-158.9	78.2	0	0	0	115.1	I13 I289 G295 L296 R297 I733 I736	I13-L293 HydrophobicContact CD1-CD1 4.24Å; I289-L293 WeakPolarHBondContact O-CB 3.16Å; I289-L293 PolarHBondContact O-N 2.95Å; L293-G295 VanDerWaalsContact C-N 3.3Å; L293-G295 PolarHBondContact O-N 3.48Å; L293-L296 HydrophobicContact CD1-CD2 4.33Å; L293-L296 PolarHBondContact O-N 2.91Å; L293-R297 WeakPolarHBondContact O-CB 3.39Å; L293-R297 PolarHBondContact O-N 2.75Å; L293-I733 HydrophobicContact CD1-CG1 4.17Å; L293-I733 HydrophobicContact CD1-CG2 4.43Å; L293-I733 HydrophobicContact CD2-CG2 4.1Å; L293-I733 HydrophobicContact CG-CG2 4Å; L293-I736 HydrophobicContact CD1-CD1 4.12Å; L293-I736 HydrophobicContact CD2-CB 3.68Å; L293-I736 HydrophobicContact CD2-CD1 3.85Å; L293-I736 HydrophobicContact CD2-CG1 4.36Å; L293-I736 HydrophobicContact CD2-CG2 3.33Å
294	P	81.2	Confident	80.8	Confident	85 Å²	85	46.3 Å²	46.3	55%	0.552	25%	0.253	S	S	*	.	H	α-helix	trans	-63.2	-35.7	177.2	-22.7	35.1	0	0	0	112.7	R290 T292 S298	R290-P294 WeakPolarHBondContact O-CD 3.44Å; T292-P294 VanDerWaalsContact C-CD 3.45Å; P294-S298 PolarHBondContact O-N 3.42Å; P294-S298 VanDerWaalsContact O-N 3.07Å
295	G	81.4	Confident	80.9	Confident	49 Å²	49	50.8 Å²	50.8	51%	0.505	28%	0.277	S	S	.	.	H	α-helix	trans	-67.7	-46.4	174.5	0	0	0	0	0	111.9	T292 L293 R297 S298 K299	T292-G295 PolarHBondContact O-N 3.41Å; L293-G295 VanDerWaalsContact C-N 3.3Å; L293-G295 PolarHBondContact O-N 3.48Å; G295-R297 VanDerWaalsContact C-N 3.33Å; G295-R297 PolarHBondContact O-N 3.11Å; G295-S298 PolarHBondContact O-N 3.46Å; G295-K299 PolarHBondContact O-N 2.96Å
296	L	78.4	Confident	81.2	Confident	16 Å²	16	54.3 Å²	54.3	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-58.2	-44.4	174.4	-180	65.8	0	0	0	111.7	L29 L31 T292 L293 S298 K299 L300 I733	L29-L296 HydrophobicContact CD2-CD1 4.07Å; L31-L296 HydrophobicContact CD2-CD1 3.96Å; L31-L296 HydrophobicContact CD2-CD2 3.48Å; L31-L296 VanDerWaalsContact CD2-CD2 3.48Å; L31-L296 HydrophobicContact CD2-CG 4.39Å; T292-L296 PolarHBondContact O-N 3.26Å; T292-L296 VanDerWaalsContact O-N 3.1Å; L293-L296 HydrophobicContact CD1-CD2 4.33Å; L293-L296 PolarHBondContact O-N 2.91Å; L296-S298 PolarHBondContact O-N 2.91Å; L296-K299 PolarHBondContact O-N 3.14Å; L296-L300 HydrophobicContact CD1-CD1 4.15Å; L296-L300 HydrophobicContact CD1-CG 4.38Å; L296-L300 HydrophobicContact CG-CD1 3.91Å; L296-L300 WeakPolarHBondContact O-CB 3.29Å; L296-L300 WeakPolarHBondContact O-CG 3.39Å; L296-L300 PolarHBondContact O-N 3.4Å; L296-I733 HydrophobicContact CD2-CD1 4.05Å; L296-I733 HydrophobicContact CG-CD1 4.21Å
297	R	82.6	Confident	81.6	Confident	90 Å²	90	55.9 Å²	55.9	34%	0.34	31%	0.309	S	S	.	.	H	α-helix	trans	-56.7	-48.5	175.1	-171.5	-178.1	168.3	146.2	0.9	111.3	L293 G295 L300 Q301 L730 I733	L293-R297 WeakPolarHBondContact O-CB 3.39Å; L293-R297 PolarHBondContact O-N 2.75Å; G295-R297 VanDerWaalsContact C-N 3.33Å; G295-R297 PolarHBondContact O-N 3.11Å; R297-L300 PolarHBondContact O-N 3.49Å; R297-Q301 HydrophobicContact CG-CG 4.48Å; R297-Q301 WeakPolarHBondContact O-CB 3.46Å; R297-Q301 WeakPolarHBondContact O-CG 3.46Å; R297-Q301 PolarHBondContact O-N 2.88Å; R297-L730 HydrophobicContact CG-CD2 4.15Å; R297-I733 HydrophobicContact CB-CG2 3.84Å; R297-I733 HydrophobicContact CG-CG2 3.87Å
298	S	83.8	Confident	81.8	Confident	77 Å²	77	58 Å²	58	54%	0.538	32%	0.319	S	S	.	.	H	α-helix	trans	-61.7	-44.6	178.5	-170.4	0	0	0	0	112.1	P294 G295 L296 L300 Q301 S302	P294-S298 PolarHBondContact O-N 3.42Å; P294-S298 VanDerWaalsContact O-N 3.07Å; G295-S298 PolarHBondContact O-N 3.46Å; L296-S298 PolarHBondContact O-N 2.91Å; S298-L300 PolarHBondContact O-N 3.34Å; S298-Q301 PolarHBondContact O-N 2.85Å; S298-S302 WeakPolarHBondContact O-CB 3.34Å; S298-S302 PolarHBondContact O-N 3.17Å
299	K	83.1	Confident	81.7	Confident	76 Å²	76	64.7 Å²	64.7	33%	0.33	35%	0.348	S	S	.	.	H	α-helix	trans	-56.8	-49	175.2	-165.7	-176.2	-170.2	-172.5	0	111.2	N28 D30 G295 L296 S302 Q303	N28-K299 PolarHBondContact O-NZ 3.12Å; D30-K299 IonicContact OD2-NZ 3.24Å; D30-K299 PolarHBondContact OD2-NZ 3.2Å; G295-K299 PolarHBondContact O-N 2.96Å; L296-K299 PolarHBondContact O-N 3.14Å; K299-S302 PolarHBondContact O-N 2.96Å; K299-Q303 WeakPolarHBondContact O-CG 3.44Å; K299-Q303 PolarHBondContact O-N 3.27Å
300	L	82.9	Confident	81.7	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-65.9	-41.1	178.5	-72.4	167.4	0	0	0	112.9	F20 L29 L296 R297 S298 S302 Q303 M304 L726 A729 L730 I733	F20-L300 HydrophobicContact CE2-CD2 4.32Å; F20-L300 HydrophobicContact CZ-CD2 3.77Å; L29-L300 HydrophobicContact CD1-CD2 4.22Å; L29-L300 HydrophobicContact CD2-CD2 3.63Å; L29-L300 HydrophobicContact CD2-CG 4.23Å; L296-L300 HydrophobicContact CD1-CD1 4.15Å; L296-L300 HydrophobicContact CD1-CG 4.38Å; L296-L300 HydrophobicContact CG-CD1 3.91Å; L296-L300 WeakPolarHBondContact O-CB 3.29Å; L296-L300 WeakPolarHBondContact O-CG 3.39Å; L296-L300 PolarHBondContact O-N 3.4Å; R297-L300 PolarHBondContact O-N 3.49Å; S298-L300 PolarHBondContact O-N 3.34Å; L300-S302 VanDerWaalsContact C-N 3.35Å; L300-Q303 PolarHBondContact O-N 3.28Å; L300-M304 WeakPolarHBondContact O-CB 3.23Å; L300-M304 PolarHBondContact O-N 2.84Å; L300-L726 HydrophobicContact CD2-CD2 3.4Å; L300-L726 VanDerWaalsContact CD2-CD2 3.4Å; L300-A729 HydrophobicContact CD1-CB 4.44Å; L300-L730 HydrophobicContact CB-CD1 4.5Å; L300-L730 HydrophobicContact CB-CD2 3.7Å; L300-L730 HydrophobicContact CB-CG 4.09Å; L300-I733 HydrophobicContact CD1-CD1 3.38Å
301	Q	85.9	Confident	81.9	Confident	90 Å²	90	64.6 Å²	64.6	42%	0.421	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-40	175.7	-73.3	-174.6	-88	0	0	111.7	R297 S298 M304 L305 L730	R297-Q301 HydrophobicContact CG-CG 4.48Å; R297-Q301 WeakPolarHBondContact O-CB 3.46Å; R297-Q301 WeakPolarHBondContact O-CG 3.46Å; R297-Q301 PolarHBondContact O-N 2.88Å; S298-Q301 PolarHBondContact O-N 2.85Å; Q301-M304 PolarHBondContact O-N 2.99Å; Q301-L305 WeakPolarHBondContact O-CB 3.34Å; Q301-L305 PolarHBondContact O-N 2.9Å; Q301-L730 HydrophobicContact CG-CD1 3.96Å; Q301-L730 HydrophobicContact CG-CD2 3.58Å; Q301-L730 HydrophobicContact CG-CG 4.44Å
302	S	86.1	Confident	81.7	Confident	80 Å²	80	64.3 Å²	64.3	56%	0.559	35%	0.347	S	S	*	.	H	α-helix	trans	-63.8	-47	175.6	-172.5	0	0	0	0	111.9	S298 K299 L300 M304 L305 S306	S298-S302 WeakPolarHBondContact O-CB 3.34Å; S298-S302 PolarHBondContact O-N 3.17Å; K299-S302 PolarHBondContact O-N 2.96Å; L300-S302 VanDerWaalsContact C-N 3.35Å; S302-M304 PolarHBondContact O-N 2.9Å; S302-L305 PolarHBondContact O-N 3.46Å; S302-S306 PolarHBondContact O-N 3.16Å; S302-S306 PolarHBondContact O-OG 2.82Å
303	Q	83.7	Confident	81.3	Confident	77 Å²	77	68 Å²	68	36%	0.36	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-39.3	176.7	-71.9	-179.9	-49.7	0	0	112.8	K299 L300 S306 L307 L726	K299-Q303 WeakPolarHBondContact O-CG 3.44Å; K299-Q303 PolarHBondContact O-N 3.27Å; L300-Q303 PolarHBondContact O-N 3.28Å; Q303-S306 PolarHBondContact O-OG 2.89Å; Q303-L307 WeakPolarHBondContact O-CG 3.39Å; Q303-L307 PolarHBondContact O-N 3.12Å; Q303-L726 HydrophobicContact CB-CD1 4.35Å
304	M	85.7	Confident	80.7	Confident	38 Å²	38	70.6 Å²	70.6	19%	0.187	37%	0.372	C	S	.	.	H	α-helix	trans	-64.4	-42.4	174.2	-170.5	-172.8	72.7	0	0	111	L300 Q301 S302 L307 E308 Y723 L726 K727 L730	L300-M304 WeakPolarHBondContact O-CB 3.23Å; L300-M304 PolarHBondContact O-N 2.84Å; Q301-M304 PolarHBondContact O-N 2.99Å; S302-M304 PolarHBondContact O-N 2.9Å; M304-L307 PolarHBondContact O-N 3.35Å; M304-E308 VanDerWaalsContact O-CB 3.29Å; M304-E308 WeakPolarHBondContact O-CB 3.34Å; M304-E308 PolarHBondContact O-N 2.94Å; M304-Y723 HydrophobicContact CG-CD2 4.09Å; M304-Y723 HydrophobicContact CG-CE2 4.01Å; M304-L726 HydrophobicContact CB-CB 4.36Å; M304-K727 HydrophobicContact SD-CB 4.31Å; M304-L730 HydrophobicContact CB-CD1 4.13Å; M304-L730 HydrophobicContact CE-CD1 4.02Å; M304-L730 HydrophobicContact CG-CD1 4.5Å; M304-L730 HydrophobicContact SD-CD1 3.65Å
305	L	87.2	Confident	79.6	Confident	121 Å²	121	70.6 Å²	70.6	63%	0.634	36%	0.363	S	S	*	.	H	α-helix	trans	-66.5	-38.4	-179.9	-176.7	65.1	0	0	0	112.8	Q301 S302 E308	Q301-L305 WeakPolarHBondContact O-CB 3.34Å; Q301-L305 PolarHBondContact O-N 2.9Å; S302-L305 PolarHBondContact O-N 3.46Å; L305-E308 PolarHBondContact O-N 3.22Å
306	S	85.2	Confident	78.3	Confident	76 Å²	76	74 Å²	74	53%	0.531	37%	0.37	S	S	.	.	H	α-helix	trans	-64.7	-41.9	174.3	51.1	0	0	0	0	111.9	S302 Q303	S302-S306 PolarHBondContact O-N 3.16Å; S302-S306 PolarHBondContact O-OG 2.82Å; Q303-S306 PolarHBondContact O-OG 2.89Å
307	L	83.6	Confident	77.3	Confident	34 Å²	34	75.5 Å²	75.5	18%	0.178	38%	0.376	C	S	.	.	H	α-helix	trans	-72.2	-31	176.8	-70.6	172	0	0	0	112.7	Q303 M304 K309 E310 V311 M719 M722 L726	Q303-L307 WeakPolarHBondContact O-CG 3.39Å; Q303-L307 PolarHBondContact O-N 3.12Å; M304-L307 PolarHBondContact O-N 3.35Å; L307-K309 PolarHBondContact O-N 3.47Å; L307-E310 PolarHBondContact O-N 3.1Å; L307-E310 VanDerWaalsContact O-N 3.15Å; L307-V311 HydrophobicContact CB-CG2 4.5Å; L307-V311 VanDerWaalsContact O-CB 3.32Å; L307-V311 WeakPolarHBondContact O-CB 3.38Å; L307-V311 WeakPolarHBondContact O-CG2 3.49Å; L307-V311 PolarHBondContact O-N 2.89Å; L307-M719 HydrophobicContact CD2-CG 3.78Å; L307-M719 HydrophobicContact CD2-SD 4.12Å; L307-M722 HydrophobicContact CD1-CB 4.38Å; L307-M722 HydrophobicContact CD1-CG 3.67Å; L307-L726 HydrophobicContact CD1-CD1 3.5Å; L307-L726 VanDerWaalsContact CD1-CD1 3.5Å
308	E	83.6	Confident	76.2	Confident	54 Å²	54	80.6 Å²	80.6	25%	0.252	40%	0.395	S	S	.	.	H	α-helix	trans	-58.2	-35.5	-177.6	-178.9	132.7	-113	0	0	112.2	M304 L305 E312 K315 Y723	M304-E308 VanDerWaalsContact O-CB 3.29Å; M304-E308 WeakPolarHBondContact O-CB 3.34Å; M304-E308 PolarHBondContact O-N 2.94Å; L305-E308 PolarHBondContact O-N 3.22Å; E308-E312 WeakPolarHBondContact O-CB 3.17Å; E308-E312 PolarHBondContact O-N 2.97Å; E308-K315 IonicContact OE1-NZ 2.76Å; E308-K315 PolarHBondContact OE1-NZ 2.88Å; E308-Y723 HydrophobicContact CB-CE2 4.04Å; E308-Y723 HydrophobicContact CG-CE2 4.28Å; E308-Y723 WeakPolarHBondContact OE1-CE2 3.11Å; E308-Y723 PolarHBondContact OE1-OH 3.46Å
309	K	77.9	Confident	74.9	Confident	156 Å²	156	80.1 Å²	80.1	68%	0.678	39%	0.39	S	S	*	.	H	α-helix	trans	-61.7	-51.1	175.4	-173.3	-167.2	171.3	-163.8	0	111.9	L307	L307-K309 PolarHBondContact O-N 3.47Å
310	E	76	Confident	74.1	Confident	91 Å²	91	82.7 Å²	82.7	43%	0.425	41%	0.407	S	S	.	.	H	α-helix	trans	-66.8	-43.6	178.9	-65.9	-179.6	-132	0	0	110.2	L307 E312 E313 Y314 M719	L307-E310 PolarHBondContact O-N 3.1Å; L307-E310 VanDerWaalsContact O-N 3.15Å; E310-E312 VanDerWaalsContact C-N 3.33Å; E310-E312 PolarHBondContact O-N 3.27Å; E310-E313 WeakPolarHBondContact O-CB 3.38Å; E310-E313 PolarHBondContact O-N 3.34Å; E310-Y314 WeakPolarHBondContact O-CD2 3.4Å; E310-Y314 WeakPolarHBondContact O-CE2 3.29Å; E310-M719 HydrophobicContact CB-CE 3.82Å; E310-M719 HydrophobicContact CB-SD 3.63Å
311	V	79.4	Confident	73.6	Confident	1 Å²	1	85.3 Å²	85.3	1%	0.006	42%	0.421	C	S	.	.	H	α-helix	trans	-63.1	-33.5	179.2	173.2	0	0	0	0	112.3	L307 E313 Y314 K315 M719 L720 Y723	L307-V311 HydrophobicContact CB-CG2 4.5Å; L307-V311 VanDerWaalsContact O-CB 3.32Å; L307-V311 WeakPolarHBondContact O-CB 3.38Å; L307-V311 WeakPolarHBondContact O-CG2 3.49Å; L307-V311 PolarHBondContact O-N 2.89Å; V311-E313 PolarHBondContact O-N 3.3Å; V311-Y314 CarbonylContact O-C 3.58Å; V311-Y314 WeakPolarHBondContact O-CA 3.41Å; V311-Y314 PolarHBondContact O-N 3.44Å; V311-K315 HydrophobicContact CG1-CG 3.99Å; V311-K315 WeakPolarHBondContact O-CG 3.42Å; V311-K315 PolarHBondContact O-N 2.95Å; V311-M719 HydrophobicContact CG2-CE 3.69Å; V311-M719 HydrophobicContact CG2-CG 4.17Å; V311-M719 HydrophobicContact CG2-SD 4.27Å; V311-L720 HydrophobicContact CG1-CD2 4.09Å; V311-Y723 HydrophobicContact CB-CD2 4.28Å; V311-Y723 HydrophobicContact CB-CG 4.33Å; V311-Y723 HydrophobicContact CG1-CD1 3.86Å; V311-Y723 HydrophobicContact CG1-CD2 4.18Å; V311-Y723 HydrophobicContact CG1-CE1 4.11Å; V311-Y723 HydrophobicContact CG1-CE2 4.42Å; V311-Y723 HydrophobicContact CG1-CG 3.9Å; V311-Y723 HydrophobicContact CG2-CD2 4.14Å; V311-Y723 HydrophobicContact CG2-CG 3.99Å
312	E	74.1	Confident	73	Confident	95 Å²	95	85.3 Å²	85.3	44%	0.444	43%	0.429	S	S	.	.	H	α-helix	trans	-58.9	-35.6	175.6	-163.5	65.1	-126.9	0	0	112.4	E308 E310 Y314 K315	E308-E312 WeakPolarHBondContact O-CB 3.17Å; E308-E312 PolarHBondContact O-N 2.97Å; E310-E312 VanDerWaalsContact C-N 3.33Å; E310-E312 PolarHBondContact O-N 3.27Å; E312-Y314 PolarHBondContact O-N 3.01Å; E312-K315 PolarHBondContact O-N 2.67Å; E312-K315 WeakPolarHBondContact OE2-CD 3.48Å; E312-K315 WeakPolarHBondContact OE2-CE 3.27Å; E312-K315 IonicContact OE2-NZ 3.17Å; E312-K315 PolarHBondContact OE2-NZ 3.33Å
313	E	67.6	Low	72.7	Confident	113 Å²	113	86.6 Å²	86.6	53%	0.528	43%	0.434	S	S	.	.	H	α-helix	trans	-63.6	-30.4	173.8	-55.8	-176.3	-174.4	0	0	111.3	E310 V311 R324	E310-E313 WeakPolarHBondContact O-CB 3.38Å; E310-E313 PolarHBondContact O-N 3.34Å; V311-E313 PolarHBondContact O-N 3.3Å; E313-R324 PolarHBondContact O-NH1 3.03Å; E313-R324 VanDerWaalsContact O-NH1 3.1Å; E313-R324 PolarHBondContact O-NH2 3.22Å
314	Y	64.9	Low	72.3	Confident	64 Å²	64	86.9 Å²	86.9	25%	0.251	43%	0.431	S	S	.	.	H	α-helix	trans	-96.2	-16.9	178.7	-54.2	-74.3	0	0	0	115.5	E310 V311 E312 N316 F317 R716 M719	E310-Y314 WeakPolarHBondContact O-CD2 3.4Å; E310-Y314 WeakPolarHBondContact O-CE2 3.29Å; V311-Y314 CarbonylContact O-C 3.58Å; V311-Y314 WeakPolarHBondContact O-CA 3.41Å; V311-Y314 PolarHBondContact O-N 3.44Å; E312-Y314 PolarHBondContact O-N 3.01Å; Y314-N316 PolarHBondContact O-N 3.34Å; Y314-N316 VanDerWaalsContact O-N 3.12Å; Y314-F317 HydrophobicContact CD1-CD2 4.28Å; Y314-F317 HydrophobicContact CD1-CG 4.4Å; Y314-F317 WeakPolarHBondContact O-CB 3.46Å; Y314-F317 PolarHBondContact O-N 3.29Å; Y314-R716 HydrophobicContact CD1-CG 3.64Å; Y314-R716 HydrophobicContact CE1-CB 4.46Å; Y314-R716 HydrophobicContact CE1-CG 3.87Å; Y314-R716 HydrophobicContact CG-CG 4.06Å; Y314-M719 HydrophobicContact CD2-CE 3.31Å; Y314-M719 HydrophobicContact CE2-CE 3.38Å; Y314-M719 HydrophobicContact CG-CE 4.46Å
315	K	58.9	Low	72	Confident	84 Å²	84	87 Å²	87	37%	0.365	43%	0.431	S	S	.	.	H	α-helix	trans	-57.2	-31.1	178.7	-78.5	176	-162.6	169.8	0	112.3	E308 V311 E312 Y723	E308-K315 IonicContact OE1-NZ 2.76Å; E308-K315 PolarHBondContact OE1-NZ 2.88Å; V311-K315 HydrophobicContact CG1-CG 3.99Å; V311-K315 WeakPolarHBondContact O-CG 3.42Å; V311-K315 PolarHBondContact O-N 2.95Å; E312-K315 PolarHBondContact O-N 2.67Å; E312-K315 WeakPolarHBondContact OE2-CD 3.48Å; E312-K315 WeakPolarHBondContact OE2-CE 3.27Å; E312-K315 IonicContact OE2-NZ 3.17Å; E312-K315 PolarHBondContact OE2-NZ 3.33Å; K315-Y723 PolarHBondContact NZ-OH 3.27Å
316	N	54.6	Low	71.8	Confident	122 Å²	122	83.5 Å²	83.5	65%	0.652	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	25.5	175.6	-62.6	-66.5	0	0	0	112.8	Y314 R324	Y314-N316 PolarHBondContact O-N 3.34Å; Y314-N316 VanDerWaalsContact O-N 3.12Å; N316-R324 PolarHBondContact O-NH1 3.32Å
317	F	56.9	Low	71.7	Confident	47 Å²	47	86 Å²	86	21%	0.206	42%	0.416	C	S	.	.			trans	-92.4	102.4	-179.3	-168.8	-91.9	0	0	0	110.8	Y314 P319	Y314-F317 HydrophobicContact CD1-CD2 4.28Å; Y314-F317 HydrophobicContact CD1-CG 4.4Å; Y314-F317 WeakPolarHBondContact O-CB 3.46Å; Y314-F317 PolarHBondContact O-N 3.29Å; F317-P319 HydrophobicContact CD1-CG 4.11Å; F317-P319 HydrophobicContact CE1-CB 4.09Å; F317-P319 HydrophobicContact CE1-CG 3.84Å
318	R	58.8	Low	71.7	Confident	197 Å²	197	85.3 Å²	85.3	74%	0.743	42%	0.415	S	S	*	.			trans	-94.9	119.5	157.2	-70	-178.4	177	-169.8	-2.1	106.9	D320 D321	R318-D320 PolarHBondContact O-N 3.4Å; R318-D320 VanDerWaalsContact O-N 3.11Å; R318-D321 HydrophobicContact CB-CB 4.11Å; R318-D321 PolarHBondContact O-N 2.95Å
319	P	57.6	Low	71.9	Confident	66 Å²	66	82.7 Å²	82.7	43%	0.429	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.3	179.8	-24.5	32.1	0	0	0	113	F317 K325	F317-P319 HydrophobicContact CD1-CG 4.11Å; F317-P319 HydrophobicContact CE1-CB 4.09Å; F317-P319 HydrophobicContact CE1-CG 3.84Å; P319-K325 WeakPolarHBondContact O-CE 3.21Å
320	D	64.4	Low	72.3	Confident	130 Å²	130	78.2 Å²	78.2	70%	0.695	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	10.3	-170.8	-49.1	-63.7	0	0	0	114.6	R318 P322	R318-D320 PolarHBondContact O-N 3.4Å; R318-D320 VanDerWaalsContact O-N 3.11Å; D320-P322 WeakPolarHBondContact O-CD 3.42Å
321	D	74.3	Confident	73	Confident	56 Å²	56	78.6 Å²	78.6	30%	0.299	39%	0.388	S	S	.	.			trans	-71.5	110.3	174.7	179.8	-8.8	0	0	0	110.4	R318 T323 R324 K325	R318-D321 HydrophobicContact CB-CB 4.11Å; R318-D321 PolarHBondContact O-N 2.95Å; D321-T323 VanDerWaalsContact C-N 3.29Å; D321-T323 PolarHBondContact O-N 3.08Å; D321-T323 WeakPolarHBondContact OD1-CA 3.35Å; D321-T323 WeakPolarHBondContact OD1-CB 3.39Å; D321-T323 PolarHBondContact OD1-N 2.94Å; D321-T323 PolarHBondContact OD1-OG1 3.43Å; D321-R324 HydrophobicContact CB-CB 4.06Å; D321-R324 PolarHBondContact O-N 3.27Å; D321-R324 PolarHBondContact OD1-N 2.85Å; D321-K325 PolarHBondContact O-N 3.13Å; D321-K325 VanDerWaalsContact O-N 3.09Å
322	P	73.4	Confident	73.4	Confident	90 Å²	90	81.1 Å²	81.1	58%	0.584	40%	0.4	S	S	*	.	H	α-helix	trans	-63.2	-39.5	-177.1	-19.1	33.6	0	0	0	111.1	D320 R324 K325 T326	D320-P322 WeakPolarHBondContact O-CD 3.42Å; P322-R324 PolarHBondContact O-N 2.64Å; P322-K325 PolarHBondContact O-N 3.07Å; P322-K325 VanDerWaalsContact O-N 3.09Å; P322-T326 WeakPolarHBondContact O-CB 3.4Å; P322-T326 PolarHBondContact O-N 3.32Å; P322-T326 PolarHBondContact O-OG1 2.99Å
323	T	79.1	Confident	74.2	Confident	107 Å²	107	77 Å²	77	66%	0.656	38%	0.381	S	S	*	.	H	α-helix	trans	-55.7	-39.5	178.1	-16.1	0	0	0	0	111.8	D321 K327	D321-T323 VanDerWaalsContact C-N 3.29Å; D321-T323 PolarHBondContact O-N 3.08Å; D321-T323 WeakPolarHBondContact OD1-CA 3.35Å; D321-T323 WeakPolarHBondContact OD1-CB 3.39Å; D321-T323 PolarHBondContact OD1-N 2.94Å; D321-T323 PolarHBondContact OD1-OG1 3.43Å; T323-K327 WeakPolarHBondContact O-CB 3.45Å; T323-K327 PolarHBondContact O-N 2.91Å; T323-K327 VanDerWaalsContact O-N 3.11Å
324	R	75.8	Confident	75.4	Confident	83 Å²	83	77.1 Å²	77.1	31%	0.313	38%	0.382	S	S	.	.	H	α-helix	trans	-76.1	-38.4	177.9	-167	171.2	175.4	161.2	-0.7	111.9	E313 N316 D321 P322 K327 A328	E313-R324 PolarHBondContact O-NH1 3.03Å; E313-R324 VanDerWaalsContact O-NH1 3.1Å; E313-R324 PolarHBondContact O-NH2 3.22Å; N316-R324 PolarHBondContact O-NH1 3.32Å; D321-R324 HydrophobicContact CB-CB 4.06Å; D321-R324 PolarHBondContact O-N 3.27Å; D321-R324 PolarHBondContact OD1-N 2.85Å; P322-R324 PolarHBondContact O-N 2.64Å; R324-K327 PolarHBondContact O-N 3.1Å; R324-A328 WeakPolarHBondContact O-CB 3.48Å; R324-A328 PolarHBondContact O-N 3.21Å
325	K	78.1	Confident	76.6	Confident	40 Å²	40	78.4 Å²	78.4	17%	0.174	39%	0.39	C	S	.	.	H	α-helix	trans	-60.3	-50.3	171.9	-73.2	-172.9	174.1	-172.3	0	111.8	P319 D321 P322 K327 A328 L329 G703 M706	P319-K325 WeakPolarHBondContact O-CE 3.21Å; D321-K325 PolarHBondContact O-N 3.13Å; D321-K325 VanDerWaalsContact O-N 3.09Å; P322-K325 PolarHBondContact O-N 3.07Å; P322-K325 VanDerWaalsContact O-N 3.09Å; K325-K327 PolarHBondContact O-N 3.44Å; K325-A328 PolarHBondContact O-N 2.68Å; K325-L329 WeakPolarHBondContact O-CB 3.26Å; K325-L329 PolarHBondContact O-N 2.96Å; K325-G703 PolarHBondContact NZ-O 3.26Å; K325-M706 HydrophobicContact CB-CB 4.16Å; K325-M706 HydrophobicContact CB-CG 4.21Å; K325-M706 HydrophobicContact CD-CB 4.01Å; K325-M706 HydrophobicContact CG-CB 4Å
326	T	82.9	Confident	78.3	Confident	47 Å²	47	74.5 Å²	74.5	29%	0.288	37%	0.373	S	S	.	.	H	α-helix	trans	-57.6	-43.6	176.6	-55.1	0	0	0	0	111.8	P322 L330 Y697 Q702	P322-T326 WeakPolarHBondContact O-CB 3.4Å; P322-T326 PolarHBondContact O-N 3.32Å; P322-T326 PolarHBondContact O-OG1 2.99Å; T326-L330 PolarHBondContact O-N 3.5Å; T326-L330 VanDerWaalsContact O-N 3.12Å; T326-Y697 HydrophobicContact CG2-CE1 4.32Å; T326-Y697 WeakPolarHBondContact CG2-OH 3.42Å; T326-Q702 PolarHBondContact OG1-OE1 2.82Å
327	K	84.3	Confident	80.2	Confident	129 Å²	129	68.7 Å²	68.7	56%	0.561	34%	0.342	S	S	*	.	H	α-helix	trans	-66.3	-44.4	175.7	-176.5	-179.1	175	-176.3	0	112.4	T323 R324 K325 L330 Q331	T323-K327 WeakPolarHBondContact O-CB 3.45Å; T323-K327 PolarHBondContact O-N 2.91Å; T323-K327 VanDerWaalsContact O-N 3.11Å; R324-K327 PolarHBondContact O-N 3.1Å; K325-K327 PolarHBondContact O-N 3.44Å; K327-L330 PolarHBondContact O-N 3.38Å; K327-Q331 WeakPolarHBondContact O-CG 2.99Å; K327-Q331 PolarHBondContact O-N 3.15Å
328	A	82.8	Confident	81.9	Confident	19 Å²	19	69.1 Å²	69.1	16%	0.157	35%	0.349	C	S	.	.	H	α-helix	trans	-63.6	-43.8	178.9	0	0	0	0	0	111.5	R324 K325 L330 Q331 M332 M706	R324-A328 WeakPolarHBondContact O-CB 3.48Å; R324-A328 PolarHBondContact O-N 3.21Å; K325-A328 PolarHBondContact O-N 2.68Å; A328-L330 PolarHBondContact O-N 2.94Å; A328-Q331 PolarHBondContact O-N 3.07Å; A328-M332 WeakPolarHBondContact O-CB 3.4Å; A328-M332 VanDerWaalsContact O-CG 3.23Å; A328-M332 WeakPolarHBondContact O-CG 3.37Å; A328-M332 PolarHBondContact O-N 3.32Å; A328-M706 HydrophobicContact CB-CE 3.74Å
329	L	86.9	Confident	83.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-53.8	-52	173.1	176.8	61	0	0	0	111.3	K325 Q331 M332 V333 L452 L693 Y697 L705 M706	K325-L329 WeakPolarHBondContact O-CB 3.26Å; K325-L329 PolarHBondContact O-N 2.96Å; L329-Q331 PolarHBondContact O-N 3.21Å; L329-M332 PolarHBondContact O-N 3.43Å; L329-V333 HydrophobicContact CD1-CG2 3.96Å; L329-V333 VanDerWaalsContact O-CG2 3.32Å; L329-V333 WeakPolarHBondContact O-CG2 3.42Å; L329-V333 PolarHBondContact O-N 2.95Å; L329-L452 HydrophobicContact CD1-CD1 3.46Å; L329-L452 VanDerWaalsContact CD1-CD1 3.46Å; L329-L452 HydrophobicContact CD1-CD2 4.07Å; L329-L452 HydrophobicContact CD1-CG 4.41Å; L329-L693 HydrophobicContact CG-CD1 4.42Å; L329-Y697 HydrophobicContact CD2-CD1 4.37Å; L329-Y697 HydrophobicContact CD2-CE1 3.9Å; L329-L705 HydrophobicContact CD1-CD2 4.04Å; L329-L705 HydrophobicContact CD2-CD2 4.41Å; L329-M706 HydrophobicContact CB-CE 4.31Å; L329-M706 HydrophobicContact CB-CG 4.36Å; L329-M706 HydrophobicContact CB-SD 3.79Å; L329-M706 HydrophobicContact CD1-SD 3.94Å; L329-M706 HydrophobicContact CG-SD 4.41Å
330	L	88.3	Confident	85.2	Confident	61 Å²	61	57.1 Å²	57.1	32%	0.319	30%	0.295	S	S	.	.	H	α-helix	trans	-56	-48.4	177.8	178	65.9	0	0	0	112	T326 K327 A328 Q334 L693	T326-L330 PolarHBondContact O-N 3.5Å; T326-L330 VanDerWaalsContact O-N 3.12Å; K327-L330 PolarHBondContact O-N 3.38Å; A328-L330 PolarHBondContact O-N 2.94Å; L330-Q334 HydrophobicContact CD1-CG 4.28Å; L330-Q334 WeakPolarHBondContact O-CB 3.49Å; L330-Q334 VanDerWaalsContact O-CG 3.24Å; L330-Q334 WeakPolarHBondContact O-CG 3.29Å; L330-Q334 PolarHBondContact O-N 2.84Å; L330-L693 HydrophobicContact CD1-CD2 3.55Å
331	Q	88.7	Confident	86.6	Confident	100 Å²	100	53.7 Å²	53.7	47%	0.467	28%	0.275	S	S	.	.	H	α-helix	trans	-67.2	-38.5	-178.7	-68.3	-175.2	-83.4	0	0	112.5	K327 A328 L329 Q335	K327-Q331 WeakPolarHBondContact O-CG 2.99Å; K327-Q331 PolarHBondContact O-N 3.15Å; A328-Q331 PolarHBondContact O-N 3.07Å; L329-Q331 PolarHBondContact O-N 3.21Å; Q331-Q335 VanDerWaalsContact O-CB 3.31Å; Q331-Q335 WeakPolarHBondContact O-CB 3.45Å; Q331-Q335 PolarHBondContact O-N 2.85Å
332	M	88.8	Confident	87.4	Confident	54 Å²	54	53.1 Å²	53.1	27%	0.266	27%	0.27	S	S	.	.	H	α-helix	trans	-67.8	-42.9	177.5	-69.4	-63.6	95.5	0	0	112.2	A328 L329 Q335 F336 L446 Y449 L452	A328-M332 WeakPolarHBondContact O-CB 3.4Å; A328-M332 VanDerWaalsContact O-CG 3.23Å; A328-M332 WeakPolarHBondContact O-CG 3.37Å; A328-M332 PolarHBondContact O-N 3.32Å; L329-M332 PolarHBondContact O-N 3.43Å; M332-Q335 PolarHBondContact O-N 2.96Å; M332-F336 WeakPolarHBondContact O-CB 3.48Å; M332-F336 PolarHBondContact O-N 2.96Å; M332-L446 HydrophobicContact CB-CD2 3.86Å; M332-L446 HydrophobicContact CG-CD2 4.47Å; M332-L446 HydrophobicContact SD-CD2 4.34Å; M332-Y449 HydrophobicContact CG-CD2 4.48Å; M332-Y449 HydrophobicContact CG-CE2 4.38Å; M332-L452 HydrophobicContact CB-CD2 3.99Å; M332-L452 HydrophobicContact CG-CD2 4.48Å
333	V	91.6	Very high	88.2	Confident	9 Å²	9	51 Å²	51	6%	0.055	26%	0.257	C	S	.	.	H	α-helix	trans	-68.5	-39.7	177.5	175.9	0	0	0	0	111.4	L329 F336 G337 L452 L692 L693 L696	L329-V333 HydrophobicContact CD1-CG2 3.96Å; L329-V333 VanDerWaalsContact O-CG2 3.32Å; L329-V333 WeakPolarHBondContact O-CG2 3.42Å; L329-V333 PolarHBondContact O-N 2.95Å; V333-F336 PolarHBondContact O-N 3.37Å; V333-G337 PolarHBondContact O-N 2.68Å; V333-L452 HydrophobicContact CG2-CD1 4.5Å; V333-L692 HydrophobicContact CG1-CD2 4.17Å; V333-L692 HydrophobicContact CG1-CG 4.29Å; V333-L693 HydrophobicContact CB-CD1 4.17Å; V333-L693 HydrophobicContact CG1-CB 4.17Å; V333-L693 HydrophobicContact CG1-CD1 4.22Å; V333-L693 HydrophobicContact CG2-CD1 4.19Å; V333-L696 HydrophobicContact CG1-CD1 4.4Å; V333-L696 HydrophobicContact CG2-CD1 3.45Å; V333-L696 VanDerWaalsContact CG2-CD1 3.45Å
334	Q	91.6	Very high	88.8	Confident	114 Å²	114	47 Å²	47	53%	0.533	23%	0.231	S	C	.	.	H	α-helix	trans	-62.2	-44.1	173.1	-76	176.4	-20.1	0	0	112.1	L330 G337 V338	L330-Q334 HydrophobicContact CD1-CG 4.28Å; L330-Q334 WeakPolarHBondContact O-CB 3.49Å; L330-Q334 VanDerWaalsContact O-CG 3.24Å; L330-Q334 WeakPolarHBondContact O-CG 3.29Å; L330-Q334 PolarHBondContact O-N 2.84Å; Q334-G337 PolarHBondContact O-N 3.39Å; Q334-V338 WeakPolarHBondContact O-CG2 3.37Å; Q334-V338 PolarHBondContact O-N 3.43Å; Q334-V338 VanDerWaalsContact O-N 3.07Å
335	Q	91.3	Very high	89.5	Confident	91 Å²	91	48.6 Å²	48.6	43%	0.425	24%	0.242	S	C	.	.	H	α-helix	trans	-65	-41.3	177.1	-175.2	59	52.5	0	0	111.8	Q331 M332 G337 V338 D339	Q331-Q335 VanDerWaalsContact O-CB 3.31Å; Q331-Q335 WeakPolarHBondContact O-CB 3.45Å; Q331-Q335 PolarHBondContact O-N 2.85Å; M332-Q335 PolarHBondContact O-N 2.96Å; Q335-G337 VanDerWaalsContact C-N 3.34Å; Q335-G337 PolarHBondContact O-N 3.23Å; Q335-V338 PolarHBondContact O-N 3.34Å; Q335-D339 PolarHBondContact NE2-OD1 2.86Å; Q335-D339 PolarHBondContact NE2-OD2 3.14Å; Q335-D339 VanDerWaalsContact NE2-OD2 3.09Å; Q335-D339 WeakPolarHBondContact O-CB 3.33Å; Q335-D339 VanDerWaalsContact O-CG 3.27Å; Q335-D339 PolarHBondContact O-N 3.14Å
336	F	94.8	Very high	89.8	Confident	3 Å²	3	49.7 Å²	49.7	1%	0.013	27%	0.265	C	S	.	.	H	α-helix	trans	-57.7	-44	173.7	166.7	-99.6	0	0	0	112.1	M332 V333 D339 F340 V439 C442 T443 T456 V460 I688 L692	M332-F336 WeakPolarHBondContact O-CB 3.48Å; M332-F336 PolarHBondContact O-N 2.96Å; V333-F336 PolarHBondContact O-N 3.37Å; F336-D339 PolarHBondContact O-N 3.37Å; F336-F340 WeakPolarHBondContact O-CB 3.48Å; F336-F340 PolarHBondContact O-N 3.33Å; F336-V439 HydrophobicContact CZ-CG1 4.27Å; F336-C442 HydrophobicContact CD2-CB 3.79Å; F336-C442 HydrophobicContact CE2-CB 3.66Å; F336-T443 HydrophobicContact CD2-CG2 4.01Å; F336-T443 HydrophobicContact CE2-CG2 3.51Å; F336-T443 HydrophobicContact CZ-CG2 4.25Å; F336-T456 HydrophobicContact CD1-CG2 4.01Å; F336-T456 HydrophobicContact CD2-CG2 4.41Å; F336-T456 HydrophobicContact CE1-CG2 3.86Å; F336-T456 HydrophobicContact CE2-CG2 4.28Å; F336-T456 HydrophobicContact CG-CG2 4.29Å; F336-T456 HydrophobicContact CZ-CG2 4.01Å; F336-V460 HydrophobicContact CE1-CG2 4.11Å; F336-V460 HydrophobicContact CZ-CG2 4.26Å; F336-I688 HydrophobicContact CD1-CG2 3.96Å; F336-I688 HydrophobicContact CE1-CD1 4.18Å; F336-I688 HydrophobicContact CE1-CG1 4.18Å; F336-I688 HydrophobicContact CE1-CG2 3.74Å; F336-I688 HydrophobicContact CZ-CD1 4.45Å; F336-L692 HydrophobicContact CD1-CD2 3.79Å; F336-L692 HydrophobicContact CE1-CD2 3.65Å
337	G	94.6	Very high	89.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-46.7	176.3	0	0	0	0	0	113.1	V333 Q334 Q335 D339 F340 E341 H689	V333-G337 PolarHBondContact O-N 2.68Å; Q334-G337 PolarHBondContact O-N 3.39Å; Q335-G337 VanDerWaalsContact C-N 3.34Å; Q335-G337 PolarHBondContact O-N 3.23Å; G337-D339 VanDerWaalsContact C-N 3.32Å; G337-D339 PolarHBondContact O-N 3.44Å; G337-F340 PolarHBondContact O-N 3.26Å; G337-E341 WeakPolarHBondContact O-CB 3.35Å; G337-E341 PolarHBondContact O-N 3.01Å; G337-H689 VanDerWaalsContact C-CE1 3.48Å
338	V	92.8	Very high	89.1	Confident	56 Å²	56	45.7 Å²	45.7	34%	0.339	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-38.6	175.9	170.9	0	0	0	0	111.7	Q334 Q335 K342	Q334-V338 WeakPolarHBondContact O-CG2 3.37Å; Q334-V338 PolarHBondContact O-N 3.43Å; Q334-V338 VanDerWaalsContact O-N 3.07Å; Q335-V338 PolarHBondContact O-N 3.34Å; V338-K342 HydrophobicContact CG1-CD 4.15Å; V338-K342 WeakPolarHBondContact O-CB 3.16Å; V338-K342 VanDerWaalsContact O-CG 3.28Å; V338-K342 WeakPolarHBondContact O-CG 3.5Å; V338-K342 PolarHBondContact O-N 2.9Å
339	D	91.6	Very high	88.3	Confident	10 Å²	10	51.2 Å²	51.2	5%	0.053	29%	0.287	C	S	.	.	H	α-helix	trans	-69.3	-38.7	177.2	-75.9	-36.6	0	0	0	112.4	Q335 F336 G337 K342 C343 K445	Q335-D339 PolarHBondContact NE2-OD1 2.86Å; Q335-D339 PolarHBondContact NE2-OD2 3.14Å; Q335-D339 VanDerWaalsContact NE2-OD2 3.09Å; Q335-D339 WeakPolarHBondContact O-CB 3.33Å; Q335-D339 VanDerWaalsContact O-CG 3.27Å; Q335-D339 PolarHBondContact O-N 3.14Å; F336-D339 PolarHBondContact O-N 3.37Å; G337-D339 VanDerWaalsContact C-N 3.32Å; G337-D339 PolarHBondContact O-N 3.44Å; D339-K342 PolarHBondContact O-N 3.21Å; D339-C343 PolarHBondContact O-N 3.03Å; D339-C343 PolarHBondContact O-SG 2.94Å; D339-C343 VanDerWaalsContact O-SG 3.36Å; D339-K445 IonicContact OD1-NZ 2.96Å; D339-K445 PolarHBondContact OD1-NZ 3.42Å; D339-K445 WeakPolarHBondContact OD2-CD 3.22Å; D339-K445 IonicContact OD2-NZ 2.74Å; D339-K445 PolarHBondContact OD2-NZ 3.34Å
340	F	94.1	Very high	87.2	Confident	1 Å²	1	60 Å²	60	0%	0.004	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-46.6	174	178.8	-95.9	0	0	0	111.6	F336 G337 K342 C343 I344 L435 T438 V439 T684 K685 I688	F336-F340 WeakPolarHBondContact O-CB 3.48Å; F336-F340 PolarHBondContact O-N 3.33Å; G337-F340 PolarHBondContact O-N 3.26Å; F340-K342 VanDerWaalsContact C-N 3.34Å; F340-K342 PolarHBondContact O-N 3.21Å; F340-C343 PolarHBondContact O-N 2.79Å; F340-I344 HydrophobicContact CD1-CG1 4.35Å; F340-I344 HydrophobicContact CE1-CG1 4.01Å; F340-I344 HydrophobicContact CE2-CD1 4.48Å; F340-I344 HydrophobicContact CE2-CG1 4.18Å; F340-I344 HydrophobicContact CZ-CD1 4.38Å; F340-I344 HydrophobicContact CZ-CG1 3.93Å; F340-I344 WeakPolarHBondContact O-CG1 3.19Å; F340-I344 PolarHBondContact O-N 3.29Å; F340-L435 HydrophobicContact CE2-CD1 4.12Å; F340-L435 HydrophobicContact CZ-CD1 3.76Å; F340-T438 HydrophobicContact CD2-CG2 4.09Å; F340-T438 HydrophobicContact CE2-CG2 4.22Å; F340-V439 HydrophobicContact CD2-CG2 4.17Å; F340-V439 HydrophobicContact CE2-CG2 3.76Å; F340-T684 HydrophobicContact CE1-CG2 4.45Å; F340-T684 HydrophobicContact CZ-CG2 4.05Å; F340-K685 HydrophobicContact CE1-CB 4.35Å; F340-I688 HydrophobicContact CD1-CD1 3.56Å; F340-I688 HydrophobicContact CD2-CD1 4.14Å; F340-I688 HydrophobicContact CE1-CD1 3.61Å; F340-I688 HydrophobicContact CE2-CD1 4.18Å; F340-I688 HydrophobicContact CG-CD1 3.82Å; F340-I688 HydrophobicContact CZ-CD1 3.92Å
341	E	92.5	Very high	86.4	Confident	57 Å²	57	62.6 Å²	62.6	27%	0.266	35%	0.346	S	S	.	.	H	α-helix	trans	-57.5	-45.7	174.1	-177.3	168	-120	0	0	111.3	G337 C343 I344 E345 K685	G337-E341 WeakPolarHBondContact O-CB 3.35Å; G337-E341 PolarHBondContact O-N 3.01Å; E341-C343 PolarHBondContact O-N 3.08Å; E341-I344 PolarHBondContact O-N 3.17Å; E341-E345 HydrophobicContact CG-CG 4.4Å; E341-E345 WeakPolarHBondContact O-CB 3.08Å; E341-E345 PolarHBondContact O-N 3.05Å; E341-K685 HydrophobicContact CB-CD 4.2Å; E341-K685 HydrophobicContact CG-CD 3.93Å; E341-K685 WeakPolarHBondContact OE1-CE 3.42Å; E341-K685 IonicContact OE1-NZ 2.73Å; E341-K685 PolarHBondContact OE1-NZ 3.1Å
342	K	90.9	Very high	85.4	Confident	44 Å²	44	61.7 Å²	61.7	19%	0.191	34%	0.344	C	S	.	.	H	α-helix	trans	-59.6	-40.2	175	-79.4	177.2	159.6	-179.4	0	113.7	V338 D339 F340 G346 S347 D349	V338-K342 HydrophobicContact CG1-CD 4.15Å; V338-K342 WeakPolarHBondContact O-CB 3.16Å; V338-K342 VanDerWaalsContact O-CG 3.28Å; V338-K342 WeakPolarHBondContact O-CG 3.5Å; V338-K342 PolarHBondContact O-N 2.9Å; D339-K342 PolarHBondContact O-N 3.21Å; F340-K342 VanDerWaalsContact C-N 3.34Å; F340-K342 PolarHBondContact O-N 3.21Å; K342-G346 WeakPolarHBondContact O-CA 3.3Å; K342-G346 PolarHBondContact O-N 3.35Å; K342-S347 WeakPolarHBondContact CE-O 3.45Å; K342-S347 PolarHBondContact O-N 3.2Å; K342-D349 IonicContact NZ-OD1 2.65Å; K342-D349 PolarHBondContact NZ-OD1 3.34Å; K342-D349 IonicContact NZ-OD2 3.76Å; K342-D349 PolarHBondContact NZ-OD2 2.89Å
343	C	90.4	Very high	84.9	Confident	47 Å²	47	65.9 Å²	65.9	32%	0.318	37%	0.373	S	S	.	.	H	α-helix	trans	-74.1	-24.6	177.8	-72.6	0	0	0	0	114	D339 F340 E341 G359 T438	D339-C343 PolarHBondContact O-N 3.03Å; D339-C343 PolarHBondContact O-SG 2.94Å; D339-C343 VanDerWaalsContact O-SG 3.36Å; F340-C343 PolarHBondContact O-N 2.79Å; E341-C343 PolarHBondContact O-N 3.08Å; C343-G359 PolarHBondContact O-N 3.2Å; C343-T438 HydrophobicContact CB-CG2 3.63Å
344	I	92.8	Very high	84	Confident	22 Å²	22	69.7 Å²	69.7	11%	0.113	40%	0.4	C	S	.	.	H	α-helix	trans	-89	-37.3	177.4	-65.5	-62.6	0	0	0	112.1	F340 E341 G359 I362 L435 T438 I681	F340-I344 HydrophobicContact CD1-CG1 4.35Å; F340-I344 HydrophobicContact CE1-CG1 4.01Å; F340-I344 HydrophobicContact CE2-CD1 4.48Å; F340-I344 HydrophobicContact CE2-CG1 4.18Å; F340-I344 HydrophobicContact CZ-CD1 4.38Å; F340-I344 HydrophobicContact CZ-CG1 3.93Å; F340-I344 WeakPolarHBondContact O-CG1 3.19Å; F340-I344 PolarHBondContact O-N 3.29Å; E341-I344 PolarHBondContact O-N 3.17Å; I344-G359 WeakPolarHBondContact O-CA 3.26Å; I344-I362 HydrophobicContact CD1-CD1 3.95Å; I344-L435 HydrophobicContact CD1-CD1 3.79Å; I344-T438 HydrophobicContact CD1-CG2 4.02Å; I344-T438 HydrophobicContact CG1-CG2 4.37Å; I344-I681 HydrophobicContact CG2-CG2 3.75Å
345	E	90.1	Very high	83.2	Confident	117 Å²	117	69.5 Å²	69.5	55%	0.547	40%	0.403	S	S	.	.	H	α-helix	trans	-94.4	-12.1	-178.1	-60.5	-170.3	174.1	0	0	113.8	E341 K685	E341-E345 HydrophobicContact CG-CG 4.4Å; E341-E345 WeakPolarHBondContact O-CB 3.08Å; E341-E345 PolarHBondContact O-N 3.05Å; E345-K685 IonicContact OE1-NZ 3.12Å; E345-K685 PolarHBondContact OE1-NZ 3.44Å
346	G	84.8	Confident	82.7	Confident	63 Å²	63	69.4 Å²	69.4	65%	0.649	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	18.6	179.9	0	0	0	0	0	114.4	K342 G348	K342-G346 WeakPolarHBondContact O-CA 3.3Å; K342-G346 PolarHBondContact O-N 3.35Å; G346-G348 PolarHBondContact O-N 3.3Å
347	S	80.9	Confident	82	Confident	62 Å²	62	71.4 Å²	71.4	43%	0.434	42%	0.419	S	S	.	.			trans	-94.2	24.9	-173.8	53.7	0	0	0	0	114.3	K342	K342-S347 WeakPolarHBondContact CE-O 3.45Å; K342-S347 PolarHBondContact O-N 3.2Å
348	G	70	Confident	81.6	Confident	30 Å²	30	71.4 Å²	71.4	31%	0.309	42%	0.419	S	S	.	.			trans	-70.2	145.6	-178.8	0	0	0	0	0	114.6	G346 Q350	G346-G348 PolarHBondContact O-N 3.3Å; G348-Q350 PolarHBondContact O-N 3.44Å
349	D	67.4	Low	81.5	Confident	135 Å²	135	69.5 Å²	69.5	72%	0.722	41%	0.411	S	S	*	.	S	Bend	trans	-75.2	-14.4	179.3	-29.3	-89.6	0	0	0	112.8	K342	K342-D349 IonicContact NZ-OD1 2.65Å; K342-D349 PolarHBondContact NZ-OD1 3.34Å; K342-D349 IonicContact NZ-OD2 3.76Å; K342-D349 PolarHBondContact NZ-OD2 2.89Å
350	Q	64.1	Low	81.4	Confident	184 Å²	184	71.2 Å²	71.2	86%	0.86	43%	0.427	S	S	*	.	S	Bend	trans	-127.5	127.7	169.8	-64.3	-178.1	2.8	0	0	107.6	G348	G348-Q350 PolarHBondContact O-N 3.44Å
351	V	70.4	Confident	81.3	Confident	116 Å²	116	74.2 Å²	74.2	70%	0.703	44%	0.44	S	S	*	.			trans	-103.1	122.9	178.7	-179.1	0	0	0	0	108.2	T353	V351-T353 PolarHBondContact O-N 2.82Å
352	D	67.5	Low	81.4	Confident	80 Å²	80	71.8 Å²	71.8	43%	0.428	43%	0.428	S	S	.	.			trans	-68.4	118.5	170.2	-174.7	-3.1	0	0	0	109.2	S354 N355	D352-S354 WeakPolarHBondContact OD1-CA 2.9Å; D352-S354 WeakPolarHBondContact OD1-CB 3.31Å; D352-S354 PolarHBondContact OD1-N 2.77Å; D352-S354 PolarHBondContact OD1-OG 3.29Å; D352-N355 PolarHBondContact OD1-N 3.42Å
353	T	78.9	Confident	81.6	Confident	143 Å²	143	74.2 Å²	74.2	88%	0.877	44%	0.443	S	S	*	.	S	Bend	trans	-93.2	-0.8	177.9	59.3	0	0	0	0	113.1	V351	V351-T353 PolarHBondContact O-N 2.82Å
354	S	71.8	Confident	81.7	Confident	88 Å²	88	75 Å²	75	62%	0.615	44%	0.44	S	S	*	.	S	Bend	trans	-103.5	-34.1	-175.5	69.4	0	0	0	0	113.7	D352	D352-S354 WeakPolarHBondContact OD1-CA 2.9Å; D352-S354 WeakPolarHBondContact OD1-CB 3.31Å; D352-S354 PolarHBondContact OD1-N 2.77Å; D352-S354 PolarHBondContact OD1-OG 3.29Å
355	N	75.3	Confident	81.8	Confident	110 Å²	110	75 Å²	75	59%	0.588	44%	0.44	S	S	*	.	S	Bend	trans	-134.1	147	-176.6	-64.5	-83.4	0	0	0	112.7	D352	D352-N355 PolarHBondContact OD1-N 3.42Å
356	L	80.1	Confident	82	Confident	89 Å²	89	69.9 Å²	69.9	47%	0.466	42%	0.415	S	S	.	.			trans	-71.5	135.9	163.1	-64.3	171.6	0	0	0	109.4	A360 K361	L356-A360 HydrophobicContact CD2-CB 4.15Å; L356-K361 HydrophobicContact CB-CG 3.89Å; L356-K361 WeakPolarHBondContact O-CE 3.42Å
357	S	80.4	Confident	82.2	Confident	46 Å²	46	72.4 Å²	72.4	32%	0.322	41%	0.41	S	S	.	.			trans	-135.5	150.2	-178.5	53.3	0	0	0	0	112.1	G359 A360	S357-G359 PolarHBondContact O-N 2.85Å; S357-A360 WeakPolarHBondContact O-CB 3.36Å; S357-A360 PolarHBondContact O-N 2.74Å
358	G	86.4	Confident	82.6	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	-118.3	168.5	0	0	0	0	0	114.4	A360 K361 I362 E434 T438	G358-A360 PolarHBondContact O-N 2.92Å; G358-K361 PolarHBondContact O-N 3.19Å; G358-K361 VanDerWaalsContact O-N 3.08Å; G358-I362 PolarHBondContact O-N 3.28Å; G358-E434 PolarHBondContact N-OE1 3.31Å; G358-T438 WeakPolarHBondContact CA-OG1 3.15Å
359	G	90.5	Very high	83.4	Confident	16 Å²	16	76.4 Å²	76.4	17%	0.165	41%	0.41	C	S	.	.	H	α-helix	trans	-53.6	-34.7	-178.9	0	0	0	0	0	114.7	C343 I344 S357 I362 N363	C343-G359 PolarHBondContact O-N 3.2Å; I344-G359 WeakPolarHBondContact O-CA 3.26Å; S357-G359 PolarHBondContact O-N 2.85Å; G359-I362 PolarHBondContact O-N 3.04Å; G359-N363 VanDerWaalsContact O-CB 3.3Å; G359-N363 WeakPolarHBondContact O-CB 3.41Å; G359-N363 PolarHBondContact O-N 2.81Å
360	A	90.4	Very high	84.6	Confident	46 Å²	46	70.1 Å²	70.1	38%	0.38	38%	0.376	S	S	.	.	H	α-helix	trans	-68.4	-36.5	179.4	0	0	0	0	0	112.4	L356 S357 G358 R364	L356-A360 HydrophobicContact CD2-CB 4.15Å; S357-A360 WeakPolarHBondContact O-CB 3.36Å; S357-A360 PolarHBondContact O-N 2.74Å; G358-A360 PolarHBondContact O-N 2.92Å; A360-R364 PolarHBondContact O-N 2.76Å
361	K	91.8	Very high	85.9	Confident	64 Å²	64	62.7 Å²	62.7	28%	0.278	34%	0.344	S	S	.	.	H	α-helix	trans	-72.6	-39.7	172.1	-78.5	168.6	167.4	177.7	0	112	L356 G358 N363 R364 I365 E434	L356-K361 HydrophobicContact CB-CG 3.89Å; L356-K361 WeakPolarHBondContact O-CE 3.42Å; G358-K361 PolarHBondContact O-N 3.19Å; G358-K361 VanDerWaalsContact O-N 3.08Å; K361-N363 VanDerWaalsContact C-N 3.34Å; K361-N363 PolarHBondContact O-N 2.83Å; K361-R364 CarbonylContact O-C 3.59Å; K361-R364 WeakPolarHBondContact O-CB 3.43Å; K361-R364 PolarHBondContact O-N 2.94Å; K361-R364 VanDerWaalsContact O-N 3.14Å; K361-I365 WeakPolarHBondContact O-CG1 3.49Å; K361-I365 PolarHBondContact O-N 2.53Å; K361-E434 HydrophobicContact CB-CG 3.98Å; K361-E434 HydrophobicContact CD-CG 3.82Å; K361-E434 WeakPolarHBondContact CD-OE1 3.37Å; K361-E434 WeakPolarHBondContact CD-OE2 3.46Å; K361-E434 IonicContact NZ-OE1 2.76Å; K361-E434 PolarHBondContact NZ-OE1 2.74Å; K361-E434 IonicContact NZ-OE2 2.66Å; K361-E434 PolarHBondContact NZ-OE2 2.7Å
362	I	94.7	Very high	86.5	Confident	5 Å²	5	59.5 Å²	59.5	3%	0.026	32%	0.321	C	S	.	.	H	α-helix	trans	-60.7	-44.9	176.8	-68.2	170.8	0	0	0	110.5	I344 G358 G359 R364 I365 F366 V431 E434 L435 I681	I344-I362 HydrophobicContact CD1-CD1 3.95Å; G358-I362 PolarHBondContact O-N 3.28Å; G359-I362 PolarHBondContact O-N 3.04Å; I362-R364 VanDerWaalsContact C-N 3.33Å; I362-R364 PolarHBondContact O-N 3.04Å; I362-I365 WeakPolarHBondContact O-CB 3.03Å; I362-I365 PolarHBondContact O-N 3.15Å; I362-I365 VanDerWaalsContact O-N 3.15Å; I362-F366 HydrophobicContact CG2-CD2 3.98Å; I362-F366 HydrophobicContact CG2-CE2 3.44Å; I362-F366 VanDerWaalsContact CG2-CE2 3.44Å; I362-F366 HydrophobicContact CG2-CZ 3.82Å; I362-F366 WeakPolarHBondContact O-CD2 3.36Å; I362-F366 WeakPolarHBondContact O-CG 3.2Å; I362-F366 PolarHBondContact O-N 2.89Å; I362-V431 HydrophobicContact CD1-CG1 4.49Å; I362-V431 HydrophobicContact CG1-CG1 4.44Å; I362-V431 HydrophobicContact CG2-CG1 4.32Å; I362-V431 HydrophobicContact CG2-CG2 4.42Å; I362-E434 HydrophobicContact CG1-CB 4.33Å; I362-E434 HydrophobicContact CG1-CG 4.31Å; I362-L435 HydrophobicContact CD1-CD1 4.48Å; I362-I681 HydrophobicContact CD1-CD1 4.35Å; I362-I681 HydrophobicContact CG2-CD1 3.82Å
363	N	93.8	Very high	87.2	Confident	95 Å²	95	56.7 Å²	56.7	51%	0.508	31%	0.305	S	S	.	.	H	α-helix	trans	-53.9	-48.1	171.2	-177.9	-17.3	0	0	0	111.3	G359 K361 I365 F366 H367	G359-N363 VanDerWaalsContact O-CB 3.3Å; G359-N363 WeakPolarHBondContact O-CB 3.41Å; G359-N363 PolarHBondContact O-N 2.81Å; K361-N363 VanDerWaalsContact C-N 3.34Å; K361-N363 PolarHBondContact O-N 2.83Å; N363-I365 PolarHBondContact O-N 3.39Å; N363-F366 PolarHBondContact O-N 3.23Å; N363-H367 WeakPolarHBondContact O-CB 3.29Å; N363-H367 PolarHBondContact O-CD2 2.72Å; N363-H367 PolarHBondContact O-N 3.42Å; N363-H367 PolarHBondContact OD1-CD2 2.69Å; N363-H367 VanDerWaalsContact OD1-CD2 3.3Å
364	R	92.9	Very high	87.5	Confident	64 Å²	64	50.3 Å²	50.3	24%	0.242	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-33.7	176.6	-175.1	156	170.9	-120.1	-8.4	114	A360 K361 I362 E368 R369 E607	A360-R364 PolarHBondContact O-N 2.76Å; K361-R364 CarbonylContact O-C 3.59Å; K361-R364 WeakPolarHBondContact O-CB 3.43Å; K361-R364 PolarHBondContact O-N 2.94Å; K361-R364 VanDerWaalsContact O-N 3.14Å; I362-R364 VanDerWaalsContact C-N 3.33Å; I362-R364 PolarHBondContact O-N 3.04Å; R364-E368 WeakPolarHBondContact CD-OE2 3.26Å; R364-E368 HydrophobicContact CG-CB 4.08Å; R364-E368 HydrophobicContact CG-CG 4.1Å; R364-E368 IonicContact CZ-OE2 3.69Å; R364-E368 IonicContact NE-OE1 3.06Å; R364-E368 IonicContact NE-OE2 3.52Å; R364-E368 PolarHBondContact NE-OE2 2.99Å; R364-E368 IonicContact NH2-OE2 2.7Å; R364-E368 WeakPolarHBondContact O-CA 3.39Å; R364-E368 WeakPolarHBondContact O-CB 3.45Å; R364-E368 PolarHBondContact O-N 3.1Å; R364-R369 PolarHBondContact O-N 3.02Å; R364-E607 IonicContact CZ-OE1 3.55Å; R364-E607 IonicContact NH1-OE1 3.12Å; R364-E607 PolarHBondContact NH1-OE1 2.86Å; R364-E607 IonicContact NH2-OE1 3.32Å; R364-E607 PolarHBondContact NH2-OE1 3.21Å
365	I	94.4	Very high	87.8	Confident	22 Å²	22	48.3 Å²	48.3	11%	0.113	25%	0.249	C	C	.	.	I	π-helix	trans	-62.3	-48.7	171.6	-68.5	160.6	0	0	0	109.9	K361 I362 N363 R369 F370 L430 V431	K361-I365 WeakPolarHBondContact O-CG1 3.49Å; K361-I365 PolarHBondContact O-N 2.53Å; I362-I365 WeakPolarHBondContact O-CB 3.03Å; I362-I365 PolarHBondContact O-N 3.15Å; I362-I365 VanDerWaalsContact O-N 3.15Å; N363-I365 PolarHBondContact O-N 3.39Å; I365-R369 PolarHBondContact O-N 2.84Å; I365-F370 WeakPolarHBondContact O-CB 3.15Å; I365-F370 PolarHBondContact O-N 3.27Å; I365-L430 HydrophobicContact CD1-CB 4.04Å; I365-L430 HydrophobicContact CG1-CB 4.39Å; I365-L430 HydrophobicContact CG2-CB 4.06Å; I365-V431 HydrophobicContact CB-CG2 4.43Å; I365-V431 HydrophobicContact CD1-CG2 4.41Å; I365-V431 HydrophobicContact CG2-CG2 3.88Å
366	F	94.6	Very high	87.7	Confident	9 Å²	9	50 Å²	50	4%	0.039	25%	0.251	C	S	.	.	I	π-helix	trans	-66.6	-39.8	-179.8	-66.6	-32.9	0	0	0	114.2	I362 N363 P371 V431 P673 I676 M677 I681	I362-F366 HydrophobicContact CG2-CD2 3.98Å; I362-F366 HydrophobicContact CG2-CE2 3.44Å; I362-F366 VanDerWaalsContact CG2-CE2 3.44Å; I362-F366 HydrophobicContact CG2-CZ 3.82Å; I362-F366 WeakPolarHBondContact O-CD2 3.36Å; I362-F366 WeakPolarHBondContact O-CG 3.2Å; I362-F366 PolarHBondContact O-N 2.89Å; N363-F366 PolarHBondContact O-N 3.23Å; F366-P371 VanDerWaalsContact O-CD 3.29Å; F366-P371 WeakPolarHBondContact O-CD 3.32Å; F366-V431 HydrophobicContact CD1-CG2 4.35Å; F366-V431 HydrophobicContact CE1-CG2 3.67Å; F366-V431 HydrophobicContact CZ-CG2 4.07Å; F366-P673 HydrophobicContact CB-CB 4.08Å; F366-P673 HydrophobicContact CB-CG 3.89Å; F366-P673 HydrophobicContact CD1-CB 3.94Å; F366-P673 HydrophobicContact CD1-CG 4.06Å; F366-P673 HydrophobicContact CD2-CB 3.89Å; F366-P673 HydrophobicContact CE1-CB 4.3Å; F366-P673 HydrophobicContact CE2-CB 4.25Å; F366-P673 HydrophobicContact CG-CB 3.72Å; F366-P673 HydrophobicContact CG-CG 3.97Å; F366-P673 HydrophobicContact CZ-CB 4.45Å; F366-I676 HydrophobicContact CE1-CB 4.02Å; F366-I676 HydrophobicContact CE1-CD1 3.81Å; F366-I676 HydrophobicContact CE1-CG2 4.04Å; F366-I676 HydrophobicContact CZ-CB 3.98Å; F366-I676 HydrophobicContact CZ-CG2 3.83Å; F366-M677 HydrophobicContact CE2-CG 3.95Å; F366-M677 HydrophobicContact CE2-SD 4.02Å; F366-M677 HydrophobicContact CZ-CG 4.38Å; F366-I681 HydrophobicContact CE2-CD1 4.41Å; F366-I681 HydrophobicContact CZ-CD1 4.19Å
367	H	90.3	Very high	87.1	Confident	116 Å²	116	48.2 Å²	48.2	54%	0.537	24%	0.241	S	C	.	.	I	π-helix	trans	-110.8	-15.3	-166.4	-63.6	-67.3	0	0	0	115.4	N363	N363-H367 WeakPolarHBondContact O-CB 3.29Å; N363-H367 PolarHBondContact O-CD2 2.72Å; N363-H367 PolarHBondContact O-N 3.42Å; N363-H367 PolarHBondContact OD1-CD2 2.69Å; N363-H367 VanDerWaalsContact OD1-CD2 3.3Å
368	E	88.2	Confident	86.2	Confident	77 Å²	77	50.9 Å²	50.9	36%	0.36	25%	0.248	S	C	.	.	I	π-helix	trans	-111	-57.2	168.5	-63.6	179	-158.5	0	0	111.7	R364 F372	R364-E368 WeakPolarHBondContact CD-OE2 3.26Å; R364-E368 HydrophobicContact CG-CB 4.08Å; R364-E368 HydrophobicContact CG-CG 4.1Å; R364-E368 IonicContact CZ-OE2 3.69Å; R364-E368 IonicContact NE-OE1 3.06Å; R364-E368 IonicContact NE-OE2 3.52Å; R364-E368 PolarHBondContact NE-OE2 2.99Å; R364-E368 IonicContact NH2-OE2 2.7Å; R364-E368 WeakPolarHBondContact O-CA 3.39Å; R364-E368 WeakPolarHBondContact O-CB 3.45Å; R364-E368 PolarHBondContact O-N 3.1Å; E368-F372 WeakPolarHBondContact O-CB 3.39Å; E368-F372 PolarHBondContact O-N 3.41Å
369	R	88.3	Confident	85.1	Confident	99 Å²	99	53 Å²	53	37%	0.374	26%	0.258	S	S	.	.	I	π-helix	trans	-72	-47.4	-167.3	-172.9	66.6	-162.1	-150.5	6.4	113	R364 I365 F372 E373 L430	R364-R369 PolarHBondContact O-N 3.02Å; I365-R369 PolarHBondContact O-N 2.84Å; R369-F372 WeakPolarHBondContact O-CB 3.22Å; R369-F372 PolarHBondContact O-N 2.85Å; R369-E373 IonicContact CZ-OE2 3.93Å; R369-E373 IonicContact NE-OE2 3.64Å; R369-E373 PolarHBondContact NE-OE2 2.96Å; R369-E373 IonicContact NH2-OE1 3.57Å; R369-E373 IonicContact NH2-OE2 2.71Å; R369-E373 PolarHBondContact NH2-OE2 2.93Å; R369-E373 PolarHBondContact O-N 2.9Å; R369-L430 HydrophobicContact CG-CD1 4.24Å
370	F	92.7	Very high	84.2	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-44.9	-178.4	176	-122	0	0	0	112.8	I365 F372 E373 L374 P423 C427 I668 R669 M672	I365-F370 WeakPolarHBondContact O-CB 3.15Å; I365-F370 PolarHBondContact O-N 3.27Å; F370-F372 VanDerWaalsContact C-N 3.31Å; F370-F372 PolarHBondContact O-N 3.19Å; F370-E373 PolarHBondContact O-N 2.94Å; F370-L374 HydrophobicContact CD1-CD1 4.32Å; F370-L374 HydrophobicContact CD2-CD1 4.47Å; F370-L374 HydrophobicContact CD2-CG 4.31Å; F370-L374 HydrophobicContact CE1-CD1 3.86Å; F370-L374 HydrophobicContact CE2-CD1 4.01Å; F370-L374 HydrophobicContact CE2-CD2 4.04Å; F370-L374 HydrophobicContact CE2-CG 3.91Å; F370-L374 HydrophobicContact CZ-CD1 3.69Å; F370-L374 HydrophobicContact CZ-CD2 4.19Å; F370-L374 HydrophobicContact CZ-CG 4.09Å; F370-L374 WeakPolarHBondContact O-CG 3.43Å; F370-L374 PolarHBondContact O-N 2.96Å; F370-P423 HydrophobicContact CE2-CB 4.34Å; F370-C427 HydrophobicContact CB-CB 4.36Å; F370-C427 HydrophobicContact CD2-CB 3.66Å; F370-C427 HydrophobicContact CE2-CB 4.16Å; F370-C427 HydrophobicContact CG-CB 4.08Å; F370-I668 HydrophobicContact CE1-CG2 4.29Å; F370-I668 HydrophobicContact CZ-CG2 3.82Å; F370-R669 HydrophobicContact CE1-CG 4.49Å; F370-M672 HydrophobicContact CD1-CB 4.45Å; F370-M672 HydrophobicContact CE1-CB 3.65Å; F370-M672 HydrophobicContact CE1-CG 3.83Å; F370-M672 HydrophobicContact CZ-CB 4.06Å; F370-M672 HydrophobicContact CZ-CG 3.73Å
371	P	89.4	Confident	83.6	Confident	28 Å²	28	57.4 Å²	57.4	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-37.3	170.9	-27.2	36.5	0	0	0	113.8	F366 V375 R669	F366-P371 VanDerWaalsContact O-CD 3.29Å; F366-P371 WeakPolarHBondContact O-CD 3.32Å; P371-V375 WeakPolarHBondContact O-CG2 3.47Å; P371-V375 PolarHBondContact O-N 3.28Å; P371-V375 VanDerWaalsContact O-N 3.11Å; P371-R669 HydrophobicContact CG-CG 4.48Å
372	F	83.8	Confident	83.1	Confident	49 Å²	49	62.5 Å²	62.5	22%	0.215	29%	0.291	C	S	.	.	H	α-helix	trans	-65.4	-44.3	173.7	171.1	-96.1	0	0	0	112.2	E368 R369 F370 L374 V375 K376 A614 L617	E368-F372 WeakPolarHBondContact O-CB 3.39Å; E368-F372 PolarHBondContact O-N 3.41Å; R369-F372 WeakPolarHBondContact O-CB 3.22Å; R369-F372 PolarHBondContact O-N 2.85Å; F370-F372 VanDerWaalsContact C-N 3.31Å; F370-F372 PolarHBondContact O-N 3.19Å; F372-L374 VanDerWaalsContact C-N 3.29Å; F372-L374 PolarHBondContact O-N 3.16Å; F372-V375 PolarHBondContact O-N 3.32Å; F372-K376 HydrophobicContact CE1-CD 4.23Å; F372-K376 HydrophobicContact CZ-CD 4.43Å; F372-K376 WeakPolarHBondContact O-CB 3.4Å; F372-K376 PolarHBondContact O-N 3.42Å; F372-A614 HydrophobicContact CD2-CB 4.31Å; F372-L617 HydrophobicContact CD2-CD1 4.12Å; F372-L617 HydrophobicContact CE2-CD1 4.04Å
373	E	83.1	Confident	82.6	Confident	21 Å²	21	66.9 Å²	66.9	10%	0.098	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-35	179.8	-146.8	80.9	-158.8	0	0	111.7	R369 F370 P423 K426	R369-E373 IonicContact CZ-OE2 3.93Å; R369-E373 IonicContact NE-OE2 3.64Å; R369-E373 PolarHBondContact NE-OE2 2.96Å; R369-E373 IonicContact NH2-OE1 3.57Å; R369-E373 IonicContact NH2-OE2 2.71Å; R369-E373 PolarHBondContact NH2-OE2 2.93Å; R369-E373 PolarHBondContact O-N 2.9Å; F370-E373 PolarHBondContact O-N 2.94Å; E373-P423 HydrophobicContact CB-CB 4.25Å; E373-P423 HydrophobicContact CG-CB 4.14Å; E373-K426 HydrophobicContact CG-CD 4.25Å; E373-K426 IonicContact OE1-NZ 3.48Å; E373-K426 PolarHBondContact OE1-NZ 2.9Å
374	L	84.7	Confident	82.3	Confident	9 Å²	9	62.6 Å²	62.6	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-65.5	-45.5	172.2	-69.7	172.2	0	0	0	112.7	F370 F372 K376 M377 L420 P423 R669	F370-L374 HydrophobicContact CD1-CD1 4.32Å; F370-L374 HydrophobicContact CD2-CD1 4.47Å; F370-L374 HydrophobicContact CD2-CG 4.31Å; F370-L374 HydrophobicContact CE1-CD1 3.86Å; F370-L374 HydrophobicContact CE2-CD1 4.01Å; F370-L374 HydrophobicContact CE2-CD2 4.04Å; F370-L374 HydrophobicContact CE2-CG 3.91Å; F370-L374 HydrophobicContact CZ-CD1 3.69Å; F370-L374 HydrophobicContact CZ-CD2 4.19Å; F370-L374 HydrophobicContact CZ-CG 4.09Å; F370-L374 WeakPolarHBondContact O-CG 3.43Å; F370-L374 PolarHBondContact O-N 2.96Å; F372-L374 VanDerWaalsContact C-N 3.29Å; F372-L374 PolarHBondContact O-N 3.16Å; L374-K376 VanDerWaalsContact C-N 3.33Å; L374-M377 HydrophobicContact CD2-CE 4.48Å; L374-M377 PolarHBondContact O-N 3.4Å; L374-L420 HydrophobicContact CD2-CD2 3.8Å; L374-P423 HydrophobicContact CD2-CB 4.22Å; L374-P423 HydrophobicContact CD2-CG 3.77Å; L374-R669 HydrophobicContact CD1-CG 3.47Å; L374-R669 VanDerWaalsContact CD1-CG 3.47Å
375	V	78.3	Confident	82	Confident	45 Å²	45	63.1 Å²	63.1	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-69	-31.3	177.5	170.9	0	0	0	0	111.6	P371 F372 M377 E378 L617	P371-V375 WeakPolarHBondContact O-CG2 3.47Å; P371-V375 PolarHBondContact O-N 3.28Å; P371-V375 VanDerWaalsContact O-N 3.11Å; F372-V375 PolarHBondContact O-N 3.32Å; V375-M377 PolarHBondContact O-N 2.91Å; V375-M377 VanDerWaalsContact O-N 3.16Å; V375-E378 VanDerWaalsContact O-CB 3.28Å; V375-E378 WeakPolarHBondContact O-CB 3.36Å; V375-E378 VanDerWaalsContact O-CG 3.3Å; V375-E378 WeakPolarHBondContact O-CG 3.2Å; V375-E378 PolarHBondContact O-N 3.42Å; V375-L617 HydrophobicContact CG1-CD2 4.48Å
376	K	72.2	Confident	81.8	Confident	145 Å²	145	67.9 Å²	67.9	63%	0.63	31%	0.31	S	S	*	.	H	α-helix	trans	-61.9	-21.6	175	-176	175.4	175.6	-175.8	0	112.9	F372 L374 E378	F372-K376 HydrophobicContact CE1-CD 4.23Å; F372-K376 HydrophobicContact CZ-CD 4.43Å; F372-K376 WeakPolarHBondContact O-CB 3.4Å; F372-K376 PolarHBondContact O-N 3.42Å; L374-K376 VanDerWaalsContact C-N 3.33Å; K376-E378 PolarHBondContact O-N 2.85Å
377	M	68.1	Low	81.5	Confident	53 Å²	53	68.5 Å²	68.5	26%	0.261	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	5.7	173	-56.1	-162.4	-49.9	0	0	114.2	L374 V375 F379 K419 L420 P423	L374-M377 HydrophobicContact CD2-CE 4.48Å; L374-M377 PolarHBondContact O-N 3.4Å; V375-M377 PolarHBondContact O-N 2.91Å; V375-M377 VanDerWaalsContact O-N 3.16Å; M377-F379 PolarHBondContact O-N 3.05Å; M377-K419 HydrophobicContact CE-CB 4.28Å; M377-K419 HydrophobicContact SD-CB 4.48Å; M377-L420 HydrophobicContact CE-CD2 3.89Å; M377-P423 HydrophobicContact CE-CG 3.68Å; M377-P423 HydrophobicContact SD-CG 3.73Å
378	E	60.7	Low	81.5	Confident	101 Å²	101	63 Å²	63	47%	0.472	29%	0.287	S	S	.	.			trans	-54.5	123.2	179.8	-88.4	-179.1	-174.4	0	0	112	V375 K376	V375-E378 VanDerWaalsContact O-CB 3.28Å; V375-E378 WeakPolarHBondContact O-CB 3.36Å; V375-E378 VanDerWaalsContact O-CG 3.3Å; V375-E378 WeakPolarHBondContact O-CG 3.2Å; V375-E378 PolarHBondContact O-N 3.42Å; K376-E378 PolarHBondContact O-N 2.85Å
379	F	63.8	Low	81.5	Confident	45 Å²	45	60 Å²	60	20%	0.197	28%	0.275	C	S	.	.			trans	-62	156.4	-161.4	-44.2	-65.6	0	0	0	112.5	M377 E381 L384 Q416 K419 K625 I661	M377-F379 PolarHBondContact O-N 3.05Å; F379-E381 PolarHBondContact O-N 2.83Å; F379-E381 VanDerWaalsContact O-N 3.13Å; F379-L384 HydrophobicContact CB-CB 4.44Å; F379-L384 HydrophobicContact CB-CD2 4.45Å; F379-L384 HydrophobicContact CD2-CD2 4.2Å; F379-Q416 HydrophobicContact CE1-CB 3.98Å; F379-Q416 HydrophobicContact CE1-CG 3.96Å; F379-Q416 HydrophobicContact CE2-CG 4.25Å; F379-Q416 HydrophobicContact CZ-CB 3.72Å; F379-Q416 HydrophobicContact CZ-CG 3.82Å; F379-K419 HydrophobicContact CE1-CD 4.15Å; F379-K625 PolarHBondContact O-NZ 3.04Å; F379-I661 HydrophobicContact CE2-CG2 4.37Å; F379-I661 HydrophobicContact CZ-CG2 4.33Å
380	D	71.3	Confident	81.5	Confident	70 Å²	70	60.3 Å²	60.3	37%	0.374	28%	0.277	S	S	.	.			trans	-65.8	113.9	157.5	176.6	31.1	0	0	0	108.9	K382 E383 L384	D380-K382 PolarHBondContact O-N 3.09Å; D380-K382 PolarHBondContact OD1-N 2.91Å; D380-K382 VanDerWaalsContact OD1-N 3.09Å; D380-K382 WeakPolarHBondContact OD2-CB 3.46Å; D380-E383 HydrophobicContact CB-CB 3.8Å; D380-E383 PolarHBondContact O-N 3.21Å; D380-E383 WeakPolarHBondContact OD2-CB 3.46Å; D380-E383 PolarHBondContact OD2-N 2.87Å; D380-L384 WeakPolarHBondContact O-CB 3.46Å; D380-L384 PolarHBondContact O-N 3.14Å
381	E	78.3	Confident	81.3	Confident	84 Å²	84	61 Å²	61	39%	0.393	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-20.9	177.5	-101.1	-128.3	138.6	0	0	112.8	F379 R385 R654	F379-E381 PolarHBondContact O-N 2.83Å; F379-E381 VanDerWaalsContact O-N 3.13Å; E381-R385 WeakPolarHBondContact O-CG 3.44Å; E381-R385 PolarHBondContact O-N 3.44Å; E381-R385 PolarHBondContact O-NH1 3.3Å; E381-R385 IonicContact OE1-CZ 2.65Å; E381-R385 IonicContact OE1-NH1 3.6Å; E381-R385 PolarHBondContact OE1-NH1 2.9Å; E381-R385 IonicContact OE1-NH2 3.19Å; E381-R385 PolarHBondContact OE1-NH2 3.31Å; E381-R385 IonicContact OE2-CZ 3.55Å; E381-R385 IonicContact OE2-NH1 3.38Å; E381-R385 PolarHBondContact OE2-NH1 2.93Å; E381-R385 IonicContact OE2-NH2 3.04Å; E381-R385 PolarHBondContact OE2-NH2 3.44Å; E381-R385 VanDerWaalsContact OE2-NH2 3.08Å; E381-R654 IonicContact OE1-CZ 3.04Å; E381-R654 IonicContact OE1-NE 3.12Å; E381-R654 IonicContact OE1-NH1 2.74Å; E381-R654 PolarHBondContact OE1-NH1 3.12Å
382	K	80.8	Confident	81.1	Confident	171 Å²	171	59.7 Å²	59.7	74%	0.743	28%	0.275	S	S	*	.	H	α-helix	trans	-82.9	-47.5	174.5	-170.6	-175.5	-175.8	-177.1	0	110.5	D380 R385 K386	D380-K382 PolarHBondContact O-N 3.09Å; D380-K382 PolarHBondContact OD1-N 2.91Å; D380-K382 VanDerWaalsContact OD1-N 3.09Å; D380-K382 WeakPolarHBondContact OD2-CB 3.46Å; K382-R385 PolarHBondContact O-N 3.33Å; K382-K386 WeakPolarHBondContact O-CB 3.44Å; K382-K386 PolarHBondContact O-N 2.68Å
383	E	85.2	Confident	81.1	Confident	98 Å²	98	61.6 Å²	61.6	46%	0.458	28%	0.283	S	S	.	.	H	α-helix	trans	-56.6	-50.3	170.1	-172.4	179.4	-135.7	0	0	112	D380 R385 K386 E387	D380-E383 HydrophobicContact CB-CB 3.8Å; D380-E383 PolarHBondContact O-N 3.21Å; D380-E383 WeakPolarHBondContact OD2-CB 3.46Å; D380-E383 PolarHBondContact OD2-N 2.87Å; E383-R385 VanDerWaalsContact C-N 3.34Å; E383-R385 PolarHBondContact O-N 3.37Å; E383-K386 CarbonylContact O-C 3.34Å; E383-K386 WeakPolarHBondContact O-CA 3.22Å; E383-K386 VanDerWaalsContact O-CB 3.27Å; E383-K386 WeakPolarHBondContact O-CB 3.26Å; E383-K386 PolarHBondContact O-N 2.66Å; E383-E387 HydrophobicContact CG-CG 4.24Å; E383-E387 WeakPolarHBondContact O-CG 3.05Å; E383-E387 PolarHBondContact O-N 3.44Å
384	L	86.6	Confident	81.1	Confident	5 Å²	5	66.6 Å²	66.6	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-58.9	-42.5	-178.7	179.5	61.1	0	0	0	112	F379 D380 K386 E387 I388 I412 R654	F379-L384 HydrophobicContact CB-CB 4.44Å; F379-L384 HydrophobicContact CB-CD2 4.45Å; F379-L384 HydrophobicContact CD2-CD2 4.2Å; D380-L384 WeakPolarHBondContact O-CB 3.46Å; D380-L384 PolarHBondContact O-N 3.14Å; L384-K386 VanDerWaalsContact C-N 3.33Å; L384-K386 PolarHBondContact O-N 3.32Å; L384-E387 PolarHBondContact O-N 3Å; L384-I388 HydrophobicContact CD1-CD1 4.08Å; L384-I388 HydrophobicContact CD1-CG1 4.35Å; L384-I388 HydrophobicContact CG-CD1 3.93Å; L384-I388 WeakPolarHBondContact O-CB 3.34Å; L384-I388 WeakPolarHBondContact O-CD1 3.42Å; L384-I388 WeakPolarHBondContact O-CG1 3.37Å; L384-I388 PolarHBondContact O-N 3Å; L384-I412 HydrophobicContact CD1-CG2 3.71Å; L384-R654 HydrophobicContact CD2-CG 4.37Å
385	R	88	Confident	81	Confident	75 Å²	75	69.2 Å²	69.2	28%	0.283	32%	0.323	S	S	.	.	H	α-helix	trans	-67	-33.6	174.3	-72.2	-173.1	-173.4	88.9	-4.3	112.1	E381 K382 E383 S389 V650 E651	E381-R385 WeakPolarHBondContact O-CG 3.44Å; E381-R385 PolarHBondContact O-N 3.44Å; E381-R385 PolarHBondContact O-NH1 3.3Å; E381-R385 IonicContact OE1-CZ 2.65Å; E381-R385 IonicContact OE1-NH1 3.6Å; E381-R385 PolarHBondContact OE1-NH1 2.9Å; E381-R385 IonicContact OE1-NH2 3.19Å; E381-R385 PolarHBondContact OE1-NH2 3.31Å; E381-R385 IonicContact OE2-CZ 3.55Å; E381-R385 IonicContact OE2-NH1 3.38Å; E381-R385 PolarHBondContact OE2-NH1 2.93Å; E381-R385 IonicContact OE2-NH2 3.04Å; E381-R385 PolarHBondContact OE2-NH2 3.44Å; E381-R385 VanDerWaalsContact OE2-NH2 3.08Å; K382-R385 PolarHBondContact O-N 3.33Å; E383-R385 VanDerWaalsContact C-N 3.34Å; E383-R385 PolarHBondContact O-N 3.37Å; R385-S389 WeakPolarHBondContact O-CB 3.46Å; R385-S389 PolarHBondContact O-N 3.36Å; R385-V650 HydrophobicContact CB-CG1 3.83Å; R385-V650 HydrophobicContact CG-CG1 3.84Å; R385-E651 IonicContact CZ-OE2 2.81Å; R385-E651 IonicContact NE-OE2 3.06Å; R385-E651 PolarHBondContact NE-OE2 2.95Å; R385-E651 IonicContact NH2-OE2 2.79Å; R385-E651 PolarHBondContact NH2-OE2 3.04Å
386	K	89.3	Confident	81	Confident	122 Å²	122	69 Å²	69	53%	0.53	32%	0.32	S	S	.	.	H	α-helix	trans	-66.5	-44.5	172.1	-167.2	-173.4	-174.4	-170.9	0	111.8	K382 E383 L384 S389 Y390	K382-K386 WeakPolarHBondContact O-CB 3.44Å; K382-K386 PolarHBondContact O-N 2.68Å; E383-K386 CarbonylContact O-C 3.34Å; E383-K386 WeakPolarHBondContact O-CA 3.22Å; E383-K386 VanDerWaalsContact O-CB 3.27Å; E383-K386 WeakPolarHBondContact O-CB 3.26Å; E383-K386 PolarHBondContact O-N 2.66Å; L384-K386 VanDerWaalsContact C-N 3.33Å; L384-K386 PolarHBondContact O-N 3.32Å; K386-S389 PolarHBondContact O-N 3.31Å; K386-Y390 HydrophobicContact CD-CE2 4.06Å; K386-Y390 VanDerWaalsContact CE-OH 3.22Å; K386-Y390 WeakPolarHBondContact CE-OH 3.48Å; K386-Y390 HydrophobicContact CG-CD2 4.16Å; K386-Y390 HydrophobicContact CG-CE2 3.72Å; K386-Y390 WeakPolarHBondContact O-CD2 3.39Å; K386-Y390 PolarHBondContact O-N 2.85Å
387	E	89.6	Confident	81.1	Confident	22 Å²	22	64.8 Å²	64.8	10%	0.103	32%	0.317	C	S	.	.	H	α-helix	trans	-59.5	-49.2	174.7	-69.5	-171.8	161.3	0	0	111.3	E383 L384 S389 Y390 A391 I412 K415 Q416	E383-E387 HydrophobicContact CG-CG 4.24Å; E383-E387 WeakPolarHBondContact O-CG 3.05Å; E383-E387 PolarHBondContact O-N 3.44Å; L384-E387 PolarHBondContact O-N 3Å; E387-S389 VanDerWaalsContact C-N 3.35Å; E387-S389 PolarHBondContact O-N 3.2Å; E387-Y390 PolarHBondContact O-N 3.22Å; E387-A391 WeakPolarHBondContact O-CB 3.22Å; E387-A391 PolarHBondContact O-N 3.02Å; E387-I412 HydrophobicContact CB-CD1 3.68Å; E387-K415 WeakPolarHBondContact OE1-CE 3.36Å; E387-K415 IonicContact OE1-NZ 2.64Å; E387-K415 PolarHBondContact OE1-NZ 2.96Å; E387-K415 IonicContact OE2-NZ 3.95Å; E387-Q416 PolarHBondContact OE2-NE2 3.45Å
388	I	89.9	Confident	81	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-44.5	176.7	-66.2	161.6	0	0	0	110.2	L384 Y390 A391 I392 I412 V650 I653 R654	L384-I388 HydrophobicContact CD1-CD1 4.08Å; L384-I388 HydrophobicContact CD1-CG1 4.35Å; L384-I388 HydrophobicContact CG-CD1 3.93Å; L384-I388 WeakPolarHBondContact O-CB 3.34Å; L384-I388 WeakPolarHBondContact O-CD1 3.42Å; L384-I388 WeakPolarHBondContact O-CG1 3.37Å; L384-I388 PolarHBondContact O-N 3Å; I388-Y390 PolarHBondContact O-N 3.4Å; I388-A391 PolarHBondContact O-N 3.19Å; I388-I392 HydrophobicContact CG2-CD1 3.72Å; I388-I392 HydrophobicContact CG2-CG1 4.27Å; I388-I392 WeakPolarHBondContact O-CB 3.15Å; I388-I392 WeakPolarHBondContact O-CD1 3.37Å; I388-I392 WeakPolarHBondContact O-CG1 3.24Å; I388-I392 PolarHBondContact O-N 3.27Å; I388-I412 HydrophobicContact CG1-CD1 4.11Å; I388-I412 HydrophobicContact CG1-CG1 3.91Å; I388-I412 HydrophobicContact CG1-CG2 4.1Å; I388-V650 HydrophobicContact CB-CG1 4.29Å; I388-V650 HydrophobicContact CG2-CB 4.18Å; I388-V650 HydrophobicContact CG2-CG1 4.1Å; I388-V650 HydrophobicContact CG2-CG2 4.09Å; I388-I653 HydrophobicContact CD1-CG2 4.17Å; I388-I653 HydrophobicContact CG1-CG2 4.07Å; I388-I653 HydrophobicContact CG2-CB 3.87Å; I388-I653 HydrophobicContact CG2-CD1 4.14Å; I388-I653 HydrophobicContact CG2-CG2 3.77Å; I388-R654 HydrophobicContact CD1-CB 4.07Å; I388-R654 HydrophobicContact CD1-CG 4.45Å
389	S	87.7	Confident	81	Confident	14 Å²	14	74.3 Å²	74.3	10%	0.098	36%	0.362	C	S	.	.	H	α-helix	trans	-60	-43.5	177.3	-167.6	0	0	0	0	112.5	R385 K386 E387 K393	R385-S389 WeakPolarHBondContact O-CB 3.46Å; R385-S389 PolarHBondContact O-N 3.36Å; K386-S389 PolarHBondContact O-N 3.31Å; E387-S389 VanDerWaalsContact C-N 3.35Å; E387-S389 PolarHBondContact O-N 3.2Å; S389-K393 WeakPolarHBondContact O-CB 3.17Å; S389-K393 VanDerWaalsContact O-CG 3.28Å; S389-K393 WeakPolarHBondContact O-CG 3.4Å; S389-K393 PolarHBondContact O-N 3.37Å
390	Y	88.9	Confident	80.8	Confident	106 Å²	106	79 Å²	79	42%	0.416	39%	0.394	S	S	.	.	H	α-helix	trans	-68.3	-40.9	174.2	-70.3	-41	0	0	0	112.6	K386 E387 I388 I392 K393 N394	K386-Y390 HydrophobicContact CD-CE2 4.06Å; K386-Y390 VanDerWaalsContact CE-OH 3.22Å; K386-Y390 WeakPolarHBondContact CE-OH 3.48Å; K386-Y390 HydrophobicContact CG-CD2 4.16Å; K386-Y390 HydrophobicContact CG-CE2 3.72Å; K386-Y390 WeakPolarHBondContact O-CD2 3.39Å; K386-Y390 PolarHBondContact O-N 2.85Å; E387-Y390 PolarHBondContact O-N 3.22Å; I388-Y390 PolarHBondContact O-N 3.4Å; Y390-I392 PolarHBondContact O-N 3.19Å; Y390-K393 PolarHBondContact O-N 2.9Å; Y390-N394 VanDerWaalsContact O-CB 3.27Å; Y390-N394 WeakPolarHBondContact O-CB 3.44Å; Y390-N394 PolarHBondContact O-N 3.09Å; Y390-N394 PolarHBondContact O-ND2 3.07Å; Y390-N394 PolarHBondContact O-OD1 2.85Å
391	A	88.7	Confident	80.2	Confident	17 Å²	17	77 Å²	77	14%	0.14	39%	0.391	C	S	.	.	H	α-helix	trans	-59.2	-48.8	176.7	0	0	0	0	0	110.9	E387 I388 K393 N394 I395 A408 I412	E387-A391 WeakPolarHBondContact O-CB 3.22Å; E387-A391 PolarHBondContact O-N 3.02Å; I388-A391 PolarHBondContact O-N 3.19Å; A391-K393 PolarHBondContact O-N 2.93Å; A391-N394 PolarHBondContact O-N 2.83Å; A391-I395 WeakPolarHBondContact O-CB 3.33Å; A391-I395 VanDerWaalsContact O-CD1 3.31Å; A391-I395 WeakPolarHBondContact O-CD1 3.42Å; A391-I395 VanDerWaalsContact O-CG1 3.24Å; A391-I395 WeakPolarHBondContact O-CG1 3.23Å; A391-I395 PolarHBondContact O-N 3.39Å; A391-A408 HydrophobicContact CB-CB 4.41Å; A391-I412 HydrophobicContact CB-CD1 4.17Å; A391-I412 HydrophobicContact CB-CG1 4.22Å
392	I	84.6	Confident	79.3	Confident	2 Å²	2	80.2 Å²	80.2	1%	0.01	41%	0.41	C	S	.	.	H	α-helix	trans	-54.5	-55.4	173.8	-66.6	165.5	0	0	0	110.3	I388 Y390 N394 I395 H396 A408 L646 Q649 V650 I653	I388-I392 HydrophobicContact CG2-CD1 3.72Å; I388-I392 HydrophobicContact CG2-CG1 4.27Å; I388-I392 WeakPolarHBondContact O-CB 3.15Å; I388-I392 WeakPolarHBondContact O-CD1 3.37Å; I388-I392 WeakPolarHBondContact O-CG1 3.24Å; I388-I392 PolarHBondContact O-N 3.27Å; Y390-I392 PolarHBondContact O-N 3.19Å; I392-N394 PolarHBondContact O-N 2.83Å; I392-I395 PolarHBondContact O-N 3.14Å; I392-H396 WeakPolarHBondContact CG2-CE1 3.48Å; I392-H396 PolarHBondContact O-N 2.78Å; I392-H396 PolarHBondContact O-ND1 2.6Å; I392-A408 HydrophobicContact CG1-CB 4.02Å; I392-L646 HydrophobicContact CB-CD1 4.2Å; I392-L646 HydrophobicContact CD1-CD1 4Å; I392-L646 HydrophobicContact CG2-CD1 3.72Å; I392-Q649 HydrophobicContact CD1-CB 4.03Å; I392-V650 HydrophobicContact CD1-CG2 3.69Å; I392-I653 HydrophobicContact CD1-CD1 3.78Å; I392-I653 HydrophobicContact CG1-CD1 3.8Å
393	K	83.4	Confident	78.4	Confident	88 Å²	88	81.2 Å²	81.2	38%	0.383	42%	0.415	S	S	.	.	H	α-helix	trans	-59.5	-42.6	-178.1	-73.3	174.1	-174.6	-179.7	0	112.7	S389 Y390 A391 I395 H396 G397	S389-K393 WeakPolarHBondContact O-CB 3.17Å; S389-K393 VanDerWaalsContact O-CG 3.28Å; S389-K393 WeakPolarHBondContact O-CG 3.4Å; S389-K393 PolarHBondContact O-N 3.37Å; Y390-K393 PolarHBondContact O-N 2.9Å; A391-K393 PolarHBondContact O-N 2.93Å; K393-I395 PolarHBondContact O-N 3.35Å; K393-H396 PolarHBondContact O-N 2.88Å; K393-G397 PolarHBondContact O-N 3.4Å
394	N	83.9	Confident	77.1	Confident	127 Å²	127	77.1 Å²	77.1	68%	0.679	40%	0.396	S	S	*	.	H	α-helix	trans	-68.9	-33	-178.6	-68.7	-11.9	0	0	0	112.5	Y390 A391 I392	Y390-N394 VanDerWaalsContact O-CB 3.27Å; Y390-N394 WeakPolarHBondContact O-CB 3.44Å; Y390-N394 PolarHBondContact O-N 3.09Å; Y390-N394 PolarHBondContact O-ND2 3.07Å; Y390-N394 PolarHBondContact O-OD1 2.85Å; A391-N394 PolarHBondContact O-N 2.83Å; I392-N394 PolarHBondContact O-N 2.83Å
395	I	82.8	Confident	76.1	Confident	63 Å²	63	78.7 Å²	78.7	32%	0.323	41%	0.407	S	S	.	.	H	α-helix	trans	-75.2	-34.7	176.1	-66.1	160.7	0	0	0	111.4	A391 I392 K393 T404 M407 A408	A391-I395 WeakPolarHBondContact O-CB 3.33Å; A391-I395 VanDerWaalsContact O-CD1 3.31Å; A391-I395 WeakPolarHBondContact O-CD1 3.42Å; A391-I395 VanDerWaalsContact O-CG1 3.24Å; A391-I395 WeakPolarHBondContact O-CG1 3.23Å; A391-I395 PolarHBondContact O-N 3.39Å; I392-I395 PolarHBondContact O-N 3.14Å; K393-I395 PolarHBondContact O-N 3.35Å; I395-T404 HydrophobicContact CB-CG2 4.03Å; I395-T404 HydrophobicContact CG2-CG2 3.62Å; I395-M407 HydrophobicContact CD1-CB 3.76Å; I395-M407 HydrophobicContact CG1-CB 4.48Å; I395-M407 HydrophobicContact CG2-CB 4.3Å; I395-M407 HydrophobicContact CG2-SD 4.26Å; I395-A408 HydrophobicContact CD1-CB 3.84Å
396	H	76.7	Confident	75.4	Confident	42 Å²	42	79.9 Å²	79.9	19%	0.194	42%	0.419	C	S	.	.	H	α-helix	trans	-64.9	-42.4	169.6	-75.3	83.2	0	0	0	111.7	I392 K393 V398 R399 G401 T404	I392-H396 WeakPolarHBondContact CG2-CE1 3.48Å; I392-H396 PolarHBondContact O-N 2.78Å; I392-H396 PolarHBondContact O-ND1 2.6Å; K393-H396 PolarHBondContact O-N 2.88Å; H396-V398 PolarHBondContact O-N 3.09Å; H396-R399 PolarHBondContact O-N 2.95Å; H396-R399 VanDerWaalsContact O-N 3.09Å; H396-R399 VanDerWaalsContact O-O 3.13Å; H396-G401 PolarHBondContact CD2-N 3.36Å; H396-G401 PolarHBondContact NE2-O 2.65Å; H396-T404 WeakPolarHBondContact CE1-CB 3.39Å; H396-T404 WeakPolarHBondContact CE1-CG2 3.34Å; H396-T404 PolarHBondContact CE1-OG1 3.32Å; H396-T404 WeakPolarHBondContact ND1-CG2 3.24Å; H396-T404 PolarHBondContact NE2-OG1 2.82Å
397	G	74.4	Confident	75.1	Confident	55 Å²	55	80 Å²	80	57%	0.567	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	-127.2	-178.9	0	0	0	0	0	111.7	K393 R399	K393-G397 PolarHBondContact O-N 3.4Å; G397-R399 VanDerWaalsContact C-N 3.27Å; G397-R399 PolarHBondContact O-N 3.11Å
398	V	65.9	Low	75	Confident	152 Å²	152	79 Å²	79	92%	0.921	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	12.7	179.2	-57.5	0	0	0	0	114.3	H396	H396-V398 PolarHBondContact O-N 3.09Å
399	R	62	Low	74.9	Confident	202 Å²	202	79.2 Å²	79.2	76%	0.762	42%	0.419	S	S	*	.	S	Bend	trans	-127.7	138	-177.7	-66.5	-177.7	178.2	173.4	0.1	112.1	H396 G397 G401	H396-R399 PolarHBondContact O-N 2.95Å; H396-R399 VanDerWaalsContact O-N 3.09Å; H396-R399 VanDerWaalsContact O-O 3.13Å; G397-R399 VanDerWaalsContact C-N 3.27Å; G397-R399 PolarHBondContact O-N 3.11Å; R399-G401 VanDerWaalsContact C-N 3.26Å; R399-G401 PolarHBondContact O-N 3.17Å
400	T	59.6	Low	75.1	Confident	143 Å²	143	82.5 Å²	82.5	88%	0.877	43%	0.433	S	S	*	.			trans	-73.8	79.2	168.1	52.6	0	0	0	0	110.2
401	G	58.2	Low	75.1	Confident	29 Å²	29	79.9 Å²	79.9	30%	0.299	43%	0.433	S	S	.	.			trans	-58.7	139.4	174.4	0	0	0	0	0	113.4	H396 R399	H396-G401 PolarHBondContact CD2-N 3.36Å; H396-G401 PolarHBondContact NE2-O 2.65Å; R399-G401 VanDerWaalsContact C-N 3.26Å; R399-G401 PolarHBondContact O-N 3.17Å
402	L	59.2	Low	75.3	Confident	151 Å²	151	79.4 Å²	79.4	79%	0.791	43%	0.428	S	S	*	.	S	Bend	trans	-92.5	-19.7	174.3	-78.6	141.1	0	0	0	112.8
403	F	61.4	Low	75.7	Confident	193 Å²	193	79.3 Å²	79.3	85%	0.846	43%	0.428	S	S	*	.			trans	-140.3	108.6	-174.4	-57.4	-77.9	0	0	0	109.8
404	T	58.6	Low	76.2	Confident	11 Å²	11	77.8 Å²	77.8	7%	0.067	42%	0.421	C	S	.	.			trans	-143.4	-1.4	-171	-31.4	0	0	0	0	116.6	I395 H396 D406	I395-T404 HydrophobicContact CB-CG2 4.03Å; I395-T404 HydrophobicContact CG2-CG2 3.62Å; H396-T404 WeakPolarHBondContact CE1-CB 3.39Å; H396-T404 WeakPolarHBondContact CE1-CG2 3.34Å; H396-T404 PolarHBondContact CE1-OG1 3.32Å; H396-T404 WeakPolarHBondContact ND1-CG2 3.24Å; H396-T404 PolarHBondContact NE2-OG1 2.82Å; T404-D406 PolarHBondContact O-N 3.09Å
405	P	64.5	Low	76.6	Confident	38 Å²	38	76.6 Å²	76.6	25%	0.247	41%	0.41	C	S	.	.	H	α-helix	trans	-58	-44.1	-179.3	-26.5	34.4	0	0	0	115.4	A408 F409 F496	P405-A408 PolarHBondContact O-N 3.11Å; P405-F409 WeakPolarHBondContact O-CB 3.42Å; P405-F409 PolarHBondContact O-N 3.45Å; P405-F496 HydrophobicContact CB-CD1 4.14Å; P405-F496 HydrophobicContact CB-CE1 3.88Å
406	D	74.8	Confident	76.9	Confident	100 Å²	100	73.8 Å²	73.8	54%	0.535	40%	0.395	S	S	.	.	H	α-helix	trans	-71.7	-49.2	-156.5	-52.1	-15.6	0	0	0	112.9	T404 A408 F409 E410 F496	T404-D406 PolarHBondContact O-N 3.09Å; D406-A408 VanDerWaalsContact C-N 3.3Å; D406-A408 PolarHBondContact O-N 3.41Å; D406-F409 PolarHBondContact O-N 3.12Å; D406-E410 WeakPolarHBondContact O-CB 3.29Å; D406-E410 PolarHBondContact O-N 3.23Å; D406-F496 VanDerWaalsContact OD1-CE1 3.29Å; D406-F496 WeakPolarHBondContact OD1-CE1 3.45Å; D406-F496 WeakPolarHBondContact OD1-CZ 3.25Å
407	M	82.1	Confident	77.7	Confident	125 Å²	125	71.8 Å²	71.8	62%	0.616	39%	0.386	S	S	*	.	H	α-helix	trans	-66	-32.1	177.3	-68.9	-179.5	70.8	0	0	112.5	I395 A411	I395-M407 HydrophobicContact CD1-CB 3.76Å; I395-M407 HydrophobicContact CG1-CB 4.48Å; I395-M407 HydrophobicContact CG2-CB 4.3Å; I395-M407 HydrophobicContact CG2-SD 4.26Å; M407-A411 WeakPolarHBondContact O-CB 3.34Å; M407-A411 PolarHBondContact O-N 2.91Å
408	A	87	Confident	78.6	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-72.5	-42	177.4	0	0	0	0	0	111	A391 I392 I395 P405 D406 I412 I653	A391-A408 HydrophobicContact CB-CB 4.41Å; I392-A408 HydrophobicContact CG1-CB 4.02Å; I395-A408 HydrophobicContact CD1-CB 3.84Å; P405-A408 PolarHBondContact O-N 3.11Å; D406-A408 VanDerWaalsContact C-N 3.3Å; D406-A408 PolarHBondContact O-N 3.41Å; A408-I412 WeakPolarHBondContact O-CB 3.31Å; A408-I412 WeakPolarHBondContact O-CG1 3.31Å; A408-I412 PolarHBondContact O-N 3.46Å; A408-I653 HydrophobicContact CB-CD1 3.77Å
409	F	89.4	Confident	79.8	Confident	5 Å²	5	69.8 Å²	69.8	2%	0.022	35%	0.353	C	S	.	.	H	α-helix	trans	-59.7	-49.8	170.8	164.9	-111	0	0	0	111.5	P405 D406 A411 I412 V413 I486 T488 F493 F496 I653 L656 V657 Y660	P405-F409 WeakPolarHBondContact O-CB 3.42Å; P405-F409 PolarHBondContact O-N 3.45Å; D406-F409 PolarHBondContact O-N 3.12Å; F409-A411 PolarHBondContact O-N 3.26Å; F409-I412 PolarHBondContact O-N 3.37Å; F409-V413 HydrophobicContact CD2-CG2 3.74Å; F409-V413 HydrophobicContact CE2-CG2 3.39Å; F409-V413 HydrophobicContact CG-CG2 4.48Å; F409-V413 HydrophobicContact CZ-CG2 3.9Å; F409-V413 WeakPolarHBondContact O-CB 3.46Å; F409-V413 WeakPolarHBondContact O-CG2 3.06Å; F409-V413 PolarHBondContact O-N 2.89Å; F409-I486 HydrophobicContact CE1-CG2 3.73Å; F409-I486 HydrophobicContact CZ-CG2 4.02Å; F409-T488 HydrophobicContact CE1-CG2 3.95Å; F409-F493 HydrophobicContact CE1-CZ 4.24Å; F409-F493 HydrophobicContact CE2-CE2 4.23Å; F409-F493 HydrophobicContact CE2-CZ 4.25Å; F409-F493 AromaticContact CZ-CE2 3.85Å; F409-F493 HydrophobicContact CZ-CE2 3.85Å; F409-F493 AromaticContact CZ-CZ 3.68Å; F409-F493 HydrophobicContact CZ-CZ 3.68Å; F409-F496 HydrophobicContact CD1-CZ 4.2Å; F409-I653 HydrophobicContact CB-CG2 4.33Å; F409-L656 HydrophobicContact CD2-CB 3.7Å; F409-L656 HydrophobicContact CE2-CB 3.75Å; F409-L656 WeakPolarHBondContact CE2-O 3.48Å; F409-V657 HydrophobicContact CD2-CG2 4.02Å; F409-Y660 HydrophobicContact CZ-CD2 4.32Å; F409-Y660 HydrophobicContact CZ-CG 4.2Å
410	E	90.3	Very high	81.2	Confident	84 Å²	84	60.5 Å²	60.5	39%	0.393	32%	0.318	S	S	.	.	H	α-helix	trans	-58.1	-49.5	178.6	170.4	172.5	-172.2	0	0	112.5	D406 I412 V413 K414 I486	D406-E410 WeakPolarHBondContact O-CB 3.29Å; D406-E410 PolarHBondContact O-N 3.23Å; E410-I412 VanDerWaalsContact C-N 3.33Å; E410-I412 PolarHBondContact O-N 2.87Å; E410-V413 PolarHBondContact O-N 3.22Å; E410-K414 HydrophobicContact CG-CD 3.92Å; E410-K414 WeakPolarHBondContact O-CB 3.28Å; E410-K414 WeakPolarHBondContact O-CG 3.37Å; E410-K414 PolarHBondContact O-N 3.29Å; E410-K414 VanDerWaalsContact OE1-CE 3.27Å; E410-K414 WeakPolarHBondContact OE1-CE 3.31Å; E410-K414 IonicContact OE1-NZ 2.69Å; E410-K414 PolarHBondContact OE1-NZ 2.9Å; E410-I486 HydrophobicContact CB-CD1 3.97Å; E410-I486 HydrophobicContact CG-CD1 3.82Å
411	A	90.6	Very high	82.9	Confident	51 Å²	51	56 Å²	56	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-61.3	-41.6	-178.7	0	0	0	0	0	112.1	M407 F409 K415	M407-A411 WeakPolarHBondContact O-CB 3.34Å; M407-A411 PolarHBondContact O-N 2.91Å; F409-A411 PolarHBondContact O-N 3.26Å; A411-K415 WeakPolarHBondContact O-CB 3.31Å; A411-K415 PolarHBondContact O-N 3.04Å
412	I	92.2	Very high	84.5	Confident	7 Å²	7	61.6 Å²	61.6	4%	0.036	31%	0.305	C	S	.	.	H	α-helix	trans	-72.7	-43	179.9	-63	-72.1	0	0	0	111	L384 E387 I388 A391 A408 F409 E410 K414 K415 Q416 V657	L384-I412 HydrophobicContact CD1-CG2 3.71Å; E387-I412 HydrophobicContact CB-CD1 3.68Å; I388-I412 HydrophobicContact CG1-CD1 4.11Å; I388-I412 HydrophobicContact CG1-CG1 3.91Å; I388-I412 HydrophobicContact CG1-CG2 4.1Å; A391-I412 HydrophobicContact CB-CD1 4.17Å; A391-I412 HydrophobicContact CB-CG1 4.22Å; A408-I412 WeakPolarHBondContact O-CB 3.31Å; A408-I412 WeakPolarHBondContact O-CG1 3.31Å; A408-I412 PolarHBondContact O-N 3.46Å; F409-I412 PolarHBondContact O-N 3.37Å; E410-I412 VanDerWaalsContact C-N 3.33Å; E410-I412 PolarHBondContact O-N 2.87Å; I412-K414 PolarHBondContact O-N 3.02Å; I412-K415 PolarHBondContact O-N 3.44Å; I412-Q416 WeakPolarHBondContact O-CG 3.39Å; I412-Q416 PolarHBondContact O-N 2.77Å; I412-V657 HydrophobicContact CB-CG2 4.15Å; I412-V657 HydrophobicContact CG2-CG1 4.05Å; I412-V657 HydrophobicContact CG2-CG2 3.68Å
413	V	92.9	Very high	86.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58	-49.8	174.4	165.4	0	0	0	0	110.7	F409 E410 K415 Q416 I417 I486 V657 Y660 I661	F409-V413 HydrophobicContact CD2-CG2 3.74Å; F409-V413 HydrophobicContact CE2-CG2 3.39Å; F409-V413 HydrophobicContact CG-CG2 4.48Å; F409-V413 HydrophobicContact CZ-CG2 3.9Å; F409-V413 WeakPolarHBondContact O-CB 3.46Å; F409-V413 WeakPolarHBondContact O-CG2 3.06Å; F409-V413 PolarHBondContact O-N 2.89Å; E410-V413 PolarHBondContact O-N 3.22Å; V413-K415 VanDerWaalsContact C-N 3.3Å; V413-K415 PolarHBondContact O-N 3.48Å; V413-Q416 PolarHBondContact O-N 3.28Å; V413-Q416 VanDerWaalsContact O-N 3.11Å; V413-I417 HydrophobicContact CG1-CD1 3.57Å; V413-I417 HydrophobicContact CG1-CG1 4.21Å; V413-I417 WeakPolarHBondContact O-CG1 3.4Å; V413-I417 PolarHBondContact O-N 2.99Å; V413-I486 HydrophobicContact CB-CD1 3.92Å; V413-I486 HydrophobicContact CG1-CD1 3.68Å; V413-I486 HydrophobicContact CG1-CG1 4.17Å; V413-V657 HydrophobicContact CG2-CG2 4.15Å; V413-Y660 HydrophobicContact CG1-CD1 3.54Å; V413-Y660 HydrophobicContact CG1-CE1 3.99Å; V413-Y660 HydrophobicContact CG1-CG 4.4Å; V413-Y660 HydrophobicContact CG2-CD1 4.42Å; V413-I661 HydrophobicContact CG1-CD1 4.26Å
414	K	94.2	Very high	87.8	Confident	56 Å²	56	45.4 Å²	45.4	24%	0.243	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-40.7	177.5	-72.7	178.9	176.6	-173.2	0	111.8	E410 I412 Q416 I417 I418 L483 I486	E410-K414 HydrophobicContact CG-CD 3.92Å; E410-K414 WeakPolarHBondContact O-CB 3.28Å; E410-K414 WeakPolarHBondContact O-CG 3.37Å; E410-K414 PolarHBondContact O-N 3.29Å; E410-K414 VanDerWaalsContact OE1-CE 3.27Å; E410-K414 WeakPolarHBondContact OE1-CE 3.31Å; E410-K414 IonicContact OE1-NZ 2.69Å; E410-K414 PolarHBondContact OE1-NZ 2.9Å; I412-K414 PolarHBondContact O-N 3.02Å; K414-Q416 VanDerWaalsContact C-N 3.35Å; K414-Q416 PolarHBondContact O-N 3.49Å; K414-I417 PolarHBondContact O-N 2.71Å; K414-I418 WeakPolarHBondContact O-CG1 3.38Å; K414-I418 PolarHBondContact O-N 2.89Å; K414-I418 VanDerWaalsContact O-N 3.12Å; K414-L483 HydrophobicContact CB-CD2 3.93Å; K414-L483 WeakPolarHBondContact CE-O 3.43Å; K414-L483 HydrophobicContact CG-CD2 4.05Å; K414-L483 PolarHBondContact NZ-O 3.39Å; K414-L483 WeakPolarHBondContact O-CD2 3.39Å; K414-I486 HydrophobicContact CG-CD1 4.3Å
415	K	91.5	Very high	89.6	Confident	101 Å²	101	47.2 Å²	47.2	44%	0.439	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-39.7	175.5	-166.4	-179.9	-174.7	-171.8	0	112.8	E387 A411 I412 V413	E387-K415 WeakPolarHBondContact OE1-CE 3.36Å; E387-K415 IonicContact OE1-NZ 2.64Å; E387-K415 PolarHBondContact OE1-NZ 2.96Å; E387-K415 IonicContact OE2-NZ 3.95Å; A411-K415 WeakPolarHBondContact O-CB 3.31Å; A411-K415 PolarHBondContact O-N 3.04Å; I412-K415 PolarHBondContact O-N 3.44Å; V413-K415 VanDerWaalsContact C-N 3.3Å; V413-K415 PolarHBondContact O-N 3.48Å
416	Q	89.9	Confident	91	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.019	24%	0.242	C	C	.	.	H	α-helix	trans	-77.5	-35.6	178.2	-50	-37.2	-30.3	0	0	112.7	F379 E387 I412 V413 K414 I418 K419 V657 I661	F379-Q416 HydrophobicContact CE1-CB 3.98Å; F379-Q416 HydrophobicContact CE1-CG 3.96Å; F379-Q416 HydrophobicContact CE2-CG 4.25Å; F379-Q416 HydrophobicContact CZ-CB 3.72Å; F379-Q416 HydrophobicContact CZ-CG 3.82Å; E387-Q416 PolarHBondContact OE2-NE2 3.45Å; I412-Q416 WeakPolarHBondContact O-CG 3.39Å; I412-Q416 PolarHBondContact O-N 2.77Å; V413-Q416 PolarHBondContact O-N 3.28Å; V413-Q416 VanDerWaalsContact O-N 3.11Å; K414-Q416 VanDerWaalsContact C-N 3.35Å; K414-Q416 PolarHBondContact O-N 3.49Å; Q416-I418 VanDerWaalsContact C-N 3.31Å; Q416-I418 PolarHBondContact O-N 2.85Å; Q416-K419 WeakPolarHBondContact O-CB 3.37Å; Q416-K419 PolarHBondContact O-N 3.49Å; Q416-K419 VanDerWaalsContact O-N 3.14Å; Q416-K419 VanDerWaalsContact OE1-CE 3.26Å; Q416-V657 HydrophobicContact CG-CG1 4.48Å; Q416-I661 HydrophobicContact CB-CD1 3.87Å; Q416-I661 HydrophobicContact CB-CG1 4.21Å
417	I	93.3	Very high	92.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.3	-37.5	175.9	-66.3	172.9	0	0	0	111.2	V413 K414 K419 L420 I479 E482 L483 Y660 I661 V664	V413-I417 HydrophobicContact CG1-CD1 3.57Å; V413-I417 HydrophobicContact CG1-CG1 4.21Å; V413-I417 WeakPolarHBondContact O-CG1 3.4Å; V413-I417 PolarHBondContact O-N 2.99Å; K414-I417 PolarHBondContact O-N 2.71Å; I417-K419 PolarHBondContact O-N 2.84Å; I417-L420 HydrophobicContact CB-CD1 4.47Å; I417-L420 HydrophobicContact CG2-CD1 4.26Å; I417-L420 VanDerWaalsContact O-CB 3.25Å; I417-L420 WeakPolarHBondContact O-CB 3.44Å; I417-L420 WeakPolarHBondContact O-CG 3.43Å; I417-L420 PolarHBondContact O-N 2.78Å; I417-I479 HydrophobicContact CG2-CG2 3.98Å; I417-E482 HydrophobicContact CG2-CB 4.11Å; I417-L483 HydrophobicContact CB-CD2 3.64Å; I417-L483 HydrophobicContact CB-CG 4.3Å; I417-L483 HydrophobicContact CG2-CD2 3.58Å; I417-L483 HydrophobicContact CG2-CG 3.66Å; I417-Y660 HydrophobicContact CD1-CE1 4.26Å; I417-I661 HydrophobicContact CD1-CD1 4.49Å; I417-I661 HydrophobicContact CG1-CD1 3.71Å; I417-V664 HydrophobicContact CD1-CG2 4.01Å; I417-V664 HydrophobicContact CG1-CG1 4.3Å; I417-V664 HydrophobicContact CG1-CG2 4.36Å
418	I	93.6	Very high	92.8	Very high	96 Å²	96	38.8 Å²	38.8	49%	0.492	19%	0.189	S	C	.	.	H	α-helix	trans	-55.9	-36.2	175.1	-72.2	164.4	0	0	0	112.1	K414 Q416 L420 K421 L483	K414-I418 WeakPolarHBondContact O-CG1 3.38Å; K414-I418 PolarHBondContact O-N 2.89Å; K414-I418 VanDerWaalsContact O-N 3.12Å; Q416-I418 VanDerWaalsContact C-N 3.31Å; Q416-I418 PolarHBondContact O-N 2.85Å; I418-L420 PolarHBondContact O-N 3.42Å; I418-K421 WeakPolarHBondContact O-CG 3.06Å; I418-K421 PolarHBondContact O-N 3.47Å; I418-L483 HydrophobicContact CG1-CD1 3.71Å; I418-L483 HydrophobicContact CG1-CD2 3.96Å
419	K	90.7	Very high	93.3	Very high	70 Å²	70	41.8 Å²	41.8	30%	0.304	21%	0.205	S	C	.	.	H	α-helix	trans	-64.4	-22.2	179.2	-63	175.6	178	171.7	0	112.8	M377 F379 Q416 I417 K421 P423	M377-K419 HydrophobicContact CE-CB 4.28Å; M377-K419 HydrophobicContact SD-CB 4.48Å; F379-K419 HydrophobicContact CE1-CD 4.15Å; Q416-K419 WeakPolarHBondContact O-CB 3.37Å; Q416-K419 PolarHBondContact O-N 3.49Å; Q416-K419 VanDerWaalsContact O-N 3.14Å; Q416-K419 VanDerWaalsContact OE1-CE 3.26Å; I417-K419 PolarHBondContact O-N 2.84Å; K419-K421 PolarHBondContact O-N 2.85Å; K419-P423 WeakPolarHBondContact O-CD 3.2Å
420	L	91.8	Very high	93.6	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.031	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.5	178.3	-56.8	173	0	0	0	113.3	L374 M377 I417 I418 E422 P423 C424 I479 V664 N665 I668	L374-L420 HydrophobicContact CD2-CD2 3.8Å; M377-L420 HydrophobicContact CE-CD2 3.89Å; I417-L420 HydrophobicContact CB-CD1 4.47Å; I417-L420 HydrophobicContact CG2-CD1 4.26Å; I417-L420 VanDerWaalsContact O-CB 3.25Å; I417-L420 WeakPolarHBondContact O-CB 3.44Å; I417-L420 WeakPolarHBondContact O-CG 3.43Å; I417-L420 PolarHBondContact O-N 2.78Å; I418-L420 PolarHBondContact O-N 3.42Å; L420-E422 PolarHBondContact O-N 3.06Å; L420-P423 WeakPolarHBondContact O-CD 3.48Å; L420-P423 WeakPolarHBondContact O-CG 3.26Å; L420-C424 WeakPolarHBondContact O-CB 3.36Å; L420-C424 PolarHBondContact O-N 3.09Å; L420-C424 PolarHBondContact O-SG 3.06Å; L420-I479 HydrophobicContact CB-CD1 4.43Å; L420-V664 HydrophobicContact CD1-CG1 3.61Å; L420-N665 WeakPolarHBondContact CD2-OD1 3.37Å; L420-I668 HydrophobicContact CD1-CG1 4.38Å
421	K	94.1	Very high	93.9	Very high	49 Å²	49	40.2 Å²	40.2	21%	0.213	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-44.1	-178.6	-67.1	-171.2	171.5	-158.6	0	112.5	I418 K419 C424 L425 L476 I479 D480	I418-K421 WeakPolarHBondContact O-CG 3.06Å; I418-K421 PolarHBondContact O-N 3.47Å; K419-K421 PolarHBondContact O-N 2.85Å; K421-C424 PolarHBondContact O-N 3.33Å; K421-L425 VanDerWaalsContact O-CG 3.31Å; K421-L425 WeakPolarHBondContact O-CG 3.48Å; K421-L425 PolarHBondContact O-N 3.07Å; K421-L476 HydrophobicContact CB-CD2 4.11Å; K421-L476 HydrophobicContact CD-CD2 3.75Å; K421-L476 HydrophobicContact CG-CD2 3.93Å; K421-I479 HydrophobicContact CB-CD1 4.35Å; K421-I479 HydrophobicContact CD-CG2 4.42Å; K421-I479 HydrophobicContact CG-CB 4.32Å; K421-I479 HydrophobicContact CG-CD1 3.81Å; K421-I479 HydrophobicContact CG-CG2 3.81Å; K421-D480 WeakPolarHBondContact CE-OD1 3.29Å; K421-D480 IonicContact NZ-OD1 2.94Å; K421-D480 PolarHBondContact NZ-OD1 2.7Å; K421-D480 IonicContact NZ-OD2 3.73Å; K421-D480 PolarHBondContact NZ-OD2 3.1Å
422	E	92.8	Very high	94.2	Very high	146 Å²	146	38.5 Å²	38.5	68%	0.682	18%	0.183	S	C	*	.	H	α-helix	trans	-63.3	-55.4	-177.8	-171.2	-176.5	156	0	0	114.2	L420 C424 L425 K426	L420-E422 PolarHBondContact O-N 3.06Å; E422-C424 PolarHBondContact O-N 2.84Å; E422-L425 PolarHBondContact O-N 2.81Å; E422-K426 WeakPolarHBondContact O-CB 3.05Å; E422-K426 PolarHBondContact O-N 2.79Å
423	P	93.3	Very high	94.3	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.032	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-27.2	179.4	27	-36.4	0	0	0	112.8	F370 E373 L374 M377 K419 L420 C427	F370-P423 HydrophobicContact CE2-CB 4.34Å; E373-P423 HydrophobicContact CB-CB 4.25Å; E373-P423 HydrophobicContact CG-CB 4.14Å; L374-P423 HydrophobicContact CD2-CB 4.22Å; L374-P423 HydrophobicContact CD2-CG 3.77Å; M377-P423 HydrophobicContact CE-CG 3.68Å; M377-P423 HydrophobicContact SD-CG 3.73Å; K419-P423 WeakPolarHBondContact O-CD 3.2Å; L420-P423 WeakPolarHBondContact O-CD 3.48Å; L420-P423 WeakPolarHBondContact O-CG 3.26Å; P423-C427 WeakPolarHBondContact O-CB 3.22Å; P423-C427 PolarHBondContact O-N 3.4Å
424	C	95.8	Very high	94.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-69	-45.4	174.7	-67.4	0	0	0	0	111.7	L420 K421 E422 C427 I428 V475 I479 M672	L420-C424 WeakPolarHBondContact O-CB 3.36Å; L420-C424 PolarHBondContact O-N 3.09Å; L420-C424 PolarHBondContact O-SG 3.06Å; K421-C424 PolarHBondContact O-N 3.33Å; E422-C424 PolarHBondContact O-N 2.84Å; C424-C427 WeakPolarHBondContact O-CB 3.18Å; C424-C427 PolarHBondContact O-N 2.96Å; C424-I428 WeakPolarHBondContact O-CG1 3.42Å; C424-I428 PolarHBondContact O-N 3.41Å; C424-V475 HydrophobicContact CB-CG1 3.74Å; C424-I479 HydrophobicContact CB-CD1 4.04Å; C424-M672 HydrophobicContact CB-CE 3.69Å; C424-M672 HydrophobicContact CB-SD 3.89Å; C424-M672 WeakPolarHBondContact O-CE 3.13Å
425	L	96.3	Very high	94.5	Very high	49 Å²	49	41.6 Å²	41.6	26%	0.257	20%	0.198	S	C	.	.	H	α-helix	trans	-62	-45.3	173.7	-67.8	173	0	0	0	111.4	K421 E422 C427 I428 D429 K472 L476	K421-L425 VanDerWaalsContact O-CG 3.31Å; K421-L425 WeakPolarHBondContact O-CG 3.48Å; K421-L425 PolarHBondContact O-N 3.07Å; E422-L425 PolarHBondContact O-N 2.81Å; L425-C427 VanDerWaalsContact C-N 3.27Å; L425-C427 PolarHBondContact O-N 2.9Å; L425-I428 HydrophobicContact CD2-CD1 4.47Å; L425-I428 WeakPolarHBondContact O-CA 3.24Å; L425-I428 WeakPolarHBondContact O-CB 3.25Å; L425-I428 PolarHBondContact O-N 2.89Å; L425-D429 PolarHBondContact O-N 2.68Å; L425-K472 HydrophobicContact CD2-CB 3.84Å; L425-K472 HydrophobicContact CD2-CD 4.03Å; L425-K472 HydrophobicContact CD2-CG 3.64Å; L425-L476 HydrophobicContact CD1-CD2 4.4Å; L425-L476 HydrophobicContact CD2-CD1 4.48Å; L425-L476 HydrophobicContact CD2-CD2 4.43Å; L425-L476 HydrophobicContact CD2-CG 4.34Å
426	K	95.2	Very high	94.7	Very high	81 Å²	81	37.9 Å²	37.9	35%	0.352	18%	0.183	S	C	.	.	H	α-helix	trans	-60.2	-33.8	177.3	-170.7	175.8	-173.5	174.2	0	113.3	E373 E422 L430	E373-K426 HydrophobicContact CG-CD 4.25Å; E373-K426 IonicContact OE1-NZ 3.48Å; E373-K426 PolarHBondContact OE1-NZ 2.9Å; E422-K426 WeakPolarHBondContact O-CB 3.05Å; E422-K426 PolarHBondContact O-N 2.79Å; K426-L430 WeakPolarHBondContact O-CG 3.3Å; K426-L430 PolarHBondContact O-N 3.49Å; K426-L430 VanDerWaalsContact O-N 3.14Å
427	C	96.4	Very high	94.9	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.034	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-43.7	172.7	-173.5	0	0	0	0	111.6	F370 P423 C424 L425 L430 V431 M672	F370-C427 HydrophobicContact CB-CB 4.36Å; F370-C427 HydrophobicContact CD2-CB 3.66Å; F370-C427 HydrophobicContact CE2-CB 4.16Å; F370-C427 HydrophobicContact CG-CB 4.08Å; P423-C427 WeakPolarHBondContact O-CB 3.22Å; P423-C427 PolarHBondContact O-N 3.4Å; C424-C427 WeakPolarHBondContact O-CB 3.18Å; C424-C427 PolarHBondContact O-N 2.96Å; L425-C427 VanDerWaalsContact C-N 3.27Å; L425-C427 PolarHBondContact O-N 2.9Å; C427-L430 PolarHBondContact O-N 2.72Å; C427-V431 WeakPolarHBondContact O-CG2 3.48Å; C427-V431 PolarHBondContact O-N 2.74Å; C427-M672 HydrophobicContact CB-CE 4.43Å
428	I	97.4	Very high	94.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-47.5	176.1	-58.6	165.1	0	0	0	110.3	C424 L425 L430 V431 I432 T471 K472 V475 M672 I676 M680	C424-I428 WeakPolarHBondContact O-CG1 3.42Å; C424-I428 PolarHBondContact O-N 3.41Å; L425-I428 HydrophobicContact CD2-CD1 4.47Å; L425-I428 WeakPolarHBondContact O-CA 3.24Å; L425-I428 WeakPolarHBondContact O-CB 3.25Å; L425-I428 PolarHBondContact O-N 2.89Å; I428-L430 VanDerWaalsContact C-N 3.34Å; I428-L430 PolarHBondContact O-N 3.42Å; I428-V431 PolarHBondContact O-N 3.47Å; I428-V431 VanDerWaalsContact O-N 3.16Å; I428-I432 HydrophobicContact CG2-CD1 3.77Å; I428-I432 HydrophobicContact CG2-CG1 4.41Å; I428-I432 WeakPolarHBondContact O-CG1 3.41Å; I428-I432 PolarHBondContact O-N 3.46Å; I428-T471 HydrophobicContact CD1-CG2 4.21Å; I428-T471 HydrophobicContact CG1-CG2 4.32Å; I428-T471 HydrophobicContact CG2-CG2 4.36Å; I428-K472 HydrophobicContact CD1-CB 4.41Å; I428-K472 HydrophobicContact CD1-CG 3.74Å; I428-K472 HydrophobicContact CG2-CG 4.18Å; I428-V475 HydrophobicContact CD1-CB 4.01Å; I428-V475 HydrophobicContact CD1-CG1 4.15Å; I428-V475 HydrophobicContact CD1-CG2 3.95Å; I428-M672 HydrophobicContact CD1-CE 4.46Å; I428-M672 HydrophobicContact CG1-CE 4.2Å; I428-I676 HydrophobicContact CG1-CD1 3.73Å; I428-I676 HydrophobicContact CG1-CG1 4.02Å; I428-M680 HydrophobicContact CG2-CE 3.7Å
429	D	96.8	Very high	95.1	Very high	63 Å²	63	36.1 Å²	36.1	34%	0.337	17%	0.174	S	C	.	.	H	α-helix	trans	-58.6	-42	179.8	-69.1	-42.4	0	0	0	112.9	L425 I432 Q433 K472	L425-D429 PolarHBondContact O-N 2.68Å; D429-I432 PolarHBondContact O-N 3.21Å; D429-Q433 WeakPolarHBondContact O-CG 3.36Å; D429-Q433 PolarHBondContact O-N 2.93Å; D429-Q433 VanDerWaalsContact O-N 3.11Å; D429-K472 WeakPolarHBondContact OD1-CE 3.46Å; D429-K472 IonicContact OD1-NZ 2.7Å; D429-K472 PolarHBondContact OD1-NZ 3.15Å
430	L	96.1	Very high	95.2	Very high	55 Å²	55	38.3 Å²	38.3	29%	0.288	18%	0.181	S	C	.	.	H	α-helix	trans	-65.3	-38.9	176.8	-72	170.9	0	0	0	112.4	I365 R369 K426 C427 I428 Q433 E434	I365-L430 HydrophobicContact CD1-CB 4.04Å; I365-L430 HydrophobicContact CG1-CB 4.39Å; I365-L430 HydrophobicContact CG2-CB 4.06Å; R369-L430 HydrophobicContact CG-CD1 4.24Å; K426-L430 WeakPolarHBondContact O-CG 3.3Å; K426-L430 PolarHBondContact O-N 3.49Å; K426-L430 VanDerWaalsContact O-N 3.14Å; C427-L430 PolarHBondContact O-N 2.72Å; I428-L430 VanDerWaalsContact C-N 3.34Å; I428-L430 PolarHBondContact O-N 3.42Å; L430-Q433 PolarHBondContact O-N 3.14Å; L430-E434 PolarHBondContact O-N 3.43Å
431	V	97.3	Very high	95.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.4	-40.4	176.6	174.3	0	0	0	0	111.3	I362 I365 F366 C427 I428 Q433 E434 L435 I676 M680 I681	I362-V431 HydrophobicContact CD1-CG1 4.49Å; I362-V431 HydrophobicContact CG1-CG1 4.44Å; I362-V431 HydrophobicContact CG2-CG1 4.32Å; I362-V431 HydrophobicContact CG2-CG2 4.42Å; I365-V431 HydrophobicContact CB-CG2 4.43Å; I365-V431 HydrophobicContact CD1-CG2 4.41Å; I365-V431 HydrophobicContact CG2-CG2 3.88Å; F366-V431 HydrophobicContact CD1-CG2 4.35Å; F366-V431 HydrophobicContact CE1-CG2 3.67Å; F366-V431 HydrophobicContact CZ-CG2 4.07Å; C427-V431 WeakPolarHBondContact O-CG2 3.48Å; C427-V431 PolarHBondContact O-N 2.74Å; I428-V431 PolarHBondContact O-N 3.47Å; I428-V431 VanDerWaalsContact O-N 3.16Å; V431-Q433 VanDerWaalsContact C-N 3.32Å; V431-Q433 PolarHBondContact O-N 2.89Å; V431-E434 PolarHBondContact O-N 2.79Å; V431-L435 VanDerWaalsContact O-CB 3.31Å; V431-L435 WeakPolarHBondContact O-CB 3.45Å; V431-L435 PolarHBondContact O-N 3.07Å; V431-I676 HydrophobicContact CB-CG2 4.26Å; V431-I676 HydrophobicContact CG1-CG2 3.8Å; V431-I676 HydrophobicContact CG2-CG2 4.43Å; V431-M680 HydrophobicContact CG1-SD 4.4Å; V431-I681 HydrophobicContact CG1-CD1 3.96Å; V431-I681 HydrophobicContact CG1-CG1 4.38Å
432	I	96.4	Very high	95.1	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.082	19%	0.19	C	C	.	.	H	α-helix	trans	-59.2	-44	175.6	-69.6	160.7	0	0	0	111.2	I428 D429 E434 L435 I436 I464 D468 M680	I428-I432 HydrophobicContact CG2-CD1 3.77Å; I428-I432 HydrophobicContact CG2-CG1 4.41Å; I428-I432 WeakPolarHBondContact O-CG1 3.41Å; I428-I432 PolarHBondContact O-N 3.46Å; D429-I432 PolarHBondContact O-N 3.21Å; I432-E434 PolarHBondContact O-N 2.97Å; I432-L435 PolarHBondContact O-N 3.42Å; I432-I436 HydrophobicContact CG2-CD1 3.66Å; I432-I436 HydrophobicContact CG2-CG1 4.35Å; I432-I436 WeakPolarHBondContact O-CG1 3.33Å; I432-I436 PolarHBondContact O-N 2.93Å; I432-I464 HydrophobicContact CG2-CG2 4.08Å; I432-D468 HydrophobicContact CD1-CB 3.53Å; I432-D468 WeakPolarHBondContact CD1-OD1 3.16Å; I432-D468 HydrophobicContact CG1-CB 4.5Å; I432-M680 HydrophobicContact CD1-CE 3.81Å; I432-M680 HydrophobicContact CD1-SD 4.46Å; I432-M680 HydrophobicContact CG1-CE 3.54Å; I432-M680 HydrophobicContact CG1-SD 3.54Å; I432-M680 VanDerWaalsContact CG1-SD 3.54Å
433	Q	95.5	Very high	95.1	Very high	115 Å²	115	33.2 Å²	33.2	54%	0.537	16%	0.158	S	C	.	.	H	α-helix	trans	-59.2	-47.5	179	-72.8	172.5	18.3	0	0	111.2	D429 L430 V431 I436 N437	D429-Q433 WeakPolarHBondContact O-CG 3.36Å; D429-Q433 PolarHBondContact O-N 2.93Å; D429-Q433 VanDerWaalsContact O-N 3.11Å; L430-Q433 PolarHBondContact O-N 3.14Å; V431-Q433 VanDerWaalsContact C-N 3.32Å; V431-Q433 PolarHBondContact O-N 2.89Å; Q433-I436 PolarHBondContact O-N 3.09Å; Q433-N437 WeakPolarHBondContact O-CB 3.38Å; Q433-N437 PolarHBondContact O-N 2.76Å; Q433-N437 PolarHBondContact O-ND2 3.22Å
434	E	95.1	Very high	94.9	Very high	13 Å²	13	36.5 Å²	36.5	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-72.4	-30.7	178.4	-168.2	57.9	-163.1	0	0	113.2	G358 K361 I362 L430 V431 I432 N437 T438	G358-E434 PolarHBondContact N-OE1 3.31Å; K361-E434 HydrophobicContact CB-CG 3.98Å; K361-E434 HydrophobicContact CD-CG 3.82Å; K361-E434 WeakPolarHBondContact CD-OE1 3.37Å; K361-E434 WeakPolarHBondContact CD-OE2 3.46Å; K361-E434 IonicContact NZ-OE1 2.76Å; K361-E434 PolarHBondContact NZ-OE1 2.74Å; K361-E434 IonicContact NZ-OE2 2.66Å; K361-E434 PolarHBondContact NZ-OE2 2.7Å; I362-E434 HydrophobicContact CG1-CB 4.33Å; I362-E434 HydrophobicContact CG1-CG 4.31Å; L430-E434 PolarHBondContact O-N 3.43Å; V431-E434 PolarHBondContact O-N 2.79Å; I432-E434 PolarHBondContact O-N 2.97Å; E434-N437 PolarHBondContact O-N 2.71Å; E434-N437 PolarHBondContact OE2-ND2 3.14Å; E434-T438 WeakPolarHBondContact O-CB 3.3Å; E434-T438 PolarHBondContact O-N 2.98Å; E434-T438 PolarHBondContact O-OG1 2.77Å
435	L	96	Very high	94.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-43.5	174.8	-162.6	64.6	0	0	0	111.2	F340 I344 I362 V431 I432 T438 V439 I464 M680 I681	F340-L435 HydrophobicContact CE2-CD1 4.12Å; F340-L435 HydrophobicContact CZ-CD1 3.76Å; I344-L435 HydrophobicContact CD1-CD1 3.79Å; I362-L435 HydrophobicContact CD1-CD1 4.48Å; V431-L435 VanDerWaalsContact O-CB 3.31Å; V431-L435 WeakPolarHBondContact O-CB 3.45Å; V431-L435 PolarHBondContact O-N 3.07Å; I432-L435 PolarHBondContact O-N 3.42Å; L435-T438 WeakPolarHBondContact O-CB 3.46Å; L435-T438 PolarHBondContact O-N 2.78Å; L435-V439 WeakPolarHBondContact O-CG2 3.35Å; L435-V439 PolarHBondContact O-N 2.95Å; L435-I464 HydrophobicContact CD2-CD1 4Å; L435-I464 HydrophobicContact CD2-CG1 3.95Å; L435-I464 HydrophobicContact CD2-CG2 4.14Å; L435-I464 HydrophobicContact CG-CD1 3.91Å; L435-I464 HydrophobicContact CG-CG1 4.42Å; L435-M680 HydrophobicContact CD2-CG 3.88Å; L435-M680 HydrophobicContact CD2-SD 4.22Å; L435-I681 HydrophobicContact CD1-CG1 4.43Å
436	I	95.7	Very high	94	Very high	22 Å²	22	40.4 Å²	40.4	11%	0.113	19%	0.19	C	C	.	.	H	α-helix	trans	-66.8	-39.4	174.3	-67	170.9	0	0	0	111.1	I432 Q433 T438 V439 R440 T461 I464	I432-I436 HydrophobicContact CG2-CD1 3.66Å; I432-I436 HydrophobicContact CG2-CG1 4.35Å; I432-I436 WeakPolarHBondContact O-CG1 3.33Å; I432-I436 PolarHBondContact O-N 2.93Å; Q433-I436 PolarHBondContact O-N 3.09Å; I436-T438 VanDerWaalsContact C-N 3.3Å; I436-T438 PolarHBondContact O-N 3.18Å; I436-V439 PolarHBondContact O-N 3.29Å; I436-R440 WeakPolarHBondContact O-CG 3.35Å; I436-R440 PolarHBondContact O-N 2.76Å; I436-T461 HydrophobicContact CD1-CG2 4.05Å; I436-T461 HydrophobicContact CG1-CG2 4.26Å; I436-T461 HydrophobicContact CG2-CG2 4.45Å; I436-I464 HydrophobicContact CD1-CG2 4.42Å; I436-I464 HydrophobicContact CG1-CD1 4.25Å; I436-I464 HydrophobicContact CG1-CG2 4.17Å
437	N	94.2	Very high	93.5	Very high	63 Å²	63	40.2 Å²	40.2	34%	0.337	19%	0.193	S	C	.	.	H	α-helix	trans	-61.1	-39.4	172.9	-68.6	-23.7	0	0	0	111.8	Q433 E434 R440 Q441	Q433-N437 WeakPolarHBondContact O-CB 3.38Å; Q433-N437 PolarHBondContact O-N 2.76Å; Q433-N437 PolarHBondContact O-ND2 3.22Å; E434-N437 PolarHBondContact O-N 2.71Å; E434-N437 PolarHBondContact OE2-ND2 3.14Å; N437-R440 WeakPolarHBondContact O-CB 3.29Å; N437-R440 PolarHBondContact O-N 2.7Å; N437-Q441 WeakPolarHBondContact O-CG 3.5Å; N437-Q441 PolarHBondContact O-N 2.88Å
438	T	93.6	Very high	92.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-47.9	177.2	-55.4	0	0	0	0	110.8	F340 C343 I344 G358 E434 L435 I436 R440 Q441 C442	F340-T438 HydrophobicContact CD2-CG2 4.09Å; F340-T438 HydrophobicContact CE2-CG2 4.22Å; C343-T438 HydrophobicContact CB-CG2 3.63Å; I344-T438 HydrophobicContact CD1-CG2 4.02Å; I344-T438 HydrophobicContact CG1-CG2 4.37Å; G358-T438 WeakPolarHBondContact CA-OG1 3.15Å; E434-T438 WeakPolarHBondContact O-CB 3.3Å; E434-T438 PolarHBondContact O-N 2.98Å; E434-T438 PolarHBondContact O-OG1 2.77Å; L435-T438 WeakPolarHBondContact O-CB 3.46Å; L435-T438 PolarHBondContact O-N 2.78Å; I436-T438 VanDerWaalsContact C-N 3.3Å; I436-T438 PolarHBondContact O-N 3.18Å; T438-R440 VanDerWaalsContact C-N 3.3Å; T438-R440 PolarHBondContact O-N 2.63Å; T438-Q441 PolarHBondContact O-N 3.25Å; T438-C442 PolarHBondContact O-N 3.09Å; T438-C442 PolarHBondContact O-SG 3.06Å
439	V	95.9	Very high	92.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-52.6	-49.8	174.2	170.7	0	0	0	0	110.7	F336 F340 L435 I436 Q441 C442 T443 E457 V460 I464	F336-V439 HydrophobicContact CZ-CG1 4.27Å; F340-V439 HydrophobicContact CD2-CG2 4.17Å; F340-V439 HydrophobicContact CE2-CG2 3.76Å; L435-V439 WeakPolarHBondContact O-CG2 3.35Å; L435-V439 PolarHBondContact O-N 2.95Å; I436-V439 PolarHBondContact O-N 3.29Å; V439-Q441 PolarHBondContact O-N 3.07Å; V439-C442 PolarHBondContact O-N 3.33Å; V439-T443 HydrophobicContact CG1-CG2 4.19Å; V439-T443 WeakPolarHBondContact O-CG2 3.23Å; V439-T443 PolarHBondContact O-N 3Å; V439-T443 PolarHBondContact O-OG1 3.34Å; V439-E457 HydrophobicContact CG1-CG 4.48Å; V439-V460 HydrophobicContact CG1-CB 4.2Å; V439-V460 HydrophobicContact CG1-CG1 4.16Å; V439-V460 HydrophobicContact CG2-CG1 3.61Å; V439-I464 HydrophobicContact CG2-CD1 3.88Å
440	R	93.7	Very high	92.1	Very high	116 Å²	116	42.4 Å²	42.4	44%	0.438	21%	0.206	S	C	.	.	H	α-helix	trans	-55.5	-51.2	178	-77	169.4	168.5	177.8	-5.6	112.6	I436 N437 T438 C442 T443 N444 E457	I436-R440 WeakPolarHBondContact O-CG 3.35Å; I436-R440 PolarHBondContact O-N 2.76Å; N437-R440 WeakPolarHBondContact O-CB 3.29Å; N437-R440 PolarHBondContact O-N 2.7Å; T438-R440 VanDerWaalsContact C-N 3.3Å; T438-R440 PolarHBondContact O-N 2.63Å; R440-C442 VanDerWaalsContact C-N 3.31Å; R440-C442 PolarHBondContact O-N 2.88Å; R440-T443 WeakPolarHBondContact CA-OG1 3.29Å; R440-T443 PolarHBondContact O-N 3.44Å; R440-T443 VanDerWaalsContact O-N 3.14Å; R440-T443 PolarHBondContact O-OG1 3.4Å; R440-N444 PolarHBondContact O-N 2.78Å; R440-N444 VanDerWaalsContact O-N 3.14Å; R440-N444 PolarHBondContact O-OD1 3.21Å; R440-E457 HydrophobicContact CG-CG 4.33Å; R440-E457 IonicContact CZ-OE1 2.71Å; R440-E457 VanDerWaalsContact CZ-OE1 3.32Å; R440-E457 IonicContact NE-OE1 2.82Å; R440-E457 PolarHBondContact NE-OE1 3.12Å; R440-E457 IonicContact NH2-OE1 3.22Å; R440-E457 PolarHBondContact NH2-OE1 3.1Å
441	Q	91	Very high	91.8	Very high	90 Å²	90	44.3 Å²	44.3	42%	0.421	21%	0.21	S	C	.	.	H	α-helix	trans	-57.3	-43.5	178.7	-71.9	171.7	7.8	0	0	112	N437 T438 V439	N437-Q441 WeakPolarHBondContact O-CG 3.5Å; N437-Q441 PolarHBondContact O-N 2.88Å; T438-Q441 PolarHBondContact O-N 3.25Å; V439-Q441 PolarHBondContact O-N 3.07Å
442	C	91.9	Very high	91.5	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.027	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-43	175.1	-59.9	0	0	0	0	112.1	F336 T438 V439 R440 N444 K445	F336-C442 HydrophobicContact CD2-CB 3.79Å; F336-C442 HydrophobicContact CE2-CB 3.66Å; T438-C442 PolarHBondContact O-N 3.09Å; T438-C442 PolarHBondContact O-SG 3.06Å; V439-C442 PolarHBondContact O-N 3.33Å; R440-C442 VanDerWaalsContact C-N 3.31Å; R440-C442 PolarHBondContact O-N 2.88Å; C442-N444 VanDerWaalsContact C-N 3.29Å; C442-N444 PolarHBondContact O-N 3.01Å; C442-K445 PolarHBondContact O-N 3Å
443	T	93.5	Very high	91.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-20.2	-178.9	60.5	0	0	0	0	114.7	F336 V439 R440 K445 L446 R453 T456 E457	F336-T443 HydrophobicContact CD2-CG2 4.01Å; F336-T443 HydrophobicContact CE2-CG2 3.51Å; F336-T443 HydrophobicContact CZ-CG2 4.25Å; V439-T443 HydrophobicContact CG1-CG2 4.19Å; V439-T443 WeakPolarHBondContact O-CG2 3.23Å; V439-T443 PolarHBondContact O-N 3Å; V439-T443 PolarHBondContact O-OG1 3.34Å; R440-T443 WeakPolarHBondContact CA-OG1 3.29Å; R440-T443 PolarHBondContact O-N 3.44Å; R440-T443 VanDerWaalsContact O-N 3.14Å; R440-T443 PolarHBondContact O-OG1 3.4Å; T443-K445 PolarHBondContact O-N 2.81Å; T443-K445 VanDerWaalsContact O-N 3.14Å; T443-L446 HydrophobicContact CG2-CD1 4.29Å; T443-L446 WeakPolarHBondContact O-CA 3.38Å; T443-L446 WeakPolarHBondContact O-CB 3.45Å; T443-L446 PolarHBondContact O-N 3.04Å; T443-R453 WeakPolarHBondContact O-CD 3.21Å; T443-T456 HydrophobicContact CG2-CG2 4.06Å; T443-E457 HydrophobicContact CG2-CB 4.35Å
444	N	89.1	Confident	91.3	Very high	75 Å²	75	47.5 Å²	47.5	40%	0.401	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-57.8	-26.8	174.4	-67.8	-26.1	0	0	0	112.7	R440 C442 L446 D447 R453	R440-N444 PolarHBondContact O-N 2.78Å; R440-N444 VanDerWaalsContact O-N 3.14Å; R440-N444 PolarHBondContact O-OD1 3.21Å; C442-N444 VanDerWaalsContact C-N 3.29Å; C442-N444 PolarHBondContact O-N 3.01Å; N444-L446 PolarHBondContact O-N 3.23Å; N444-D447 WeakPolarHBondContact O-CB 3.37Å; N444-D447 PolarHBondContact O-N 3.08Å; N444-R453 PolarHBondContact OD1-NH1 3.35Å; N444-R453 PolarHBondContact OD1-NH2 2.91Å
445	K	85.9	Confident	91.2	Very high	125 Å²	125	48.7 Å²	48.7	54%	0.543	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-66.5	-15.3	174	-68.8	172.7	170.1	176.1	0	113.1	D339 C442 T443	D339-K445 IonicContact OD1-NZ 2.96Å; D339-K445 PolarHBondContact OD1-NZ 3.42Å; D339-K445 WeakPolarHBondContact OD2-CD 3.22Å; D339-K445 IonicContact OD2-NZ 2.74Å; D339-K445 PolarHBondContact OD2-NZ 3.34Å; C442-K445 PolarHBondContact O-N 3Å; T443-K445 PolarHBondContact O-N 2.81Å; T443-K445 VanDerWaalsContact O-N 3.14Å
446	L	87.3	Confident	91.1	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.026	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-88.3	2.3	179.3	-53.8	176	0	0	0	113.5	M332 T443 N444 S448 Y449 R453 T456	M332-L446 HydrophobicContact CB-CD2 3.86Å; M332-L446 HydrophobicContact CG-CD2 4.47Å; M332-L446 HydrophobicContact SD-CD2 4.34Å; T443-L446 HydrophobicContact CG2-CD1 4.29Å; T443-L446 WeakPolarHBondContact O-CA 3.38Å; T443-L446 WeakPolarHBondContact O-CB 3.45Å; T443-L446 PolarHBondContact O-N 3.04Å; N444-L446 PolarHBondContact O-N 3.23Å; L446-S448 PolarHBondContact O-N 2.98Å; L446-Y449 CarbonylContact O-C 3.49Å; L446-Y449 PolarHBondContact O-N 3.45Å; L446-R453 HydrophobicContact CB-CB 3.89Å; L446-T456 HydrophobicContact CD1-CG2 4.14Å
447	D	84.6	Confident	91.1	Very high	77 Å²	77	49.4 Å²	49.4	41%	0.412	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-11.4	-179.4	-76.3	-1.3	0	0	0	115.5	N444 Y449 R453	N444-D447 WeakPolarHBondContact O-CB 3.37Å; N444-D447 PolarHBondContact O-N 3.08Å; D447-Y449 PolarHBondContact O-N 3.39Å; D447-R453 WeakPolarHBondContact OD1-CD 3.4Å; D447-R453 IonicContact OD1-CZ 2.7Å; D447-R453 IonicContact OD1-NE 2.73Å; D447-R453 IonicContact OD1-NH1 3.19Å; D447-R453 PolarHBondContact OD1-NH1 3.36Å; D447-R453 IonicContact OD2-NH1 2.81Å
448	S	82.8	Confident	91.2	Very high	22 Å²	22	52.8 Å²	52.8	15%	0.154	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.9	166.9	-46.9	0	0	0	0	113.5	L446 S709 K712	L446-S448 PolarHBondContact O-N 2.98Å; S448-S709 PolarHBondContact O-N 3.04Å; S448-K712 PolarHBondContact OG-NZ 2.98Å
449	Y	88.5	Confident	91.3	Very high	43 Å²	43	53.3 Å²	53.3	17%	0.169	24%	0.241	C	C	.	.	S	Bend	trans	-135.5	83.7	-172.7	-57.9	-70.9	0	0	0	109.1	M332 L446 D447 R451 L452 R453 M706	M332-Y449 HydrophobicContact CG-CD2 4.48Å; M332-Y449 HydrophobicContact CG-CE2 4.38Å; L446-Y449 CarbonylContact O-C 3.49Å; L446-Y449 PolarHBondContact O-N 3.45Å; D447-Y449 PolarHBondContact O-N 3.39Å; Y449-R451 VanDerWaalsContact C-N 3.32Å; Y449-R451 PolarHBondContact O-N 2.74Å; Y449-L452 WeakPolarHBondContact O-CB 3.37Å; Y449-L452 PolarHBondContact O-N 2.66Å; Y449-L452 VanDerWaalsContact O-N 3.07Å; Y449-R453 PolarHBondContact O-N 2.78Å; Y449-M706 HydrophobicContact CD1-CB 4.45Å; Y449-M706 HydrophobicContact CD1-CE 4.01Å; Y449-M706 HydrophobicContact CD2-CE 3.77Å; Y449-M706 HydrophobicContact CE1-CE 3.86Å; Y449-M706 HydrophobicContact CE2-CE 3.63Å; Y449-M706 HydrophobicContact CG-CE 3.97Å; Y449-M706 HydrophobicContact CG-SD 4.48Å
450	P	89.8	Confident	91.4	Very high	50 Å²	50	53.3 Å²	53.3	33%	0.325	24%	0.241	S	C	.	.	H	α-helix	trans	-56.5	-39.5	-169.7	-29	36.7	0	0	0	114.4	R453 E454	P450-R453 WeakPolarHBondContact O-CB 3.04Å; P450-R453 PolarHBondContact O-N 3.13Å; P450-E454 WeakPolarHBondContact O-CG 3.48Å; P450-E454 PolarHBondContact O-N 3.29Å
451	R	90.3	Very high	91.6	Very high	94 Å²	94	48.4 Å²	48.4	36%	0.355	22%	0.223	S	C	.	.	H	α-helix	trans	-68	-37.5	177.7	-62.7	-167.7	-164.4	124.9	21.1	112.8	Y449 R453 E455 S704 E707	Y449-R451 VanDerWaalsContact C-N 3.32Å; Y449-R451 PolarHBondContact O-N 2.74Å; R451-R453 VanDerWaalsContact C-N 3.33Å; R451-E455 VanDerWaalsContact O-CB 3.26Å; R451-E455 WeakPolarHBondContact O-CB 3.33Å; R451-E455 PolarHBondContact O-N 3.05Å; R451-S704 PolarHBondContact NH1-O 3.25Å; R451-S704 PolarHBondContact NH1-OG 2.79Å; R451-E707 IonicContact CZ-OE1 3.15Å; R451-E707 IonicContact CZ-OE2 2.72Å; R451-E707 IonicContact NH1-OE1 3.62Å; R451-E707 IonicContact NH1-OE2 2.72Å; R451-E707 PolarHBondContact NH1-OE2 3.14Å; R451-E707 IonicContact NH2-OE1 3.76Å; R451-E707 PolarHBondContact NH2-OE1 2.88Å; R451-E707 IonicContact NH2-OE2 2.62Å; R451-E707 PolarHBondContact NH2-OE2 2.92Å
452	L	91.5	Very high	91.8	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-42.4	171.2	175.5	61.7	0	0	0	111.1	L329 M332 V333 Y449 T456 L696 L705 M706	L329-L452 HydrophobicContact CD1-CD1 3.46Å; L329-L452 VanDerWaalsContact CD1-CD1 3.46Å; L329-L452 HydrophobicContact CD1-CD2 4.07Å; L329-L452 HydrophobicContact CD1-CG 4.41Å; M332-L452 HydrophobicContact CB-CD2 3.99Å; M332-L452 HydrophobicContact CG-CD2 4.48Å; V333-L452 HydrophobicContact CG2-CD1 4.5Å; Y449-L452 WeakPolarHBondContact O-CB 3.37Å; Y449-L452 PolarHBondContact O-N 2.66Å; Y449-L452 VanDerWaalsContact O-N 3.07Å; L452-T456 WeakPolarHBondContact O-CB 3.46Å; L452-T456 PolarHBondContact O-N 3.06Å; L452-T456 PolarHBondContact O-OG1 2.68Å; L452-L696 HydrophobicContact CD1-CD1 4.06Å; L452-L696 HydrophobicContact CD1-CD2 4.06Å; L452-L705 HydrophobicContact CB-CD1 4.44Å; L452-L705 HydrophobicContact CB-CG 4.26Å; L452-L705 HydrophobicContact CD1-CD2 4.11Å; L452-L705 HydrophobicContact CD1-CG 4.21Å; L452-L705 PolarHBondContact N-O 2.81Å; L452-M706 HydrophobicContact CD2-SD 3.85Å
453	R	93.4	Very high	92	Very high	66 Å²	66	47.5 Å²	47.5	25%	0.249	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-55.9	175.9	171.4	171.5	170.4	-167.6	-5	111.2	T443 N444 L446 D447 Y449 P450 R451 E455 T456 E457	T443-R453 WeakPolarHBondContact O-CD 3.21Å; N444-R453 PolarHBondContact OD1-NH1 3.35Å; N444-R453 PolarHBondContact OD1-NH2 2.91Å; L446-R453 HydrophobicContact CB-CB 3.89Å; D447-R453 WeakPolarHBondContact OD1-CD 3.4Å; D447-R453 IonicContact OD1-CZ 2.7Å; D447-R453 IonicContact OD1-NE 2.73Å; D447-R453 IonicContact OD1-NH1 3.19Å; D447-R453 PolarHBondContact OD1-NH1 3.36Å; D447-R453 IonicContact OD2-NH1 2.81Å; Y449-R453 PolarHBondContact O-N 2.78Å; P450-R453 WeakPolarHBondContact O-CB 3.04Å; P450-R453 PolarHBondContact O-N 3.13Å; R451-R453 VanDerWaalsContact C-N 3.33Å; R453-E455 PolarHBondContact O-N 3.17Å; R453-T456 PolarHBondContact O-N 3.13Å; R453-E457 PolarHBondContact O-N 2.83Å
454	E	92.8	Very high	92.2	Very high	133 Å²	133	47.5 Å²	47.5	62%	0.621	22%	0.223	S	C	*	.	H	α-helix	trans	-57.2	-48.3	-178.2	-73.1	173.7	172.8	0	0	111.6	P450 T456 E457 R458	P450-E454 WeakPolarHBondContact O-CG 3.48Å; P450-E454 PolarHBondContact O-N 3.29Å; E454-T456 PolarHBondContact O-N 3.38Å; E454-E457 PolarHBondContact O-N 3.38Å; E454-R458 VanDerWaalsContact O-CB 3.28Å; E454-R458 WeakPolarHBondContact O-CB 3.41Å; E454-R458 PolarHBondContact O-N 3.04Å
455	E	93.4	Very high	92.5	Very high	37 Å²	37	51.5 Å²	51.5	17%	0.173	23%	0.233	C	C	.	.	H	α-helix	trans	-70.3	-33.6	-177.5	-172.3	59.2	-168.4	0	0	112.1	R451 R453 R458 I459 L696 A699 L705	R451-E455 VanDerWaalsContact O-CB 3.26Å; R451-E455 WeakPolarHBondContact O-CB 3.33Å; R451-E455 PolarHBondContact O-N 3.05Å; R453-E455 PolarHBondContact O-N 3.17Å; E455-R458 PolarHBondContact O-N 3.36Å; E455-R458 IonicContact OE1-CZ 2.71Å; E455-R458 IonicContact OE1-NE 2.67Å; E455-R458 PolarHBondContact OE1-NE 3.08Å; E455-R458 IonicContact OE1-NH2 3.58Å; E455-R458 PolarHBondContact OE1-NH2 2.85Å; E455-R458 IonicContact OE2-CZ 2.76Å; E455-R458 IonicContact OE2-NE 3.62Å; E455-R458 PolarHBondContact OE2-NE 3.43Å; E455-R458 IonicContact OE2-NH2 3.63Å; E455-I459 HydrophobicContact CG-CD1 3.82Å; E455-I459 HydrophobicContact CG-CG1 4.44Å; E455-I459 WeakPolarHBondContact O-CB 3.5Å; E455-I459 WeakPolarHBondContact O-CD1 3.48Å; E455-I459 VanDerWaalsContact O-CG1 3.24Å; E455-I459 WeakPolarHBondContact O-CG1 3.14Å; E455-I459 PolarHBondContact O-N 3.08Å; E455-L696 HydrophobicContact CB-CD2 4.23Å; E455-L696 HydrophobicContact CG-CD2 3.83Å; E455-A699 HydrophobicContact CG-CB 4.14Å; E455-A699 VanDerWaalsContact OE1-CB 3.3Å; E455-A699 WeakPolarHBondContact OE1-CB 3.36Å; E455-L705 HydrophobicContact CB-CD1 3.98Å; E455-L705 HydrophobicContact CG-CD1 4.26Å
456	T	95	Very high	92.9	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-65.3	-48.1	172.2	-58.7	0	0	0	0	111.5	F336 T443 L446 L452 R453 E454 R458 V460 L692	F336-T456 HydrophobicContact CD1-CG2 4.01Å; F336-T456 HydrophobicContact CD2-CG2 4.41Å; F336-T456 HydrophobicContact CE1-CG2 3.86Å; F336-T456 HydrophobicContact CE2-CG2 4.28Å; F336-T456 HydrophobicContact CG-CG2 4.29Å; F336-T456 HydrophobicContact CZ-CG2 4.01Å; T443-T456 HydrophobicContact CG2-CG2 4.06Å; L446-T456 HydrophobicContact CD1-CG2 4.14Å; L452-T456 WeakPolarHBondContact O-CB 3.46Å; L452-T456 PolarHBondContact O-N 3.06Å; L452-T456 PolarHBondContact O-OG1 2.68Å; R453-T456 PolarHBondContact O-N 3.13Å; E454-T456 PolarHBondContact O-N 3.38Å; T456-R458 VanDerWaalsContact C-N 3.31Å; T456-R458 PolarHBondContact O-N 3.49Å; T456-V460 WeakPolarHBondContact O-CG2 3.47Å; T456-V460 PolarHBondContact O-N 3.1Å; T456-V460 VanDerWaalsContact O-N 3.12Å; T456-L692 HydrophobicContact CG2-CD2 4.23Å
457	E	95.9	Very high	93.4	Very high	37 Å²	37	51.3 Å²	51.3	17%	0.173	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-44	175.1	-174.1	-178.6	149.8	0	0	110.4	V439 R440 T443 R453 E454 T461	V439-E457 HydrophobicContact CG1-CG 4.48Å; R440-E457 HydrophobicContact CG-CG 4.33Å; R440-E457 IonicContact CZ-OE1 2.71Å; R440-E457 VanDerWaalsContact CZ-OE1 3.32Å; R440-E457 IonicContact NE-OE1 2.82Å; R440-E457 PolarHBondContact NE-OE1 3.12Å; R440-E457 IonicContact NH2-OE1 3.22Å; R440-E457 PolarHBondContact NH2-OE1 3.1Å; T443-E457 HydrophobicContact CG2-CB 4.35Å; R453-E457 PolarHBondContact O-N 2.83Å; E454-E457 PolarHBondContact O-N 3.38Å; E457-T461 WeakPolarHBondContact O-CB 3.5Å; E457-T461 PolarHBondContact O-N 3.3Å; E457-T461 PolarHBondContact O-OG1 3.13Å
458	R	95.6	Very high	93.9	Very high	133 Å²	133	48.9 Å²	48.9	50%	0.502	22%	0.219	S	C	.	.	H	α-helix	trans	-61.1	-51.2	-179.7	-166.5	-166.8	71.6	73.1	-1.7	112.2	E454 E455 T456 T462	E454-R458 VanDerWaalsContact O-CB 3.28Å; E454-R458 WeakPolarHBondContact O-CB 3.41Å; E454-R458 PolarHBondContact O-N 3.04Å; E455-R458 PolarHBondContact O-N 3.36Å; E455-R458 IonicContact OE1-CZ 2.71Å; E455-R458 IonicContact OE1-NE 2.67Å; E455-R458 PolarHBondContact OE1-NE 3.08Å; E455-R458 IonicContact OE1-NH2 3.58Å; E455-R458 PolarHBondContact OE1-NH2 2.85Å; E455-R458 IonicContact OE2-CZ 2.76Å; E455-R458 IonicContact OE2-NE 3.62Å; E455-R458 PolarHBondContact OE2-NE 3.43Å; E455-R458 IonicContact OE2-NH2 3.63Å; T456-R458 VanDerWaalsContact C-N 3.31Å; T456-R458 PolarHBondContact O-N 3.49Å; R458-T462 WeakPolarHBondContact O-CB 3.31Å; R458-T462 PolarHBondContact O-N 3.45Å; R458-T462 PolarHBondContact O-OG1 3.32Å
459	I	96.3	Very high	94.3	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.062	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-51.2	-178.2	-69.5	163.6	0	0	0	110.3	E455 T461 T462 H463 F687 L692 Y695 L696	E455-I459 HydrophobicContact CG-CD1 3.82Å; E455-I459 HydrophobicContact CG-CG1 4.44Å; E455-I459 WeakPolarHBondContact O-CB 3.5Å; E455-I459 WeakPolarHBondContact O-CD1 3.48Å; E455-I459 VanDerWaalsContact O-CG1 3.24Å; E455-I459 WeakPolarHBondContact O-CG1 3.14Å; E455-I459 PolarHBondContact O-N 3.08Å; I459-T461 PolarHBondContact O-N 3.12Å; I459-T462 WeakPolarHBondContact O-CB 3.48Å; I459-T462 PolarHBondContact O-N 3.17Å; I459-H463 PolarHBondContact O-N 2.95Å; I459-F687 HydrophobicContact CG2-CE1 3.93Å; I459-F687 HydrophobicContact CG2-CZ 3.69Å; I459-L692 HydrophobicContact CB-CD1 4.1Å; I459-L692 HydrophobicContact CG2-CD1 3.7Å; I459-Y695 HydrophobicContact CG2-CG 4.42Å; I459-L696 HydrophobicContact CD1-CD2 3.72Å; I459-L696 HydrophobicContact CD1-CG 4.01Å
460	V	97.5	Very high	94.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.4	-40.7	-176.7	-178.5	0	0	0	0	111.5	F336 V439 T456 T462 H463 I464 T684 F687 I688 L692	F336-V460 HydrophobicContact CE1-CG2 4.11Å; F336-V460 HydrophobicContact CZ-CG2 4.26Å; V439-V460 HydrophobicContact CG1-CB 4.2Å; V439-V460 HydrophobicContact CG1-CG1 4.16Å; V439-V460 HydrophobicContact CG2-CG1 3.61Å; T456-V460 WeakPolarHBondContact O-CG2 3.47Å; T456-V460 PolarHBondContact O-N 3.1Å; T456-V460 VanDerWaalsContact O-N 3.12Å; V460-T462 VanDerWaalsContact C-N 3.27Å; V460-T462 PolarHBondContact O-N 3.12Å; V460-H463 PolarHBondContact O-N 3.01Å; V460-I464 HydrophobicContact CG1-CD1 4.08Å; V460-I464 WeakPolarHBondContact O-CG1 3.34Å; V460-I464 PolarHBondContact O-N 3.32Å; V460-T684 HydrophobicContact CG1-CG2 4.15Å; V460-F687 HydrophobicContact CG2-CE1 4.5Å; V460-I688 HydrophobicContact CG1-CD1 3.83Å; V460-I688 HydrophobicContact CG1-CG1 4.08Å; V460-I688 HydrophobicContact CG2-CD1 4.49Å; V460-I688 HydrophobicContact CG2-CG1 4.02Å; V460-L692 HydrophobicContact CG2-CD1 3.86Å; V460-L692 HydrophobicContact CG2-CD2 3.93Å; V460-L692 HydrophobicContact CG2-CG 4.49Å
461	T	96.8	Very high	95	Very high	12 Å²	12	53.3 Å²	53.3	7%	0.074	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-32.9	175.3	-58.1	0	0	0	0	111.9	I436 E457 I459 R465	I436-T461 HydrophobicContact CD1-CG2 4.05Å; I436-T461 HydrophobicContact CG1-CG2 4.26Å; I436-T461 HydrophobicContact CG2-CG2 4.45Å; E457-T461 WeakPolarHBondContact O-CB 3.5Å; E457-T461 PolarHBondContact O-N 3.3Å; E457-T461 PolarHBondContact O-OG1 3.13Å; I459-T461 PolarHBondContact O-N 3.12Å; T461-R465 WeakPolarHBondContact O-CG 3.23Å; T461-R465 PolarHBondContact O-N 2.75Å; T461-R465 VanDerWaalsContact O-N 3.16Å
462	T	96.1	Very high	95.4	Very high	61 Å²	61	50.5 Å²	50.5	37%	0.374	23%	0.227	S	C	.	.	H	α-helix	trans	-67	-46.5	174.6	-56.4	0	0	0	0	110.8	R458 I459 V460 I464 R465 E466	R458-T462 WeakPolarHBondContact O-CB 3.31Å; R458-T462 PolarHBondContact O-N 3.45Å; R458-T462 PolarHBondContact O-OG1 3.32Å; I459-T462 WeakPolarHBondContact O-CB 3.48Å; I459-T462 PolarHBondContact O-N 3.17Å; V460-T462 VanDerWaalsContact C-N 3.27Å; V460-T462 PolarHBondContact O-N 3.12Å; T462-I464 PolarHBondContact O-N 3.02Å; T462-R465 PolarHBondContact O-N 3.31Å; T462-R465 VanDerWaalsContact O-N 3.16Å; T462-E466 PolarHBondContact O-N 3.18Å
463	H	96.9	Very high	95.6	Very high	15 Å²	15	55.5 Å²	55.5	7%	0.069	25%	0.253	C	S	.	.	H	α-helix	trans	-59.9	-42.9	176	-176.9	85.3	0	0	0	112.5	I459 V460 R465 E466 R467 N683 F687	I459-H463 PolarHBondContact O-N 2.95Å; V460-H463 PolarHBondContact O-N 3.01Å; H463-R465 VanDerWaalsContact C-N 3.3Å; H463-R465 PolarHBondContact O-N 2.81Å; H463-E466 WeakPolarHBondContact O-CB 3.21Å; H463-E466 PolarHBondContact O-N 3.36Å; H463-E466 VanDerWaalsContact O-N 3.1Å; H463-R467 PolarHBondContact CE1-NH1 3.01Å; H463-R467 WeakPolarHBondContact O-CG 3.25Å; H463-R467 PolarHBondContact O-N 3.38Å; H463-N683 PolarHBondContact NE2-O 3.35Å; H463-F687 HydrophobicContact CB-CD1 3.99Å; H463-F687 HydrophobicContact CB-CE1 3.78Å; H463-F687 HydrophobicContact CB-CE2 4.46Å; H463-F687 HydrophobicContact CB-CG 4.43Å; H463-F687 HydrophobicContact CB-CZ 4.04Å; H463-F687 AromaticContact CD2-CD1 3.89Å; H463-F687 AromaticContact CD2-CG 3.82Å; H463-F687 AromaticContact CE1-CD2 3.55Å; H463-F687 AromaticContact CE1-CG 3.58Å; H463-F687 AromaticContact CG-CD1 3.78Å; H463-F687 AromaticContact CG-CG 3.77Å; H463-F687 AromaticContact ND1-CD2 3.49Å; H463-F687 WeakPolarHBondContact ND1-CD2 3.22Å; H463-F687 AromaticContact ND1-CE2 3.79Å; H463-F687 AromaticContact ND1-CG 3.68Å; H463-F687 WeakPolarHBondContact NE2-CB 3.1Å; H463-F687 AromaticContact NE2-CG 3.69Å
464	I	97.3	Very high	95.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-42.3	175.6	-68.6	165.9	0	0	0	111	I432 L435 I436 V439 V460 T462 E466 R467 D468 T684	I432-I464 HydrophobicContact CG2-CG2 4.08Å; L435-I464 HydrophobicContact CD2-CD1 4Å; L435-I464 HydrophobicContact CD2-CG1 3.95Å; L435-I464 HydrophobicContact CD2-CG2 4.14Å; L435-I464 HydrophobicContact CG-CD1 3.91Å; L435-I464 HydrophobicContact CG-CG1 4.42Å; I436-I464 HydrophobicContact CD1-CG2 4.42Å; I436-I464 HydrophobicContact CG1-CD1 4.25Å; I436-I464 HydrophobicContact CG1-CG2 4.17Å; V439-I464 HydrophobicContact CG2-CD1 3.88Å; V460-I464 HydrophobicContact CG1-CD1 4.08Å; V460-I464 WeakPolarHBondContact O-CG1 3.34Å; V460-I464 PolarHBondContact O-N 3.32Å; T462-I464 PolarHBondContact O-N 3.02Å; I464-E466 VanDerWaalsContact C-N 3.34Å; I464-E466 PolarHBondContact O-N 2.82Å; I464-R467 CarbonylContact O-C 3.54Å; I464-R467 PolarHBondContact O-N 3.39Å; I464-R467 VanDerWaalsContact O-N 3.1Å; I464-D468 PolarHBondContact O-N 2.91Å; I464-T684 HydrophobicContact CD1-CG2 4.11Å; I464-T684 HydrophobicContact CG1-CG2 3.76Å
465	R	95.3	Very high	96	Very high	158 Å²	158	49.6 Å²	49.6	60%	0.596	23%	0.228	S	C	*	.	H	α-helix	trans	-67.7	-29.6	176.2	-70.8	172.6	-179.1	-177.1	1.2	113.4	T461 T462 H463 D468	T461-R465 WeakPolarHBondContact O-CG 3.23Å; T461-R465 PolarHBondContact O-N 2.75Å; T461-R465 VanDerWaalsContact O-N 3.16Å; T462-R465 PolarHBondContact O-N 3.31Å; T462-R465 VanDerWaalsContact O-N 3.16Å; H463-R465 VanDerWaalsContact C-N 3.3Å; H463-R465 PolarHBondContact O-N 2.81Å; R465-D468 WeakPolarHBondContact O-CB 3.48Å
466	E	94.8	Very high	96.1	Very high	96 Å²	96	50.1 Å²	50.1	45%	0.449	23%	0.232	S	C	.	.	H	α-helix	trans	-71.7	-30.8	168.9	-68.2	-172.4	-170.1	0	0	113.1	T462 H463 I464	T462-E466 PolarHBondContact O-N 3.18Å; H463-E466 WeakPolarHBondContact O-CB 3.21Å; H463-E466 PolarHBondContact O-N 3.36Å; H463-E466 VanDerWaalsContact O-N 3.1Å; I464-E466 VanDerWaalsContact C-N 3.34Å; I464-E466 PolarHBondContact O-N 2.82Å
467	R	96.1	Very high	96.2	Very high	31 Å²	31	54.3 Å²	54.3	12%	0.117	25%	0.254	C	S	.	.	H	α-helix	trans	-75.3	-30.4	175.2	-65.2	-43.5	95.3	128	7.2	112.3	H463 I464 K470 T471 L679 M680 N683	H463-R467 PolarHBondContact CE1-NH1 3.01Å; H463-R467 WeakPolarHBondContact O-CG 3.25Å; H463-R467 PolarHBondContact O-N 3.38Å; I464-R467 CarbonylContact O-C 3.54Å; I464-R467 PolarHBondContact O-N 3.39Å; I464-R467 VanDerWaalsContact O-N 3.1Å; R467-K470 VanDerWaalsContact NH2-NZ 3.19Å; R467-K470 PolarHBondContact O-N 2.87Å; R467-T471 VanDerWaalsContact O-CB 3.29Å; R467-T471 WeakPolarHBondContact O-CB 3.26Å; R467-T471 PolarHBondContact O-N 2.86Å; R467-T471 PolarHBondContact O-OG1 3.01Å; R467-L679 WeakPolarHBondContact CD-O 3.3Å; R467-M680 HydrophobicContact CB-CB 4.31Å; R467-M680 HydrophobicContact CB-CG 4.12Å; R467-N683 WeakPolarHBondContact CD-OD1 3.42Å; R467-N683 PolarHBondContact NH1-OD1 3.34Å
468	D	94.9	Very high	96.2	Very high	25 Å²	25	54 Å²	54	13%	0.134	25%	0.253	C	S	.	.	H	α-helix	trans	-49.7	-65.5	173	-179.9	18.9	0	0	0	111.5	I432 I464 R465 K470 T471 K472	I432-D468 HydrophobicContact CD1-CB 3.53Å; I432-D468 WeakPolarHBondContact CD1-OD1 3.16Å; I432-D468 HydrophobicContact CG1-CB 4.5Å; I464-D468 PolarHBondContact O-N 2.91Å; R465-D468 WeakPolarHBondContact O-CB 3.48Å; D468-K470 VanDerWaalsContact C-N 3.33Å; D468-K470 PolarHBondContact O-N 2.93Å; D468-T471 WeakPolarHBondContact O-CA 3.2Å; D468-T471 WeakPolarHBondContact O-CB 3.38Å; D468-T471 PolarHBondContact O-N 3.22Å; D468-K472 PolarHBondContact O-N 3.25Å; D468-K472 WeakPolarHBondContact OD1-CD 3.24Å; D468-K472 WeakPolarHBondContact OD1-CE 3.49Å; D468-K472 WeakPolarHBondContact OD1-CG 3.32Å; D468-K472 IonicContact OD1-NZ 2.74Å; D468-K472 PolarHBondContact OD1-NZ 2.69Å; D468-K472 IonicContact OD2-NZ 3.18Å; D468-K472 PolarHBondContact OD2-NZ 3.45Å
469	N	92.7	Very high	96.1	Very high	98 Å²	98	47.7 Å²	47.7	52%	0.524	23%	0.23	S	C	.	.	H	α-helix	trans	-53	-49.1	-177.8	-65	-28.6	0	0	0	111.9	T471 K472 D473	N469-T471 VanDerWaalsContact C-N 3.29Å; N469-T471 PolarHBondContact O-N 3.39Å; N469-K472 PolarHBondContact O-N 2.9Å; N469-D473 WeakPolarHBondContact O-CB 3.3Å; N469-D473 PolarHBondContact O-N 2.99Å
470	K	96	Very high	96.1	Very high	110 Å²	110	50.4 Å²	50.4	48%	0.478	24%	0.244	S	C	.	.	H	α-helix	trans	-62.1	-33.8	178.8	-66.5	175.3	-176.6	172.7	0	113.2	R467 D468 Q474	R467-K470 VanDerWaalsContact NH2-NZ 3.19Å; R467-K470 PolarHBondContact O-N 2.87Å; D468-K470 VanDerWaalsContact C-N 3.33Å; D468-K470 PolarHBondContact O-N 2.93Å; K470-Q474 WeakPolarHBondContact O-CB 3.41Å; K470-Q474 PolarHBondContact O-N 3.05Å; K470-Q474 VanDerWaalsContact O-N 3.16Å
471	T	97.3	Very high	96.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-74.8	-41.5	177.2	-53.8	0	0	0	0	110.6	I428 R467 D468 N469 Q474 V475 I676 M680	I428-T471 HydrophobicContact CD1-CG2 4.21Å; I428-T471 HydrophobicContact CG1-CG2 4.32Å; I428-T471 HydrophobicContact CG2-CG2 4.36Å; R467-T471 VanDerWaalsContact O-CB 3.29Å; R467-T471 WeakPolarHBondContact O-CB 3.26Å; R467-T471 PolarHBondContact O-N 2.86Å; R467-T471 PolarHBondContact O-OG1 3.01Å; D468-T471 WeakPolarHBondContact O-CA 3.2Å; D468-T471 WeakPolarHBondContact O-CB 3.38Å; D468-T471 PolarHBondContact O-N 3.22Å; N469-T471 VanDerWaalsContact C-N 3.29Å; N469-T471 PolarHBondContact O-N 3.39Å; T471-Q474 PolarHBondContact O-N 2.84Å; T471-V475 WeakPolarHBondContact O-CB 3.33Å; T471-V475 VanDerWaalsContact O-CG2 3.31Å; T471-V475 WeakPolarHBondContact O-CG2 3.29Å; T471-V475 PolarHBondContact O-N 2.67Å; T471-I676 HydrophobicContact CG2-CB 4.5Å; T471-I676 HydrophobicContact CG2-CG1 3.87Å; T471-M680 HydrophobicContact CG2-CE 4.31Å
472	K	97.1	Very high	95.9	Very high	36 Å²	36	55.9 Å²	55.9	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-47.5	173.9	-72.3	178.7	170.6	146.9	0	111.5	L425 I428 D429 D468 N469 Q474 V475 L476	L425-K472 HydrophobicContact CD2-CB 3.84Å; L425-K472 HydrophobicContact CD2-CD 4.03Å; L425-K472 HydrophobicContact CD2-CG 3.64Å; I428-K472 HydrophobicContact CD1-CB 4.41Å; I428-K472 HydrophobicContact CD1-CG 3.74Å; I428-K472 HydrophobicContact CG2-CG 4.18Å; D429-K472 WeakPolarHBondContact OD1-CE 3.46Å; D429-K472 IonicContact OD1-NZ 2.7Å; D429-K472 PolarHBondContact OD1-NZ 3.15Å; D468-K472 PolarHBondContact O-N 3.25Å; D468-K472 WeakPolarHBondContact OD1-CD 3.24Å; D468-K472 WeakPolarHBondContact OD1-CE 3.49Å; D468-K472 WeakPolarHBondContact OD1-CG 3.32Å; D468-K472 IonicContact OD1-NZ 2.74Å; D468-K472 PolarHBondContact OD1-NZ 2.69Å; D468-K472 IonicContact OD2-NZ 3.18Å; D468-K472 PolarHBondContact OD2-NZ 3.45Å; N469-K472 PolarHBondContact O-N 2.9Å; K472-Q474 PolarHBondContact O-N 2.92Å; K472-V475 PolarHBondContact O-N 2.87Å; K472-L476 WeakPolarHBondContact O-CB 3.27Å; K472-L476 VanDerWaalsContact O-CG 3.29Å; K472-L476 WeakPolarHBondContact O-CG 3.34Å; K472-L476 PolarHBondContact O-N 2.71Å
473	D	96.8	Very high	95.9	Very high	105 Å²	105	54.2 Å²	54.2	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-57.9	-47.9	176.6	-67.5	-26.4	0	0	0	111.6	N469 V475 L476 L477	N469-D473 WeakPolarHBondContact O-CB 3.3Å; N469-D473 PolarHBondContact O-N 2.99Å; D473-V475 PolarHBondContact O-N 2.7Å; D473-L476 PolarHBondContact O-N 2.83Å; D473-L477 WeakPolarHBondContact O-CB 3.34Å; D473-L477 PolarHBondContact O-N 3.36Å
474	Q	97.4	Very high	95.8	Very high	73 Å²	73	57.5 Å²	57.5	34%	0.341	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-38.5	177.8	-177.6	61.1	59	0	0	112.5	K470 T471 K472 L477 L478 T675 L679	K470-Q474 WeakPolarHBondContact O-CB 3.41Å; K470-Q474 PolarHBondContact O-N 3.05Å; K470-Q474 VanDerWaalsContact O-N 3.16Å; T471-Q474 PolarHBondContact O-N 2.84Å; K472-Q474 PolarHBondContact O-N 2.92Å; Q474-L477 PolarHBondContact O-N 3.4Å; Q474-L478 WeakPolarHBondContact O-CG 3.34Å; Q474-L478 PolarHBondContact O-N 2.81Å; Q474-T675 HydrophobicContact CB-CG2 4.33Å; Q474-T675 HydrophobicContact CG-CG2 3.83Å; Q474-L679 HydrophobicContact CB-CD1 3.69Å; Q474-L679 HydrophobicContact CG-CD1 3.78Å
475	V	96.1	Very high	95.6	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-69.6	-39.6	178.6	158.9	0	0	0	0	111.8	C424 I428 T471 K472 D473 L477 L478 I479 M672 T675	C424-V475 HydrophobicContact CB-CG1 3.74Å; I428-V475 HydrophobicContact CD1-CB 4.01Å; I428-V475 HydrophobicContact CD1-CG1 4.15Å; I428-V475 HydrophobicContact CD1-CG2 3.95Å; T471-V475 WeakPolarHBondContact O-CB 3.33Å; T471-V475 VanDerWaalsContact O-CG2 3.31Å; T471-V475 WeakPolarHBondContact O-CG2 3.29Å; T471-V475 PolarHBondContact O-N 2.67Å; K472-V475 PolarHBondContact O-N 2.87Å; D473-V475 PolarHBondContact O-N 2.7Å; V475-L477 VanDerWaalsContact C-N 3.34Å; V475-L478 PolarHBondContact O-N 2.67Å; V475-I479 HydrophobicContact CG1-CD1 4.42Å; V475-I479 WeakPolarHBondContact O-CG1 3.34Å; V475-I479 PolarHBondContact O-N 3.41Å; V475-I479 VanDerWaalsContact O-N 3.17Å; V475-M672 HydrophobicContact CB-SD 4.03Å; V475-M672 HydrophobicContact CG1-CE 3.84Å; V475-M672 HydrophobicContact CG1-SD 3.4Å; V475-M672 WeakPolarHBondContact CG1-SD 3.25Å; V475-M672 HydrophobicContact CG2-CE 3.89Å; V475-M672 HydrophobicContact CG2-SD 3.44Å; V475-M672 WeakPolarHBondContact CG2-SD 3.25Å; V475-T675 HydrophobicContact CG2-CG2 3.91Å
476	L	96.2	Very high	95.5	Very high	49 Å²	49	57.7 Å²	57.7	26%	0.257	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-42.4	172.9	-69.2	171.5	0	0	0	111	K421 L425 K472 D473 L478 I479 D480	K421-L476 HydrophobicContact CB-CD2 4.11Å; K421-L476 HydrophobicContact CD-CD2 3.75Å; K421-L476 HydrophobicContact CG-CD2 3.93Å; L425-L476 HydrophobicContact CD1-CD2 4.4Å; L425-L476 HydrophobicContact CD2-CD1 4.48Å; L425-L476 HydrophobicContact CD2-CD2 4.43Å; L425-L476 HydrophobicContact CD2-CG 4.34Å; K472-L476 WeakPolarHBondContact O-CB 3.27Å; K472-L476 VanDerWaalsContact O-CG 3.29Å; K472-L476 WeakPolarHBondContact O-CG 3.34Å; K472-L476 PolarHBondContact O-N 2.71Å; D473-L476 PolarHBondContact O-N 2.83Å; L476-L478 VanDerWaalsContact C-N 3.35Å; L476-L478 PolarHBondContact O-N 2.84Å; L476-I479 PolarHBondContact O-N 2.89Å; L476-D480 PolarHBondContact O-N 3.22Å
477	L	96.8	Very high	95.4	Very high	89 Å²	89	55.8 Å²	55.8	47%	0.466	28%	0.28	S	S	.	.	H	α-helix	trans	-60.1	-39.5	173.5	176.9	61	0	0	0	112.8	D473 Q474 V475 I479 D480 I481	D473-L477 WeakPolarHBondContact O-CB 3.34Å; D473-L477 PolarHBondContact O-N 3.36Å; Q474-L477 PolarHBondContact O-N 3.4Å; V475-L477 VanDerWaalsContact C-N 3.34Å; L477-I479 VanDerWaalsContact C-N 3.33Å; L477-I479 PolarHBondContact O-N 2.95Å; L477-D480 PolarHBondContact O-N 2.77Å; L477-I481 HydrophobicContact CD1-CD1 4.41Å; L477-I481 HydrophobicContact CD1-CG1 4.46Å; L477-I481 HydrophobicContact CG-CD1 4.2Å; L477-I481 VanDerWaalsContact O-CG1 3.3Å; L477-I481 WeakPolarHBondContact O-CG1 3.43Å; L477-I481 PolarHBondContact O-N 2.85Å
478	L	95.8	Very high	95.1	Very high	30 Å²	30	57 Å²	57	16%	0.157	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-39.4	175.3	-73	172.6	0	0	0	112.2	Q474 V475 L476 I481 E482 L671 T675	Q474-L478 WeakPolarHBondContact O-CG 3.34Å; Q474-L478 PolarHBondContact O-N 2.81Å; V475-L478 PolarHBondContact O-N 2.67Å; L476-L478 VanDerWaalsContact C-N 3.35Å; L476-L478 PolarHBondContact O-N 2.84Å; L478-I481 PolarHBondContact O-N 3.33Å; L478-E482 PolarHBondContact O-N 3.34Å; L478-E482 VanDerWaalsContact O-N 3.17Å; L478-L671 HydrophobicContact CD1-CD2 3.87Å; L478-L671 HydrophobicContact CD1-CG 4.11Å; L478-L671 HydrophobicContact CD2-CD2 3.76Å; L478-L671 HydrophobicContact CG-CD2 4.34Å; L478-T675 HydrophobicContact CD1-CG2 4.38Å; L478-T675 WeakPolarHBondContact CD1-OG1 3.26Å
479	I	95.3	Very high	94.9	Very high	1 Å²	1	62 Å²	62	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-71.2	-35.9	175.8	-62.2	167.5	0	0	0	110.8	I417 L420 K421 C424 V475 L476 L477 I481 E482 L483 I668	I417-I479 HydrophobicContact CG2-CG2 3.98Å; L420-I479 HydrophobicContact CB-CD1 4.43Å; K421-I479 HydrophobicContact CB-CD1 4.35Å; K421-I479 HydrophobicContact CD-CG2 4.42Å; K421-I479 HydrophobicContact CG-CB 4.32Å; K421-I479 HydrophobicContact CG-CD1 3.81Å; K421-I479 HydrophobicContact CG-CG2 3.81Å; C424-I479 HydrophobicContact CB-CD1 4.04Å; V475-I479 HydrophobicContact CG1-CD1 4.42Å; V475-I479 WeakPolarHBondContact O-CG1 3.34Å; V475-I479 PolarHBondContact O-N 3.41Å; V475-I479 VanDerWaalsContact O-N 3.17Å; L476-I479 PolarHBondContact O-N 2.89Å; L477-I479 VanDerWaalsContact C-N 3.33Å; L477-I479 PolarHBondContact O-N 2.95Å; I479-I481 VanDerWaalsContact C-N 3.29Å; I479-I481 PolarHBondContact O-N 2.99Å; I479-E482 PolarHBondContact O-N 3.3Å; I479-L483 HydrophobicContact CG2-CD1 4.44Å; I479-L483 WeakPolarHBondContact O-CG 3.4Å; I479-L483 PolarHBondContact O-N 2.84Å; I479-I668 HydrophobicContact CG1-CD1 4.2Å
480	D	96	Very high	94.8	Very high	69 Å²	69	60.6 Å²	60.6	37%	0.369	31%	0.308	S	S	.	.	H	α-helix	trans	-70.1	-24.9	175	-70	-37	0	0	0	112.7	K421 L476 L477 L483 S484	K421-D480 WeakPolarHBondContact CE-OD1 3.29Å; K421-D480 IonicContact NZ-OD1 2.94Å; K421-D480 PolarHBondContact NZ-OD1 2.7Å; K421-D480 IonicContact NZ-OD2 3.73Å; K421-D480 PolarHBondContact NZ-OD2 3.1Å; L476-D480 PolarHBondContact O-N 3.22Å; L477-D480 PolarHBondContact O-N 2.77Å; D480-L483 PolarHBondContact O-N 3.37Å; D480-S484 PolarHBondContact O-N 2.95Å
481	I	96.1	Very high	94.5	Very high	91 Å²	91	64.7 Å²	64.7	47%	0.467	33%	0.329	S	S	.	.	H	α-helix	trans	-68.3	-47.6	167.4	-71.7	162.7	0	0	0	110.9	L477 L478 I479 L483 S484	L477-I481 HydrophobicContact CD1-CD1 4.41Å; L477-I481 HydrophobicContact CD1-CG1 4.46Å; L477-I481 HydrophobicContact CG-CD1 4.2Å; L477-I481 VanDerWaalsContact O-CG1 3.3Å; L477-I481 WeakPolarHBondContact O-CG1 3.43Å; L477-I481 PolarHBondContact O-N 2.85Å; L478-I481 PolarHBondContact O-N 3.33Å; I479-I481 VanDerWaalsContact C-N 3.29Å; I479-I481 PolarHBondContact O-N 2.99Å; I481-L483 PolarHBondContact O-N 3.46Å; I481-S484 WeakPolarHBondContact O-CB 3.42Å; I481-S484 PolarHBondContact O-N 2.84Å; I481-S484 PolarHBondContact O-OG 3.4Å
482	E	94.3	Very high	93.9	Very high	36 Å²	36	68.7 Å²	68.7	17%	0.168	35%	0.35	C	S	.	.	H	α-helix	trans	-61.6	-26.3	174.5	-66.1	-82.9	-163.4	0	0	112.1	I417 L478 I479 V664 S667	I417-E482 HydrophobicContact CG2-CB 4.11Å; L478-E482 PolarHBondContact O-N 3.34Å; L478-E482 VanDerWaalsContact O-N 3.17Å; I479-E482 PolarHBondContact O-N 3.3Å; E482-V664 HydrophobicContact CB-CG1 4.4Å; E482-V664 HydrophobicContact CG-CG1 4.25Å; E482-S667 VanDerWaalsContact OE1-CB 3.31Å; E482-S667 WeakPolarHBondContact OE1-CB 3.35Å; E482-S667 PolarHBondContact OE1-OG 3.1Å
483	L	94.7	Very high	93.6	Very high	25 Å²	25	67.8 Å²	67.8	13%	0.131	35%	0.346	C	S	.	.	H	α-helix	trans	-79.7	-21.5	171	-71	170.5	0	0	0	114.3	K414 I417 I418 I479 D480 I481	K414-L483 HydrophobicContact CB-CD2 3.93Å; K414-L483 WeakPolarHBondContact CE-O 3.43Å; K414-L483 HydrophobicContact CG-CD2 4.05Å; K414-L483 PolarHBondContact NZ-O 3.39Å; K414-L483 WeakPolarHBondContact O-CD2 3.39Å; I417-L483 HydrophobicContact CB-CD2 3.64Å; I417-L483 HydrophobicContact CB-CG 4.3Å; I417-L483 HydrophobicContact CG2-CD2 3.58Å; I417-L483 HydrophobicContact CG2-CG 3.66Å; I418-L483 HydrophobicContact CG1-CD1 3.71Å; I418-L483 HydrophobicContact CG1-CD2 3.96Å; I479-L483 HydrophobicContact CG2-CD1 4.44Å; I479-L483 WeakPolarHBondContact O-CG 3.4Å; I479-L483 PolarHBondContact O-N 2.84Å; D480-L483 PolarHBondContact O-N 3.37Å; I481-L483 PolarHBondContact O-N 3.46Å
484	S	94.9	Very high	92.8	Very high	84 Å²	84	63.7 Å²	63.7	59%	0.587	32%	0.324	S	S	*	.	H	α-helix	trans	-73.2	-36.3	-174.4	74.3	0	0	0	0	113	D480 I481	D480-S484 PolarHBondContact O-N 2.95Å; I481-S484 WeakPolarHBondContact O-CB 3.42Å; I481-S484 PolarHBondContact O-N 2.84Å; I481-S484 PolarHBondContact O-OG 3.4Å
485	Y	94.1	Very high	91.8	Very high	143 Å²	143	61.1 Å²	61.1	56%	0.561	32%	0.317	S	S	*	.			trans	-148.5	127.7	-174.7	179.9	-109.1	0	0	0	112.1	N487	Y485-N487 HydrophobicContact CD1-CB 4.18Å; Y485-N487 HydrophobicContact CE1-CB 3.76Å
486	I	93.2	Very high	90.5	Very high	20 Å²	20	63.8 Å²	63.8	10%	0.103	33%	0.329	C	S	.	.			trans	-97.3	108.3	176.7	-62.6	177.1	0	0	0	108.8	F409 E410 V413 K414 T488 Y660	F409-I486 HydrophobicContact CE1-CG2 3.73Å; F409-I486 HydrophobicContact CZ-CG2 4.02Å; E410-I486 HydrophobicContact CB-CD1 3.97Å; E410-I486 HydrophobicContact CG-CD1 3.82Å; V413-I486 HydrophobicContact CB-CD1 3.92Å; V413-I486 HydrophobicContact CG1-CD1 3.68Å; V413-I486 HydrophobicContact CG1-CG1 4.17Å; K414-I486 HydrophobicContact CG-CD1 4.3Å; I486-T488 HydrophobicContact CG2-CG2 4.31Å; I486-T488 PolarHBondContact O-N 2.87Å; I486-T488 VanDerWaalsContact O-N 3.13Å; I486-Y660 WeakPolarHBondContact CA-OH 3.42Å; I486-Y660 HydrophobicContact CG2-CD1 4.37Å; I486-Y660 HydrophobicContact CG2-CD2 3.96Å; I486-Y660 HydrophobicContact CG2-CE1 4.07Å; I486-Y660 HydrophobicContact CG2-CE2 3.64Å; I486-Y660 HydrophobicContact CG2-CG 4.32Å
487	N	92.1	Very high	88.9	Confident	56 Å²	56	64.6 Å²	64.6	30%	0.299	34%	0.343	S	S	.	.			trans	-84.1	86.1	-176.6	-175.1	8.7	0	0	0	112.1	Y485 N489 H490 Y660	Y485-N487 HydrophobicContact CD1-CB 4.18Å; Y485-N487 HydrophobicContact CE1-CB 3.76Å; N487-N489 PolarHBondContact O-N 2.67Å; N487-N489 VanDerWaalsContact O-N 3.13Å; N487-N489 WeakPolarHBondContact OD1-CB 3.49Å; N487-N489 PolarHBondContact OD1-N 3.47Å; N487-N489 VanDerWaalsContact OD1-N 3.08Å; N487-H490 WeakPolarHBondContact O-CB 3.48Å; N487-H490 PolarHBondContact O-N 2.71Å; N487-Y660 PolarHBondContact N-OH 2.84Å
488	T	89.7	Confident	87.5	Confident	56 Å²	56	64.3 Å²	64.3	34%	0.344	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-2.5	175.2	54.1	0	0	0	0	114.5	F409 I486 F493 F496	F409-T488 HydrophobicContact CE1-CG2 3.95Å; I486-T488 HydrophobicContact CG2-CG2 4.31Å; I486-T488 PolarHBondContact O-N 2.87Å; I486-T488 VanDerWaalsContact O-N 3.13Å; T488-F493 HydrophobicContact CG2-CE1 4.07Å; T488-F493 HydrophobicContact CG2-CZ 4.45Å; T488-F493 WeakPolarHBondContact O-CD1 3.32Å; T488-F496 HydrophobicContact CG2-CE2 4.31Å
489	N	90.3	Very high	85.9	Confident	130 Å²	130	62.9 Å²	62.9	70%	0.695	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	6	174.9	-56.7	-50	0	0	0	113.2	N487	N487-N489 PolarHBondContact O-N 2.67Å; N487-N489 VanDerWaalsContact O-N 3.13Å; N487-N489 WeakPolarHBondContact OD1-CB 3.49Å; N487-N489 PolarHBondContact OD1-N 3.47Å; N487-N489 VanDerWaalsContact OD1-N 3.08Å
490	H	91	Very high	84.3	Confident	68 Å²	68	67.3 Å²	67.3	32%	0.315	36%	0.355	S	S	.	.			trans	-65.6	136.6	178.8	-174.7	-78.1	0	0	0	111.9	N487 D492 F493 I663	N487-H490 WeakPolarHBondContact O-CB 3.48Å; N487-H490 PolarHBondContact O-N 2.71Å; H490-D492 IonicContact CE1-OD2 2.78Å; H490-D492 PolarHBondContact CE1-OD2 3.28Å; H490-D492 PolarHBondContact ND1-N 2.66Å; H490-D492 VanDerWaalsContact ND1-N 3.2Å; H490-D492 PolarHBondContact O-N 2.82Å; H490-F493 HydrophobicContact CB-CB 4.33Å; H490-F493 VanDerWaalsContact O-CB 3.23Å; H490-F493 WeakPolarHBondContact O-CB 3.32Å; H490-F493 PolarHBondContact O-N 3.31Å; H490-I663 HydrophobicContact CB-CD1 4.44Å
491	E	88.9	Confident	82.4	Confident	196 Å²	196	70.1 Å²	70.1	92%	0.916	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-40.2	-170.9	-60.4	-176.5	169.5	0	0	114.3	F493	E491-F493 PolarHBondContact O-N 3.43Å
492	D	85.9	Confident	80.5	Confident	84 Å²	84	71.9 Å²	71.9	45%	0.449	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-8.1	175.1	-69.1	-44.2	0	0	0	114.2	H490 I663 K666	H490-D492 IonicContact CE1-OD2 2.78Å; H490-D492 PolarHBondContact CE1-OD2 3.28Å; H490-D492 PolarHBondContact ND1-N 2.66Å; H490-D492 VanDerWaalsContact ND1-N 3.2Å; H490-D492 PolarHBondContact O-N 2.82Å; D492-I663 HydrophobicContact CB-CD1 3.98Å; D492-I663 HydrophobicContact CB-CG1 3.86Å; D492-K666 IonicContact OD1-NZ 3.16Å; D492-K666 IonicContact OD2-NZ 2.7Å; D492-K666 PolarHBondContact OD2-NZ 2.97Å
493	F	89.8	Confident	78.5	Confident	18 Å²	18	72.1 Å²	72.1	8%	0.079	37%	0.371	C	S	.	.			trans	-82	126.4	-175.3	-176.5	-115.1	0	0	0	111	F409 T488 H490 E491 G495 L656 Y660 I663	F409-F493 HydrophobicContact CE1-CZ 4.24Å; F409-F493 HydrophobicContact CE2-CE2 4.23Å; F409-F493 HydrophobicContact CE2-CZ 4.25Å; F409-F493 AromaticContact CZ-CE2 3.85Å; F409-F493 HydrophobicContact CZ-CE2 3.85Å; F409-F493 AromaticContact CZ-CZ 3.68Å; F409-F493 HydrophobicContact CZ-CZ 3.68Å; T488-F493 HydrophobicContact CG2-CE1 4.07Å; T488-F493 HydrophobicContact CG2-CZ 4.45Å; T488-F493 WeakPolarHBondContact O-CD1 3.32Å; H490-F493 HydrophobicContact CB-CB 4.33Å; H490-F493 VanDerWaalsContact O-CB 3.23Å; H490-F493 WeakPolarHBondContact O-CB 3.32Å; H490-F493 PolarHBondContact O-N 3.31Å; E491-F493 PolarHBondContact O-N 3.43Å; F493-G495 PolarHBondContact O-N 3.05Å; F493-G495 VanDerWaalsContact O-N 3.15Å; F493-L656 HydrophobicContact CE1-CD2 4.16Å; F493-L656 HydrophobicContact CE2-CB 4.49Å; F493-L656 HydrophobicContact CE2-CD2 4.09Å; F493-L656 HydrophobicContact CZ-CB 4.36Å; F493-L656 HydrophobicContact CZ-CD2 3.52Å; F493-Y660 HydrophobicContact CD2-CD2 4.08Å; F493-Y660 HydrophobicContact CE2-CD2 4.2Å; F493-I663 HydrophobicContact CB-CD1 3.8Å; F493-I663 HydrophobicContact CD2-CD1 4.38Å
494	I	80.6	Confident	76.1	Confident	19 Å²	19	74.5 Å²	74.5	10%	0.097	39%	0.393	C	S	.	.			trans	-64	-26.4	-172.6	63.7	177.3	0	0	0	113.9	N498 A499 N655 L656 S659	I494-N498 VanDerWaalsContact O-CB 3.31Å; I494-N498 WeakPolarHBondContact O-CB 3.36Å; I494-N498 PolarHBondContact O-ND2 2.85Å; I494-A499 HydrophobicContact CD1-CB 3.82Å; I494-A499 HydrophobicContact CG1-CB 4.46Å; I494-N655 HydrophobicContact CD1-CB 4.28Å; I494-N655 WeakPolarHBondContact CD1-O 3.34Å; I494-L656 HydrophobicContact CD1-CD2 4.43Å; I494-L656 HydrophobicContact CG1-CD2 4.07Å; I494-S659 PolarHBondContact N-OG 2.94Å
495	G	75.5	Confident	73.7	Confident	19 Å²	19	73.1 Å²	73.1	20%	0.196	39%	0.388	C	S	.	.	H	α-helix	trans	71.3	154.2	-174.9	0	0	0	0	0	114.2	F493 A497 N498 A499	F493-G495 PolarHBondContact O-N 3.05Å; F493-G495 VanDerWaalsContact O-N 3.15Å; G495-A497 VanDerWaalsContact C-N 3.3Å; G495-A497 PolarHBondContact O-N 2.83Å; G495-N498 PolarHBondContact O-N 2.97Å; G495-A499 PolarHBondContact O-N 3.12Å
496	F	69.6	Low	71.2	Confident	57 Å²	57	72 Å²	72	25%	0.25	39%	0.391	C	S	.	.	H	α-helix	trans	-57.5	-37.8	-172.6	-66.5	-95.7	0	0	0	113.7	P405 D406 F409 T488 Q500 L656	P405-F496 HydrophobicContact CB-CD1 4.14Å; P405-F496 HydrophobicContact CB-CE1 3.88Å; D406-F496 VanDerWaalsContact OD1-CE1 3.29Å; D406-F496 WeakPolarHBondContact OD1-CE1 3.45Å; D406-F496 WeakPolarHBondContact OD1-CZ 3.25Å; F409-F496 HydrophobicContact CD1-CZ 4.2Å; T488-F496 HydrophobicContact CG2-CE2 4.31Å; F496-Q500 PolarHBondContact O-N 2.62Å; F496-L656 HydrophobicContact CD1-CD1 3.42Å; F496-L656 VanDerWaalsContact CD1-CD1 3.42Å; F496-L656 HydrophobicContact CE1-CD1 3.61Å; F496-L656 HydrophobicContact CG-CD1 4.12Å; F496-L656 HydrophobicContact CG-CD2 4.45Å; F496-L656 HydrophobicContact CZ-CD1 4.43Å
497	A	63.5	Low	68.7	Low	66 Å²	66	75.3 Å²	75.3	55%	0.545	42%	0.421	S	S	.	.	H	α-helix	trans	-64.4	-44.3	179.8	0	0	0	0	0	112.8	G495 Q500 Q501	G495-A497 VanDerWaalsContact C-N 3.3Å; G495-A497 PolarHBondContact O-N 2.83Å; A497-Q500 PolarHBondContact O-N 3.34Å; A497-Q501 PolarHBondContact O-N 2.93Å
498	N	66.1	Low	66.1	Low	82 Å²	82	77.8 Å²	77.8	44%	0.439	44%	0.438	S	S	.	.	H	α-helix	trans	-77.5	-27	-177.9	-58.2	-50.2	0	0	0	112.2	I494 G495 Q501 R502	I494-N498 VanDerWaalsContact O-CB 3.31Å; I494-N498 WeakPolarHBondContact O-CB 3.36Å; I494-N498 PolarHBondContact O-ND2 2.85Å; G495-N498 PolarHBondContact O-N 2.97Å; N498-Q501 PolarHBondContact O-N 2.72Å; N498-R502 WeakPolarHBondContact O-CG 3.21Å; N498-R502 PolarHBondContact O-N 3.45Å
499	A	63.1	Low	63.6	Low	0 Å²	0	85 Å²	85	0%	0	47%	0.465	C	S	.	.	H	α-helix	trans	-61.1	-43.4	171.7	0	0	0	0	0	112	I494 G495 Q501 R502 T503 T652 N655 L656	I494-A499 HydrophobicContact CD1-CB 3.82Å; I494-A499 HydrophobicContact CG1-CB 4.46Å; G495-A499 PolarHBondContact O-N 3.12Å; A499-Q501 VanDerWaalsContact C-N 3.32Å; A499-Q501 PolarHBondContact O-N 2.95Å; A499-R502 PolarHBondContact O-N 3.29Å; A499-T503 PolarHBondContact O-N 3.42Å; A499-T503 VanDerWaalsContact O-N 3.12Å; A499-T503 PolarHBondContact O-OG1 3.41Å; A499-T652 HydrophobicContact CB-CG2 4.09Å; A499-N655 HydrophobicContact CB-CB 4.39Å; A499-L656 HydrophobicContact CB-CD1 4.31Å; A499-L656 HydrophobicContact CB-CD2 3.89Å; A499-L656 HydrophobicContact CB-CG 3.8Å
500	Q	60.3	Low	61	Low	95 Å²	95	88.2 Å²	88.2	44%	0.444	47%	0.473	S	S	.	.	H	α-helix	trans	-64.9	-34.9	174.5	-67	-176.8	5.1	0	0	112.5	F496 A497 T652	F496-Q500 PolarHBondContact O-N 2.62Å; A497-Q500 PolarHBondContact O-N 3.34Å; Q500-T652 HydrophobicContact CG-CG2 3.8Å
501	Q	56.6	Low	58.3	Low	128 Å²	128	96.7 Å²	96.7	60%	0.598	50%	0.502	S	S	*	.	H	α-helix	trans	-71.5	-40.7	174.8	-69.1	-176.6	5	0	0	112.8	A497 N498 A499 T503 A504 A505	A497-Q501 PolarHBondContact O-N 2.93Å; N498-Q501 PolarHBondContact O-N 2.72Å; A499-Q501 VanDerWaalsContact C-N 3.32Å; A499-Q501 PolarHBondContact O-N 2.95Å; Q501-T503 VanDerWaalsContact C-N 3.26Å; Q501-T503 PolarHBondContact O-N 3.15Å; Q501-A504 CarbonylContact O-C 3.49Å; Q501-A504 PolarHBondContact O-N 3.22Å; Q501-A505 WeakPolarHBondContact O-CB 3.29Å; Q501-A505 PolarHBondContact O-N 3.24Å
502	R	56.6	Low	55.6	Low	128 Å²	128	92.8 Å²	92.8	48%	0.483	49%	0.491	S	S	.	.	H	α-helix	trans	-59.5	-38.1	174.4	-76.1	-177.9	-178.4	-163.2	3.1	112	N498 A499 A504 A505 N506	N498-R502 WeakPolarHBondContact O-CG 3.21Å; N498-R502 PolarHBondContact O-N 3.45Å; A499-R502 PolarHBondContact O-N 3.29Å; R502-A504 PolarHBondContact O-N 3.34Å; R502-A505 PolarHBondContact O-N 2.9Å; R502-A505 VanDerWaalsContact O-N 3.1Å; R502-N506 VanDerWaalsContact O-CG 3.29Å; R502-N506 PolarHBondContact O-N 3.43Å; R502-N506 PolarHBondContact O-OD1 2.78Å
503	T	52.6	Low	53.2	Low	41 Å²	41	96 Å²	96	25%	0.252	51%	0.505	S	S	.	.	H	α-helix	trans	-58	-32	174.2	-51.1	0	0	0	0	112.2	A499 Q501 E651	A499-T503 PolarHBondContact O-N 3.42Å; A499-T503 VanDerWaalsContact O-N 3.12Å; A499-T503 PolarHBondContact O-OG1 3.41Å; Q501-T503 VanDerWaalsContact C-N 3.26Å; Q501-T503 PolarHBondContact O-N 3.15Å; T503-E651 HydrophobicContact CG2-CG 4.3Å
504	A	44.4	Very low	50.8	Low	74 Å²	74	100.1 Å²	100.1	61%	0.612	53%	0.534	S	S	*	.	H	α-helix	trans	-86.8	-30.9	173.3	0	0	0	0	0	113.7	Q501 R502	Q501-A504 CarbonylContact O-C 3.49Å; Q501-A504 PolarHBondContact O-N 3.22Å; R502-A504 PolarHBondContact O-N 3.34Å
505	A	44	Very low	49.4	Very low	56 Å²	56	103.4 Å²	103.4	46%	0.463	55%	0.552	S	S	.	*	H	α-helix	trans	-80.3	-18.8	-176.9	0	0	0	0	0	114.3	Q501 R502 A507 T508	Q501-A505 WeakPolarHBondContact O-CB 3.29Å; Q501-A505 PolarHBondContact O-N 3.24Å; R502-A505 PolarHBondContact O-N 2.9Å; R502-A505 VanDerWaalsContact O-N 3.1Å; A505-A507 PolarHBondContact O-N 3.18Å; A505-T508 PolarHBondContact O-N 2.96Å
506	N	40.8	Very low	49.1	Very low	120 Å²	120	109.6 Å²	109.6	64%	0.642	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-9	177.6	-79.7	-9.8	0	0	0	114.1	R502 T508	R502-N506 VanDerWaalsContact O-CG 3.29Å; R502-N506 PolarHBondContact O-N 3.43Å; R502-N506 PolarHBondContact O-OD1 2.78Å; N506-T508 VanDerWaalsContact C-N 3.32Å
507	A	40.8	Very low	49.7	Very low	88 Å²	88	109.5 Å²	109.5	73%	0.727	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	-21.1	168.5	0	0	0	0	0	114.1	A505	A505-A507 PolarHBondContact O-N 3.18Å
508	T	38.6	Very low	50.6	Low	108 Å²	108	108.1 Å²	108.1	66%	0.663	56%	0.563	S	S	*	*	S	Bend	trans	-147.3	94.7	-168	23.1	0	0	0	0	115.7	A505 N506	A505-T508 PolarHBondContact O-N 2.96Å; N506-T508 VanDerWaalsContact C-N 3.32Å
509	K	36.9	Very low	51.8	Low	207 Å²	207	106.4 Å²	106.4	90%	0.9	55%	0.55	S	S	*	*			trans	78	133	157.9	-55.6	-177	178.2	-178.5	0	118.8
510	K	36.2	Very low	53.2	Low	198 Å²	198	112 Å²	112	86%	0.861	57%	0.571	S	S	*	*			trans	-81.1	169.8	166.2	-71.3	-178.1	178.1	176.2	0	111.9
511	R	33.6	Very low	54.8	Low	247 Å²	247	108.1 Å²	108.1	93%	0.932	56%	0.556	S	S	*	*			trans	-118.2	146.8	-177.4	-152	177	-172.1	-175.3	1.7	110.5
512	V	32.6	Very low	56.5	Low	113 Å²	113	107.5 Å²	107.5	69%	0.685	55%	0.548	S	S	*	.			trans	-93.9	149.9	-173.5	175.9	0	0	0	0	112	E544	V512-E544 WeakPolarHBondContact CG1-OE1 3.22Å
513	M	36	Very low	58.2	Low	152 Å²	152	101.5 Å²	101.5	75%	0.749	53%	0.526	S	S	*	.			trans	-134.3	154.6	169.1	-76.3	-153.4	73.4	0	0	110.2
514	P	37.9	Very low	60.1	Low	104 Å²	104	100.1 Å²	100.1	68%	0.675	52%	0.517	S	S	*	.			trans	-68.7	150.5	-161.7	25.9	-35.3	0	0	0	114.9	Q516	P514-Q516 VanDerWaalsContact C-N 3.29Å; P514-Q516 PolarHBondContact O-N 2.88Å
515	N	52.5	Low	62.3	Low	89 Å²	89	96.6 Å²	96.6	48%	0.476	49%	0.489	S	S	.	.			trans	-75.4	67.8	-168.5	-158.4	-32.9	0	0	0	113.2	T542 E544	N515-T542 WeakPolarHBondContact OD1-CB 3.34Å; N515-T542 WeakPolarHBondContact OD1-CG2 3.29Å; N515-T542 PolarHBondContact OD1-OG1 2.97Å; N515-E544 WeakPolarHBondContact CB-OE2 3.44Å; N515-E544 VanDerWaalsContact CG-OE2 3.23Å; N515-E544 PolarHBondContact ND2-OE2 2.99Å
516	Q	68.3	Low	64	Low	148 Å²	148	96.9 Å²	96.9	69%	0.692	48%	0.482	S	S	*	.			trans	-80.9	140.9	176.6	-173.1	172.7	-2	0	0	111.3	P514 T542 A543	P514-Q516 VanDerWaalsContact C-N 3.29Å; P514-Q516 PolarHBondContact O-N 2.88Å; Q516-T542 VanDerWaalsContact O-CA 3.26Å; Q516-T542 WeakPolarHBondContact O-CA 3.46Å; Q516-T542 WeakPolarHBondContact O-CB 3.05Å; Q516-A543 PolarHBondContact O-N 2.85Å
517	V	82.1	Confident	65.5	Low	55 Å²	55	91.9 Å²	91.9	33%	0.333	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	127.5	175.2	-175.1	0	0	0	0	110.2	R520 V540 T542	V517-R520 HydrophobicContact CG1-CG 4.21Å; V517-V540 HydrophobicContact CG1-CG1 3.74Å; V517-V540 HydrophobicContact CG2-CG1 4.23Å; V517-T542 HydrophobicContact CG2-CG2 4.16Å
518	I	82.8	Confident	66.5	Low	38 Å²	38	91.1 Å²	91.1	20%	0.195	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-31.9	-176	-64.6	175.4	0	0	0	111.9	L541 A543 R618 A619	I518-L541 HydrophobicContact CB-CG 4.38Å; I518-L541 HydrophobicContact CG2-CD2 4.41Å; I518-L541 PolarHBondContact N-O 2.89Å; I518-A543 HydrophobicContact CD1-CB 4.07Å; I518-R618 HydrophobicContact CG2-CB 3.92Å; I518-R618 PolarHBondContact O-NH2 2.8Å; I518-A619 HydrophobicContact CD1-CB 3.64Å
519	R	90.4	Very high	67.4	Low	46 Å²	46	93.8 Å²	93.8	17%	0.174	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	152.8	175	-179.3	163	178.3	148	1.1	111.8	L541 S611 W612 S615	R519-L541 HydrophobicContact CB-CB 4.44Å; R519-L541 PolarHBondContact N-O 2.93Å; R519-L541 PolarHBondContact O-N 3.25Å; R519-S611 PolarHBondContact NH1-O 3.16Å; R519-S611 VanDerWaalsContact NH1-O 3.14Å; R519-S611 PolarHBondContact NH1-OG 2.99Å; R519-W612 HydrophobicContact CB-CZ3 4.17Å; R519-W612 HydrophobicContact CG-CE3 4.16Å; R519-W612 HydrophobicContact CG-CH2 3.81Å; R519-W612 HydrophobicContact CG-CZ2 4.23Å; R519-W612 HydrophobicContact CG-CZ3 3.77Å; R519-S615 WeakPolarHBondContact CD-OG 3.4Å
520	R	93.2	Very high	68.1	Low	118 Å²	118	93.2 Å²	93.2	45%	0.445	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	160.8	159.6	-62.5	-174.9	164.7	83.1	-1.2	110.5	V517 W538 F539 V540 E554	V517-R520 HydrophobicContact CG1-CG 4.21Å; R520-W538 HydrophobicContact CB-CH2 4.15Å; R520-W538 HydrophobicContact CB-CZ2 3.6Å; R520-W538 HydrophobicContact CG-CZ2 4.34Å; R520-F539 CarbonylContact C-O 3.58Å; R520-F539 VanDerWaalsContact CA-O 3.26Å; R520-F539 WeakPolarHBondContact CA-O 3.46Å; R520-V540 HydrophobicContact CG-CG1 4.32Å; R520-V540 HydrophobicContact CG-CG2 4.2Å; R520-E554 WeakPolarHBondContact CD-OE1 3.31Å; R520-E554 IonicContact CZ-OE1 2.61Å; R520-E554 IonicContact NE-OE1 3.76Å; R520-E554 PolarHBondContact NE-OE1 3.31Å; R520-E554 IonicContact NE-OE2 3.21Å; R520-E554 IonicContact NH2-OE1 3.39Å; R520-E554 IonicContact NH2-OE2 3.42Å
521	G	93.3	Very high	69.1	Low	12 Å²	12	88.4 Å²	88.4	12%	0.124	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.3	169.3	170.7	0	0	0	0	0	113	W538 F539	G521-W538 VanDerWaalsContact C-CE3 3.41Å; G521-W538 VanDerWaalsContact CA-CZ3 3.42Å; G521-F539 PolarHBondContact N-O 3.48Å; G521-F539 VanDerWaalsContact N-O 3.09Å; G521-F539 PolarHBondContact O-N 2.74Å
522	W	93.4	Very high	70.2	Confident	115 Å²	115	78.7 Å²	78.7	44%	0.436	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	143.4	171.3	-69.4	95.8	0	0	0	111.7	D536 W538 E552	W522-D536 HydrophobicContact CE3-CB 4.12Å; W522-D536 HydrophobicContact CZ3-CB 4.36Å; W522-W538 AromaticContact CD1-CE3 3.68Å; W522-W538 AromaticContact CD1-CZ3 3.68Å; W522-W538 HydrophobicContact CD2-CE3 4.16Å; W522-W538 AromaticContact CE2-CE3 3.95Å; W522-W538 AromaticContact CG-CE3 4Å; W522-W538 HydrophobicContact CG-CE3 4Å; W522-W538 HydrophobicContact CG-CZ3 4.36Å; W522-W538 AromaticContact NE1-CE3 3.61Å; W522-W538 AromaticContact NE1-CZ3 3.76Å; W522-E552 HydrophobicContact CZ2-CG 3.94Å; W522-E552 PolarHBondContact NE1-OE1 3.33Å
523	L	93.2	Very high	72	Confident	3 Å²	3	74.2 Å²	74.2	2%	0.016	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	144.9	165.1	-73	170.4	0	0	0	109.3	Y537 F539 F582 L601 C603 W612	L523-Y537 PolarHBondContact N-O 2.8Å; L523-Y537 VanDerWaalsContact N-O 3.15Å; L523-Y537 PolarHBondContact O-N 3.35Å; L523-F539 HydrophobicContact CB-CD2 3.59Å; L523-F539 HydrophobicContact CB-CE2 3.67Å; L523-F539 HydrophobicContact CB-CG 4.34Å; L523-F539 HydrophobicContact CB-CZ 4.48Å; L523-F539 HydrophobicContact CD1-CB 4.34Å; L523-F539 HydrophobicContact CD1-CD1 4.35Å; L523-F539 HydrophobicContact CD1-CD2 4.1Å; L523-F539 HydrophobicContact CD1-CE2 4.44Å; L523-F539 HydrophobicContact CD1-CG 4.02Å; L523-F539 HydrophobicContact CG-CD2 4.23Å; L523-F582 HydrophobicContact CD2-CE1 4.49Å; L523-L601 HydrophobicContact CD1-CB 4.44Å; L523-L601 HydrophobicContact CD1-CD1 4.15Å; L523-C603 WeakPolarHBondContact CD2-SG 3.26Å; L523-W612 HydrophobicContact CD1-CD2 3.9Å; L523-W612 HydrophobicContact CD1-CE3 4.1Å; L523-W612 HydrophobicContact CD1-CG 4.45Å; L523-W612 HydrophobicContact CD1-CH2 4.14Å; L523-W612 HydrophobicContact CD1-CZ2 3.91Å; L523-W612 HydrophobicContact CD1-CZ3 4.23Å; L523-W612 HydrophobicContact CD2-CD2 4.24Å; L523-W612 HydrophobicContact CD2-CG 4.11Å; L523-W612 HydrophobicContact CD2-CZ2 4.48Å; L523-W612 HydrophobicContact CG-CD2 4.24Å; L523-W612 HydrophobicContact CG-CZ2 3.83Å
524	T	91.4	Very high	74	Confident	11 Å²	11	70.2 Å²	70.2	7%	0.067	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	123.1	168.9	-47.1	0	0	0	0	109.2	D536 K579 L601 A602	T524-D536 WeakPolarHBondContact CA-OD1 3.45Å; T524-D536 WeakPolarHBondContact CB-OD1 3.29Å; T524-D536 WeakPolarHBondContact CG2-OD1 3.47Å; T524-D536 PolarHBondContact OG1-OD1 2.73Å; T524-K579 WeakPolarHBondContact OG1-CE 3.45Å; T524-K579 PolarHBondContact OG1-NZ 3.15Å; T524-L601 CarbonylContact O-C 3.53Å; T524-L601 WeakPolarHBondContact O-CA 3.22Å; T524-A602 PolarHBondContact N-O 3.42Å; T524-A602 PolarHBondContact O-N 2.85Å
525	I	89.9	Confident	76.4	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	118.6	162.7	-55.2	178	0	0	0	107.5	I527 S534 K535 Y537 F539 W548 E600 L601	I525-I527 HydrophobicContact CG2-CD1 4.07Å; I525-I527 HydrophobicContact CG2-CG1 3.71Å; I525-S534 VanDerWaalsContact O-CA 3.26Å; I525-S534 WeakPolarHBondContact O-CA 3.39Å; I525-K535 PolarHBondContact N-O 3.06Å; I525-K535 PolarHBondContact O-N 2.76Å; I525-Y537 HydrophobicContact CB-CD2 4.48Å; I525-Y537 HydrophobicContact CD1-CD2 3.56Å; I525-Y537 HydrophobicContact CD1-CE2 3.86Å; I525-Y537 HydrophobicContact CG1-CD2 3.88Å; I525-Y537 HydrophobicContact CG1-CE2 4.37Å; I525-F539 HydrophobicContact CD1-CE2 4.34Å; I525-F539 HydrophobicContact CD1-CZ 3.76Å; I525-F539 HydrophobicContact CG1-CE2 4.01Å; I525-F539 HydrophobicContact CG1-CZ 3.64Å; I525-W548 HydrophobicContact CD1-CD2 4.22Å; I525-W548 VanDerWaalsContact CD1-CE2 3.49Å; I525-W548 HydrophobicContact CD1-CG 4.48Å; I525-W548 HydrophobicContact CD1-CZ2 3.66Å; I525-E600 WeakPolarHBondContact CA-O 3.47Å; I525-L601 HydrophobicContact CG1-CD2 3.92Å
526	N	80.3	Confident	78.2	Confident	61 Å²	61	70.1 Å²	70.1	33%	0.326	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	125.1	169.6	-173.5	29.6	0	0	0	109.3	S534 E600	N526-S534 PolarHBondContact OD1-OG 3.02Å; N526-E600 HydrophobicContact CB-CB 3.81Å; N526-E600 PolarHBondContact N-O 3.38Å; N526-E600 PolarHBondContact ND2-OE2 2.73Å
527	I	72.9	Confident	79.4	Confident	16 Å²	16	64.8 Å²	64.8	8%	0.082	34%	0.338	C	S	.	.			trans	-133.3	135.1	176.8	-53.4	-178.2	0	0	0	107.3	I525 K531 G533 Y593	I525-I527 HydrophobicContact CG2-CD1 4.07Å; I525-I527 HydrophobicContact CG2-CG1 3.71Å; I527-K531 HydrophobicContact CG2-CB 3.66Å; I527-G533 CarbonylContact O-C 3.6Å; I527-G533 VanDerWaalsContact O-CA 3.29Å; I527-G533 WeakPolarHBondContact O-CA 3.39Å; I527-Y593 HydrophobicContact CD1-CE1 4.1Å
528	S	62	Low	80	Confident	72 Å²	72	63.8 Å²	63.8	50%	0.503	33%	0.329	S	S	.	.			trans	-51.2	144.2	-179.2	63.3	0	0	0	0	112.4	M530 K531 G532	S528-M530 PolarHBondContact O-N 2.85Å; S528-M530 VanDerWaalsContact O-N 3.12Å; S528-K531 WeakPolarHBondContact O-CA 3.45Å; S528-K531 PolarHBondContact O-N 3.29Å; S528-G532 PolarHBondContact O-N 2.84Å
529	I	56.3	Low	80.7	Confident	164 Å²	164	62 Å²	62	84%	0.841	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-54.2	-40.2	-169.9	-60.6	173.1	0	0	0	111.5	K531 G532	I529-K531 PolarHBondContact O-N 3.29Å; I529-K531 VanDerWaalsContact O-N 3.16Å; I529-G532 PolarHBondContact O-N 3.19Å
530	M	52.1	Low	80.9	Confident	194 Å²	194	60 Å²	60	96%	0.956	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-65.4	-12.7	177.1	-66.1	180	172.8	0	0	115.1	S528	S528-M530 PolarHBondContact O-N 2.85Å; S528-M530 VanDerWaalsContact O-N 3.12Å
531	K	56.5	Low	80.9	Confident	97 Å²	97	54.4 Å²	54.4	42%	0.422	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-114.5	7.5	-178.8	-75	-174.5	172.2	-173.8	0	114.2	I527 S528 I529 D595 L596	I527-K531 HydrophobicContact CG2-CB 3.66Å; S528-K531 WeakPolarHBondContact O-CA 3.45Å; S528-K531 PolarHBondContact O-N 3.29Å; I529-K531 PolarHBondContact O-N 3.29Å; I529-K531 VanDerWaalsContact O-N 3.16Å; K531-D595 IonicContact NZ-OD1 2.69Å; K531-D595 PolarHBondContact NZ-OD1 2.93Å; K531-D595 IonicContact NZ-OD2 3.11Å; K531-D595 PolarHBondContact NZ-OD2 3.3Å; K531-L596 HydrophobicContact CD-CD2 4.35Å
532	G	58	Low	80.7	Confident	44 Å²	44	54.3 Å²	54.3	45%	0.454	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	119.3	5.3	168.6	0	0	0	0	0	116.7	S528 I529 K535	S528-G532 PolarHBondContact O-N 2.84Å; I529-G532 PolarHBondContact O-N 3.19Å; G532-K535 VanDerWaalsContact O-CE 3.22Å; G532-K535 WeakPolarHBondContact O-CE 3.48Å
533	G	68.6	Low	80	Confident	19 Å²	19	51 Å²	51	20%	0.196	29%	0.286	C	S	.	.			trans	73.8	172.6	172.4	0	0	0	0	0	115.5	I527	I527-G533 CarbonylContact O-C 3.6Å; I527-G533 VanDerWaalsContact O-CA 3.29Å; I527-G533 WeakPolarHBondContact O-CA 3.39Å
534	S	79.8	Confident	79.6	Confident	68 Å²	68	54.6 Å²	54.6	48%	0.476	30%	0.302	S	S	.	.			trans	-63.2	137.6	176.5	-53.2	0	0	0	0	112.3	I525 N526	I525-S534 VanDerWaalsContact O-CA 3.26Å; I525-S534 WeakPolarHBondContact O-CA 3.39Å; N526-S534 PolarHBondContact OD1-OG 3.02Å
535	K	86.8	Confident	79.6	Confident	104 Å²	104	54.4 Å²	54.4	45%	0.452	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	136.2	178.6	-65.8	-173.1	-178	179.8	0	112.3	I525 G532 Y537	I525-K535 PolarHBondContact N-O 3.06Å; I525-K535 PolarHBondContact O-N 2.76Å; G532-K535 VanDerWaalsContact O-CE 3.22Å; G532-K535 WeakPolarHBondContact O-CE 3.48Å; K535-Y537 HydrophobicContact CB-CD2 4.43Å; K535-Y537 HydrophobicContact CB-CE2 3.72Å
536	D	90.6	Very high	79.8	Confident	87 Å²	87	54.3 Å²	54.3	47%	0.465	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	139	174.2	-57.7	-43.3	0	0	0	110.9	W522 T524 K579	W522-D536 HydrophobicContact CE3-CB 4.12Å; W522-D536 HydrophobicContact CZ3-CB 4.36Å; T524-D536 WeakPolarHBondContact CA-OD1 3.45Å; T524-D536 WeakPolarHBondContact CB-OD1 3.29Å; T524-D536 WeakPolarHBondContact CG2-OD1 3.47Å; T524-D536 PolarHBondContact OG1-OD1 2.73Å; D536-K579 IonicContact OD1-NZ 2.71Å
537	Y	93.9	Very high	80.5	Confident	35 Å²	35	51.6 Å²	51.6	14%	0.137	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.3	175.8	-67.4	-72.4	0	0	0	110.2	L523 I525 K535 F539 W548 Y549 K558	L523-Y537 PolarHBondContact N-O 2.8Å; L523-Y537 VanDerWaalsContact N-O 3.15Å; L523-Y537 PolarHBondContact O-N 3.35Å; I525-Y537 HydrophobicContact CB-CD2 4.48Å; I525-Y537 HydrophobicContact CD1-CD2 3.56Å; I525-Y537 HydrophobicContact CD1-CE2 3.86Å; I525-Y537 HydrophobicContact CG1-CD2 3.88Å; I525-Y537 HydrophobicContact CG1-CE2 4.37Å; K535-Y537 HydrophobicContact CB-CD2 4.43Å; K535-Y537 HydrophobicContact CB-CE2 3.72Å; Y537-F539 WeakPolarHBondContact O-CD2 3.45Å; Y537-W548 AromaticContact CD2-CD1 3.9Å; Y537-W548 AromaticContact CG-CD1 3.66Å; Y537-Y549 WeakPolarHBondContact CB-O 3.43Å; Y537-Y549 WeakPolarHBondContact CD1-O 3.31Å; Y537-K558 HydrophobicContact CD1-CG 4.19Å; Y537-K558 HydrophobicContact CE1-CG 3.96Å
538	W	95.4	Very high	81.5	Confident	34 Å²	34	50.9 Å²	50.9	13%	0.129	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	117.8	170.7	-178.7	-113.5	0	0	0	109.4	R520 G521 W522 W548 Y549 E552 E554	R520-W538 HydrophobicContact CB-CH2 4.15Å; R520-W538 HydrophobicContact CB-CZ2 3.6Å; R520-W538 HydrophobicContact CG-CZ2 4.34Å; G521-W538 VanDerWaalsContact C-CE3 3.41Å; G521-W538 VanDerWaalsContact CA-CZ3 3.42Å; W522-W538 AromaticContact CD1-CE3 3.68Å; W522-W538 AromaticContact CD1-CZ3 3.68Å; W522-W538 HydrophobicContact CD2-CE3 4.16Å; W522-W538 AromaticContact CE2-CE3 3.95Å; W522-W538 AromaticContact CG-CE3 4Å; W522-W538 HydrophobicContact CG-CE3 4Å; W522-W538 HydrophobicContact CG-CZ3 4.36Å; W522-W538 AromaticContact NE1-CE3 3.61Å; W522-W538 AromaticContact NE1-CZ3 3.76Å; W538-W548 CarbonylContact O-C 3.39Å; W538-W548 VanDerWaalsContact O-CA 3.24Å; W538-W548 WeakPolarHBondContact O-CA 3.34Å; W538-Y549 PolarHBondContact N-O 2.68Å; W538-Y549 PolarHBondContact O-N 2.73Å; W538-E552 HydrophobicContact CD2-CB 4.41Å; W538-E552 HydrophobicContact CD2-CG 3.72Å; W538-E552 HydrophobicContact CE3-CG 3.57Å; W538-E552 HydrophobicContact CG-CG 4.3Å; W538-E552 HydrophobicContact CH2-CG 4.01Å; W538-E552 HydrophobicContact CZ2-CG 4.17Å; W538-E552 HydrophobicContact CZ3-CG 3.71Å; W538-E554 PolarHBondContact NE1-OE1 3.05Å; W538-E554 VanDerWaalsContact NE1-OE1 3.09Å
539	F	96.1	Very high	83	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	142.2	-178.5	-82.4	-101.1	0	0	0	111.9	R520 G521 L523 I525 Y537 L546 W548 L601 W612	R520-F539 CarbonylContact C-O 3.58Å; R520-F539 VanDerWaalsContact CA-O 3.26Å; R520-F539 WeakPolarHBondContact CA-O 3.46Å; G521-F539 PolarHBondContact N-O 3.48Å; G521-F539 VanDerWaalsContact N-O 3.09Å; G521-F539 PolarHBondContact O-N 2.74Å; L523-F539 HydrophobicContact CB-CD2 3.59Å; L523-F539 HydrophobicContact CB-CE2 3.67Å; L523-F539 HydrophobicContact CB-CG 4.34Å; L523-F539 HydrophobicContact CB-CZ 4.48Å; L523-F539 HydrophobicContact CD1-CB 4.34Å; L523-F539 HydrophobicContact CD1-CD1 4.35Å; L523-F539 HydrophobicContact CD1-CD2 4.1Å; L523-F539 HydrophobicContact CD1-CE2 4.44Å; L523-F539 HydrophobicContact CD1-CG 4.02Å; L523-F539 HydrophobicContact CG-CD2 4.23Å; I525-F539 HydrophobicContact CD1-CE2 4.34Å; I525-F539 HydrophobicContact CD1-CZ 3.76Å; I525-F539 HydrophobicContact CG1-CE2 4.01Å; I525-F539 HydrophobicContact CG1-CZ 3.64Å; Y537-F539 WeakPolarHBondContact O-CD2 3.45Å; F539-L546 HydrophobicContact CD1-CD1 3.66Å; F539-L546 HydrophobicContact CD1-CD2 3.91Å; F539-L546 HydrophobicContact CD1-CG 3.73Å; F539-L546 HydrophobicContact CE1-CD1 4.39Å; F539-L546 HydrophobicContact CE1-CD2 3.76Å; F539-L546 HydrophobicContact CE1-CG 4.02Å; F539-W548 HydrophobicContact CD1-CB 3.67Å; F539-W548 HydrophobicContact CD1-CD2 4.46Å; F539-W548 HydrophobicContact CD1-CE3 4.15Å; F539-W548 HydrophobicContact CD1-CG 4.35Å; F539-W548 HydrophobicContact CD2-CB 3.93Å; F539-W548 HydrophobicContact CE1-CB 3.72Å; F539-W548 AromaticContact CE1-CD2 3.72Å; F539-W548 HydrophobicContact CE1-CD2 3.72Å; F539-W548 AromaticContact CE1-CE3 3.45Å; F539-W548 HydrophobicContact CE1-CE3 3.45Å; F539-W548 VanDerWaalsContact CE1-CE3 3.45Å; F539-W548 AromaticContact CE1-CG 3.9Å; F539-W548 HydrophobicContact CE1-CG 3.9Å; F539-W548 HydrophobicContact CE1-CZ3 4.16Å; F539-W548 HydrophobicContact CE2-CB 3.97Å; F539-W548 HydrophobicContact CE2-CG 4.28Å; F539-W548 HydrophobicContact CG-CB 3.81Å; F539-W548 HydrophobicContact CZ-CB 3.88Å; F539-W548 AromaticContact CZ-CD2 3.9Å; F539-W548 HydrophobicContact CZ-CD2 3.9Å; F539-W548 HydrophobicContact CZ-CE3 4.08Å; F539-W548 AromaticContact CZ-CG 3.87Å; F539-W548 HydrophobicContact CZ-CG 3.87Å; F539-L601 HydrophobicContact CE1-CD2 4.11Å; F539-L601 HydrophobicContact CE2-CD2 4.35Å; F539-L601 HydrophobicContact CZ-CD2 3.63Å; F539-W612 HydrophobicContact CB-CH2 3.77Å; F539-W612 HydrophobicContact CB-CZ2 4.39Å; F539-W612 HydrophobicContact CB-CZ3 4.48Å
540	V	94.6	Very high	84.6	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.03	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	111.4	174.6	-175.2	0	0	0	0	107.9	V517 R520 S547 Y549 E554	V517-V540 HydrophobicContact CG1-CG1 3.74Å; V517-V540 HydrophobicContact CG2-CG1 4.23Å; R520-V540 HydrophobicContact CG-CG1 4.32Å; R520-V540 HydrophobicContact CG-CG2 4.2Å; V540-S547 PolarHBondContact N-O 3.02Å; V540-S547 PolarHBondContact O-N 3.3Å; V540-Y549 HydrophobicContact CB-CE2 3.97Å; V540-Y549 HydrophobicContact CG2-CD2 3.92Å; V540-Y549 HydrophobicContact CG2-CE2 3.47Å; V540-Y549 VanDerWaalsContact CG2-CE2 3.47Å; V540-E554 HydrophobicContact CG2-CG 4.26Å; V540-E554 WeakPolarHBondContact CG2-OE1 3.45Å
541	L	93.6	Very high	86.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	126.7	177.6	175.3	62.6	0	0	0	109.5	I518 R519 L546 L563 W612 S615 F616 A619	I518-L541 HydrophobicContact CB-CG 4.38Å; I518-L541 HydrophobicContact CG2-CD2 4.41Å; I518-L541 PolarHBondContact N-O 2.89Å; R519-L541 HydrophobicContact CB-CB 4.44Å; R519-L541 PolarHBondContact N-O 2.93Å; R519-L541 PolarHBondContact O-N 3.25Å; L541-L546 HydrophobicContact CB-CD1 4.01Å; L541-L546 HydrophobicContact CD1-CB 4.47Å; L541-L546 HydrophobicContact CD1-CD1 4.08Å; L541-L563 HydrophobicContact CD1-CD1 3.8Å; L541-L563 HydrophobicContact CD1-CD2 4.18Å; L541-W612 HydrophobicContact CB-CZ3 4.36Å; L541-S615 WeakPolarHBondContact CD2-O 3.48Å; L541-F616 HydrophobicContact CD1-CD1 3.93Å; L541-F616 HydrophobicContact CD1-CE1 3.76Å; L541-F616 HydrophobicContact CD2-CD1 3.96Å; L541-F616 HydrophobicContact CD2-CE1 4.17Å; L541-F616 HydrophobicContact CD2-CG 4.18Å; L541-A619 HydrophobicContact CD1-CB 3.87Å; L541-A619 HydrophobicContact CD2-CB 4.18Å; L541-A619 HydrophobicContact CG-CB 4.16Å
542	T	89.2	Confident	88	Confident	10 Å²	10	39.1 Å²	39.1	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	176	171.3	80.7	0	0	0	0	110.7	N515 Q516 V517 E544 S545 L563	N515-T542 WeakPolarHBondContact OD1-CB 3.34Å; N515-T542 WeakPolarHBondContact OD1-CG2 3.29Å; N515-T542 PolarHBondContact OD1-OG1 2.97Å; Q516-T542 VanDerWaalsContact O-CA 3.26Å; Q516-T542 WeakPolarHBondContact O-CA 3.46Å; Q516-T542 WeakPolarHBondContact O-CB 3.05Å; V517-T542 HydrophobicContact CG2-CG2 4.16Å; T542-E544 PolarHBondContact O-N 3.19Å; T542-E544 PolarHBondContact OG1-N 2.75Å; T542-S545 PolarHBondContact N-O 3.4Å; T542-S545 PolarHBondContact OG1-N 3.38Å; T542-S545 VanDerWaalsContact OG1-N 3.1Å; T542-S545 PolarHBondContact OG1-O 2.85Å; T542-S545 PolarHBondContact OG1-OG 3.04Å; T542-L563 WeakPolarHBondContact O-CD1 3.27Å
543	A	79.8	Confident	89.4	Confident	46 Å²	46	42.9 Å²	42.9	38%	0.38	22%	0.22	S	C	.	.	S	Bend	trans	-64.3	-13.4	173.9	0	0	0	0	0	114.5	Q516 I518	Q516-A543 PolarHBondContact O-N 2.85Å; I518-A543 HydrophobicContact CD1-CB 4.07Å
544	E	83.1	Confident	90.3	Very high	78 Å²	78	44.6 Å²	44.6	36%	0.364	22%	0.223	S	C	.	.	S	Bend	trans	-121	-24.7	-175.7	-59.5	-174.5	132.7	0	0	113.3	V512 N515 T542 L563	V512-E544 WeakPolarHBondContact CG1-OE1 3.22Å; N515-E544 WeakPolarHBondContact CB-OE2 3.44Å; N515-E544 VanDerWaalsContact CG-OE2 3.23Å; N515-E544 PolarHBondContact ND2-OE2 2.99Å; T542-E544 PolarHBondContact O-N 3.19Å; T542-E544 PolarHBondContact OG1-N 2.75Å; E544-L563 PolarHBondContact O-N 2.68Å
545	S	91.8	Very high	90.5	Very high	7 Å²	7	48.5 Å²	48.5	5%	0.049	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	150.6	-173.8	72.6	0	0	0	0	114.6	T542 L561	T542-S545 PolarHBondContact N-O 3.4Å; T542-S545 PolarHBondContact OG1-N 3.38Å; T542-S545 VanDerWaalsContact OG1-N 3.1Å; T542-S545 PolarHBondContact OG1-O 2.85Å; T542-S545 PolarHBondContact OG1-OG 3.04Å; S545-L561 CarbonylContact C-O 3.56Å; S545-L561 VanDerWaalsContact CA-O 3.29Å; S545-L561 WeakPolarHBondContact CA-O 3.32Å
546	L	94.4	Very high	90.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	107.4	159.8	-174	68.8	0	0	0	108.5	F539 L541 L561 L563 I584 L601 F616	F539-L546 HydrophobicContact CD1-CD1 3.66Å; F539-L546 HydrophobicContact CD1-CD2 3.91Å; F539-L546 HydrophobicContact CD1-CG 3.73Å; F539-L546 HydrophobicContact CE1-CD1 4.39Å; F539-L546 HydrophobicContact CE1-CD2 3.76Å; F539-L546 HydrophobicContact CE1-CG 4.02Å; L541-L546 HydrophobicContact CB-CD1 4.01Å; L541-L546 HydrophobicContact CD1-CB 4.47Å; L541-L546 HydrophobicContact CD1-CD1 4.08Å; L546-L561 HydrophobicContact CB-CB 4.36Å; L546-L561 HydrophobicContact CD2-CD2 4.37Å; L546-L561 PolarHBondContact N-O 3.02Å; L546-L561 PolarHBondContact O-N 2.85Å; L546-L563 HydrophobicContact CB-CD2 3.94Å; L546-I584 HydrophobicContact CD2-CD1 3.95Å; L546-L601 HydrophobicContact CD2-CD1 4.38Å; L546-F616 HydrophobicContact CB-CE1 4.43Å; L546-F616 HydrophobicContact CD1-CE1 3.79Å; L546-F616 HydrophobicContact CD1-CZ 3.6Å; L546-F616 HydrophobicContact CD2-CE1 3.88Å; L546-F616 HydrophobicContact CD2-CZ 3.68Å; L546-F616 HydrophobicContact CG-CE1 4.25Å; L546-F616 HydrophobicContact CG-CZ 4.22Å
547	S	94.4	Very high	90.7	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.028	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	149.6	170.4	-67.8	0	0	0	0	110.4	V540 K557 F559	V540-S547 PolarHBondContact N-O 3.02Å; V540-S547 PolarHBondContact O-N 3.3Å; S547-K557 PolarHBondContact OG-NZ 3.36Å; S547-F559 WeakPolarHBondContact CA-O 3.27Å
548	W	94.1	Very high	90.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	152.9	165.9	65.5	96.6	0	0	0	113.5	I525 Y537 W538 F539 K558 F559 L561 Y593 I599	I525-W548 HydrophobicContact CD1-CD2 4.22Å; I525-W548 VanDerWaalsContact CD1-CE2 3.49Å; I525-W548 HydrophobicContact CD1-CG 4.48Å; I525-W548 HydrophobicContact CD1-CZ2 3.66Å; Y537-W548 AromaticContact CD2-CD1 3.9Å; Y537-W548 AromaticContact CG-CD1 3.66Å; W538-W548 CarbonylContact O-C 3.39Å; W538-W548 VanDerWaalsContact O-CA 3.24Å; W538-W548 WeakPolarHBondContact O-CA 3.34Å; F539-W548 HydrophobicContact CD1-CB 3.67Å; F539-W548 HydrophobicContact CD1-CD2 4.46Å; F539-W548 HydrophobicContact CD1-CE3 4.15Å; F539-W548 HydrophobicContact CD1-CG 4.35Å; F539-W548 HydrophobicContact CD2-CB 3.93Å; F539-W548 HydrophobicContact CE1-CB 3.72Å; F539-W548 AromaticContact CE1-CD2 3.72Å; F539-W548 HydrophobicContact CE1-CD2 3.72Å; F539-W548 AromaticContact CE1-CE3 3.45Å; F539-W548 HydrophobicContact CE1-CE3 3.45Å; F539-W548 VanDerWaalsContact CE1-CE3 3.45Å; F539-W548 AromaticContact CE1-CG 3.9Å; F539-W548 HydrophobicContact CE1-CG 3.9Å; F539-W548 HydrophobicContact CE1-CZ3 4.16Å; F539-W548 HydrophobicContact CE2-CB 3.97Å; F539-W548 HydrophobicContact CE2-CG 4.28Å; F539-W548 HydrophobicContact CG-CB 3.81Å; F539-W548 HydrophobicContact CZ-CB 3.88Å; F539-W548 AromaticContact CZ-CD2 3.9Å; F539-W548 HydrophobicContact CZ-CD2 3.9Å; F539-W548 HydrophobicContact CZ-CE3 4.08Å; F539-W548 AromaticContact CZ-CG 3.87Å; F539-W548 HydrophobicContact CZ-CG 3.87Å; W548-K558 PolarHBondContact O-N 3.28Å; W548-F559 HydrophobicContact CD2-CB 3.8Å; W548-F559 VanDerWaalsContact CE2-CB 3.48Å; W548-F559 HydrophobicContact CE3-CB 4.03Å; W548-F559 HydrophobicContact CE3-CD1 4.43Å; W548-F559 HydrophobicContact CH2-CB 3.77Å; W548-F559 AromaticContact CH2-CD1 3.35Å; W548-F559 HydrophobicContact CH2-CD1 3.35Å; W548-F559 HydrophobicContact CH2-CE1 4.19Å; W548-F559 AromaticContact CH2-CG 3.83Å; W548-F559 HydrophobicContact CH2-CG 3.83Å; W548-F559 HydrophobicContact CZ2-CB 3.49Å; W548-F559 VanDerWaalsContact CZ2-CB 3.49Å; W548-F559 AromaticContact CZ2-CD1 3.91Å; W548-F559 HydrophobicContact CZ2-CD1 3.91Å; W548-F559 AromaticContact CZ2-CG 3.89Å; W548-F559 HydrophobicContact CZ2-CG 3.89Å; W548-F559 HydrophobicContact CZ3-CB 4.02Å; W548-F559 AromaticContact CZ3-CD1 3.65Å; W548-F559 HydrophobicContact CZ3-CD1 3.65Å; W548-F559 HydrophobicContact CZ3-CG 4.27Å; W548-F559 PolarHBondContact N-O 3.49Å; W548-F559 VanDerWaalsContact N-O 3.14Å; W548-F559 PolarHBondContact O-N 3.29Å; W548-L561 HydrophobicContact CZ3-CB 4.1Å; W548-L561 HydrophobicContact CZ3-CD2 4.48Å; W548-Y593 AromaticContact CH2-CD2 3.84Å; W548-Y593 HydrophobicContact CH2-CD2 3.84Å; W548-Y593 HydrophobicContact CH2-CE2 4.31Å; W548-Y593 HydrophobicContact CH2-CG 4.22Å; W548-Y593 HydrophobicContact CZ2-CD1 4.48Å; W548-Y593 AromaticContact CZ2-CD2 3.53Å; W548-Y593 HydrophobicContact CZ2-CD2 3.53Å; W548-Y593 HydrophobicContact CZ2-CE1 4.49Å; W548-Y593 AromaticContact CZ2-CE2 3.55Å; W548-Y593 HydrophobicContact CZ2-CE2 3.55Å; W548-Y593 HydrophobicContact CZ2-CG 4.03Å; W548-I599 HydrophobicContact CH2-CD1 4.17Å; W548-I599 HydrophobicContact CZ3-CD1 4.31Å
549	Y	94.4	Very high	90.4	Very high	22 Å²	22	51.4 Å²	51.4	9%	0.086	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	160.7	-166	-58.8	-104.1	0	0	0	110	Y537 W538 V540 D551 E554 E556 K557	Y537-Y549 WeakPolarHBondContact CB-O 3.43Å; Y537-Y549 WeakPolarHBondContact CD1-O 3.31Å; W538-Y549 PolarHBondContact N-O 2.68Å; W538-Y549 PolarHBondContact O-N 2.73Å; V540-Y549 HydrophobicContact CB-CE2 3.97Å; V540-Y549 HydrophobicContact CG2-CD2 3.92Å; V540-Y549 HydrophobicContact CG2-CE2 3.47Å; V540-Y549 VanDerWaalsContact CG2-CE2 3.47Å; Y549-D551 PolarHBondContact O-N 3.14Å; Y549-E554 VanDerWaalsContact CD1-C 3.45Å; Y549-E554 VanDerWaalsContact CD1-CA 3.45Å; Y549-E554 HydrophobicContact CD1-CB 3.93Å; Y549-E554 HydrophobicContact CD1-CG 4.24Å; Y549-E554 WeakPolarHBondContact CD1-O 3.25Å; Y549-E554 HydrophobicContact CD2-CG 4.16Å; Y549-E554 HydrophobicContact CE1-CB 3.73Å; Y549-E554 HydrophobicContact CE1-CG 4.14Å; Y549-E554 WeakPolarHBondContact CE1-O 3.25Å; Y549-E554 HydrophobicContact CE2-CG 4.13Å; Y549-E554 HydrophobicContact CG-CB 4.38Å; Y549-E554 HydrophobicContact CG-CG 4.21Å; Y549-E556 VanDerWaalsContact CA-O 3.29Å; Y549-E556 WeakPolarHBondContact CA-O 3.49Å; Y549-K557 HydrophobicContact CD1-CB 3.82Å; Y549-K557 HydrophobicContact CD1-CG 4.45Å; Y549-K557 HydrophobicContact CE1-CB 3.78Å; Y549-K557 VanDerWaalsContact CE1-CE 3.48Å; Y549-K557 HydrophobicContact CE1-CG 4.27Å; Y549-K557 WeakPolarHBondContact OH-CE 3.3Å; Y549-K557 PolarHBondContact OH-NZ 3.33Å
550	K	90.1	Very high	90.2	Very high	110 Å²	110	56.1 Å²	56.1	48%	0.478	27%	0.266	S	S	.	.	S	Bend	trans	-59.9	-36.1	175.6	-175.3	172.5	150.3	-89.6	0	113	E556	K550-E556 HydrophobicContact CB-CB 4.21Å; K550-E556 WeakPolarHBondContact CD-OE2 3.5Å; K550-E556 PolarHBondContact N-O 3.38Å
551	D	90	Very high	90	Very high	31 Å²	31	56.4 Å²	56.4	17%	0.166	27%	0.267	C	S	.	.	S	Bend	trans	-158.7	166.8	-165.4	33.8	50.4	0	0	0	111	Y549 E553 E554	Y549-D551 PolarHBondContact O-N 3.14Å; D551-E553 PolarHBondContact O-N 3.49Å; D551-E553 VanDerWaalsContact O-N 3.14Å; D551-E554 PolarHBondContact O-N 3.11Å
552	E	89.9	Confident	89.8	Confident	117 Å²	117	60 Å²	60	55%	0.547	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.2	179.4	-72.2	177.7	-164.2	0	0	114.2	W522 W538 E554	W522-E552 HydrophobicContact CZ2-CG 3.94Å; W522-E552 PolarHBondContact NE1-OE1 3.33Å; W538-E552 HydrophobicContact CD2-CB 4.41Å; W538-E552 HydrophobicContact CD2-CG 3.72Å; W538-E552 HydrophobicContact CE3-CG 3.57Å; W538-E552 HydrophobicContact CG-CG 4.3Å; W538-E552 HydrophobicContact CH2-CG 4.01Å; W538-E552 HydrophobicContact CZ2-CG 4.17Å; W538-E552 HydrophobicContact CZ3-CG 3.71Å; E552-E554 PolarHBondContact O-N 3.05Å
553	E	86.9	Confident	89.8	Confident	123 Å²	123	60.1 Å²	60.1	58%	0.575	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.8	177.6	-56.6	-159.1	109	0	0	113.1	D551 K555	D551-E553 PolarHBondContact O-N 3.49Å; D551-E553 VanDerWaalsContact O-N 3.14Å; E553-K555 HydrophobicContact CB-CD 3.99Å; E553-K555 HydrophobicContact CB-CG 3.96Å; E553-K555 PolarHBondContact O-N 3.12Å; E553-K555 IonicContact OE1-NZ 2.71Å; E553-K555 PolarHBondContact OE1-NZ 3.03Å; E553-K555 WeakPolarHBondContact OE2-CD 3.49Å; E553-K555 WeakPolarHBondContact OE2-CE 3.44Å; E553-K555 IonicContact OE2-NZ 2.76Å; E553-K555 PolarHBondContact OE2-NZ 3.37Å
554	E	87.3	Confident	89.9	Confident	55 Å²	55	63.2 Å²	63.2	26%	0.257	30%	0.301	S	S	.	.			trans	54.1	16.6	-177.5	-70.6	-179.9	-153.5	0	0	114.3	R520 W538 V540 Y549 D551 E552	R520-E554 WeakPolarHBondContact CD-OE1 3.31Å; R520-E554 IonicContact CZ-OE1 2.61Å; R520-E554 IonicContact NE-OE1 3.76Å; R520-E554 PolarHBondContact NE-OE1 3.31Å; R520-E554 IonicContact NE-OE2 3.21Å; R520-E554 IonicContact NH2-OE1 3.39Å; R520-E554 IonicContact NH2-OE2 3.42Å; W538-E554 PolarHBondContact NE1-OE1 3.05Å; W538-E554 VanDerWaalsContact NE1-OE1 3.09Å; V540-E554 HydrophobicContact CG2-CG 4.26Å; V540-E554 WeakPolarHBondContact CG2-OE1 3.45Å; Y549-E554 VanDerWaalsContact CD1-C 3.45Å; Y549-E554 VanDerWaalsContact CD1-CA 3.45Å; Y549-E554 HydrophobicContact CD1-CB 3.93Å; Y549-E554 HydrophobicContact CD1-CG 4.24Å; Y549-E554 WeakPolarHBondContact CD1-O 3.25Å; Y549-E554 HydrophobicContact CD2-CG 4.16Å; Y549-E554 HydrophobicContact CE1-CB 3.73Å; Y549-E554 HydrophobicContact CE1-CG 4.14Å; Y549-E554 WeakPolarHBondContact CE1-O 3.25Å; Y549-E554 HydrophobicContact CE2-CG 4.13Å; Y549-E554 HydrophobicContact CG-CB 4.38Å; Y549-E554 HydrophobicContact CG-CG 4.21Å; D551-E554 PolarHBondContact O-N 3.11Å; E552-E554 PolarHBondContact O-N 3.05Å
555	K	85.1	Confident	90	Very high	151 Å²	151	62.3 Å²	62.3	66%	0.657	30%	0.299	S	S	*	.			trans	-74.9	-42.9	-177.8	-68.2	173.9	-167.9	160.7	0	113.1	E553	E553-K555 HydrophobicContact CB-CD 3.99Å; E553-K555 HydrophobicContact CB-CG 3.96Å; E553-K555 PolarHBondContact O-N 3.12Å; E553-K555 IonicContact OE1-NZ 2.71Å; E553-K555 PolarHBondContact OE1-NZ 3.03Å; E553-K555 WeakPolarHBondContact OE2-CD 3.49Å; E553-K555 WeakPolarHBondContact OE2-CE 3.44Å; E553-K555 IonicContact OE2-NZ 2.76Å; E553-K555 PolarHBondContact OE2-NZ 3.37Å
556	E	88.9	Confident	89.9	Confident	91 Å²	91	62.5 Å²	62.5	43%	0.425	30%	0.299	S	S	.	.	S	Bend	trans	-110.6	87.9	-176.3	-158.5	-162.1	169.4	0	0	111.7	Y549 K550 K558	Y549-E556 VanDerWaalsContact CA-O 3.29Å; Y549-E556 WeakPolarHBondContact CA-O 3.49Å; K550-E556 HydrophobicContact CB-CB 4.21Å; K550-E556 WeakPolarHBondContact CD-OE2 3.5Å; K550-E556 PolarHBondContact N-O 3.38Å; E556-K558 VanDerWaalsContact CD-CE 3.43Å; E556-K558 PolarHBondContact O-N 2.97Å; E556-K558 WeakPolarHBondContact OE1-CE 3.48Å; E556-K558 IonicContact OE1-NZ 2.74Å; E556-K558 PolarHBondContact OE1-NZ 2.98Å; E556-K558 WeakPolarHBondContact OE2-CE 3.29Å; E556-K558 IonicContact OE2-NZ 3.32Å; E556-K558 PolarHBondContact OE2-NZ 3.43Å
557	K	91.6	Very high	89.6	Confident	87 Å²	87	66.2 Å²	66.2	38%	0.378	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	118	173.4	-175	167.4	-61.8	-155.7	0	110.4	S547 Y549 F559 M560	S547-K557 PolarHBondContact OG-NZ 3.36Å; Y549-K557 HydrophobicContact CD1-CB 3.82Å; Y549-K557 HydrophobicContact CD1-CG 4.45Å; Y549-K557 HydrophobicContact CE1-CB 3.78Å; Y549-K557 VanDerWaalsContact CE1-CE 3.48Å; Y549-K557 HydrophobicContact CE1-CG 4.27Å; Y549-K557 WeakPolarHBondContact OH-CE 3.3Å; Y549-K557 PolarHBondContact OH-NZ 3.33Å; K557-F559 WeakPolarHBondContact CG-O 3.4Å; K557-M560 HydrophobicContact CD-CB 4.34Å; K557-M560 HydrophobicContact CD-CE 4.27Å
558	K	90.9	Very high	89.4	Confident	75 Å²	75	66.1 Å²	66.1	33%	0.326	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	-31.3	-179.4	-63.7	-67.7	177.1	-179.4	0	112.8	Y537 W548 E556	Y537-K558 HydrophobicContact CD1-CG 4.19Å; Y537-K558 HydrophobicContact CE1-CG 3.96Å; W548-K558 PolarHBondContact O-N 3.28Å; E556-K558 VanDerWaalsContact CD-CE 3.43Å; E556-K558 PolarHBondContact O-N 2.97Å; E556-K558 WeakPolarHBondContact OE1-CE 3.48Å; E556-K558 IonicContact OE1-NZ 2.74Å; E556-K558 PolarHBondContact OE1-NZ 2.98Å; E556-K558 WeakPolarHBondContact OE2-CE 3.29Å; E556-K558 IonicContact OE2-NZ 3.32Å; E556-K558 PolarHBondContact OE2-NZ 3.43Å
559	F	91.6	Very high	89.2	Confident	67 Å²	67	70.8 Å²	70.8	29%	0.294	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	162.2	175	-154.6	-110.2	0	0	0	111.7	S547 W548 K557 L561 V592 Y593	S547-F559 WeakPolarHBondContact CA-O 3.27Å; W548-F559 HydrophobicContact CD2-CB 3.8Å; W548-F559 VanDerWaalsContact CE2-CB 3.48Å; W548-F559 HydrophobicContact CE3-CB 4.03Å; W548-F559 HydrophobicContact CE3-CD1 4.43Å; W548-F559 HydrophobicContact CH2-CB 3.77Å; W548-F559 AromaticContact CH2-CD1 3.35Å; W548-F559 HydrophobicContact CH2-CD1 3.35Å; W548-F559 HydrophobicContact CH2-CE1 4.19Å; W548-F559 AromaticContact CH2-CG 3.83Å; W548-F559 HydrophobicContact CH2-CG 3.83Å; W548-F559 HydrophobicContact CZ2-CB 3.49Å; W548-F559 VanDerWaalsContact CZ2-CB 3.49Å; W548-F559 AromaticContact CZ2-CD1 3.91Å; W548-F559 HydrophobicContact CZ2-CD1 3.91Å; W548-F559 AromaticContact CZ2-CG 3.89Å; W548-F559 HydrophobicContact CZ2-CG 3.89Å; W548-F559 HydrophobicContact CZ3-CB 4.02Å; W548-F559 AromaticContact CZ3-CD1 3.65Å; W548-F559 HydrophobicContact CZ3-CD1 3.65Å; W548-F559 HydrophobicContact CZ3-CG 4.27Å; W548-F559 PolarHBondContact N-O 3.49Å; W548-F559 VanDerWaalsContact N-O 3.14Å; W548-F559 PolarHBondContact O-N 3.29Å; K557-F559 WeakPolarHBondContact CG-O 3.4Å; F559-L561 HydrophobicContact CD1-CB 4.06Å; F559-L561 HydrophobicContact CE1-CB 4.04Å; F559-V592 WeakPolarHBondContact CE1-O 3.33Å; F559-Y593 HydrophobicContact CB-CD2 4.45Å; F559-Y593 HydrophobicContact CB-CE2 4.15Å; F559-Y593 AromaticContact CD1-CD2 3.94Å; F559-Y593 HydrophobicContact CD1-CD2 3.94Å; F559-Y593 HydrophobicContact CD1-CE2 4.46Å; F559-Y593 AromaticContact CD2-CD2 3.71Å; F559-Y593 HydrophobicContact CD2-CD2 3.71Å; F559-Y593 AromaticContact CD2-CE2 3.67Å; F559-Y593 HydrophobicContact CD2-CE2 3.67Å; F559-Y593 HydrophobicContact CE1-CD2 4.02Å; F559-Y593 AromaticContact CE2-CD2 3.8Å; F559-Y593 HydrophobicContact CE2-CD2 3.8Å; F559-Y593 HydrophobicContact CE2-CE2 4.13Å; F559-Y593 AromaticContact CG-CD2 3.77Å; F559-Y593 HydrophobicContact CG-CD2 3.77Å; F559-Y593 AromaticContact CG-CE2 3.85Å; F559-Y593 HydrophobicContact CG-CE2 3.85Å; F559-Y593 AromaticContact CZ-CD2 3.95Å; F559-Y593 HydrophobicContact CZ-CD2 3.95Å
560	M	91.5	Very high	88.7	Confident	100 Å²	100	74.7 Å²	74.7	49%	0.493	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	121.7	165.6	179.1	-175.6	-74	0	0	107.7	K557	K557-M560 HydrophobicContact CD-CB 4.34Å; K557-M560 HydrophobicContact CD-CE 4.27Å
561	L	91.3	Very high	88.3	Confident	10 Å²	10	71.3 Å²	71.3	5%	0.052	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	111.3	179.7	169.2	59.3	0	0	0	108.7	S545 L546 W548 F559 L566 V592 I599	S545-L561 CarbonylContact C-O 3.56Å; S545-L561 VanDerWaalsContact CA-O 3.29Å; S545-L561 WeakPolarHBondContact CA-O 3.32Å; L546-L561 HydrophobicContact CB-CB 4.36Å; L546-L561 HydrophobicContact CD2-CD2 4.37Å; L546-L561 PolarHBondContact N-O 3.02Å; L546-L561 PolarHBondContact O-N 2.85Å; W548-L561 HydrophobicContact CZ3-CB 4.1Å; W548-L561 HydrophobicContact CZ3-CD2 4.48Å; F559-L561 HydrophobicContact CD1-CB 4.06Å; F559-L561 HydrophobicContact CE1-CB 4.04Å; L561-L566 HydrophobicContact CD1-CD1 3.96Å; L561-L566 HydrophobicContact CD1-CD2 4.34Å; L561-L566 HydrophobicContact CD2-CD1 3.77Å; L561-L566 HydrophobicContact CG-CD1 3.72Å; L561-V592 HydrophobicContact CD1-CG1 3.89Å; L561-V592 HydrophobicContact CD2-CG1 3.5Å; L561-V592 HydrophobicContact CG-CG1 4.35Å; L561-I599 HydrophobicContact CD2-CD1 3.93Å
562	P	89.8	Confident	87.5	Confident	75 Å²	75	78.5 Å²	78.5	49%	0.487	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	142	170.1	-21.2	33.3	0	0	0	110.7	D564 L566	P562-D564 VanDerWaalsContact C-N 3.29Å; P562-D564 PolarHBondContact O-N 2.95Å; P562-L566 WeakPolarHBondContact O-CD1 3.39Å
563	L	88.3	Confident	86.3	Confident	14 Å²	14	77.6 Å²	77.6	7%	0.073	37%	0.37	C	S	.	.			trans	-80.9	-8	-176.8	-57.9	-177.6	0	0	0	114.2	L541 T542 E544 L546 N565 L566 A619 V621	L541-L563 HydrophobicContact CD1-CD1 3.8Å; L541-L563 HydrophobicContact CD1-CD2 4.18Å; T542-L563 WeakPolarHBondContact O-CD1 3.27Å; E544-L563 PolarHBondContact O-N 2.68Å; L546-L563 HydrophobicContact CB-CD2 3.94Å; L563-N565 PolarHBondContact O-N 3.19Å; L563-L566 HydrophobicContact CD2-CD1 4.11Å; L563-L566 PolarHBondContact O-N 2.8Å; L563-A619 HydrophobicContact CD1-CB 3.52Å; L563-V621 HydrophobicContact CB-CG2 3.83Å; L563-V621 HydrophobicContact CD1-CG2 4.15Å; L563-V621 HydrophobicContact CD2-CG2 4.01Å; L563-V621 HydrophobicContact CG-CG2 4.19Å
564	D	83.4	Confident	85.3	Confident	110 Å²	110	73.9 Å²	73.9	59%	0.588	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	128.2	178.4	-77.6	-49.7	0	0	0	112.3	P562 L566 N586	P562-D564 VanDerWaalsContact C-N 3.29Å; P562-D564 PolarHBondContact O-N 2.95Å; D564-L566 PolarHBondContact O-N 2.71Å; D564-N586 PolarHBondContact O-ND2 3.39Å
565	N	84.1	Confident	83.8	Confident	59 Å²	59	81.2 Å²	81.2	32%	0.316	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	25.5	179	-56.4	-25.7	0	0	0	114.5	L563 N586 T587 E588 R590	L563-N565 PolarHBondContact O-N 3.19Å; N565-N586 CarbonylContact O-C 3.41Å; N565-N586 WeakPolarHBondContact O-CA 3.45Å; N565-N586 PolarHBondContact O-ND2 3.25Å; N565-T587 PolarHBondContact O-N 3.32Å; N565-T587 PolarHBondContact O-OG1 2.91Å; N565-E588 PolarHBondContact ND2-OE1 2.95Å; N565-E588 PolarHBondContact ND2-OE2 2.65Å; N565-R590 PolarHBondContact ND2-NH2 2.71Å
566	L	89.4	Confident	82.5	Confident	11 Å²	11	82.9 Å²	82.9	6%	0.058	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	150	170.9	-58.9	-173.2	0	0	0	112.3	L561 P562 L563 D564 I584 F585 N586 V592 V621	L561-L566 HydrophobicContact CD1-CD1 3.96Å; L561-L566 HydrophobicContact CD1-CD2 4.34Å; L561-L566 HydrophobicContact CD2-CD1 3.77Å; L561-L566 HydrophobicContact CG-CD1 3.72Å; P562-L566 WeakPolarHBondContact O-CD1 3.39Å; L563-L566 HydrophobicContact CD2-CD1 4.11Å; L563-L566 PolarHBondContact O-N 2.8Å; D564-L566 PolarHBondContact O-N 2.71Å; L566-I584 HydrophobicContact CB-CG2 4.01Å; L566-I584 HydrophobicContact CD1-CG2 3.77Å; L566-I584 HydrophobicContact CD2-CG2 4.33Å; L566-I584 HydrophobicContact CG-CG2 4.27Å; L566-F585 WeakPolarHBondContact CA-O 3.34Å; L566-N586 HydrophobicContact CD2-CB 3.99Å; L566-V592 HydrophobicContact CD2-CG2 4.01Å; L566-V621 HydrophobicContact CB-CG1 3.98Å; L566-V621 HydrophobicContact CB-CG2 4.27Å
567	K	89.1	Confident	81.5	Confident	78 Å²	78	81 Å²	81	34%	0.339	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154.5	165.7	-77.2	-170.6	-179.9	-176.6	0	111.2	I584 F585 T587 Y622 E624	K567-I584 WeakPolarHBondContact O-CA 3.11Å; K567-F585 HydrophobicContact CB-CD1 4.24Å; K567-F585 HydrophobicContact CB-CE1 3.53Å; K567-F585 HydrophobicContact CB-CE2 4.36Å; K567-F585 HydrophobicContact CB-CZ 3.6Å; K567-F585 HydrophobicContact CD-CZ 4.18Å; K567-F585 HydrophobicContact CG-CZ 4.46Å; K567-F585 PolarHBondContact N-O 2.71Å; K567-F585 WeakPolarHBondContact O-CD1 3.37Å; K567-F585 PolarHBondContact O-N 3.43Å; K567-T587 HydrophobicContact CB-CG2 4.29Å; K567-T587 HydrophobicContact CD-CG2 3.73Å; K567-T587 HydrophobicContact CG-CG2 3.7Å; K567-Y622 CarbonylContact C-O 3.6Å; K567-Y622 WeakPolarHBondContact CA-O 3.42Å; K567-Y622 WeakPolarHBondContact CB-O 3.42Å; K567-Y622 WeakPolarHBondContact CG-O 3.34Å; K567-E624 HydrophobicContact CD-CB 4.47Å
568	L	90.6	Very high	80.7	Confident	2 Å²	2	81.6 Å²	81.6	1%	0.01	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	150.7	167.5	-61.2	153.9	0	0	0	109.4	F582 A583 I584 K613 F616 V621 Y622 P623 E624	L568-F582 HydrophobicContact CD2-CD2 3.5Å; L568-F582 VanDerWaalsContact CD2-CD2 3.5Å; L568-F582 HydrophobicContact CD2-CE2 3.64Å; L568-A583 CarbonylContact C-O 3.57Å; L568-A583 VanDerWaalsContact CA-O 3.26Å; L568-A583 WeakPolarHBondContact CA-O 3.38Å; L568-I584 HydrophobicContact CD2-CD1 4.47Å; L568-I584 HydrophobicContact CD2-CG1 3.92Å; L568-K613 HydrophobicContact CD1-CB 4.37Å; L568-K613 HydrophobicContact CD1-CG 4.33Å; L568-F616 HydrophobicContact CD1-CB 3.9Å; L568-F616 HydrophobicContact CD2-CB 4.25Å; L568-F616 HydrophobicContact CD2-CD2 4.05Å; L568-F616 HydrophobicContact CD2-CG 4.17Å; L568-F616 HydrophobicContact CG-CB 4.43Å; L568-V621 HydrophobicContact CG-CG1 4.14Å; L568-Y622 PolarHBondContact N-O 2.87Å; L568-P623 HydrophobicContact CB-CB 4.42Å; L568-P623 CarbonylContact O-C 3.54Å; L568-P623 WeakPolarHBondContact O-CA 3.44Å; L568-E624 PolarHBondContact O-N 3.27Å
569	R	88.3	Confident	80.2	Confident	98 Å²	98	80.1 Å²	80.1	37%	0.37	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	140.7	167.4	173.8	-177.9	-67.1	-179	-5.9	108.5	A583 F585 E624	R569-A583 HydrophobicContact CB-CB 4.33Å; R569-A583 PolarHBondContact N-O 3.24Å; R569-A583 PolarHBondContact O-N 2.88Å; R569-F585 HydrophobicContact CB-CD1 4Å; R569-F585 HydrophobicContact CB-CE1 3.92Å; R569-E624 IonicContact CZ-OE2 3.58Å; R569-E624 IonicContact NE-OE2 3.47Å; R569-E624 PolarHBondContact NE-OE2 3.44Å; R569-E624 VanDerWaalsContact NH2-CD 3.32Å; R569-E624 IonicContact NH2-OE1 3.52Å; R569-E624 PolarHBondContact NH2-OE1 2.93Å; R569-E624 VanDerWaalsContact NH2-OE1 3.15Å; R569-E624 IonicContact NH2-OE2 3.42Å; R569-E624 PolarHBondContact NH2-OE2 3.14Å
570	D	84.4	Confident	80	Confident	105 Å²	105	79.2 Å²	79.2	56%	0.561	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	136.6	174	-78	11.9	0	0	0	109.9	K613	D570-K613 WeakPolarHBondContact OD1-CE 3.49Å; D570-K613 IonicContact OD1-NZ 2.7Å; D570-K613 PolarHBondContact OD1-NZ 3.14Å; D570-K613 IonicContact OD2-NZ 3.68Å; D570-K613 PolarHBondContact OD2-NZ 3.33Å
571	V	82.1	Confident	79.8	Confident	38 Å²	38	75.4 Å²	75.4	23%	0.23	39%	0.393	C	S	.	.			trans	-118.1	125.2	-173.1	178	0	0	0	0	107.8	K573 V581 A583 E600	V571-K573 PolarHBondContact O-N 3.34Å; V571-V581 HydrophobicContact CB-CB 4.27Å; V571-V581 HydrophobicContact CB-CG1 4.07Å; V571-V581 HydrophobicContact CG1-CB 4.46Å; V571-V581 HydrophobicContact CG1-CG1 4.16Å; V571-A583 HydrophobicContact CG2-CB 3.53Å; V571-E600 HydrophobicContact CG2-CG 4.36Å
572	E	72.3	Confident	79.9	Confident	183 Å²	183	74.9 Å²	74.9	86%	0.855	39%	0.39	S	S	*	.			trans	-57.4	138	178.3	-66	-166.6	149.9	0	0	111.1	G574	E572-G574 PolarHBondContact O-N 2.58Å
573	K	66.6	Low	80	Confident	98 Å²	98	71.3 Å²	71.3	43%	0.426	37%	0.367	S	S	.	.			trans	-69.1	94.7	-179.6	-171.6	170.7	-173.5	169.1	0	109.3	V571 S577 S578 K579 H580	V571-K573 PolarHBondContact O-N 3.34Å; K573-S577 WeakPolarHBondContact CE-O 3.46Å; K573-S578 WeakPolarHBondContact CE-O 3.47Å; K573-S578 PolarHBondContact NZ-O 3.14Å; K573-K579 WeakPolarHBondContact CE-O 3.29Å; K573-H580 PolarHBondContact NZ-CD2 3.4Å; K573-H580 PolarHBondContact NZ-NE2 3.43Å
574	G	64.3	Low	80.1	Confident	44 Å²	44	70.7 Å²	70.7	45%	0.454	36%	0.363	S	S	.	.			trans	-50.4	140	-178.5	0	0	0	0	0	112.2	E572 M576 S577	E572-G574 PolarHBondContact O-N 2.58Å; G574-M576 PolarHBondContact O-N 2.68Å; G574-S577 PolarHBondContact O-N 3.36Å
575	F	56.2	Low	80.5	Confident	209 Å²	209	66.5 Å²	66.5	92%	0.917	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-10.9	-162.1	-164.7	-98.3	0	0	0	117.2
576	M	58.4	Low	80.7	Confident	187 Å²	187	64.4 Å²	64.4	92%	0.921	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	7	177.8	-61.8	-177.9	176.9	0	0	113.9	G574	G574-M576 PolarHBondContact O-N 2.68Å
577	S	66.9	Low	80.3	Confident	50 Å²	50	67.1 Å²	67.1	35%	0.35	35%	0.346	S	S	.	.			trans	-91	126.5	177.6	-178.1	0	0	0	0	111.7	K573 G574 K579	K573-S577 WeakPolarHBondContact CE-O 3.46Å; G574-S577 PolarHBondContact O-N 3.36Å; S577-K579 PolarHBondContact OG-N 3.39Å; S577-K579 PolarHBondContact OG-O 3.1Å
578	S	74.5	Confident	80	Confident	101 Å²	101	68.5 Å²	68.5	71%	0.706	35%	0.353	S	S	*	.			trans	-76.8	-32	167.4	54.5	0	0	0	0	112.7	K573	K573-S578 WeakPolarHBondContact CE-O 3.47Å; K573-S578 PolarHBondContact NZ-O 3.14Å
579	K	81.9	Confident	79.2	Confident	44 Å²	44	74.5 Å²	74.5	19%	0.191	38%	0.382	C	S	.	.	S	Bend	trans	-75.9	153.6	-177.4	-62.5	-156.3	-175.8	-139.8	0	112.9	T524 D536 K573 S577 A602 C603 D604	T524-K579 WeakPolarHBondContact OG1-CE 3.45Å; T524-K579 PolarHBondContact OG1-NZ 3.15Å; D536-K579 IonicContact OD1-NZ 2.71Å; K573-K579 WeakPolarHBondContact CE-O 3.29Å; S577-K579 PolarHBondContact OG-N 3.39Å; S577-K579 PolarHBondContact OG-O 3.1Å; K579-A602 HydrophobicContact CB-CB 3.95Å; K579-A602 HydrophobicContact CD-CB 4.23Å; K579-C603 WeakPolarHBondContact CA-O 3.44Å; K579-C603 WeakPolarHBondContact CB-O 3.43Å; K579-D604 VanDerWaalsContact CD-OD1 3.31Å; K579-D604 WeakPolarHBondContact CD-OD1 3.31Å; K579-D604 WeakPolarHBondContact CE-OD1 3.44Å; K579-D604 IonicContact NZ-OD1 2.68Å; K579-D604 PolarHBondContact NZ-OD1 2.95Å; K579-D604 IonicContact NZ-OD2 2.73Å; K579-D604 PolarHBondContact NZ-OD2 3.46Å
580	H	86.2	Confident	78.9	Confident	48 Å²	48	76.4 Å²	76.4	22%	0.222	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.8	175.3	-70.2	-110.4	0	0	0	109.5	K573 A602 C603 Q606 V609	K573-H580 PolarHBondContact NZ-CD2 3.4Å; K573-H580 PolarHBondContact NZ-NE2 3.43Å; H580-A602 CarbonylContact O-C 3.36Å; H580-A602 WeakPolarHBondContact O-CA 3.33Å; H580-A602 WeakPolarHBondContact O-CB 3.33Å; H580-C603 PolarHBondContact N-O 3.4Å; H580-C603 PolarHBondContact O-N 3.03Å; H580-Q606 PolarHBondContact ND1-OE1 2.92Å; H580-V609 HydrophobicContact CB-CG2 3.65Å
581	V	88.8	Confident	78.9	Confident	19 Å²	19	75.8 Å²	75.8	12%	0.115	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.4	-165.1	-168	0	0	0	0	111.7	V571 E600 L601 A602	V571-V581 HydrophobicContact CB-CB 4.27Å; V571-V581 HydrophobicContact CB-CG1 4.07Å; V571-V581 HydrophobicContact CG1-CB 4.46Å; V571-V581 HydrophobicContact CG1-CG1 4.16Å; V581-E600 HydrophobicContact CG1-CB 4.01Å; V581-E600 HydrophobicContact CG1-CG 4.24Å; V581-L601 WeakPolarHBondContact CA-O 3.37Å; V581-A602 HydrophobicContact CG2-CB 3.94Å
582	F	91.7	Very high	79	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	151.8	164.2	66	-80.5	0	0	0	109.5	L523 L568 I584 L601 V609 W612 F616	L523-F582 HydrophobicContact CD2-CE1 4.49Å; L568-F582 HydrophobicContact CD2-CD2 3.5Å; L568-F582 VanDerWaalsContact CD2-CD2 3.5Å; L568-F582 HydrophobicContact CD2-CE2 3.64Å; F582-I584 HydrophobicContact CE2-CD1 4.45Å; F582-I584 HydrophobicContact CE2-CG1 4.33Å; F582-L601 HydrophobicContact CD1-CB 4.38Å; F582-L601 WeakPolarHBondContact CD1-O 3.33Å; F582-L601 HydrophobicContact CE1-CB 3.91Å; F582-L601 HydrophobicContact CE2-CB 4.05Å; F582-L601 HydrophobicContact CE2-CD1 3.86Å; F582-L601 HydrophobicContact CZ-CB 3.73Å; F582-L601 HydrophobicContact CZ-CD1 3.94Å; F582-L601 HydrophobicContact CZ-CG 4.48Å; F582-L601 PolarHBondContact N-O 3.32Å; F582-L601 PolarHBondContact O-N 2.95Å; F582-L601 VanDerWaalsContact O-O 3.11Å; F582-V609 HydrophobicContact CB-CG1 4.37Å; F582-V609 HydrophobicContact CD1-CB 4.4Å; F582-V609 HydrophobicContact CD1-CG1 3.8Å; F582-V609 HydrophobicContact CD1-CG2 4.14Å; F582-V609 HydrophobicContact CG-CG1 4.39Å; F582-W612 HydrophobicContact CE1-CB 4.24Å; F582-W612 HydrophobicContact CZ-CB 4.04Å; F582-F616 HydrophobicContact CE2-CD2 4.06Å; F582-F616 AromaticContact CE2-CE2 3.81Å; F582-F616 HydrophobicContact CE2-CE2 3.81Å; F582-F616 HydrophobicContact CZ-CD2 4.38Å; F582-F616 AromaticContact CZ-CE2 3.94Å; F582-F616 HydrophobicContact CZ-CE2 3.94Å
583	A	91.6	Very high	79.6	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	153.7	176.9	0	0	0	0	0	112.1	L568 R569 V571 I599 E600	L568-A583 CarbonylContact C-O 3.57Å; L568-A583 VanDerWaalsContact CA-O 3.26Å; L568-A583 WeakPolarHBondContact CA-O 3.38Å; R569-A583 HydrophobicContact CB-CB 4.33Å; R569-A583 PolarHBondContact N-O 3.24Å; R569-A583 PolarHBondContact O-N 2.88Å; V571-A583 HydrophobicContact CG2-CB 3.53Å; A583-I599 CarbonylContact C-O 3.58Å; A583-I599 WeakPolarHBondContact CA-O 3.43Å; A583-E600 HydrophobicContact CB-CG 4.29Å
584	I	92.3	Very high	80.5	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.4	163.8	-57.3	178.1	0	0	0	108.1	L546 L566 K567 L568 F582 Q598 I599 L601 F616	L546-I584 HydrophobicContact CD2-CD1 3.95Å; L566-I584 HydrophobicContact CB-CG2 4.01Å; L566-I584 HydrophobicContact CD1-CG2 3.77Å; L566-I584 HydrophobicContact CD2-CG2 4.33Å; L566-I584 HydrophobicContact CG-CG2 4.27Å; K567-I584 WeakPolarHBondContact O-CA 3.11Å; L568-I584 HydrophobicContact CD2-CD1 4.47Å; L568-I584 HydrophobicContact CD2-CG1 3.92Å; F582-I584 HydrophobicContact CE2-CD1 4.45Å; F582-I584 HydrophobicContact CE2-CG1 4.33Å; I584-Q598 CarbonylContact O-C 3.49Å; I584-Q598 WeakPolarHBondContact O-CA 3.5Å; I584-I599 HydrophobicContact CB-CD1 4.49Å; I584-I599 HydrophobicContact CB-CG1 3.96Å; I584-I599 PolarHBondContact N-O 2.99Å; I584-I599 PolarHBondContact O-N 2.81Å; I584-L601 HydrophobicContact CD1-CD1 3.49Å; I584-L601 VanDerWaalsContact CD1-CD1 3.49Å; I584-L601 HydrophobicContact CG1-CD1 4.04Å; I584-F616 HydrophobicContact CD1-CD1 4.24Å; I584-F616 HydrophobicContact CD1-CE1 3.57Å; I584-F616 HydrophobicContact CD1-CE2 4Å; I584-F616 HydrophobicContact CD1-CZ 3.45Å; I584-F616 VanDerWaalsContact CD1-CZ 3.45Å
585	F	90.6	Very high	81.3	Confident	22 Å²	22	70.6 Å²	70.6	10%	0.096	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	160.5	179.9	73.8	-81.4	0	0	0	111.2	L566 K567 R569 T587 Q598 E624	L566-F585 WeakPolarHBondContact CA-O 3.34Å; K567-F585 HydrophobicContact CB-CD1 4.24Å; K567-F585 HydrophobicContact CB-CE1 3.53Å; K567-F585 HydrophobicContact CB-CE2 4.36Å; K567-F585 HydrophobicContact CB-CZ 3.6Å; K567-F585 HydrophobicContact CD-CZ 4.18Å; K567-F585 HydrophobicContact CG-CZ 4.46Å; K567-F585 PolarHBondContact N-O 2.71Å; K567-F585 WeakPolarHBondContact O-CD1 3.37Å; K567-F585 PolarHBondContact O-N 3.43Å; R569-F585 HydrophobicContact CB-CD1 4Å; R569-F585 HydrophobicContact CB-CE1 3.92Å; F585-T587 HydrophobicContact CE2-CG2 4.29Å; F585-Q598 HydrophobicContact CB-CB 3.74Å; F585-E624 HydrophobicContact CE1-CB 3.99Å; F585-E624 HydrophobicContact CE1-CG 4.49Å; F585-E624 HydrophobicContact CZ-CB 3.98Å; F585-E624 HydrophobicContact CZ-CG 4.05Å; F585-E624 VanDerWaalsContact CZ-OE1 3.22Å; F585-E624 WeakPolarHBondContact CZ-OE1 3.25Å; F585-E624 WeakPolarHBondContact CZ-OE2 3.43Å
586	N	87.8	Confident	82.6	Confident	16 Å²	16	62.5 Å²	62.5	9%	0.086	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	130.4	177	-168.4	-82.5	0	0	0	111.5	D564 N565 L566 E588 Q589 R590 V592	D564-N586 PolarHBondContact O-ND2 3.39Å; N565-N586 CarbonylContact O-C 3.41Å; N565-N586 WeakPolarHBondContact O-CA 3.45Å; N565-N586 PolarHBondContact O-ND2 3.25Å; L566-N586 HydrophobicContact CD2-CB 3.99Å; N586-E588 VanDerWaalsContact C-N 3.27Å; N586-E588 PolarHBondContact O-N 3.12Å; N586-E588 WeakPolarHBondContact OD1-CB 3.41Å; N586-E588 PolarHBondContact OD1-N 3.15Å; N586-Q589 PolarHBondContact O-N 2.88Å; N586-Q589 VanDerWaalsContact O-N 3.13Å; N586-R590 HydrophobicContact CB-CB 4.38Å; N586-R590 WeakPolarHBondContact CB-O 3.45Å; N586-V592 HydrophobicContact CB-CG2 3.77Å
587	T	81.8	Confident	83.7	Confident	67 Å²	67	60.6 Å²	60.6	41%	0.411	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.3	-174.9	59.9	0	0	0	0	114	N565 K567 F585 Q589	N565-T587 PolarHBondContact O-N 3.32Å; N565-T587 PolarHBondContact O-OG1 2.91Å; K567-T587 HydrophobicContact CB-CG2 4.29Å; K567-T587 HydrophobicContact CD-CG2 3.73Å; K567-T587 HydrophobicContact CG-CG2 3.7Å; F585-T587 HydrophobicContact CE2-CG2 4.29Å; T587-Q589 VanDerWaalsContact C-N 3.27Å
588	E	82	Confident	84.8	Confident	107 Å²	107	61.1 Å²	61.1	50%	0.5	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	16.8	174.1	-62.6	178.6	174.4	0	0	112.4	N565 N586 R590	N565-E588 PolarHBondContact ND2-OE1 2.95Å; N565-E588 PolarHBondContact ND2-OE2 2.65Å; N586-E588 VanDerWaalsContact C-N 3.27Å; N586-E588 PolarHBondContact O-N 3.12Å; N586-E588 WeakPolarHBondContact OD1-CB 3.41Å; N586-E588 PolarHBondContact OD1-N 3.15Å; E588-R590 HydrophobicContact CB-CG 4.23Å; E588-R590 PolarHBondContact O-N 3.49Å; E588-R590 IonicContact OE1-NH2 2.78Å; E588-R590 IonicContact OE2-CZ 2.63Å; E588-R590 IonicContact OE2-NE 2.66Å; E588-R590 PolarHBondContact OE2-NE 3Å; E588-R590 IonicContact OE2-NH2 3.93Å; E588-R590 PolarHBondContact OE2-NH2 3.5Å
589	Q	74.1	Confident	85.5	Confident	129 Å²	129	56.4 Å²	56.4	60%	0.603	26%	0.261	S	S	*	.			trans	56.8	15.7	-175	-52	-167.6	18.8	0	0	115.4	N586 T587	N586-Q589 PolarHBondContact O-N 2.88Å; N586-Q589 VanDerWaalsContact O-N 3.13Å; T587-Q589 VanDerWaalsContact C-N 3.27Å
590	R	82.2	Confident	85.9	Confident	138 Å²	138	56.7 Å²	56.7	52%	0.521	26%	0.263	S	S	.	.			trans	-67.1	148.5	172.9	-61	-162.6	-110.7	153.3	-8.4	110.4	N565 N586 E588 V592	N565-R590 PolarHBondContact ND2-NH2 2.71Å; N586-R590 HydrophobicContact CB-CB 4.38Å; N586-R590 WeakPolarHBondContact CB-O 3.45Å; E588-R590 HydrophobicContact CB-CG 4.23Å; E588-R590 PolarHBondContact O-N 3.49Å; E588-R590 IonicContact OE1-NH2 2.78Å; E588-R590 IonicContact OE2-CZ 2.63Å; E588-R590 IonicContact OE2-NE 2.66Å; E588-R590 PolarHBondContact OE2-NE 3Å; E588-R590 IonicContact OE2-NH2 3.93Å; E588-R590 PolarHBondContact OE2-NH2 3.5Å; R590-V592 PolarHBondContact O-N 3.24Å
591	N	85.1	Confident	86.2	Confident	91 Å²	91	54.4 Å²	54.4	49%	0.487	25%	0.253	S	S	.	.			trans	-67	131.1	176	-66.2	-12.5	0	0	0	110.4	K594 L596	N591-K594 WeakPolarHBondContact CB-O 3.16Å; N591-K594 PolarHBondContact ND2-O 2.95Å; N591-L596 CarbonylContact C-O 3.56Å; N591-L596 WeakPolarHBondContact CA-O 3.45Å
592	V	83.9	Confident	86.4	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.024	25%	0.249	C	C	.	.	S	Bend	trans	-86.2	-36.8	179.9	173.1	0	0	0	0	111.2	F559 L561 L566 N586 R590 L596 R597 I599	F559-V592 WeakPolarHBondContact CE1-O 3.33Å; L561-V592 HydrophobicContact CD1-CG1 3.89Å; L561-V592 HydrophobicContact CD2-CG1 3.5Å; L561-V592 HydrophobicContact CG-CG1 4.35Å; L566-V592 HydrophobicContact CD2-CG2 4.01Å; N586-V592 HydrophobicContact CB-CG2 3.77Å; R590-V592 PolarHBondContact O-N 3.24Å; V592-L596 PolarHBondContact N-O 3.36Å; V592-R597 WeakPolarHBondContact CG2-O 3.23Å; V592-I599 HydrophobicContact CG1-CD1 4.06Å; V592-I599 HydrophobicContact CG1-CG1 3.93Å; V592-I599 HydrophobicContact CG1-CG2 4.08Å
593	Y	85.4	Confident	86.3	Confident	15 Å²	15	54.1 Å²	54.1	6%	0.059	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-148.4	121.1	176.2	-179.5	-121.3	0	0	0	110.8	I527 W548 F559 D595 L596 I599	I527-Y593 HydrophobicContact CD1-CE1 4.1Å; W548-Y593 AromaticContact CH2-CD2 3.84Å; W548-Y593 HydrophobicContact CH2-CD2 3.84Å; W548-Y593 HydrophobicContact CH2-CE2 4.31Å; W548-Y593 HydrophobicContact CH2-CG 4.22Å; W548-Y593 HydrophobicContact CZ2-CD1 4.48Å; W548-Y593 AromaticContact CZ2-CD2 3.53Å; W548-Y593 HydrophobicContact CZ2-CD2 3.53Å; W548-Y593 HydrophobicContact CZ2-CE1 4.49Å; W548-Y593 AromaticContact CZ2-CE2 3.55Å; W548-Y593 HydrophobicContact CZ2-CE2 3.55Å; W548-Y593 HydrophobicContact CZ2-CG 4.03Å; F559-Y593 HydrophobicContact CB-CD2 4.45Å; F559-Y593 HydrophobicContact CB-CE2 4.15Å; F559-Y593 AromaticContact CD1-CD2 3.94Å; F559-Y593 HydrophobicContact CD1-CD2 3.94Å; F559-Y593 HydrophobicContact CD1-CE2 4.46Å; F559-Y593 AromaticContact CD2-CD2 3.71Å; F559-Y593 HydrophobicContact CD2-CD2 3.71Å; F559-Y593 AromaticContact CD2-CE2 3.67Å; F559-Y593 HydrophobicContact CD2-CE2 3.67Å; F559-Y593 HydrophobicContact CE1-CD2 4.02Å; F559-Y593 AromaticContact CE2-CD2 3.8Å; F559-Y593 HydrophobicContact CE2-CD2 3.8Å; F559-Y593 HydrophobicContact CE2-CE2 4.13Å; F559-Y593 AromaticContact CG-CD2 3.77Å; F559-Y593 HydrophobicContact CG-CD2 3.77Å; F559-Y593 AromaticContact CG-CE2 3.85Å; F559-Y593 HydrophobicContact CG-CE2 3.85Å; F559-Y593 AromaticContact CZ-CD2 3.95Å; F559-Y593 HydrophobicContact CZ-CD2 3.95Å; Y593-D595 PolarHBondContact O-N 3.24Å; Y593-D595 VanDerWaalsContact O-N 3.1Å; Y593-L596 HydrophobicContact CD1-CD1 4.44Å; Y593-L596 PolarHBondContact N-O 2.94Å; Y593-L596 WeakPolarHBondContact O-CB 3.46Å; Y593-L596 PolarHBondContact O-N 2.73Å; Y593-I599 HydrophobicContact CD1-CG2 4.31Å; Y593-I599 HydrophobicContact CG-CG2 4.18Å
594	K	83.9	Confident	86.1	Confident	141 Å²	141	59.2 Å²	59.2	61%	0.613	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	-111.3	-175.3	-59.6	170.9	177.8	162.7	0	111.4	N591	N591-K594 WeakPolarHBondContact CB-O 3.16Å; N591-K594 PolarHBondContact ND2-O 2.95Å
595	D	81.7	Confident	85.8	Confident	94 Å²	94	62.1 Å²	62.1	50%	0.503	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	12.8	178.2	70.5	-24.1	0	0	0	113.1	K531 Y593	K531-D595 IonicContact NZ-OD1 2.69Å; K531-D595 PolarHBondContact NZ-OD1 2.93Å; K531-D595 IonicContact NZ-OD2 3.11Å; K531-D595 PolarHBondContact NZ-OD2 3.3Å; Y593-D595 PolarHBondContact O-N 3.24Å; Y593-D595 VanDerWaalsContact O-N 3.1Å
596	L	83	Confident	85.4	Confident	39 Å²	39	65 Å²	65	20%	0.204	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-96	129.1	177.7	-49.7	179	0	0	0	110.9	K531 N591 V592 Y593 Q598	K531-L596 HydrophobicContact CD-CD2 4.35Å; N591-L596 CarbonylContact C-O 3.56Å; N591-L596 WeakPolarHBondContact CA-O 3.45Å; V592-L596 PolarHBondContact N-O 3.36Å; Y593-L596 HydrophobicContact CD1-CD1 4.44Å; Y593-L596 PolarHBondContact N-O 2.94Å; Y593-L596 WeakPolarHBondContact O-CB 3.46Å; Y593-L596 PolarHBondContact O-N 2.73Å; L596-Q598 VanDerWaalsContact C-N 3.32Å; L596-Q598 VanDerWaalsContact CB-O 3.29Å; L596-Q598 WeakPolarHBondContact CB-O 3.18Å
597	R	83.3	Confident	85	Confident	148 Å²	148	69.5 Å²	69.5	56%	0.558	33%	0.331	S	S	*	.	S	Bend	trans	-77.2	-17.4	174.6	-65.4	-179.2	176.5	-154.4	-5.7	113.7	V592	V592-R597 WeakPolarHBondContact CG2-O 3.23Å
598	Q	88.3	Confident	85.2	Confident	60 Å²	60	69.3 Å²	69.3	28%	0.28	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.7	171.1	75	-173.8	33.5	0	0	110	I584 F585 L596 E600	I584-Q598 CarbonylContact O-C 3.49Å; I584-Q598 WeakPolarHBondContact O-CA 3.5Å; F585-Q598 HydrophobicContact CB-CB 3.74Å; L596-Q598 VanDerWaalsContact C-N 3.32Å; L596-Q598 VanDerWaalsContact CB-O 3.29Å; L596-Q598 WeakPolarHBondContact CB-O 3.18Å; Q598-E600 PolarHBondContact NE2-OE1 3.09Å
599	I	90.3	Very high	85.4	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.3	163.8	57	179.7	0	0	0	109.3	W548 L561 A583 I584 V592 Y593 L601	W548-I599 HydrophobicContact CH2-CD1 4.17Å; W548-I599 HydrophobicContact CZ3-CD1 4.31Å; L561-I599 HydrophobicContact CD2-CD1 3.93Å; A583-I599 CarbonylContact C-O 3.58Å; A583-I599 WeakPolarHBondContact CA-O 3.43Å; I584-I599 HydrophobicContact CB-CD1 4.49Å; I584-I599 HydrophobicContact CB-CG1 3.96Å; I584-I599 PolarHBondContact N-O 2.99Å; I584-I599 PolarHBondContact O-N 2.81Å; V592-I599 HydrophobicContact CG1-CD1 4.06Å; V592-I599 HydrophobicContact CG1-CG1 3.93Å; V592-I599 HydrophobicContact CG1-CG2 4.08Å; Y593-I599 HydrophobicContact CD1-CG2 4.31Å; Y593-I599 HydrophobicContact CG-CG2 4.18Å; I599-L601 HydrophobicContact CD1-CD1 4.46Å; I599-L601 HydrophobicContact CD1-CD2 4.36Å; I599-L601 HydrophobicContact CG1-CG 4.49Å
600	E	91.1	Very high	85.9	Confident	51 Å²	51	60.8 Å²	60.8	24%	0.238	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.1	172.4	-79.3	163.4	-139.8	0	0	109.3	I525 N526 V571 V581 A583 Q598	I525-E600 WeakPolarHBondContact CA-O 3.47Å; N526-E600 HydrophobicContact CB-CB 3.81Å; N526-E600 PolarHBondContact N-O 3.38Å; N526-E600 PolarHBondContact ND2-OE2 2.73Å; V571-E600 HydrophobicContact CG2-CG 4.36Å; V581-E600 HydrophobicContact CG1-CB 4.01Å; V581-E600 HydrophobicContact CG1-CG 4.24Å; A583-E600 HydrophobicContact CB-CG 4.29Å; Q598-E600 PolarHBondContact NE2-OE1 3.09Å
601	L	92.5	Very high	85.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.4	-179.4	-61.4	176.5	0	0	0	108.4	L523 T524 I525 F539 L546 V581 F582 I584 I599 F616	L523-L601 HydrophobicContact CD1-CB 4.44Å; L523-L601 HydrophobicContact CD1-CD1 4.15Å; T524-L601 CarbonylContact O-C 3.53Å; T524-L601 WeakPolarHBondContact O-CA 3.22Å; I525-L601 HydrophobicContact CG1-CD2 3.92Å; F539-L601 HydrophobicContact CE1-CD2 4.11Å; F539-L601 HydrophobicContact CE2-CD2 4.35Å; F539-L601 HydrophobicContact CZ-CD2 3.63Å; L546-L601 HydrophobicContact CD2-CD1 4.38Å; V581-L601 WeakPolarHBondContact CA-O 3.37Å; F582-L601 HydrophobicContact CD1-CB 4.38Å; F582-L601 WeakPolarHBondContact CD1-O 3.33Å; F582-L601 HydrophobicContact CE1-CB 3.91Å; F582-L601 HydrophobicContact CE2-CB 4.05Å; F582-L601 HydrophobicContact CE2-CD1 3.86Å; F582-L601 HydrophobicContact CZ-CB 3.73Å; F582-L601 HydrophobicContact CZ-CD1 3.94Å; F582-L601 HydrophobicContact CZ-CG 4.48Å; F582-L601 PolarHBondContact N-O 3.32Å; F582-L601 PolarHBondContact O-N 2.95Å; F582-L601 VanDerWaalsContact O-O 3.11Å; I584-L601 HydrophobicContact CD1-CD1 3.49Å; I584-L601 VanDerWaalsContact CD1-CD1 3.49Å; I584-L601 HydrophobicContact CG1-CD1 4.04Å; I599-L601 HydrophobicContact CD1-CD1 4.46Å; I599-L601 HydrophobicContact CD1-CD2 4.36Å; I599-L601 HydrophobicContact CG1-CG 4.49Å; L601-F616 HydrophobicContact CD1-CZ 4.37Å
602	A	91.1	Very high	86.2	Confident	5 Å²	5	51.2 Å²	51.2	4%	0.041	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.4	-176.4	0	0	0	0	0	112.9	T524 K579 H580 V581	T524-A602 PolarHBondContact N-O 3.42Å; T524-A602 PolarHBondContact O-N 2.85Å; K579-A602 HydrophobicContact CB-CB 3.95Å; K579-A602 HydrophobicContact CD-CB 4.23Å; H580-A602 CarbonylContact O-C 3.36Å; H580-A602 WeakPolarHBondContact O-CA 3.33Å; H580-A602 WeakPolarHBondContact O-CB 3.33Å; V581-A602 HydrophobicContact CG2-CB 3.94Å
603	C	91.1	Very high	86.4	Confident	7 Å²	7	52.2 Å²	52.2	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	160.4	175.5	-45.9	0	0	0	0	110.2	L523 K579 H580 D608 V609	L523-C603 WeakPolarHBondContact CD2-SG 3.26Å; K579-C603 WeakPolarHBondContact CA-O 3.44Å; K579-C603 WeakPolarHBondContact CB-O 3.43Å; H580-C603 PolarHBondContact N-O 3.4Å; H580-C603 PolarHBondContact O-N 3.03Å; C603-D608 HydrophobicContact CB-CB 3.5Å; C603-V609 HydrophobicContact CB-CG2 3.8Å
604	D	87.2	Confident	86	Confident	108 Å²	108	52.5 Å²	52.5	58%	0.578	26%	0.26	S	S	*	.	S	Bend	trans	-76.2	-27.2	179.7	-60	-54.2	0	0	0	112.8	K579	K579-D604 VanDerWaalsContact CD-OD1 3.31Å; K579-D604 WeakPolarHBondContact CD-OD1 3.31Å; K579-D604 WeakPolarHBondContact CE-OD1 3.44Å; K579-D604 IonicContact NZ-OD1 2.68Å; K579-D604 PolarHBondContact NZ-OD1 2.95Å; K579-D604 IonicContact NZ-OD2 2.73Å; K579-D604 PolarHBondContact NZ-OD2 3.46Å
605	T	85.6	Confident	86	Confident	60 Å²	60	45.8 Å²	45.8	37%	0.368	23%	0.231	S	C	.	.	S	Bend	trans	-118.3	157.4	175.4	80.3	0	0	0	0	112.9	E607 D608 V609	T605-E607 VanDerWaalsContact C-N 3.25Å; T605-E607 PolarHBondContact OG1-N 3.36Å; T605-D608 VanDerWaalsContact OG1-CG 3.31Å; T605-D608 PolarHBondContact OG1-N 2.95Å; T605-D608 PolarHBondContact OG1-OD2 3Å; T605-V609 PolarHBondContact O-N 3.37Å
606	Q	83	Confident	86.2	Confident	82 Å²	82	41.3 Å²	41.3	38%	0.383	21%	0.207	S	C	.	.	H	α-helix	trans	-64.1	-33.7	168.1	-175.8	60.2	46.9	0	0	111.8	H580 D608 V609 D610	H580-Q606 PolarHBondContact ND1-OE1 2.92Å; Q606-D608 VanDerWaalsContact C-N 3.34Å; Q606-D608 PolarHBondContact O-N 3.2Å; Q606-V609 WeakPolarHBondContact O-CB 3.1Å; Q606-V609 PolarHBondContact O-N 3.27Å; Q606-D610 PolarHBondContact NE2-OD1 3.32Å; Q606-D610 PolarHBondContact O-N 2.87Å
607	E	78	Confident	86	Confident	112 Å²	112	40.9 Å²	40.9	52%	0.523	20%	0.204	S	C	.	.	H	α-helix	trans	-66.4	-37.2	-177.8	-171.5	174.6	169.4	0	0	111.8	R364 T605 D610 S611	R364-E607 IonicContact CZ-OE1 3.55Å; R364-E607 IonicContact NH1-OE1 3.12Å; R364-E607 PolarHBondContact NH1-OE1 2.86Å; R364-E607 IonicContact NH2-OE1 3.32Å; R364-E607 PolarHBondContact NH2-OE1 3.21Å; T605-E607 VanDerWaalsContact C-N 3.25Å; T605-E607 PolarHBondContact OG1-N 3.36Å; E607-D610 PolarHBondContact O-N 2.62Å; E607-S611 WeakPolarHBondContact O-CB 3.4Å; E607-S611 PolarHBondContact O-N 3Å
608	D	86.6	Confident	85.5	Confident	63 Å²	63	40.6 Å²	40.6	34%	0.337	20%	0.203	S	C	.	.	H	α-helix	trans	-64.8	-41.6	170.9	-73.6	-62	0	0	0	112.1	C603 T605 Q606 S611 W612	C603-D608 HydrophobicContact CB-CB 3.5Å; T605-D608 VanDerWaalsContact OG1-CG 3.31Å; T605-D608 PolarHBondContact OG1-N 2.95Å; T605-D608 PolarHBondContact OG1-OD2 3Å; Q606-D608 VanDerWaalsContact C-N 3.34Å; Q606-D608 PolarHBondContact O-N 3.2Å; D608-S611 PolarHBondContact O-N 3.4Å; D608-W612 WeakPolarHBondContact O-CB 3.45Å; D608-W612 VanDerWaalsContact O-CD1 3.24Å; D608-W612 PolarHBondContact O-N 2.95Å
609	V	86.6	Confident	84.9	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-59.3	-50.7	174.8	168.7	0	0	0	0	110.4	H580 F582 C603 T605 Q606 S611 W612 K613	H580-V609 HydrophobicContact CB-CG2 3.65Å; F582-V609 HydrophobicContact CB-CG1 4.37Å; F582-V609 HydrophobicContact CD1-CB 4.4Å; F582-V609 HydrophobicContact CD1-CG1 3.8Å; F582-V609 HydrophobicContact CD1-CG2 4.14Å; F582-V609 HydrophobicContact CG-CG1 4.39Å; C603-V609 HydrophobicContact CB-CG2 3.8Å; T605-V609 PolarHBondContact O-N 3.37Å; Q606-V609 WeakPolarHBondContact O-CB 3.1Å; Q606-V609 PolarHBondContact O-N 3.27Å; V609-S611 VanDerWaalsContact C-N 3.32Å; V609-S611 PolarHBondContact O-N 3.34Å; V609-W612 PolarHBondContact O-N 3.15Å; V609-K613 HydrophobicContact CG1-CD 4.02Å; V609-K613 VanDerWaalsContact CG1-CE 3.43Å; V609-K613 HydrophobicContact CG1-CG 4.39Å; V609-K613 WeakPolarHBondContact O-CB 3.41Å; V609-K613 VanDerWaalsContact O-CG 3.32Å; V609-K613 WeakPolarHBondContact O-CG 3.46Å; V609-K613 PolarHBondContact O-N 2.82Å
610	D	83.4	Confident	84.3	Confident	55 Å²	55	40 Å²	40	29%	0.294	21%	0.213	S	C	.	.	H	α-helix	trans	-62.8	-40	180	-70.9	4.2	0	0	0	111.4	Q606 E607 K613 A614	Q606-D610 PolarHBondContact NE2-OD1 3.32Å; Q606-D610 PolarHBondContact O-N 2.87Å; E607-D610 PolarHBondContact O-N 2.62Å; D610-K613 PolarHBondContact O-N 2.64Å; D610-A614 WeakPolarHBondContact O-CB 3.47Å; D610-A614 PolarHBondContact O-N 2.96Å
611	S	82.4	Confident	84	Confident	24 Å²	24	37.6 Å²	37.6	17%	0.168	20%	0.202	C	C	.	.	H	α-helix	trans	-68.8	-35.7	176.9	-170.6	0	0	0	0	112.8	R519 E607 D608 V609 S615	R519-S611 PolarHBondContact NH1-O 3.16Å; R519-S611 VanDerWaalsContact NH1-O 3.14Å; R519-S611 PolarHBondContact NH1-OG 2.99Å; E607-S611 WeakPolarHBondContact O-CB 3.4Å; E607-S611 PolarHBondContact O-N 3Å; D608-S611 PolarHBondContact O-N 3.4Å; V609-S611 VanDerWaalsContact C-N 3.32Å; V609-S611 PolarHBondContact O-N 3.34Å; S611-S615 PolarHBondContact O-N 3.14Å; S611-S615 VanDerWaalsContact O-N 3.11Å; S611-S615 PolarHBondContact O-OG 3.47Å
612	W	91.4	Very high	83.4	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-70	-44.8	171.9	-88.6	109.7	0	0	0	111.5	R519 L523 F539 L541 F582 D608 V609 A614 S615 F616	R519-W612 HydrophobicContact CB-CZ3 4.17Å; R519-W612 HydrophobicContact CG-CE3 4.16Å; R519-W612 HydrophobicContact CG-CH2 3.81Å; R519-W612 HydrophobicContact CG-CZ2 4.23Å; R519-W612 HydrophobicContact CG-CZ3 3.77Å; L523-W612 HydrophobicContact CD1-CD2 3.9Å; L523-W612 HydrophobicContact CD1-CE3 4.1Å; L523-W612 HydrophobicContact CD1-CG 4.45Å; L523-W612 HydrophobicContact CD1-CH2 4.14Å; L523-W612 HydrophobicContact CD1-CZ2 3.91Å; L523-W612 HydrophobicContact CD1-CZ3 4.23Å; L523-W612 HydrophobicContact CD2-CD2 4.24Å; L523-W612 HydrophobicContact CD2-CG 4.11Å; L523-W612 HydrophobicContact CD2-CZ2 4.48Å; L523-W612 HydrophobicContact CG-CD2 4.24Å; L523-W612 HydrophobicContact CG-CZ2 3.83Å; F539-W612 HydrophobicContact CB-CH2 3.77Å; F539-W612 HydrophobicContact CB-CZ2 4.39Å; F539-W612 HydrophobicContact CB-CZ3 4.48Å; L541-W612 HydrophobicContact CB-CZ3 4.36Å; F582-W612 HydrophobicContact CE1-CB 4.24Å; F582-W612 HydrophobicContact CZ-CB 4.04Å; D608-W612 WeakPolarHBondContact O-CB 3.45Å; D608-W612 VanDerWaalsContact O-CD1 3.24Å; D608-W612 PolarHBondContact O-N 2.95Å; V609-W612 PolarHBondContact O-N 3.15Å; W612-A614 VanDerWaalsContact C-N 3.33Å; W612-A614 PolarHBondContact O-N 2.7Å; W612-S615 CarbonylContact O-C 3.53Å; W612-S615 WeakPolarHBondContact O-CA 3.46Å; W612-S615 VanDerWaalsContact O-CB 3.29Å; W612-S615 WeakPolarHBondContact O-CB 3.48Å; W612-S615 PolarHBondContact O-N 3.44Å; W612-F616 HydrophobicContact CE3-CE2 4.01Å; W612-F616 VanDerWaalsContact O-CD2 3.23Å; W612-F616 WeakPolarHBondContact O-CD2 3.44Å; W612-F616 PolarHBondContact O-N 3.08Å
613	K	88.1	Confident	83	Confident	25 Å²	25	45.2 Å²	45.2	11%	0.109	24%	0.238	C	C	.	.	H	α-helix	trans	-54.8	-46.6	172.3	-73.1	173.1	-179.2	175.9	0	111.6	L568 D570 V609 D610 S615 F616 L617	L568-K613 HydrophobicContact CD1-CB 4.37Å; L568-K613 HydrophobicContact CD1-CG 4.33Å; D570-K613 WeakPolarHBondContact OD1-CE 3.49Å; D570-K613 IonicContact OD1-NZ 2.7Å; D570-K613 PolarHBondContact OD1-NZ 3.14Å; D570-K613 IonicContact OD2-NZ 3.68Å; D570-K613 PolarHBondContact OD2-NZ 3.33Å; V609-K613 HydrophobicContact CG1-CD 4.02Å; V609-K613 VanDerWaalsContact CG1-CE 3.43Å; V609-K613 HydrophobicContact CG1-CG 4.39Å; V609-K613 WeakPolarHBondContact O-CB 3.41Å; V609-K613 VanDerWaalsContact O-CG 3.32Å; V609-K613 WeakPolarHBondContact O-CG 3.46Å; V609-K613 PolarHBondContact O-N 2.82Å; D610-K613 PolarHBondContact O-N 2.64Å; K613-S615 PolarHBondContact O-N 2.91Å; K613-F616 PolarHBondContact O-N 2.69Å; K613-L617 PolarHBondContact O-N 3.32Å
614	A	76.6	Confident	82.5	Confident	21 Å²	21	48.2 Å²	48.2	17%	0.174	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-32.2	174.4	0	0	0	0	0	112.7	F372 D610 W612 R618	F372-A614 HydrophobicContact CD2-CB 4.31Å; D610-A614 WeakPolarHBondContact O-CB 3.47Å; D610-A614 PolarHBondContact O-N 2.96Å; W612-A614 VanDerWaalsContact C-N 3.33Å; W612-A614 PolarHBondContact O-N 2.7Å; A614-R618 WeakPolarHBondContact O-CG 3.47Å; A614-R618 PolarHBondContact O-N 2.9Å
615	S	84.2	Confident	81.5	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.007	25%	0.247	C	C	.	.	H	α-helix	trans	-72.7	-39.3	175.4	-54.2	0	0	0	0	112.1	R519 L541 S611 W612 K613 R618 A619	R519-S615 WeakPolarHBondContact CD-OG 3.4Å; L541-S615 WeakPolarHBondContact CD2-O 3.48Å; S611-S615 PolarHBondContact O-N 3.14Å; S611-S615 VanDerWaalsContact O-N 3.11Å; S611-S615 PolarHBondContact O-OG 3.47Å; W612-S615 CarbonylContact O-C 3.53Å; W612-S615 WeakPolarHBondContact O-CA 3.46Å; W612-S615 VanDerWaalsContact O-CB 3.29Å; W612-S615 WeakPolarHBondContact O-CB 3.48Å; W612-S615 PolarHBondContact O-N 3.44Å; K613-S615 PolarHBondContact O-N 2.91Å; S615-R618 PolarHBondContact O-N 3.3Å; S615-A619 PolarHBondContact O-N 2.81Å
616	F	87.3	Confident	79.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.2	-38	172.5	-81.7	-68.8	0	0	0	112.7	L541 L546 L568 F582 I584 L601 W612 K613 R618 A619 G620 V621	L541-F616 HydrophobicContact CD1-CD1 3.93Å; L541-F616 HydrophobicContact CD1-CE1 3.76Å; L541-F616 HydrophobicContact CD2-CD1 3.96Å; L541-F616 HydrophobicContact CD2-CE1 4.17Å; L541-F616 HydrophobicContact CD2-CG 4.18Å; L546-F616 HydrophobicContact CB-CE1 4.43Å; L546-F616 HydrophobicContact CD1-CE1 3.79Å; L546-F616 HydrophobicContact CD1-CZ 3.6Å; L546-F616 HydrophobicContact CD2-CE1 3.88Å; L546-F616 HydrophobicContact CD2-CZ 3.68Å; L546-F616 HydrophobicContact CG-CE1 4.25Å; L546-F616 HydrophobicContact CG-CZ 4.22Å; L568-F616 HydrophobicContact CD1-CB 3.9Å; L568-F616 HydrophobicContact CD2-CB 4.25Å; L568-F616 HydrophobicContact CD2-CD2 4.05Å; L568-F616 HydrophobicContact CD2-CG 4.17Å; L568-F616 HydrophobicContact CG-CB 4.43Å; F582-F616 HydrophobicContact CE2-CD2 4.06Å; F582-F616 AromaticContact CE2-CE2 3.81Å; F582-F616 HydrophobicContact CE2-CE2 3.81Å; F582-F616 HydrophobicContact CZ-CD2 4.38Å; F582-F616 AromaticContact CZ-CE2 3.94Å; F582-F616 HydrophobicContact CZ-CE2 3.94Å; I584-F616 HydrophobicContact CD1-CD1 4.24Å; I584-F616 HydrophobicContact CD1-CE1 3.57Å; I584-F616 HydrophobicContact CD1-CE2 4Å; I584-F616 HydrophobicContact CD1-CZ 3.45Å; I584-F616 VanDerWaalsContact CD1-CZ 3.45Å; L601-F616 HydrophobicContact CD1-CZ 4.37Å; W612-F616 HydrophobicContact CE3-CE2 4.01Å; W612-F616 VanDerWaalsContact O-CD2 3.23Å; W612-F616 WeakPolarHBondContact O-CD2 3.44Å; W612-F616 PolarHBondContact O-N 3.08Å; K613-F616 PolarHBondContact O-N 2.69Å; F616-R618 PolarHBondContact O-N 2.83Å; F616-A619 CarbonylContact O-C 3.36Å; F616-A619 WeakPolarHBondContact O-CA 3.48Å; F616-A619 WeakPolarHBondContact O-CB 3.13Å; F616-A619 PolarHBondContact O-N 3.4Å; F616-G620 PolarHBondContact O-N 3.35Å; F616-V621 CarbonylContact C-O 3.55Å; F616-V621 HydrophobicContact CB-CB 4.19Å; F616-V621 HydrophobicContact CD1-CB 4.32Å; F616-V621 HydrophobicContact CD1-CG2 4.42Å; F616-V621 PolarHBondContact O-N 2.74Å
617	L	78.9	Confident	77.4	Confident	29 Å²	29	57.5 Å²	57.5	15%	0.152	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-43.4	171.8	-78.4	165.6	0	0	0	111.9	F372 V375 K613 A619 G620 V621 Y622	F372-L617 HydrophobicContact CD2-CD1 4.12Å; F372-L617 HydrophobicContact CE2-CD1 4.04Å; V375-L617 HydrophobicContact CG1-CD2 4.48Å; K613-L617 PolarHBondContact O-N 3.32Å; L617-A619 PolarHBondContact O-N 3.1Å; L617-G620 PolarHBondContact O-N 2.94Å; L617-V621 PolarHBondContact N-O 3.3Å; L617-Y622 HydrophobicContact CD2-CD1 3.55Å; L617-Y622 HydrophobicContact CD2-CE1 4.09Å; L617-Y622 HydrophobicContact CD2-CG 4.15Å
618	R	72.2	Confident	75.4	Confident	142 Å²	142	60 Å²	60	54%	0.536	30%	0.302	S	S	.	.	H	α-helix	trans	-61.3	-21.3	171.8	-68.1	-170.2	-55.4	-130.3	8.9	113.5	I518 A614 S615 F616	I518-R618 HydrophobicContact CG2-CB 3.92Å; I518-R618 PolarHBondContact O-NH2 2.8Å; A614-R618 WeakPolarHBondContact O-CG 3.47Å; A614-R618 PolarHBondContact O-N 2.9Å; S615-R618 PolarHBondContact O-N 3.3Å; F616-R618 PolarHBondContact O-N 2.83Å
619	A	76.4	Confident	72.9	Confident	10 Å²	10	65.2 Å²	65.2	8%	0.083	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	8.2	176.2	0	0	0	0	0	113.4	I518 L541 L563 S615 F616 L617	I518-A619 HydrophobicContact CD1-CB 3.64Å; L541-A619 HydrophobicContact CD1-CB 3.87Å; L541-A619 HydrophobicContact CD2-CB 4.18Å; L541-A619 HydrophobicContact CG-CB 4.16Å; L563-A619 HydrophobicContact CD1-CB 3.52Å; S615-A619 PolarHBondContact O-N 2.81Å; F616-A619 CarbonylContact O-C 3.36Å; F616-A619 WeakPolarHBondContact O-CA 3.48Å; F616-A619 WeakPolarHBondContact O-CB 3.13Å; F616-A619 PolarHBondContact O-N 3.4Å; L617-A619 PolarHBondContact O-N 3.1Å
620	G	77.4	Confident	70.2	Confident	40 Å²	40	71.9 Å²	71.9	41%	0.412	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	15.1	178.1	0	0	0	0	0	115.4	F616 L617 Y622	F616-G620 PolarHBondContact O-N 3.35Å; L617-G620 PolarHBondContact O-N 2.94Å; G620-Y622 WeakPolarHBondContact O-CD2 3.49Å; G620-Y622 WeakPolarHBondContact O-CE2 3.5Å
621	V	84.1	Confident	68	Low	0 Å²	0	78.3 Å²	78.3	0%	0	39%	0.389	C	S	.	.			trans	-101.7	112.6	174.3	-176	0	0	0	0	109.3	L563 L566 L568 F616 L617	L563-V621 HydrophobicContact CB-CG2 3.83Å; L563-V621 HydrophobicContact CD1-CG2 4.15Å; L563-V621 HydrophobicContact CD2-CG2 4.01Å; L563-V621 HydrophobicContact CG-CG2 4.19Å; L566-V621 HydrophobicContact CB-CG1 3.98Å; L566-V621 HydrophobicContact CB-CG2 4.27Å; L568-V621 HydrophobicContact CG-CG1 4.14Å; F616-V621 CarbonylContact C-O 3.55Å; F616-V621 HydrophobicContact CB-CB 4.19Å; F616-V621 HydrophobicContact CD1-CB 4.32Å; F616-V621 HydrophobicContact CD1-CG2 4.42Å; F616-V621 PolarHBondContact O-N 2.74Å; L617-V621 PolarHBondContact N-O 3.3Å
622	Y	80	Confident	65.5	Low	102 Å²	102	84.2 Å²	84.2	40%	0.4	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	152.9	-172.2	-60.7	-96.5	0	0	0	111.6	K567 L568 L617 G620	K567-Y622 CarbonylContact C-O 3.6Å; K567-Y622 WeakPolarHBondContact CA-O 3.42Å; K567-Y622 WeakPolarHBondContact CB-O 3.42Å; K567-Y622 WeakPolarHBondContact CG-O 3.34Å; L568-Y622 PolarHBondContact N-O 2.87Å; L617-Y622 HydrophobicContact CD2-CD1 3.55Å; L617-Y622 HydrophobicContact CD2-CE1 4.09Å; L617-Y622 HydrophobicContact CD2-CG 4.15Å; G620-Y622 WeakPolarHBondContact O-CD2 3.49Å; G620-Y622 WeakPolarHBondContact O-CE2 3.5Å
623	P	83.1	Confident	62.8	Low	64 Å²	64	88.1 Å²	88.1	42%	0.416	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	147.9	168.5	28.5	-34	0	0	0	112	L568	L568-P623 HydrophobicContact CB-CB 4.42Å; L568-P623 CarbonylContact O-C 3.54Å; L568-P623 WeakPolarHBondContact O-CA 3.44Å
624	E	79.9	Confident	60.1	Low	69 Å²	69	94.3 Å²	94.3	32%	0.322	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-63.3	147.7	159.9	-166.8	168.6	-134.2	0	0	109.8	K567 L568 R569 F585	K567-E624 HydrophobicContact CD-CB 4.47Å; L568-E624 PolarHBondContact O-N 3.27Å; R569-E624 IonicContact CZ-OE2 3.58Å; R569-E624 IonicContact NE-OE2 3.47Å; R569-E624 PolarHBondContact NE-OE2 3.44Å; R569-E624 VanDerWaalsContact NH2-CD 3.32Å; R569-E624 IonicContact NH2-OE1 3.52Å; R569-E624 PolarHBondContact NH2-OE1 2.93Å; R569-E624 VanDerWaalsContact NH2-OE1 3.15Å; R569-E624 IonicContact NH2-OE2 3.42Å; R569-E624 PolarHBondContact NH2-OE2 3.14Å; F585-E624 HydrophobicContact CE1-CB 3.99Å; F585-E624 HydrophobicContact CE1-CG 4.49Å; F585-E624 HydrophobicContact CZ-CB 3.98Å; F585-E624 HydrophobicContact CZ-CG 4.05Å; F585-E624 VanDerWaalsContact CZ-OE1 3.22Å; F585-E624 WeakPolarHBondContact CZ-OE1 3.25Å; F585-E624 WeakPolarHBondContact CZ-OE2 3.43Å
625	K	66.1	Low	58.1	Low	113 Å²	113	100 Å²	100	49%	0.491	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-94.1	131	174.7	-60.6	-168.5	177.3	-163	0	107.4	F379 Q627	F379-K625 PolarHBondContact O-NZ 3.04Å; K625-Q627 PolarHBondContact O-N 3.27Å
626	D	43.4	Very low	55.8	Low	162 Å²	162	106.2 Å²	106.2	87%	0.866	55%	0.549	S	S	*	.			trans	-59.5	103.1	176.6	-64.7	-53.4	0	0	0	110.3	H628	D626-H628 VanDerWaalsContact C-N 3.31Å; D626-H628 PolarHBondContact O-N 3.15Å; D626-H628 VanDerWaalsContact O-N 3.13Å
627	Q	40.3	Very low	53.3	Low	171 Å²	171	108.8 Å²	108.8	80%	0.799	58%	0.575	S	S	*	*			trans	-82.1	84.8	168.8	-70.1	-172	-8.4	0	0	107.9	K625 E629	K625-Q627 PolarHBondContact O-N 3.27Å; Q627-E629 PolarHBondContact O-N 3.33Å
628	H	34.2	Very low	51.2	Low	165 Å²	165	113.9 Å²	113.9	76%	0.764	60%	0.603	S	S	*	*			trans	-62	107	155.3	-97.2	-69.4	0	0	0	107.9	D626 N630	D626-H628 VanDerWaalsContact C-N 3.31Å; D626-H628 PolarHBondContact O-N 3.15Å; D626-H628 VanDerWaalsContact O-N 3.13Å; H628-N630 PolarHBondContact O-N 3.1Å
629	E	35.6	Very low	49.6	Very low	172 Å²	172	113 Å²	113	80%	0.804	61%	0.613	S	S	*	*			trans	-69.8	77.4	172.7	-67.3	-176.7	135.7	0	0	109.7	Q627 E631	Q627-E629 PolarHBondContact O-N 3.33Å; E629-E631 PolarHBondContact O-N 3.49Å
630	N	30.4	Very low	48	Very low	141 Å²	141	117.9 Å²	117.9	75%	0.754	64%	0.642	S	S	*	*			trans	-71.6	78.5	163.8	-79.8	8.6	0	0	0	108.9	H628 D632	H628-N630 PolarHBondContact O-N 3.1Å; N630-D632 PolarHBondContact O-N 3.24Å
631	E	35.7	Very low	46.3	Very low	190 Å²	190	119.4 Å²	119.4	89%	0.888	65%	0.646	S	S	*	*			trans	-67	81.2	159.2	-74	-157.2	125.6	0	0	109.4	E629	E629-E631 PolarHBondContact O-N 3.49Å
632	D	30.8	Very low	44.7	Very low	148 Å²	148	127.3 Å²	127.3	79%	0.791	69%	0.685	S	S	*	*			trans	-142.4	124.5	171.6	-132.7	-27	0	0	0	113.1	N630 M634	N630-D632 PolarHBondContact O-N 3.24Å; D632-M634 PolarHBondContact O-N 3.15Å
633	A	34.5	Very low	44.2	Very low	86 Å²	86	125.5 Å²	125.5	71%	0.711	68%	0.682	S	S	*	*			trans	39.7	60.5	164.4	0	0	0	0	0	119.4	I635	A633-I635 PolarHBondContact O-N 3.05Å
634	M	30.7	Very low	43.7	Very low	155 Å²	155	127 Å²	127	76%	0.764	69%	0.692	S	S	*	*			trans	-69.4	102.6	160.7	-176.1	171.3	178.5	0	0	110.7	D632	D632-M634 PolarHBondContact O-N 3.15Å
635	I	35.5	Very low	43.5	Very low	140 Å²	140	130 Å²	130	72%	0.718	71%	0.706	S	S	*	*			trans	-65.2	124.9	171.5	-59.8	175.6	0	0	0	108.9	A633 G637	A633-I635 PolarHBondContact O-N 3.05Å; I635-G637 VanDerWaalsContact C-N 3.32Å; I635-G637 PolarHBondContact O-N 3.45Å
636	P	36.2	Very low	44.2	Very low	131 Å²	131	125.3 Å²	125.3	85%	0.851	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	79.8	-177.9	31.5	-35.3	0	0	0	111.3
637	G	34.5	Very low	46	Very low	54 Å²	54	122.8 Å²	122.8	56%	0.557	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.4	-54.8	176.9	0	0	0	0	0	113.1	I635 T639	I635-G637 VanDerWaalsContact C-N 3.32Å; I635-G637 PolarHBondContact O-N 3.45Å; G637-T639 VanDerWaalsContact C-N 3.32Å; G637-T639 PolarHBondContact O-N 3.34Å
638	D	35	Very low	47.9	Very low	137 Å²	137	121.5 Å²	121.5	73%	0.733	66%	0.657	S	S	*	*			trans	-84.5	69.4	179.5	-92.8	-9.1	0	0	0	111.9	V640	D638-V640 PolarHBondContact O-N 2.92Å
639	T	37.3	Very low	50.2	Low	122 Å²	122	115.6 Å²	115.6	75%	0.748	63%	0.63	S	S	*	*			trans	-64.9	120.5	154.7	42.9	0	0	0	0	108.3	G637 S641	G637-T639 VanDerWaalsContact C-N 3.32Å; G637-T639 PolarHBondContact O-N 3.34Å; T639-S641 PolarHBondContact O-N 3.09Å
640	V	43.7	Very low	52.7	Low	114 Å²	114	108 Å²	108	69%	0.691	60%	0.595	S	S	*	*			trans	-58.9	113.9	169.9	178.1	0	0	0	0	107.2	D638 M642	D638-V640 PolarHBondContact O-N 2.92Å; V640-M642 PolarHBondContact O-N 3.21Å
641	S	42.3	Very low	55.3	Low	71 Å²	71	103 Å²	103	50%	0.497	57%	0.567	S	S	.	*			trans	-53.6	123.8	-175.8	-176.7	0	0	0	0	110.8	T639 D643	T639-S641 PolarHBondContact O-N 3.09Å; S641-D643 PolarHBondContact O-N 3.17Å
642	M	50.3	Low	57.7	Low	167 Å²	167	94.4 Å²	94.4	82%	0.823	53%	0.528	S	S	*	.			trans	-70.3	68.3	171.3	-71.9	-80.7	-176.8	0	0	109.8	V640 P644	V640-M642 PolarHBondContact O-N 3.21Å; M642-P644 WeakPolarHBondContact O-CD 3.27Å
643	D	67.9	Low	60.4	Low	64 Å²	64	87.4 Å²	87.4	34%	0.342	49%	0.49	S	S	.	.			trans	-102.8	102.9	168.4	173.7	12.9	0	0	0	109	S641 Q645 L646 E647	S641-D643 PolarHBondContact O-N 3.17Å; D643-Q645 PolarHBondContact O-N 2.79Å; D643-Q645 VanDerWaalsContact O-N 3.14Å; D643-Q645 WeakPolarHBondContact OD1-CA 3.48Å; D643-Q645 VanDerWaalsContact OD1-CB 3.26Å; D643-Q645 WeakPolarHBondContact OD1-CB 3.32Å; D643-Q645 PolarHBondContact OD1-N 3.25Å; D643-L646 HydrophobicContact CB-CB 3.94Å; D643-L646 PolarHBondContact O-N 2.88Å; D643-L646 VanDerWaalsContact O-N 3.12Å; D643-L646 PolarHBondContact OD1-N 3.33Å; D643-L646 VanDerWaalsContact OD2-CB 3.3Å; D643-L646 WeakPolarHBondContact OD2-CB 3.47Å; D643-L646 PolarHBondContact OD2-N 3.2Å; D643-E647 PolarHBondContact O-N 3.12Å
644	P	74.1	Confident	63	Low	96 Å²	96	84.4 Å²	84.4	62%	0.623	46%	0.461	S	S	*	.	H	α-helix	trans	-61.5	-21.1	178.9	-22.8	34.4	0	0	0	113.6	M642 R648	M642-P644 WeakPolarHBondContact O-CD 3.27Å; P644-R648 VanDerWaalsContact O-CB 3.32Å; P644-R648 WeakPolarHBondContact O-CB 3.15Å; P644-R648 PolarHBondContact O-N 3.34Å
645	Q	75.6	Confident	65.7	Low	130 Å²	130	77.9 Å²	77.9	61%	0.607	43%	0.429	S	S	*	.	H	α-helix	trans	-74.5	-44.3	175.2	-173.5	171.2	-46.1	0	0	110.7	D643 R648 Q649	D643-Q645 PolarHBondContact O-N 2.79Å; D643-Q645 VanDerWaalsContact O-N 3.14Å; D643-Q645 WeakPolarHBondContact OD1-CA 3.48Å; D643-Q645 VanDerWaalsContact OD1-CB 3.26Å; D643-Q645 WeakPolarHBondContact OD1-CB 3.32Å; D643-Q645 PolarHBondContact OD1-N 3.25Å; Q645-R648 PolarHBondContact O-N 2.98Å; Q645-Q649 WeakPolarHBondContact O-CG 3.48Å; Q645-Q649 PolarHBondContact O-N 3.19Å
646	L	81.1	Confident	68.2	Low	16 Å²	16	71.2 Å²	71.2	8%	0.084	39%	0.394	C	S	.	.	H	α-helix	trans	-62.4	-45.8	173.3	177.9	62.3	0	0	0	111.9	I392 D643 R648 Q649 V650	I392-L646 HydrophobicContact CB-CD1 4.2Å; I392-L646 HydrophobicContact CD1-CD1 4Å; I392-L646 HydrophobicContact CG2-CD1 3.72Å; D643-L646 HydrophobicContact CB-CB 3.94Å; D643-L646 PolarHBondContact O-N 2.88Å; D643-L646 VanDerWaalsContact O-N 3.12Å; D643-L646 PolarHBondContact OD1-N 3.33Å; D643-L646 VanDerWaalsContact OD2-CB 3.3Å; D643-L646 WeakPolarHBondContact OD2-CB 3.47Å; D643-L646 PolarHBondContact OD2-N 3.2Å; L646-R648 VanDerWaalsContact C-N 3.31Å; L646-R648 PolarHBondContact O-N 2.93Å; L646-Q649 PolarHBondContact O-N 3.41Å; L646-Q649 VanDerWaalsContact O-N 3.15Å; L646-V650 HydrophobicContact CD1-CG2 4.18Å; L646-V650 HydrophobicContact CG-CG2 4.38Å; L646-V650 WeakPolarHBondContact O-CG2 3.37Å; L646-V650 PolarHBondContact O-N 2.85Å
647	E	80.9	Confident	70.8	Confident	109 Å²	109	65 Å²	65	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-58.1	-44	177.1	-69.2	-170.1	143.9	0	0	111.8	D643 Q649 V650 E651	D643-E647 PolarHBondContact O-N 3.12Å; E647-Q649 PolarHBondContact O-N 2.97Å; E647-V650 PolarHBondContact O-N 3.43Å; E647-E651 PolarHBondContact O-N 3.31Å
648	R	80.5	Confident	73.3	Confident	144 Å²	144	65.3 Å²	65.3	54%	0.543	34%	0.343	S	S	.	.	H	α-helix	trans	-65.4	-35.8	176.4	-172.3	176.7	179.8	-173.1	-0.5	112.7	P644 Q645 L646 T652	P644-R648 VanDerWaalsContact O-CB 3.32Å; P644-R648 WeakPolarHBondContact O-CB 3.15Å; P644-R648 PolarHBondContact O-N 3.34Å; Q645-R648 PolarHBondContact O-N 2.98Å; L646-R648 VanDerWaalsContact C-N 3.31Å; L646-R648 PolarHBondContact O-N 2.93Å; R648-T652 WeakPolarHBondContact O-CB 3.46Å; R648-T652 PolarHBondContact O-N 3.4Å; R648-T652 PolarHBondContact O-OG1 3.43Å
649	Q	81.8	Confident	75.9	Confident	41 Å²	41	59.5 Å²	59.5	19%	0.192	31%	0.313	C	S	.	.	H	α-helix	trans	-66.8	-44.9	172.9	-74.4	-178.2	6.6	0	0	111.5	I392 Q645 L646 E647 E651 T652 I653	I392-Q649 HydrophobicContact CD1-CB 4.03Å; Q645-Q649 WeakPolarHBondContact O-CG 3.48Å; Q645-Q649 PolarHBondContact O-N 3.19Å; L646-Q649 PolarHBondContact O-N 3.41Å; L646-Q649 VanDerWaalsContact O-N 3.15Å; E647-Q649 PolarHBondContact O-N 2.97Å; Q649-E651 PolarHBondContact O-N 3.47Å; Q649-T652 PolarHBondContact O-N 3.07Å; Q649-I653 PolarHBondContact O-N 3.21Å
650	V	87.2	Confident	78.6	Confident	11 Å²	11	54 Å²	54	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-50.2	177.1	168.9	0	0	0	0	110.7	R385 I388 I392 L646 E647 I653 R654	R385-V650 HydrophobicContact CB-CG1 3.83Å; R385-V650 HydrophobicContact CG-CG1 3.84Å; I388-V650 HydrophobicContact CB-CG1 4.29Å; I388-V650 HydrophobicContact CG2-CB 4.18Å; I388-V650 HydrophobicContact CG2-CG1 4.1Å; I388-V650 HydrophobicContact CG2-CG2 4.09Å; I392-V650 HydrophobicContact CD1-CG2 3.69Å; L646-V650 HydrophobicContact CD1-CG2 4.18Å; L646-V650 HydrophobicContact CG-CG2 4.38Å; L646-V650 WeakPolarHBondContact O-CG2 3.37Å; L646-V650 PolarHBondContact O-N 2.85Å; E647-V650 PolarHBondContact O-N 3.43Å; V650-I653 PolarHBondContact O-N 2.88Å; V650-R654 WeakPolarHBondContact O-CB 3.28Å; V650-R654 PolarHBondContact O-N 3.49Å
651	E	85.6	Confident	80.8	Confident	37 Å²	37	49 Å²	49	17%	0.173	25%	0.248	C	C	.	.	H	α-helix	trans	-70.3	-33.5	-179.6	-171.4	54.2	-137.5	0	0	112.1	R385 T503 E647 Q649 R654 N655	R385-E651 IonicContact CZ-OE2 2.81Å; R385-E651 IonicContact NE-OE2 3.06Å; R385-E651 PolarHBondContact NE-OE2 2.95Å; R385-E651 IonicContact NH2-OE2 2.79Å; R385-E651 PolarHBondContact NH2-OE2 3.04Å; T503-E651 HydrophobicContact CG2-CG 4.3Å; E647-E651 PolarHBondContact O-N 3.31Å; Q649-E651 PolarHBondContact O-N 3.47Å; E651-R654 PolarHBondContact O-N 3.22Å; E651-R654 IonicContact OE1-CZ 3.08Å; E651-R654 IonicContact OE1-NE 2.72Å; E651-R654 PolarHBondContact OE1-NE 3.07Å; E651-R654 IonicContact OE1-NH2 3.47Å; E651-R654 VanDerWaalsContact OE2-CD 3.31Å; E651-R654 WeakPolarHBondContact OE2-CD 3.21Å; E651-R654 IonicContact OE2-NE 2.74Å; E651-R654 PolarHBondContact OE2-NE 3.4Å; E651-N655 PolarHBondContact O-N 3.34Å; E651-N655 VanDerWaalsContact O-N 3.07Å; E651-N655 PolarHBondContact O-ND2 2.86Å; E651-N655 PolarHBondContact OE1-ND2 3.06Å
652	T	85.6	Confident	83.1	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.055	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-46.7	172.2	-59.7	0	0	0	0	111.2	A499 Q500 R648 Q649 N655 L656	A499-T652 HydrophobicContact CB-CG2 4.09Å; Q500-T652 HydrophobicContact CG-CG2 3.8Å; R648-T652 WeakPolarHBondContact O-CB 3.46Å; R648-T652 PolarHBondContact O-N 3.4Å; R648-T652 PolarHBondContact O-OG1 3.43Å; Q649-T652 PolarHBondContact O-N 3.07Å; T652-N655 PolarHBondContact O-N 3.1Å; T652-L656 HydrophobicContact CG2-CD1 4.2Å; T652-L656 WeakPolarHBondContact O-CD1 3.46Å; T652-L656 WeakPolarHBondContact O-CG 3.43Å; T652-L656 PolarHBondContact O-N 3.45Å
653	I	88.1	Confident	85.1	Confident	2 Å²	2	42 Å²	42	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-66.5	-41	177	-71.1	157.9	0	0	0	110.8	I388 I392 A408 F409 Q649 V650 N655 L656 V657	I388-I653 HydrophobicContact CD1-CG2 4.17Å; I388-I653 HydrophobicContact CG1-CG2 4.07Å; I388-I653 HydrophobicContact CG2-CB 3.87Å; I388-I653 HydrophobicContact CG2-CD1 4.14Å; I388-I653 HydrophobicContact CG2-CG2 3.77Å; I392-I653 HydrophobicContact CD1-CD1 3.78Å; I392-I653 HydrophobicContact CG1-CD1 3.8Å; A408-I653 HydrophobicContact CB-CD1 3.77Å; F409-I653 HydrophobicContact CB-CG2 4.33Å; Q649-I653 PolarHBondContact O-N 3.21Å; V650-I653 PolarHBondContact O-N 2.88Å; I653-N655 VanDerWaalsContact C-N 3.33Å; I653-N655 PolarHBondContact O-N 3.06Å; I653-L656 PolarHBondContact O-N 3.38Å; I653-V657 HydrophobicContact CG2-CG2 3.96Å; I653-V657 WeakPolarHBondContact O-CG2 3.47Å; I653-V657 PolarHBondContact O-N 2.84Å
654	R	89.3	Confident	86.3	Confident	23 Å²	23	39 Å²	39	9%	0.087	20%	0.198	C	C	.	.	H	α-helix	trans	-52.7	-49.8	175.4	-163.5	-156.6	76.5	65.6	31.4	111.5	E381 L384 I388 V650 E651 L656 V657 D658	E381-R654 IonicContact OE1-CZ 3.04Å; E381-R654 IonicContact OE1-NE 3.12Å; E381-R654 IonicContact OE1-NH1 2.74Å; E381-R654 PolarHBondContact OE1-NH1 3.12Å; L384-R654 HydrophobicContact CD2-CG 4.37Å; I388-R654 HydrophobicContact CD1-CB 4.07Å; I388-R654 HydrophobicContact CD1-CG 4.45Å; V650-R654 WeakPolarHBondContact O-CB 3.28Å; V650-R654 PolarHBondContact O-N 3.49Å; E651-R654 PolarHBondContact O-N 3.22Å; E651-R654 IonicContact OE1-CZ 3.08Å; E651-R654 IonicContact OE1-NE 2.72Å; E651-R654 PolarHBondContact OE1-NE 3.07Å; E651-R654 IonicContact OE1-NH2 3.47Å; E651-R654 VanDerWaalsContact OE2-CD 3.31Å; E651-R654 WeakPolarHBondContact OE2-CD 3.21Å; E651-R654 IonicContact OE2-NE 2.74Å; E651-R654 PolarHBondContact OE2-NE 3.4Å; R654-L656 VanDerWaalsContact C-N 3.29Å; R654-L656 PolarHBondContact O-N 3.05Å; R654-V657 PolarHBondContact O-N 2.97Å; R654-D658 IonicContact CZ-OD2 2.68Å; R654-D658 IonicContact NH1-OD1 2.74Å; R654-D658 IonicContact NH1-OD2 2.72Å; R654-D658 PolarHBondContact NH1-OD2 3.19Å; R654-D658 IonicContact NH2-OD2 3.15Å; R654-D658 PolarHBondContact NH2-OD2 3.44Å; R654-D658 PolarHBondContact O-N 3.34Å
655	N	86.3	Confident	87.2	Confident	17 Å²	17	36 Å²	36	9%	0.091	18%	0.177	C	C	.	.	H	α-helix	trans	-65	-29.3	178.7	-73.7	-71.6	0	0	0	113.7	I494 A499 E651 T652 I653 S659	I494-N655 HydrophobicContact CD1-CB 4.28Å; I494-N655 WeakPolarHBondContact CD1-O 3.34Å; A499-N655 HydrophobicContact CB-CB 4.39Å; E651-N655 PolarHBondContact O-N 3.34Å; E651-N655 VanDerWaalsContact O-N 3.07Å; E651-N655 PolarHBondContact O-ND2 2.86Å; E651-N655 PolarHBondContact OE1-ND2 3.06Å; T652-N655 PolarHBondContact O-N 3.1Å; I653-N655 VanDerWaalsContact C-N 3.33Å; I653-N655 PolarHBondContact O-N 3.06Å; N655-S659 WeakPolarHBondContact O-CB 3.49Å; N655-S659 PolarHBondContact O-N 2.86Å
656	L	89.4	Confident	87.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-75.6	-42.9	174	-67.9	161.1	0	0	0	111.4	F409 F493 I494 F496 A499 T652 I653 R654 S659 Y660	F409-L656 HydrophobicContact CD2-CB 3.7Å; F409-L656 HydrophobicContact CE2-CB 3.75Å; F409-L656 WeakPolarHBondContact CE2-O 3.48Å; F493-L656 HydrophobicContact CE1-CD2 4.16Å; F493-L656 HydrophobicContact CE2-CB 4.49Å; F493-L656 HydrophobicContact CE2-CD2 4.09Å; F493-L656 HydrophobicContact CZ-CB 4.36Å; F493-L656 HydrophobicContact CZ-CD2 3.52Å; I494-L656 HydrophobicContact CD1-CD2 4.43Å; I494-L656 HydrophobicContact CG1-CD2 4.07Å; F496-L656 HydrophobicContact CD1-CD1 3.42Å; F496-L656 VanDerWaalsContact CD1-CD1 3.42Å; F496-L656 HydrophobicContact CE1-CD1 3.61Å; F496-L656 HydrophobicContact CG-CD1 4.12Å; F496-L656 HydrophobicContact CG-CD2 4.45Å; F496-L656 HydrophobicContact CZ-CD1 4.43Å; A499-L656 HydrophobicContact CB-CD1 4.31Å; A499-L656 HydrophobicContact CB-CD2 3.89Å; A499-L656 HydrophobicContact CB-CG 3.8Å; T652-L656 HydrophobicContact CG2-CD1 4.2Å; T652-L656 WeakPolarHBondContact O-CD1 3.46Å; T652-L656 WeakPolarHBondContact O-CG 3.43Å; T652-L656 PolarHBondContact O-N 3.45Å; I653-L656 PolarHBondContact O-N 3.38Å; R654-L656 VanDerWaalsContact C-N 3.29Å; R654-L656 PolarHBondContact O-N 3.05Å; L656-S659 PolarHBondContact O-N 2.92Å; L656-Y660 PolarHBondContact O-N 2.81Å
657	V	90.4	Very high	88.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.5	-51.6	174.9	173	0	0	0	0	110	F409 I412 V413 Q416 I653 R654 S659 Y660 I661	F409-V657 HydrophobicContact CD2-CG2 4.02Å; I412-V657 HydrophobicContact CB-CG2 4.15Å; I412-V657 HydrophobicContact CG2-CG1 4.05Å; I412-V657 HydrophobicContact CG2-CG2 3.68Å; V413-V657 HydrophobicContact CG2-CG2 4.15Å; Q416-V657 HydrophobicContact CG-CG1 4.48Å; I653-V657 HydrophobicContact CG2-CG2 3.96Å; I653-V657 WeakPolarHBondContact O-CG2 3.47Å; I653-V657 PolarHBondContact O-N 2.84Å; R654-V657 PolarHBondContact O-N 2.97Å; V657-S659 VanDerWaalsContact C-N 3.3Å; V657-S659 PolarHBondContact O-N 3.47Å; V657-Y660 PolarHBondContact O-N 2.99Å; V657-I661 HydrophobicContact CG1-CG1 4.05Å; V657-I661 WeakPolarHBondContact O-CB 3.32Å; V657-I661 VanDerWaalsContact O-CG1 3.32Å; V657-I661 WeakPolarHBondContact O-CG1 3.49Å; V657-I661 PolarHBondContact O-N 3Å
658	D	87.5	Confident	89.1	Confident	61 Å²	61	31.4 Å²	31.4	33%	0.326	16%	0.158	S	C	.	.	H	α-helix	trans	-52.1	-48.2	174.3	-76.3	10.3	0	0	0	111.7	R654 Y660 S662	R654-D658 IonicContact CZ-OD2 2.68Å; R654-D658 IonicContact NH1-OD1 2.74Å; R654-D658 IonicContact NH1-OD2 2.72Å; R654-D658 PolarHBondContact NH1-OD2 3.19Å; R654-D658 IonicContact NH2-OD2 3.15Å; R654-D658 PolarHBondContact NH2-OD2 3.44Å; R654-D658 PolarHBondContact O-N 3.34Å; D658-Y660 PolarHBondContact O-N 2.78Å; D658-S662 VanDerWaalsContact O-CB 3.24Å; D658-S662 WeakPolarHBondContact O-CB 3.3Å; D658-S662 PolarHBondContact O-N 2.98Å
659	S	89.3	Confident	89.6	Confident	15 Å²	15	29.2 Å²	29.2	11%	0.105	15%	0.149	C	C	.	.	H	α-helix	trans	-63.4	-40.1	-178.9	-173.5	0	0	0	0	112.5	I494 N655 L656 V657 I663	I494-S659 PolarHBondContact N-OG 2.94Å; N655-S659 WeakPolarHBondContact O-CB 3.49Å; N655-S659 PolarHBondContact O-N 2.86Å; L656-S659 PolarHBondContact O-N 2.92Å; V657-S659 VanDerWaalsContact C-N 3.3Å; V657-S659 PolarHBondContact O-N 3.47Å; S659-I663 WeakPolarHBondContact O-CD1 3.38Å; S659-I663 WeakPolarHBondContact O-CG1 3.36Å
660	Y	93.3	Very high	90.2	Very high	8 Å²	8	31.4 Å²	31.4	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-77.5	-43.5	-179.3	-161.5	-90.6	0	0	0	112	F409 V413 I417 I486 N487 F493 L656 V657 D658 S662 I663 V664	F409-Y660 HydrophobicContact CZ-CD2 4.32Å; F409-Y660 HydrophobicContact CZ-CG 4.2Å; V413-Y660 HydrophobicContact CG1-CD1 3.54Å; V413-Y660 HydrophobicContact CG1-CE1 3.99Å; V413-Y660 HydrophobicContact CG1-CG 4.4Å; V413-Y660 HydrophobicContact CG2-CD1 4.42Å; I417-Y660 HydrophobicContact CD1-CE1 4.26Å; I486-Y660 WeakPolarHBondContact CA-OH 3.42Å; I486-Y660 HydrophobicContact CG2-CD1 4.37Å; I486-Y660 HydrophobicContact CG2-CD2 3.96Å; I486-Y660 HydrophobicContact CG2-CE1 4.07Å; I486-Y660 HydrophobicContact CG2-CE2 3.64Å; I486-Y660 HydrophobicContact CG2-CG 4.32Å; N487-Y660 PolarHBondContact N-OH 2.84Å; F493-Y660 HydrophobicContact CD2-CD2 4.08Å; F493-Y660 HydrophobicContact CE2-CD2 4.2Å; L656-Y660 PolarHBondContact O-N 2.81Å; V657-Y660 PolarHBondContact O-N 2.99Å; D658-Y660 PolarHBondContact O-N 2.78Å; Y660-S662 VanDerWaalsContact C-N 3.26Å; Y660-S662 PolarHBondContact O-N 2.87Å; Y660-I663 WeakPolarHBondContact O-CA 3.46Å; Y660-I663 WeakPolarHBondContact O-CB 3.47Å; Y660-I663 PolarHBondContact O-N 2.95Å; Y660-V664 HydrophobicContact CD1-CG2 3.76Å; Y660-V664 HydrophobicContact CE1-CG2 3.46Å; Y660-V664 VanDerWaalsContact CE1-CG2 3.46Å; Y660-V664 PolarHBondContact O-N 2.8Å
661	I	91.1	Very high	90.6	Very high	9 Å²	9	33.8 Å²	33.8	5%	0.046	17%	0.174	C	C	.	.	H	α-helix	trans	-65.9	-30.3	178.1	-63.2	-60.1	0	0	0	111.4	F379 V413 Q416 I417 V657 I663 V664 N665	F379-I661 HydrophobicContact CE2-CG2 4.37Å; F379-I661 HydrophobicContact CZ-CG2 4.33Å; V413-I661 HydrophobicContact CG1-CD1 4.26Å; Q416-I661 HydrophobicContact CB-CD1 3.87Å; Q416-I661 HydrophobicContact CB-CG1 4.21Å; I417-I661 HydrophobicContact CD1-CD1 4.49Å; I417-I661 HydrophobicContact CG1-CD1 3.71Å; V657-I661 HydrophobicContact CG1-CG1 4.05Å; V657-I661 WeakPolarHBondContact O-CB 3.32Å; V657-I661 VanDerWaalsContact O-CG1 3.32Å; V657-I661 WeakPolarHBondContact O-CG1 3.49Å; V657-I661 PolarHBondContact O-N 3Å; I661-I663 VanDerWaalsContact C-N 3.33Å; I661-I663 PolarHBondContact O-N 2.91Å; I661-V664 PolarHBondContact O-N 2.87Å; I661-N665 VanDerWaalsContact O-CB 3.22Å; I661-N665 WeakPolarHBondContact O-CB 3.37Å; I661-N665 VanDerWaalsContact O-CG 3.25Å; I661-N665 PolarHBondContact O-N 2.99Å; I661-N665 PolarHBondContact O-ND2 3.17Å
662	S	89.4	Confident	91	Very high	74 Å²	74	32.2 Å²	32.2	52%	0.517	17%	0.167	S	C	.	.	H	α-helix	trans	-61.1	-39.3	169.4	-172.5	0	0	0	0	112.7	D658 Y660 K666	D658-S662 VanDerWaalsContact O-CB 3.24Å; D658-S662 WeakPolarHBondContact O-CB 3.3Å; D658-S662 PolarHBondContact O-N 2.98Å; Y660-S662 VanDerWaalsContact C-N 3.26Å; Y660-S662 PolarHBondContact O-N 2.87Å; S662-K666 WeakPolarHBondContact O-CB 3.28Å; S662-K666 PolarHBondContact O-N 3.22Å
663	I	92.7	Very high	91.6	Very high	16 Å²	16	32.3 Å²	32.3	8%	0.082	17%	0.168	C	C	.	.	H	α-helix	trans	-68.6	-48	176.2	-64.3	160.4	0	0	0	110.6	H490 D492 F493 S659 Y660 I661 N665 K666 S667	H490-I663 HydrophobicContact CB-CD1 4.44Å; D492-I663 HydrophobicContact CB-CD1 3.98Å; D492-I663 HydrophobicContact CB-CG1 3.86Å; F493-I663 HydrophobicContact CB-CD1 3.8Å; F493-I663 HydrophobicContact CD2-CD1 4.38Å; S659-I663 WeakPolarHBondContact O-CD1 3.38Å; S659-I663 WeakPolarHBondContact O-CG1 3.36Å; Y660-I663 WeakPolarHBondContact O-CA 3.46Å; Y660-I663 WeakPolarHBondContact O-CB 3.47Å; Y660-I663 PolarHBondContact O-N 2.95Å; I661-I663 VanDerWaalsContact C-N 3.33Å; I661-I663 PolarHBondContact O-N 2.91Å; I663-N665 VanDerWaalsContact C-N 3.33Å; I663-N665 PolarHBondContact O-N 2.9Å; I663-K666 CarbonylContact O-C 3.53Å; I663-K666 WeakPolarHBondContact O-CA 3.48Å; I663-K666 WeakPolarHBondContact O-CB 3.29Å; I663-K666 PolarHBondContact O-N 2.72Å; I663-S667 PolarHBondContact O-N 3.15Å
664	V	93.8	Very high	92	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-41.8	176.9	-178.5	0	0	0	0	110.7	I417 L420 E482 Y660 I661 K666 S667 I668	I417-V664 HydrophobicContact CD1-CG2 4.01Å; I417-V664 HydrophobicContact CG1-CG1 4.3Å; I417-V664 HydrophobicContact CG1-CG2 4.36Å; L420-V664 HydrophobicContact CD1-CG1 3.61Å; E482-V664 HydrophobicContact CB-CG1 4.4Å; E482-V664 HydrophobicContact CG-CG1 4.25Å; Y660-V664 HydrophobicContact CD1-CG2 3.76Å; Y660-V664 HydrophobicContact CE1-CG2 3.46Å; Y660-V664 VanDerWaalsContact CE1-CG2 3.46Å; Y660-V664 PolarHBondContact O-N 2.8Å; I661-V664 PolarHBondContact O-N 2.87Å; V664-K666 VanDerWaalsContact C-N 3.25Å; V664-K666 PolarHBondContact O-N 3.17Å; V664-S667 WeakPolarHBondContact O-CB 3.5Å; V664-S667 PolarHBondContact O-N 3.44Å; V664-I668 HydrophobicContact CG1-CG1 3.97Å; V664-I668 WeakPolarHBondContact O-CB 3.34Å; V664-I668 WeakPolarHBondContact O-CG1 3.3Å; V664-I668 PolarHBondContact O-N 3.31Å
665	N	91.3	Very high	92.4	Very high	34 Å²	34	37.2 Å²	37.2	18%	0.182	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-27.7	173.9	-76.7	-20.6	0	0	0	112.7	L420 I661 I663 R669	L420-N665 WeakPolarHBondContact CD2-OD1 3.37Å; I661-N665 VanDerWaalsContact O-CB 3.22Å; I661-N665 WeakPolarHBondContact O-CB 3.37Å; I661-N665 VanDerWaalsContact O-CG 3.25Å; I661-N665 PolarHBondContact O-N 2.99Å; I661-N665 PolarHBondContact O-ND2 3.17Å; I663-N665 VanDerWaalsContact C-N 3.33Å; I663-N665 PolarHBondContact O-N 2.9Å; N665-R669 WeakPolarHBondContact O-CB 3.37Å; N665-R669 VanDerWaalsContact O-CG 3.26Å; N665-R669 WeakPolarHBondContact O-CG 3.27Å; N665-R669 PolarHBondContact O-N 2.75Å; N665-R669 PolarHBondContact O-NE 3.37Å
666	K	91.2	Very high	92.9	Very high	115 Å²	115	36.4 Å²	36.4	50%	0.5	19%	0.187	S	C	.	.	H	α-helix	trans	-73.8	-44.3	172.5	179.2	-178.7	170.8	-175.2	0	111	D492 S662 I663 V664 D670	D492-K666 IonicContact OD1-NZ 3.16Å; D492-K666 IonicContact OD2-NZ 2.7Å; D492-K666 PolarHBondContact OD2-NZ 2.97Å; S662-K666 WeakPolarHBondContact O-CB 3.28Å; S662-K666 PolarHBondContact O-N 3.22Å; I663-K666 CarbonylContact O-C 3.53Å; I663-K666 WeakPolarHBondContact O-CA 3.48Å; I663-K666 WeakPolarHBondContact O-CB 3.29Å; I663-K666 PolarHBondContact O-N 2.72Å; V664-K666 VanDerWaalsContact C-N 3.25Å; V664-K666 PolarHBondContact O-N 3.17Å; K666-D670 PolarHBondContact O-N 2.78Å
667	S	93.6	Very high	93.3	Very high	40 Å²	40	39.7 Å²	39.7	28%	0.28	20%	0.203	S	C	.	.	H	α-helix	trans	-56.1	-59.5	172.2	173.9	0	0	0	0	111.7	E482 I663 V664 R669 D670 L671	E482-S667 VanDerWaalsContact OE1-CB 3.31Å; E482-S667 WeakPolarHBondContact OE1-CB 3.35Å; E482-S667 PolarHBondContact OE1-OG 3.1Å; I663-S667 PolarHBondContact O-N 3.15Å; V664-S667 WeakPolarHBondContact O-CB 3.5Å; V664-S667 PolarHBondContact O-N 3.44Å; S667-R669 PolarHBondContact O-N 2.98Å; S667-D670 PolarHBondContact O-N 3.26Å; S667-D670 VanDerWaalsContact O-N 3.1Å; S667-L671 WeakPolarHBondContact O-CB 3.44Å; S667-L671 PolarHBondContact O-N 3.23Å
668	I	93.8	Very high	93.6	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-38	-175.3	-68	-65.1	0	0	0	112.6	F370 L420 I479 V664 D670 M672	F370-I668 HydrophobicContact CE1-CG2 4.29Å; F370-I668 HydrophobicContact CZ-CG2 3.82Å; L420-I668 HydrophobicContact CD1-CG1 4.38Å; I479-I668 HydrophobicContact CG1-CD1 4.2Å; V664-I668 HydrophobicContact CG1-CG1 3.97Å; V664-I668 WeakPolarHBondContact O-CB 3.34Å; V664-I668 WeakPolarHBondContact O-CG1 3.3Å; V664-I668 PolarHBondContact O-N 3.31Å; I668-D670 VanDerWaalsContact C-N 3.3Å; I668-D670 PolarHBondContact O-N 2.81Å; I668-M672 HydrophobicContact CG2-CG 3.84Å; I668-M672 WeakPolarHBondContact O-CB 3.49Å; I668-M672 VanDerWaalsContact O-CG 3.25Å; I668-M672 WeakPolarHBondContact O-CG 3.4Å; I668-M672 PolarHBondContact O-N 3.44Å
669	R	92.1	Very high	94.1	Very high	97 Å²	97	45.3 Å²	45.3	37%	0.366	23%	0.228	S	C	.	.	H	α-helix	trans	-65.9	-28.8	176.2	-80.4	179.7	-65.3	178.1	-1.2	114	F370 P371 L374 N665 S667 P673	F370-R669 HydrophobicContact CE1-CG 4.49Å; P371-R669 HydrophobicContact CG-CG 4.48Å; L374-R669 HydrophobicContact CD1-CG 3.47Å; L374-R669 VanDerWaalsContact CD1-CG 3.47Å; N665-R669 WeakPolarHBondContact O-CB 3.37Å; N665-R669 VanDerWaalsContact O-CG 3.26Å; N665-R669 WeakPolarHBondContact O-CG 3.27Å; N665-R669 PolarHBondContact O-N 2.75Å; N665-R669 PolarHBondContact O-NE 3.37Å; S667-R669 PolarHBondContact O-N 2.98Å; R669-P673 VanDerWaalsContact O-CD 3.27Å; R669-P673 WeakPolarHBondContact O-CD 3.37Å
670	D	92.8	Very high	94.4	Very high	87 Å²	87	44.6 Å²	44.6	47%	0.465	22%	0.223	S	C	.	.	H	α-helix	trans	-86.4	-39.3	177.8	175.1	77.7	0	0	0	112	K666 S667 I668 K674	K666-D670 PolarHBondContact O-N 2.78Å; S667-D670 PolarHBondContact O-N 3.26Å; S667-D670 VanDerWaalsContact O-N 3.1Å; I668-D670 VanDerWaalsContact C-N 3.3Å; I668-D670 PolarHBondContact O-N 2.81Å; D670-K674 WeakPolarHBondContact O-CD 3.5Å; D670-K674 WeakPolarHBondContact O-CE 3.3Å; D670-K674 WeakPolarHBondContact O-CG 3.33Å; D670-K674 VanDerWaalsContact OD1-CE 3.28Å; D670-K674 WeakPolarHBondContact OD1-CE 3.48Å; D670-K674 IonicContact OD1-NZ 2.76Å; D670-K674 PolarHBondContact OD1-NZ 3.35Å; D670-K674 WeakPolarHBondContact OD2-CE 3.41Å; D670-K674 IonicContact OD2-NZ 2.84Å; D670-K674 PolarHBondContact OD2-NZ 3.11Å
671	L	95.4	Very high	94.6	Very high	62 Å²	62	44.3 Å²	44.3	33%	0.325	22%	0.222	S	C	.	.	H	α-helix	trans	-81	-37.7	-173.1	-160.4	61.6	0	0	0	113	L478 S667 K674 T675	L478-L671 HydrophobicContact CD1-CD2 3.87Å; L478-L671 HydrophobicContact CD1-CG 4.11Å; L478-L671 HydrophobicContact CD2-CD2 3.76Å; L478-L671 HydrophobicContact CG-CD2 4.34Å; S667-L671 WeakPolarHBondContact O-CB 3.44Å; S667-L671 PolarHBondContact O-N 3.23Å; L671-K674 WeakPolarHBondContact O-CB 3.31Å; L671-K674 PolarHBondContact O-N 3.43Å; L671-K674 VanDerWaalsContact O-N 3.1Å; L671-T675 PolarHBondContact O-N 3.25Å; L671-T675 PolarHBondContact O-OG1 2.76Å
672	M	95.6	Very high	94.9	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.015	24%	0.236	C	C	.	.	H	α-helix	trans	-56.9	-50.3	-178.7	-81.6	-68	-58.8	0	0	114.1	F370 C424 C427 I428 V475 I668 K674 T675 I676	F370-M672 HydrophobicContact CD1-CB 4.45Å; F370-M672 HydrophobicContact CE1-CB 3.65Å; F370-M672 HydrophobicContact CE1-CG 3.83Å; F370-M672 HydrophobicContact CZ-CB 4.06Å; F370-M672 HydrophobicContact CZ-CG 3.73Å; C424-M672 HydrophobicContact CB-CE 3.69Å; C424-M672 HydrophobicContact CB-SD 3.89Å; C424-M672 WeakPolarHBondContact O-CE 3.13Å; C427-M672 HydrophobicContact CB-CE 4.43Å; I428-M672 HydrophobicContact CD1-CE 4.46Å; I428-M672 HydrophobicContact CG1-CE 4.2Å; V475-M672 HydrophobicContact CB-SD 4.03Å; V475-M672 HydrophobicContact CG1-CE 3.84Å; V475-M672 HydrophobicContact CG1-SD 3.4Å; V475-M672 WeakPolarHBondContact CG1-SD 3.25Å; V475-M672 HydrophobicContact CG2-CE 3.89Å; V475-M672 HydrophobicContact CG2-SD 3.44Å; V475-M672 WeakPolarHBondContact CG2-SD 3.25Å; I668-M672 HydrophobicContact CG2-CG 3.84Å; I668-M672 WeakPolarHBondContact O-CB 3.49Å; I668-M672 VanDerWaalsContact O-CG 3.25Å; I668-M672 WeakPolarHBondContact O-CG 3.4Å; I668-M672 PolarHBondContact O-N 3.44Å; M672-K674 VanDerWaalsContact C-N 3.26Å; M672-K674 PolarHBondContact O-N 2.99Å; M672-T675 PolarHBondContact O-N 3.45Å; M672-I676 HydrophobicContact CE-CD1 3.94Å; M672-I676 WeakPolarHBondContact O-CG1 3.41Å; M672-I676 PolarHBondContact O-N 3.44Å; M672-I676 VanDerWaalsContact O-N 3.14Å
673	P	96.4	Very high	95.3	Very high	12 Å²	12	46 Å²	46	8%	0.078	23%	0.225	C	C	.	.	H	α-helix	trans	-58	-38.7	174.8	-26.1	36.5	0	0	0	112.6	F366 R669 I676 M677	F366-P673 HydrophobicContact CB-CB 4.08Å; F366-P673 HydrophobicContact CB-CG 3.89Å; F366-P673 HydrophobicContact CD1-CB 3.94Å; F366-P673 HydrophobicContact CD1-CG 4.06Å; F366-P673 HydrophobicContact CD2-CB 3.89Å; F366-P673 HydrophobicContact CE1-CB 4.3Å; F366-P673 HydrophobicContact CE2-CB 4.25Å; F366-P673 HydrophobicContact CG-CB 3.72Å; F366-P673 HydrophobicContact CG-CG 3.97Å; F366-P673 HydrophobicContact CZ-CB 4.45Å; R669-P673 VanDerWaalsContact O-CD 3.27Å; R669-P673 WeakPolarHBondContact O-CD 3.37Å; P673-I676 PolarHBondContact O-N 3.27Å; P673-M677 VanDerWaalsContact O-CB 3.26Å; P673-M677 WeakPolarHBondContact O-CB 3.32Å; P673-M677 WeakPolarHBondContact O-CG 3.29Å; P673-M677 PolarHBondContact O-N 3.16Å
674	K	97.3	Very high	95.5	Very high	110 Å²	110	45.2 Å²	45.2	48%	0.478	22%	0.222	S	C	.	.	H	α-helix	trans	-67.8	-42.2	-178.6	-64.1	172.8	-170.8	175	0	111.9	D670 L671 M672 H678	D670-K674 WeakPolarHBondContact O-CD 3.5Å; D670-K674 WeakPolarHBondContact O-CE 3.3Å; D670-K674 WeakPolarHBondContact O-CG 3.33Å; D670-K674 VanDerWaalsContact OD1-CE 3.28Å; D670-K674 WeakPolarHBondContact OD1-CE 3.48Å; D670-K674 IonicContact OD1-NZ 2.76Å; D670-K674 PolarHBondContact OD1-NZ 3.35Å; D670-K674 WeakPolarHBondContact OD2-CE 3.41Å; D670-K674 IonicContact OD2-NZ 2.84Å; D670-K674 PolarHBondContact OD2-NZ 3.11Å; L671-K674 WeakPolarHBondContact O-CB 3.31Å; L671-K674 PolarHBondContact O-N 3.43Å; L671-K674 VanDerWaalsContact O-N 3.1Å; M672-K674 VanDerWaalsContact C-N 3.26Å; M672-K674 PolarHBondContact O-N 2.99Å; K674-H678 VanDerWaalsContact O-CB 3.31Å; K674-H678 WeakPolarHBondContact O-CB 3.26Å; K674-H678 PolarHBondContact O-N 3.02Å
675	T	97.8	Very high	95.6	Very high	17 Å²	17	46.8 Å²	46.8	10%	0.104	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-44.9	176	-58.2	0	0	0	0	111.5	Q474 V475 L478 L671 M672 H678 L679	Q474-T675 HydrophobicContact CB-CG2 4.33Å; Q474-T675 HydrophobicContact CG-CG2 3.83Å; V475-T675 HydrophobicContact CG2-CG2 3.91Å; L478-T675 HydrophobicContact CD1-CG2 4.38Å; L478-T675 WeakPolarHBondContact CD1-OG1 3.26Å; L671-T675 PolarHBondContact O-N 3.25Å; L671-T675 PolarHBondContact O-OG1 2.76Å; M672-T675 PolarHBondContact O-N 3.45Å; T675-H678 PolarHBondContact O-N 3.06Å; T675-L679 HydrophobicContact CG2-CD1 3.98Å; T675-L679 WeakPolarHBondContact O-CB 3.34Å; T675-L679 PolarHBondContact O-N 3.46Å
676	I	97.9	Very high	95.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.5	-44.4	178.7	-62.4	166.6	0	0	0	111	F366 I428 V431 T471 M672 P673 H678 M680 I681	F366-I676 HydrophobicContact CE1-CB 4.02Å; F366-I676 HydrophobicContact CE1-CD1 3.81Å; F366-I676 HydrophobicContact CE1-CG2 4.04Å; F366-I676 HydrophobicContact CZ-CB 3.98Å; F366-I676 HydrophobicContact CZ-CG2 3.83Å; I428-I676 HydrophobicContact CG1-CD1 3.73Å; I428-I676 HydrophobicContact CG1-CG1 4.02Å; V431-I676 HydrophobicContact CB-CG2 4.26Å; V431-I676 HydrophobicContact CG1-CG2 3.8Å; V431-I676 HydrophobicContact CG2-CG2 4.43Å; T471-I676 HydrophobicContact CG2-CB 4.5Å; T471-I676 HydrophobicContact CG2-CG1 3.87Å; M672-I676 HydrophobicContact CE-CD1 3.94Å; M672-I676 WeakPolarHBondContact O-CG1 3.41Å; M672-I676 PolarHBondContact O-N 3.44Å; M672-I676 VanDerWaalsContact O-N 3.14Å; P673-I676 PolarHBondContact O-N 3.27Å; I676-H678 VanDerWaalsContact C-N 3.32Å; I676-H678 PolarHBondContact O-N 3.44Å; I676-M680 HydrophobicContact CG2-CB 4.41Å; I676-M680 HydrophobicContact CG2-SD 4.42Å; I676-M680 VanDerWaalsContact O-CB 3.31Å; I676-M680 WeakPolarHBondContact O-CB 3.41Å; I676-M680 PolarHBondContact O-N 3.38Å; I676-I681 HydrophobicContact CG2-CD1 4.37Å; I676-I681 PolarHBondContact O-N 3.21Å
677	M	96.9	Very high	96.2	Very high	69 Å²	69	44.3 Å²	44.3	34%	0.34	22%	0.22	S	C	.	.	I	π-helix	trans	-56.3	-45.5	174.5	-78.6	-63.8	-57.3	0	0	111.7	F366 P673 I681 N682	F366-M677 HydrophobicContact CE2-CG 3.95Å; F366-M677 HydrophobicContact CE2-SD 4.02Å; F366-M677 HydrophobicContact CZ-CG 4.38Å; P673-M677 VanDerWaalsContact O-CB 3.26Å; P673-M677 WeakPolarHBondContact O-CB 3.32Å; P673-M677 WeakPolarHBondContact O-CG 3.29Å; P673-M677 PolarHBondContact O-N 3.16Å; M677-I681 HydrophobicContact CE-CG2 4.24Å; M677-I681 HydrophobicContact CG-CD1 4.5Å; M677-I681 PolarHBondContact O-N 3.49Å; M677-I681 HydrophobicContact SD-CB 4.22Å; M677-I681 HydrophobicContact SD-CD1 3.49Å; M677-I681 WeakPolarHBondContact SD-CD1 3.39Å; M677-I681 HydrophobicContact SD-CG1 4.45Å; M677-I681 HydrophobicContact SD-CG2 4.25Å; M677-N682 VanDerWaalsContact O-CB 3.29Å; M677-N682 WeakPolarHBondContact O-CB 3.46Å; M677-N682 PolarHBondContact O-N 3.26Å; M677-N682 PolarHBondContact O-OD1 2.97Å
678	H	97.3	Very high	96.3	Very high	129 Å²	129	42.6 Å²	42.6	60%	0.597	21%	0.208	S	C	*	.	I	π-helix	trans	-72.6	-54.3	-177.4	-178.6	51.6	0	0	0	113.4	K674 T675 I676	K674-H678 VanDerWaalsContact O-CB 3.31Å; K674-H678 WeakPolarHBondContact O-CB 3.26Å; K674-H678 PolarHBondContact O-N 3.02Å; T675-H678 PolarHBondContact O-N 3.06Å; I676-H678 VanDerWaalsContact C-N 3.32Å; I676-H678 PolarHBondContact O-N 3.44Å
679	L	97.3	Very high	96.4	Very high	50 Å²	50	46.8 Å²	46.8	26%	0.262	23%	0.227	S	C	.	.	I	π-helix	trans	-81.8	-24	-170.6	-64.9	-176.9	0	0	0	114.2	R467 Q474 T675	R467-L679 WeakPolarHBondContact CD-O 3.3Å; Q474-L679 HydrophobicContact CB-CD1 3.69Å; Q474-L679 HydrophobicContact CG-CD1 3.78Å; T675-L679 HydrophobicContact CG2-CD1 3.98Å; T675-L679 WeakPolarHBondContact O-CB 3.34Å; T675-L679 PolarHBondContact O-N 3.46Å
680	M	96.7	Very high	96.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-113	-62	-176	-172.5	-178.5	-65.7	0	0	112.3	I428 V431 I432 L435 R467 T471 I676 T684	I428-M680 HydrophobicContact CG2-CE 3.7Å; V431-M680 HydrophobicContact CG1-SD 4.4Å; I432-M680 HydrophobicContact CD1-CE 3.81Å; I432-M680 HydrophobicContact CD1-SD 4.46Å; I432-M680 HydrophobicContact CG1-CE 3.54Å; I432-M680 HydrophobicContact CG1-SD 3.54Å; I432-M680 VanDerWaalsContact CG1-SD 3.54Å; L435-M680 HydrophobicContact CD2-CG 3.88Å; L435-M680 HydrophobicContact CD2-SD 4.22Å; R467-M680 HydrophobicContact CB-CB 4.31Å; R467-M680 HydrophobicContact CB-CG 4.12Å; T471-M680 HydrophobicContact CG2-CE 4.31Å; I676-M680 HydrophobicContact CG2-CB 4.41Å; I676-M680 HydrophobicContact CG2-SD 4.42Å; I676-M680 VanDerWaalsContact O-CB 3.31Å; I676-M680 WeakPolarHBondContact O-CB 3.41Å; I676-M680 PolarHBondContact O-N 3.38Å; M680-T684 WeakPolarHBondContact O-CB 3.47Å; M680-T684 PolarHBondContact O-N 3.41Å; M680-T684 PolarHBondContact O-OG1 3.06Å
681	I	96.6	Very high	96.6	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	24%	0.236	C	C	.	.	I	π-helix	trans	-71.2	-55.5	-168.9	-64.6	166	0	0	0	110.8	I344 I362 F366 V431 L435 I676 M677 N683 T684 K685	I344-I681 HydrophobicContact CG2-CG2 3.75Å; I362-I681 HydrophobicContact CD1-CD1 4.35Å; I362-I681 HydrophobicContact CG2-CD1 3.82Å; F366-I681 HydrophobicContact CE2-CD1 4.41Å; F366-I681 HydrophobicContact CZ-CD1 4.19Å; V431-I681 HydrophobicContact CG1-CD1 3.96Å; V431-I681 HydrophobicContact CG1-CG1 4.38Å; L435-I681 HydrophobicContact CD1-CG1 4.43Å; I676-I681 HydrophobicContact CG2-CD1 4.37Å; I676-I681 PolarHBondContact O-N 3.21Å; M677-I681 HydrophobicContact CE-CG2 4.24Å; M677-I681 HydrophobicContact CG-CD1 4.5Å; M677-I681 PolarHBondContact O-N 3.49Å; M677-I681 HydrophobicContact SD-CB 4.22Å; M677-I681 HydrophobicContact SD-CD1 3.49Å; M677-I681 WeakPolarHBondContact SD-CD1 3.39Å; M677-I681 HydrophobicContact SD-CG1 4.45Å; M677-I681 HydrophobicContact SD-CG2 4.25Å; I681-N683 PolarHBondContact O-N 2.66Å; I681-T684 PolarHBondContact O-N 3.32Å; I681-K685 PolarHBondContact O-N 3.47Å
682	N	96.6	Very high	96.6	Very high	63 Å²	63	43.4 Å²	43.4	34%	0.337	22%	0.221	S	C	.	.	I	π-helix	trans	-62.4	-45.1	178.8	-67.4	1.3	0	0	0	110.9	M677 T684 K685 D686	M677-N682 VanDerWaalsContact O-CB 3.29Å; M677-N682 WeakPolarHBondContact O-CB 3.46Å; M677-N682 PolarHBondContact O-N 3.26Å; M677-N682 PolarHBondContact O-OD1 2.97Å; N682-T684 VanDerWaalsContact C-N 3.27Å; N682-T684 PolarHBondContact O-N 3.36Å; N682-K685 WeakPolarHBondContact O-CA 3.48Å; N682-K685 WeakPolarHBondContact O-CB 3.49Å; N682-K685 PolarHBondContact O-N 3.37Å; N682-K685 VanDerWaalsContact O-N 3.07Å; N682-D686 VanDerWaalsContact O-CG 3.24Å; N682-D686 PolarHBondContact O-N 2.84Å
683	N	97.7	Very high	96.5	Very high	55 Å²	55	45.6 Å²	45.6	29%	0.294	23%	0.232	S	C	.	.	H	α-helix	trans	-67.9	-24.6	179.3	-163.4	-115.1	0	0	0	113.8	H463 R467 I681 F687	H463-N683 PolarHBondContact NE2-O 3.35Å; R467-N683 WeakPolarHBondContact CD-OD1 3.42Å; R467-N683 PolarHBondContact NH1-OD1 3.34Å; I681-N683 PolarHBondContact O-N 2.66Å; N683-F687 VanDerWaalsContact O-CB 3.28Å; N683-F687 WeakPolarHBondContact O-CB 3.29Å; N683-F687 PolarHBondContact O-N 3.5Å
684	T	97.5	Very high	96.2	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-73.9	-40.7	169.1	-60.1	0	0	0	0	111	F340 V460 I464 M680 I681 N682 F687 I688	F340-T684 HydrophobicContact CE1-CG2 4.45Å; F340-T684 HydrophobicContact CZ-CG2 4.05Å; V460-T684 HydrophobicContact CG1-CG2 4.15Å; I464-T684 HydrophobicContact CD1-CG2 4.11Å; I464-T684 HydrophobicContact CG1-CG2 3.76Å; M680-T684 WeakPolarHBondContact O-CB 3.47Å; M680-T684 PolarHBondContact O-N 3.41Å; M680-T684 PolarHBondContact O-OG1 3.06Å; I681-T684 PolarHBondContact O-N 3.32Å; N682-T684 VanDerWaalsContact C-N 3.27Å; N682-T684 PolarHBondContact O-N 3.36Å; T684-F687 PolarHBondContact O-N 2.89Å; T684-I688 HydrophobicContact CG2-CD1 3.91Å; T684-I688 VanDerWaalsContact O-CG1 3.26Å; T684-I688 WeakPolarHBondContact O-CG1 3.49Å; T684-I688 PolarHBondContact O-N 2.78Å
685	K	96.1	Very high	96	Very high	34 Å²	34	48 Å²	48	15%	0.148	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-52.1	173.8	-170	172.4	78.7	153.6	0	111.1	F340 E341 E345 I681 N682 F687 I688 H689	F340-K685 HydrophobicContact CE1-CB 4.35Å; E341-K685 HydrophobicContact CB-CD 4.2Å; E341-K685 HydrophobicContact CG-CD 3.93Å; E341-K685 WeakPolarHBondContact OE1-CE 3.42Å; E341-K685 IonicContact OE1-NZ 2.73Å; E341-K685 PolarHBondContact OE1-NZ 3.1Å; E345-K685 IonicContact OE1-NZ 3.12Å; E345-K685 PolarHBondContact OE1-NZ 3.44Å; I681-K685 PolarHBondContact O-N 3.47Å; N682-K685 WeakPolarHBondContact O-CA 3.48Å; N682-K685 WeakPolarHBondContact O-CB 3.49Å; N682-K685 PolarHBondContact O-N 3.37Å; N682-K685 VanDerWaalsContact O-N 3.07Å; K685-F687 VanDerWaalsContact C-N 3.3Å; K685-F687 PolarHBondContact O-N 3.4Å; K685-I688 PolarHBondContact O-N 3.19Å; K685-I688 VanDerWaalsContact O-N 3.1Å; K685-H689 PolarHBondContact O-CD2 3.43Å; K685-H689 PolarHBondContact O-N 3.16Å; K685-H689 VanDerWaalsContact O-N 3.09Å
686	D	96.7	Very high	95.7	Very high	88 Å²	88	47.2 Å²	47.2	47%	0.471	25%	0.246	S	C	.	.	H	α-helix	trans	-56.2	-44.4	178.7	-63.3	-28.1	0	0	0	111.6	N682 H689 S690	N682-D686 VanDerWaalsContact O-CG 3.24Å; N682-D686 PolarHBondContact O-N 2.84Å; D686-H689 PolarHBondContact O-N 3.33Å; D686-S690 WeakPolarHBondContact O-CB 3.48Å; D686-S690 PolarHBondContact O-N 2.95Å; D686-S690 PolarHBondContact O-OG 3.16Å
687	F	97.8	Very high	95.1	Very high	9 Å²	9	51 Å²	51	4%	0.039	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-43.9	175.6	172.2	-95.4	0	0	0	112.8	I459 V460 H463 N683 T684 K685 H689 E691 L692 Y695	I459-F687 HydrophobicContact CG2-CE1 3.93Å; I459-F687 HydrophobicContact CG2-CZ 3.69Å; V460-F687 HydrophobicContact CG2-CE1 4.5Å; H463-F687 HydrophobicContact CB-CD1 3.99Å; H463-F687 HydrophobicContact CB-CE1 3.78Å; H463-F687 HydrophobicContact CB-CE2 4.46Å; H463-F687 HydrophobicContact CB-CG 4.43Å; H463-F687 HydrophobicContact CB-CZ 4.04Å; H463-F687 AromaticContact CD2-CD1 3.89Å; H463-F687 AromaticContact CD2-CG 3.82Å; H463-F687 AromaticContact CE1-CD2 3.55Å; H463-F687 AromaticContact CE1-CG 3.58Å; H463-F687 AromaticContact CG-CD1 3.78Å; H463-F687 AromaticContact CG-CG 3.77Å; H463-F687 AromaticContact ND1-CD2 3.49Å; H463-F687 WeakPolarHBondContact ND1-CD2 3.22Å; H463-F687 AromaticContact ND1-CE2 3.79Å; H463-F687 AromaticContact ND1-CG 3.68Å; H463-F687 WeakPolarHBondContact NE2-CB 3.1Å; H463-F687 AromaticContact NE2-CG 3.69Å; N683-F687 VanDerWaalsContact O-CB 3.28Å; N683-F687 WeakPolarHBondContact O-CB 3.29Å; N683-F687 PolarHBondContact O-N 3.5Å; T684-F687 PolarHBondContact O-N 2.89Å; K685-F687 VanDerWaalsContact C-N 3.3Å; K685-F687 PolarHBondContact O-N 3.4Å; F687-H689 VanDerWaalsContact C-N 3.34Å; F687-H689 PolarHBondContact O-N 3.46Å; F687-E691 HydrophobicContact CD2-CB 3.62Å; F687-E691 HydrophobicContact CD2-CG 4.35Å; F687-E691 HydrophobicContact CE2-CB 3.87Å; F687-E691 HydrophobicContact CG-CB 4.37Å; F687-E691 PolarHBondContact O-N 2.96Å; F687-L692 HydrophobicContact CE1-CB 4.43Å; F687-L692 PolarHBondContact O-N 3.22Å; F687-Y695 AromaticContact CE2-CD2 3.81Å; F687-Y695 HydrophobicContact CE2-CD2 3.81Å; F687-Y695 AromaticContact CE2-CE2 3.55Å; F687-Y695 HydrophobicContact CE2-CE2 3.55Å; F687-Y695 AromaticContact CZ-CD2 3.97Å; F687-Y695 HydrophobicContact CZ-CD2 3.97Å; F687-Y695 HydrophobicContact CZ-CE2 4.13Å
688	I	97.2	Very high	94.5	Very high	4 Å²	4	52 Å²	52	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-40.4	178.1	-72.4	166	0	0	0	111.6	F336 F340 V460 T684 K685 L692	F336-I688 HydrophobicContact CD1-CG2 3.96Å; F336-I688 HydrophobicContact CE1-CD1 4.18Å; F336-I688 HydrophobicContact CE1-CG1 4.18Å; F336-I688 HydrophobicContact CE1-CG2 3.74Å; F336-I688 HydrophobicContact CZ-CD1 4.45Å; F340-I688 HydrophobicContact CD1-CD1 3.56Å; F340-I688 HydrophobicContact CD2-CD1 4.14Å; F340-I688 HydrophobicContact CE1-CD1 3.61Å; F340-I688 HydrophobicContact CE2-CD1 4.18Å; F340-I688 HydrophobicContact CG-CD1 3.82Å; F340-I688 HydrophobicContact CZ-CD1 3.92Å; V460-I688 HydrophobicContact CG1-CD1 3.83Å; V460-I688 HydrophobicContact CG1-CG1 4.08Å; V460-I688 HydrophobicContact CG2-CD1 4.49Å; V460-I688 HydrophobicContact CG2-CG1 4.02Å; T684-I688 HydrophobicContact CG2-CD1 3.91Å; T684-I688 VanDerWaalsContact O-CG1 3.26Å; T684-I688 WeakPolarHBondContact O-CG1 3.49Å; T684-I688 PolarHBondContact O-N 2.78Å; K685-I688 PolarHBondContact O-N 3.19Å; K685-I688 VanDerWaalsContact O-N 3.1Å; I688-L692 HydrophobicContact CB-CD2 4.44Å; I688-L692 HydrophobicContact CG1-CD2 4.38Å; I688-L692 HydrophobicContact CG2-CD2 4.09Å
689	H	94.3	Very high	93.4	Very high	92 Å²	92	48.3 Å²	48.3	43%	0.426	27%	0.266	S	S	.	.	H	α-helix	trans	-82.1	-28.4	-179.3	-67.6	-77	0	0	0	114.4	G337 K685 D686 F687	G337-H689 VanDerWaalsContact C-CE1 3.48Å; K685-H689 PolarHBondContact O-CD2 3.43Å; K685-H689 PolarHBondContact O-N 3.16Å; K685-H689 VanDerWaalsContact O-N 3.09Å; D686-H689 PolarHBondContact O-N 3.33Å; F687-H689 VanDerWaalsContact C-N 3.34Å; F687-H689 PolarHBondContact O-N 3.46Å
690	S	94.1	Very high	91.9	Very high	86 Å²	86	48.2 Å²	48.2	60%	0.601	28%	0.278	S	S	*	.	H	α-helix	trans	-110.4	-31.9	-171	66.3	0	0	0	0	115.6	D686	D686-S690 WeakPolarHBondContact O-CB 3.48Å; D686-S690 PolarHBondContact O-N 2.95Å; D686-S690 PolarHBondContact O-OG 3.16Å
691	E	95.6	Very high	90.9	Very high	89 Å²	89	53.4 Å²	53.4	42%	0.416	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-39.6	-170.5	-77.6	-173.8	-130.9	0	0	113.5	F687 L693 A694 Y695	F687-E691 HydrophobicContact CD2-CB 3.62Å; F687-E691 HydrophobicContact CD2-CG 4.35Å; F687-E691 HydrophobicContact CE2-CB 3.87Å; F687-E691 HydrophobicContact CG-CB 4.37Å; F687-E691 PolarHBondContact O-N 2.96Å; E691-L693 PolarHBondContact O-N 3.33Å; E691-L693 VanDerWaalsContact O-N 3.08Å; E691-A694 WeakPolarHBondContact O-CA 3.3Å; E691-A694 WeakPolarHBondContact O-CB 3.48Å; E691-A694 PolarHBondContact O-N 3.34Å; E691-Y695 HydrophobicContact CB-CD2 4.17Å; E691-Y695 HydrophobicContact CB-CE2 4Å; E691-Y695 WeakPolarHBondContact O-CD2 3.35Å; E691-Y695 PolarHBondContact O-N 3.44Å; E691-Y695 VanDerWaalsContact O-N 3.13Å; E691-Y695 WeakPolarHBondContact OE2-CE2 3.38Å
692	L	95.7	Very high	89.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-48.7	-42.6	-174.1	171.5	62.3	0	0	0	113.7	V333 F336 T456 I459 V460 F687 I688 A694 Y695 L696	V333-L692 HydrophobicContact CG1-CD2 4.17Å; V333-L692 HydrophobicContact CG1-CG 4.29Å; F336-L692 HydrophobicContact CD1-CD2 3.79Å; F336-L692 HydrophobicContact CE1-CD2 3.65Å; T456-L692 HydrophobicContact CG2-CD2 4.23Å; I459-L692 HydrophobicContact CB-CD1 4.1Å; I459-L692 HydrophobicContact CG2-CD1 3.7Å; V460-L692 HydrophobicContact CG2-CD1 3.86Å; V460-L692 HydrophobicContact CG2-CD2 3.93Å; V460-L692 HydrophobicContact CG2-CG 4.49Å; F687-L692 HydrophobicContact CE1-CB 4.43Å; F687-L692 PolarHBondContact O-N 3.22Å; I688-L692 HydrophobicContact CB-CD2 4.44Å; I688-L692 HydrophobicContact CG1-CD2 4.38Å; I688-L692 HydrophobicContact CG2-CD2 4.09Å; L692-A694 VanDerWaalsContact C-N 3.33Å; L692-A694 PolarHBondContact O-N 3.47Å; L692-Y695 PolarHBondContact O-N 2.68Å; L692-L696 HydrophobicContact CD1-CD1 4.02Å; L692-L696 HydrophobicContact CD1-CG 4.2Å; L692-L696 HydrophobicContact CG-CD1 4.03Å; L692-L696 WeakPolarHBondContact O-CG 3.47Å; L692-L696 PolarHBondContact O-N 3.07Å
693	L	92.6	Very high	88.5	Confident	48 Å²	48	54.6 Å²	54.6	25%	0.251	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-40.6	177.9	-177.3	66.2	0	0	0	112.2	L329 L330 V333 E691 L696 Y697	L329-L693 HydrophobicContact CG-CD1 4.42Å; L330-L693 HydrophobicContact CD1-CD2 3.55Å; V333-L693 HydrophobicContact CB-CD1 4.17Å; V333-L693 HydrophobicContact CG1-CB 4.17Å; V333-L693 HydrophobicContact CG1-CD1 4.22Å; V333-L693 HydrophobicContact CG2-CD1 4.19Å; E691-L693 PolarHBondContact O-N 3.33Å; E691-L693 VanDerWaalsContact O-N 3.08Å; L693-L696 PolarHBondContact O-N 3.46Å; L693-Y697 HydrophobicContact CD1-CD2 4.15Å; L693-Y697 HydrophobicContact CD1-CE2 3.66Å; L693-Y697 HydrophobicContact CD2-CE2 4.17Å; L693-Y697 HydrophobicContact CG-CD2 3.94Å; L693-Y697 HydrophobicContact CG-CE2 3.67Å; L693-Y697 WeakPolarHBondContact O-CD2 3.44Å; L693-Y697 PolarHBondContact O-N 2.98Å
694	A	91.6	Very high	87.7	Confident	62 Å²	62	54.2 Å²	54.2	51%	0.512	32%	0.317	S	S	.	.	H	α-helix	trans	-69.2	-37.4	177.5	0	0	0	0	0	111.8	E691 L692 Y697 S698	E691-A694 WeakPolarHBondContact O-CA 3.3Å; E691-A694 WeakPolarHBondContact O-CB 3.48Å; E691-A694 PolarHBondContact O-N 3.34Å; L692-A694 VanDerWaalsContact C-N 3.33Å; L692-A694 PolarHBondContact O-N 3.47Å; A694-Y697 PolarHBondContact O-N 3.07Å; A694-S698 PolarHBondContact O-N 2.97Å; A694-S698 VanDerWaalsContact O-N 3.14Å; A694-S698 PolarHBondContact O-OG 3.37Å
695	Y	92.3	Very high	87.2	Confident	110 Å²	110	55 Å²	55	43%	0.431	32%	0.321	S	S	.	.	H	α-helix	trans	-60.9	-47.7	171.3	-78.2	-84	0	0	0	111.3	I459 F687 E691 L692 Y697 S698 A699	I459-Y695 HydrophobicContact CG2-CG 4.42Å; F687-Y695 AromaticContact CE2-CD2 3.81Å; F687-Y695 HydrophobicContact CE2-CD2 3.81Å; F687-Y695 AromaticContact CE2-CE2 3.55Å; F687-Y695 HydrophobicContact CE2-CE2 3.55Å; F687-Y695 AromaticContact CZ-CD2 3.97Å; F687-Y695 HydrophobicContact CZ-CD2 3.97Å; F687-Y695 HydrophobicContact CZ-CE2 4.13Å; E691-Y695 HydrophobicContact CB-CD2 4.17Å; E691-Y695 HydrophobicContact CB-CE2 4Å; E691-Y695 WeakPolarHBondContact O-CD2 3.35Å; E691-Y695 PolarHBondContact O-N 3.44Å; E691-Y695 VanDerWaalsContact O-N 3.13Å; E691-Y695 WeakPolarHBondContact OE2-CE2 3.38Å; L692-Y695 PolarHBondContact O-N 2.68Å; Y695-Y697 VanDerWaalsContact C-N 3.3Å; Y695-Y697 PolarHBondContact O-N 2.97Å; Y695-S698 CarbonylContact O-C 3.59Å; Y695-S698 WeakPolarHBondContact O-CA 3.33Å; Y695-S698 PolarHBondContact O-N 2.97Å; Y695-S698 PolarHBondContact O-OG 3.05Å; Y695-A699 WeakPolarHBondContact O-CB 3.24Å; Y695-A699 PolarHBondContact O-N 2.88Å
696	L	90.9	Very high	86.7	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-60.4	-35.2	176.6	-71.6	166.6	0	0	0	113.1	V333 L452 E455 I459 L692 L693 S698 L705	V333-L696 HydrophobicContact CG1-CD1 4.4Å; V333-L696 HydrophobicContact CG2-CD1 3.45Å; V333-L696 VanDerWaalsContact CG2-CD1 3.45Å; L452-L696 HydrophobicContact CD1-CD1 4.06Å; L452-L696 HydrophobicContact CD1-CD2 4.06Å; E455-L696 HydrophobicContact CB-CD2 4.23Å; E455-L696 HydrophobicContact CG-CD2 3.83Å; I459-L696 HydrophobicContact CD1-CD2 3.72Å; I459-L696 HydrophobicContact CD1-CG 4.01Å; L692-L696 HydrophobicContact CD1-CD1 4.02Å; L692-L696 HydrophobicContact CD1-CG 4.2Å; L692-L696 HydrophobicContact CG-CD1 4.03Å; L692-L696 WeakPolarHBondContact O-CG 3.47Å; L692-L696 PolarHBondContact O-N 3.07Å; L693-L696 PolarHBondContact O-N 3.46Å; L696-S698 VanDerWaalsContact C-N 3.28Å; L696-S698 PolarHBondContact O-N 2.81Å; L696-L705 HydrophobicContact CB-CD2 4.36Å; L696-L705 HydrophobicContact CD2-CD2 4.27Å
697	Y	85.2	Confident	86.1	Confident	80 Å²	80	54.2 Å²	54.2	31%	0.314	32%	0.315	S	S	.	.	H	α-helix	trans	-69.3	-21.5	171.6	-84.3	-62.9	0	0	0	114.4	T326 L329 L693 A694 Y695 Q702	T326-Y697 HydrophobicContact CG2-CE1 4.32Å; T326-Y697 WeakPolarHBondContact CG2-OH 3.42Å; L329-Y697 HydrophobicContact CD2-CD1 4.37Å; L329-Y697 HydrophobicContact CD2-CE1 3.9Å; L693-Y697 HydrophobicContact CD1-CD2 4.15Å; L693-Y697 HydrophobicContact CD1-CE2 3.66Å; L693-Y697 HydrophobicContact CD2-CE2 4.17Å; L693-Y697 HydrophobicContact CG-CD2 3.94Å; L693-Y697 HydrophobicContact CG-CE2 3.67Å; L693-Y697 WeakPolarHBondContact O-CD2 3.44Å; L693-Y697 PolarHBondContact O-N 2.98Å; A694-Y697 PolarHBondContact O-N 3.07Å; Y695-Y697 VanDerWaalsContact C-N 3.3Å; Y695-Y697 PolarHBondContact O-N 2.97Å; Y697-Q702 HydrophobicContact CD1-CG 4.19Å; Y697-Q702 HydrophobicContact CE1-CG 4.35Å
698	S	85.4	Confident	85.3	Confident	91 Å²	91	55.8 Å²	55.8	64%	0.636	32%	0.323	S	S	*	.	H	α-helix	trans	-100.3	-16.2	-179.3	71.8	0	0	0	0	114.3	A694 Y695 L696 G700	A694-S698 PolarHBondContact O-N 2.97Å; A694-S698 VanDerWaalsContact O-N 3.14Å; A694-S698 PolarHBondContact O-OG 3.37Å; Y695-S698 CarbonylContact O-C 3.59Å; Y695-S698 WeakPolarHBondContact O-CA 3.33Å; Y695-S698 PolarHBondContact O-N 2.97Å; Y695-S698 PolarHBondContact O-OG 3.05Å; L696-S698 VanDerWaalsContact C-N 3.28Å; L696-S698 PolarHBondContact O-N 2.81Å; S698-G700 PolarHBondContact O-N 3.17Å
699	A	73.2	Confident	84.7	Confident	50 Å²	50	56.9 Å²	56.9	41%	0.413	33%	0.33	S	S	.	.	S	Bend	trans	-73.4	-23.2	-172.9	0	0	0	0	0	114.3	E455 Y695	E455-A699 HydrophobicContact CG-CB 4.14Å; E455-A699 VanDerWaalsContact OE1-CB 3.3Å; E455-A699 WeakPolarHBondContact OE1-CB 3.36Å; Y695-A699 WeakPolarHBondContact O-CB 3.24Å; Y695-A699 PolarHBondContact O-N 2.88Å
700	G	65.6	Low	84.2	Confident	49 Å²	49	56.5 Å²	56.5	51%	0.505	34%	0.344	S	S	.	.	S	Bend	trans	173.3	-166.4	-179.9	0	0	0	0	0	114	S698 Q702	S698-G700 PolarHBondContact O-N 3.17Å; G700-Q702 PolarHBondContact O-N 3.19Å
701	D	75.7	Confident	83.5	Confident	109 Å²	109	59.3 Å²	59.3	58%	0.583	35%	0.347	S	S	*	.			trans	-68.2	125.3	174.9	169.2	41.2	0	0	0	111.7	G703 S704 L705	D701-G703 PolarHBondContact O-N 3.23Å; D701-G703 PolarHBondContact OD1-N 2.85Å; D701-G703 VanDerWaalsContact OD2-CA 3.27Å; D701-G703 WeakPolarHBondContact OD2-CA 3.33Å; D701-G703 PolarHBondContact OD2-N 3.03Å; D701-S704 PolarHBondContact O-N 2.85Å; D701-S704 PolarHBondContact OD2-N 3.39Å; D701-L705 PolarHBondContact O-N 3.04Å
702	Q	70.8	Confident	82.7	Confident	66 Å²	66	59.2 Å²	59.2	31%	0.308	35%	0.345	S	S	.	.	H	α-helix	trans	-61.3	-28.8	174.2	-63.8	172.6	47.7	0	0	112.3	T326 Y697 G700 M706	T326-Q702 PolarHBondContact OG1-OE1 2.82Å; Y697-Q702 HydrophobicContact CD1-CG 4.19Å; Y697-Q702 HydrophobicContact CE1-CG 4.35Å; G700-Q702 PolarHBondContact O-N 3.19Å; Q702-M706 WeakPolarHBondContact O-CB 3.27Å; Q702-M706 PolarHBondContact O-N 2.94Å
703	G	72.9	Confident	81.9	Confident	24 Å²	24	60.6 Å²	60.6	25%	0.247	36%	0.356	C	S	.	.	H	α-helix	trans	-60.3	-46.1	175.1	0	0	0	0	0	112.3	K325 D701	K325-G703 PolarHBondContact NZ-O 3.26Å; D701-G703 PolarHBondContact O-N 3.23Å; D701-G703 PolarHBondContact OD1-N 2.85Å; D701-G703 VanDerWaalsContact OD2-CA 3.27Å; D701-G703 WeakPolarHBondContact OD2-CA 3.33Å; D701-G703 PolarHBondContact OD2-N 3.03Å
704	S	81.9	Confident	81.4	Confident	46 Å²	46	63.9 Å²	63.9	32%	0.322	37%	0.37	S	S	.	.	H	α-helix	trans	-73.9	-41.8	175.7	173.5	0	0	0	0	114.2	R451 D701 M706 E707	R451-S704 PolarHBondContact NH1-O 3.25Å; R451-S704 PolarHBondContact NH1-OG 2.79Å; D701-S704 PolarHBondContact O-N 2.85Å; D701-S704 PolarHBondContact OD2-N 3.39Å; S704-M706 PolarHBondContact O-N 3.14Å; S704-E707 WeakPolarHBondContact O-CB 3.15Å; S704-E707 PolarHBondContact O-N 2.81Å
705	L	85.4	Confident	80.8	Confident	18 Å²	18	69.1 Å²	69.1	9%	0.094	38%	0.377	C	S	.	.	H	α-helix	trans	-62.1	-35.2	-178.9	-170.2	69.7	0	0	0	112	L329 L452 E455 L696 D701	L329-L705 HydrophobicContact CD1-CD2 4.04Å; L329-L705 HydrophobicContact CD2-CD2 4.41Å; L452-L705 HydrophobicContact CB-CD1 4.44Å; L452-L705 HydrophobicContact CB-CG 4.26Å; L452-L705 HydrophobicContact CD1-CD2 4.11Å; L452-L705 HydrophobicContact CD1-CG 4.21Å; L452-L705 PolarHBondContact N-O 2.81Å; E455-L705 HydrophobicContact CB-CD1 3.98Å; E455-L705 HydrophobicContact CG-CD1 4.26Å; L696-L705 HydrophobicContact CB-CD2 4.36Å; L696-L705 HydrophobicContact CD2-CD2 4.27Å; D701-L705 PolarHBondContact O-N 3.04Å
706	M	85.4	Confident	80.3	Confident	7 Å²	7	65.3 Å²	65.3	3%	0.034	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	34.1	179.8	-59.3	-60.3	-63.5	0	0	112.8	K325 A328 L329 Y449 L452 Q702 S704	K325-M706 HydrophobicContact CB-CB 4.16Å; K325-M706 HydrophobicContact CB-CG 4.21Å; K325-M706 HydrophobicContact CD-CB 4.01Å; K325-M706 HydrophobicContact CG-CB 4Å; A328-M706 HydrophobicContact CB-CE 3.74Å; L329-M706 HydrophobicContact CB-CE 4.31Å; L329-M706 HydrophobicContact CB-CG 4.36Å; L329-M706 HydrophobicContact CB-SD 3.79Å; L329-M706 HydrophobicContact CD1-SD 3.94Å; L329-M706 HydrophobicContact CG-SD 4.41Å; Y449-M706 HydrophobicContact CD1-CB 4.45Å; Y449-M706 HydrophobicContact CD1-CE 4.01Å; Y449-M706 HydrophobicContact CD2-CE 3.77Å; Y449-M706 HydrophobicContact CE1-CE 3.86Å; Y449-M706 HydrophobicContact CE2-CE 3.63Å; Y449-M706 HydrophobicContact CG-CE 3.97Å; Y449-M706 HydrophobicContact CG-SD 4.48Å; L452-M706 HydrophobicContact CD2-SD 3.85Å; Q702-M706 WeakPolarHBondContact O-CB 3.27Å; Q702-M706 PolarHBondContact O-N 2.94Å; S704-M706 PolarHBondContact O-N 3.14Å
707	E	84	Confident	79.8	Confident	97 Å²	97	68.2 Å²	68.2	45%	0.453	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-74.8	126.3	171.2	-164.3	172.7	123.8	0	0	110.3	R451 S704	R451-E707 IonicContact CZ-OE1 3.15Å; R451-E707 IonicContact CZ-OE2 2.72Å; R451-E707 IonicContact NH1-OE1 3.62Å; R451-E707 IonicContact NH1-OE2 2.72Å; R451-E707 PolarHBondContact NH1-OE2 3.14Å; R451-E707 IonicContact NH2-OE1 3.76Å; R451-E707 PolarHBondContact NH2-OE1 2.88Å; R451-E707 IonicContact NH2-OE2 2.62Å; R451-E707 PolarHBondContact NH2-OE2 2.92Å; S704-E707 WeakPolarHBondContact O-CB 3.15Å; S704-E707 PolarHBondContact O-N 2.81Å
708	E	81.8	Confident	79.5	Confident	43 Å²	43	67 Å²	67	20%	0.201	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-74.2	140.1	-179.4	-178.3	175.7	-139.9	0	0	110.7	K712 A713 R716	E708-K712 HydrophobicContact CG-CB 3.8Å; E708-A713 HydrophobicContact CG-CB 4.39Å; E708-R716 IonicContact OE1-NE 2.66Å; E708-R716 PolarHBondContact OE1-NE 3.05Å; E708-R716 IonicContact OE2-CZ 2.65Å; E708-R716 VanDerWaalsContact OE2-CZ 3.24Å; E708-R716 IonicContact OE2-NE 3.91Å; E708-R716 PolarHBondContact OE2-NE 2.89Å; E708-R716 IonicContact OE2-NH2 2.77Å; E708-R716 PolarHBondContact OE2-NH2 3.25Å
709	S	84.6	Confident	79.3	Confident	26 Å²	26	63.7 Å²	63.7	18%	0.182	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-64.6	143.7	176.5	70.6	0	0	0	0	111.9	S448 E711 K712 A713	S448-S709 PolarHBondContact O-N 3.04Å; S709-E711 PolarHBondContact O-N 3.22Å; S709-E711 VanDerWaalsContact O-N 3.16Å; S709-K712 PolarHBondContact O-N 3.06Å; S709-A713 PolarHBondContact O-N 2.81Å
710	A	83.8	Confident	79.7	Confident	85 Å²	85	63.3 Å²	63.3	70%	0.702	34%	0.34	S	S	*	.	H	α-helix	trans	-56.6	-35.9	-175.4	0	0	0	0	0	113.2	A713 Q714	A710-A713 PolarHBondContact O-N 3.15Å; A710-Q714 WeakPolarHBondContact O-CB 3.47Å; A710-Q714 PolarHBondContact O-N 3.21Å
711	E	79.2	Confident	80.4	Confident	145 Å²	145	67.7 Å²	67.7	68%	0.678	34%	0.341	S	S	*	.	H	α-helix	trans	-64	-42.4	174.6	-170.1	-168.9	154.3	0	0	112.1	S709 Q714 R715	S709-E711 PolarHBondContact O-N 3.22Å; S709-E711 VanDerWaalsContact O-N 3.16Å; E711-Q714 PolarHBondContact O-N 2.72Å; E711-R715 VanDerWaalsContact O-CB 3.29Å; E711-R715 WeakPolarHBondContact O-CB 3.48Å; E711-R715 PolarHBondContact O-N 3.06Å
712	K	78.8	Confident	80.6	Confident	87 Å²	87	63.3 Å²	63.3	38%	0.378	32%	0.317	S	S	.	.	H	α-helix	trans	-69.3	-41.3	176.1	-75.2	-150	179.8	-168.5	0	112.2	S448 E708 S709 Q714 R715 R716	S448-K712 PolarHBondContact OG-NZ 2.98Å; E708-K712 HydrophobicContact CG-CB 3.8Å; S709-K712 PolarHBondContact O-N 3.06Å; K712-Q714 VanDerWaalsContact C-N 3.35Å; K712-Q714 PolarHBondContact O-N 2.94Å; K712-R715 PolarHBondContact O-N 2.87Å; K712-R716 VanDerWaalsContact O-CB 3.25Å; K712-R716 WeakPolarHBondContact O-CB 3.29Å; K712-R716 PolarHBondContact O-N 3.32Å
713	A	79.6	Confident	81.2	Confident	28 Å²	28	60.8 Å²	60.8	23%	0.231	31%	0.305	C	S	.	.	H	α-helix	trans	-59.1	-45.8	174.2	0	0	0	0	0	111.5	E708 S709 A710 R716 D717	E708-A713 HydrophobicContact CG-CB 4.39Å; S709-A713 PolarHBondContact O-N 2.81Å; A710-A713 PolarHBondContact O-N 3.15Å; A713-R716 PolarHBondContact O-N 2.95Å; A713-D717 WeakPolarHBondContact O-CB 3.29Å; A713-D717 PolarHBondContact O-N 3.03Å
714	Q	80.9	Confident	81.7	Confident	117 Å²	117	65.4 Å²	65.4	55%	0.547	32%	0.32	S	S	.	.	H	α-helix	trans	-60.7	-49	174	177.4	177.7	-17.1	0	0	111.8	A710 E711 K712 R716 D717 E718	A710-Q714 WeakPolarHBondContact O-CB 3.47Å; A710-Q714 PolarHBondContact O-N 3.21Å; E711-Q714 PolarHBondContact O-N 2.72Å; K712-Q714 VanDerWaalsContact C-N 3.35Å; K712-Q714 PolarHBondContact O-N 2.94Å; Q714-R716 VanDerWaalsContact C-N 3.34Å; Q714-R716 PolarHBondContact O-N 3.25Å; Q714-D717 WeakPolarHBondContact O-CB 3.35Å; Q714-D717 PolarHBondContact O-N 2.98Å; Q714-E718 HydrophobicContact CG-CG 4.42Å; Q714-E718 VanDerWaalsContact CG-OE1 3.31Å; Q714-E718 WeakPolarHBondContact CG-OE1 3.37Å; Q714-E718 PolarHBondContact NE2-OE1 3.34Å; Q714-E718 WeakPolarHBondContact O-CG 3.36Å; Q714-E718 PolarHBondContact O-N 3.35Å
715	R	80.7	Confident	81.5	Confident	173 Å²	173	63.7 Å²	63.7	65%	0.653	31%	0.309	S	S	*	.	H	α-helix	trans	-62.1	-39.7	-179.5	-178.1	173.2	174.2	157.7	-1.3	112.4	E711 K712 M719	E711-R715 VanDerWaalsContact O-CB 3.29Å; E711-R715 WeakPolarHBondContact O-CB 3.48Å; E711-R715 PolarHBondContact O-N 3.06Å; K712-R715 PolarHBondContact O-N 2.87Å; R715-M719 VanDerWaalsContact O-CB 3.3Å; R715-M719 WeakPolarHBondContact O-CB 3.38Å; R715-M719 PolarHBondContact O-N 3.31Å
716	R	81	Confident	81.3	Confident	30 Å²	30	63 Å²	63	11%	0.113	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-47.7	173.6	177.4	175.4	53.1	57.6	-1.6	110.9	Y314 E708 K712 A713 Q714 M719 L720	Y314-R716 HydrophobicContact CD1-CG 3.64Å; Y314-R716 HydrophobicContact CE1-CB 4.46Å; Y314-R716 HydrophobicContact CE1-CG 3.87Å; Y314-R716 HydrophobicContact CG-CG 4.06Å; E708-R716 IonicContact OE1-NE 2.66Å; E708-R716 PolarHBondContact OE1-NE 3.05Å; E708-R716 IonicContact OE2-CZ 2.65Å; E708-R716 VanDerWaalsContact OE2-CZ 3.24Å; E708-R716 IonicContact OE2-NE 3.91Å; E708-R716 PolarHBondContact OE2-NE 2.89Å; E708-R716 IonicContact OE2-NH2 2.77Å; E708-R716 PolarHBondContact OE2-NH2 3.25Å; K712-R716 VanDerWaalsContact O-CB 3.25Å; K712-R716 WeakPolarHBondContact O-CB 3.29Å; K712-R716 PolarHBondContact O-N 3.32Å; A713-R716 PolarHBondContact O-N 2.95Å; Q714-R716 VanDerWaalsContact C-N 3.34Å; Q714-R716 PolarHBondContact O-N 3.25Å; R716-M719 PolarHBondContact O-N 3.35Å; R716-L720 HydrophobicContact CG-CD1 4.21Å; R716-L720 VanDerWaalsContact O-CG 3.3Å; R716-L720 WeakPolarHBondContact O-CG 3.48Å; R716-L720 PolarHBondContact O-N 2.99Å
717	D	80.4	Confident	81.3	Confident	61 Å²	61	67.8 Å²	67.8	33%	0.326	33%	0.326	S	S	.	.	H	α-helix	trans	-63.9	-44.5	177.6	-92.9	37	0	0	0	113	A713 Q714 L720 R721	A713-D717 WeakPolarHBondContact O-CB 3.29Å; A713-D717 PolarHBondContact O-N 3.03Å; Q714-D717 WeakPolarHBondContact O-CB 3.35Å; Q714-D717 PolarHBondContact O-N 2.98Å; D717-L720 PolarHBondContact O-N 2.8Å; D717-R721 VanDerWaalsContact O-CG 3.24Å; D717-R721 WeakPolarHBondContact O-CG 3.36Å; D717-R721 PolarHBondContact O-N 2.92Å; D717-R721 IonicContact OD2-NH2 2.73Å; D717-R721 PolarHBondContact OD2-NH2 3.29Å
718	E	79.1	Confident	81.2	Confident	56 Å²	56	68.6 Å²	68.6	26%	0.262	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-43.6	175.2	-76.5	-177.3	-150.1	0	0	111.6	Q25 Q714 R721 M722	Q25-E718 PolarHBondContact NE2-OE2 3.15Å; Q714-E718 HydrophobicContact CG-CG 4.42Å; Q714-E718 VanDerWaalsContact CG-OE1 3.31Å; Q714-E718 WeakPolarHBondContact CG-OE1 3.37Å; Q714-E718 PolarHBondContact NE2-OE1 3.34Å; Q714-E718 WeakPolarHBondContact O-CG 3.36Å; Q714-E718 PolarHBondContact O-N 3.35Å; E718-R721 PolarHBondContact O-N 3.26Å; E718-M722 WeakPolarHBondContact O-CB 3.25Å; E718-M722 PolarHBondContact O-N 3.05Å
719	M	80.6	Confident	81	Confident	21 Å²	21	66.6 Å²	66.6	10%	0.103	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-38.7	178.6	-166.1	-174.9	64.8	0	0	112.5	L307 E310 V311 Y314 R715 R716 M722 Y723	L307-M719 HydrophobicContact CD2-CG 3.78Å; L307-M719 HydrophobicContact CD2-SD 4.12Å; E310-M719 HydrophobicContact CB-CE 3.82Å; E310-M719 HydrophobicContact CB-SD 3.63Å; V311-M719 HydrophobicContact CG2-CE 3.69Å; V311-M719 HydrophobicContact CG2-CG 4.17Å; V311-M719 HydrophobicContact CG2-SD 4.27Å; Y314-M719 HydrophobicContact CD2-CE 3.31Å; Y314-M719 HydrophobicContact CE2-CE 3.38Å; Y314-M719 HydrophobicContact CG-CE 4.46Å; R715-M719 VanDerWaalsContact O-CB 3.3Å; R715-M719 WeakPolarHBondContact O-CB 3.38Å; R715-M719 PolarHBondContact O-N 3.31Å; R716-M719 PolarHBondContact O-N 3.35Å; M719-M722 WeakPolarHBondContact O-CB 3.36Å; M719-M722 PolarHBondContact O-N 3.14Å; M719-Y723 PolarHBondContact O-N 3.26Å
720	L	82.3	Confident	80.9	Confident	42 Å²	42	66.6 Å²	66.6	22%	0.22	32%	0.318	C	S	.	.	H	α-helix	trans	-63.9	-46.9	173.9	-73.4	168.2	0	0	0	111.2	V311 R716 D717 M722 Y723 H724	V311-L720 HydrophobicContact CG1-CD2 4.09Å; R716-L720 HydrophobicContact CG-CD1 4.21Å; R716-L720 VanDerWaalsContact O-CG 3.3Å; R716-L720 WeakPolarHBondContact O-CG 3.48Å; R716-L720 PolarHBondContact O-N 2.99Å; D717-L720 PolarHBondContact O-N 2.8Å; L720-M722 VanDerWaalsContact C-N 3.3Å; L720-M722 PolarHBondContact O-N 2.96Å; L720-Y723 PolarHBondContact O-N 2.92Å; L720-H724 PolarHBondContact O-CD2 3.01Å; L720-H724 PolarHBondContact O-N 3.43Å
721	R	79.4	Confident	80.9	Confident	141 Å²	141	66.9 Å²	66.9	53%	0.532	31%	0.311	S	S	.	.	H	α-helix	trans	-57	-44	174.5	-67.3	166.6	-153.2	175.4	7.3	111.2	D717 E718 H724 A725	D717-R721 VanDerWaalsContact O-CG 3.24Å; D717-R721 WeakPolarHBondContact O-CG 3.36Å; D717-R721 PolarHBondContact O-N 2.92Å; D717-R721 IonicContact OD2-NH2 2.73Å; D717-R721 PolarHBondContact OD2-NH2 3.29Å; E718-R721 PolarHBondContact O-N 3.26Å; R721-H724 PolarHBondContact O-N 2.88Å; R721-A725 PolarHBondContact O-N 2.86Å
722	M	79.7	Confident	80.7	Confident	16 Å²	16	61 Å²	61	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-59.4	-50.5	177.7	-172.2	56.5	67.1	0	0	112.3	I23 Q25 C27 L307 E718 M719 L720 H724 A725 L726	I23-M722 HydrophobicContact CD1-CE 4.25Å; I23-M722 HydrophobicContact CD1-SD 4.08Å; I23-M722 HydrophobicContact CG2-CE 3.84Å; Q25-M722 HydrophobicContact CB-CE 3.98Å; Q25-M722 HydrophobicContact CG-CE 4.43Å; C27-M722 WeakPolarHBondContact SG-CE 3.25Å; C27-M722 PolarHBondContact SG-SD 3.09Å; L307-M722 HydrophobicContact CD1-CB 4.38Å; L307-M722 HydrophobicContact CD1-CG 3.67Å; E718-M722 WeakPolarHBondContact O-CB 3.25Å; E718-M722 PolarHBondContact O-N 3.05Å; M719-M722 WeakPolarHBondContact O-CB 3.36Å; M719-M722 PolarHBondContact O-N 3.14Å; L720-M722 VanDerWaalsContact C-N 3.3Å; L720-M722 PolarHBondContact O-N 2.96Å; M722-H724 VanDerWaalsContact C-N 3.34Å; M722-H724 PolarHBondContact O-N 2.95Å; M722-A725 PolarHBondContact O-N 3.09Å; M722-L726 HydrophobicContact CG-CD1 3.98Å; M722-L726 HydrophobicContact CG-CG 4.42Å; M722-L726 WeakPolarHBondContact O-CB 3.43Å; M722-L726 VanDerWaalsContact O-CG 3.29Å; M722-L726 WeakPolarHBondContact O-CG 3.34Å; M722-L726 PolarHBondContact O-N 2.93Å; M722-L726 HydrophobicContact SD-CD1 4.39Å; M722-L726 HydrophobicContact SD-CG 4.3Å
723	Y	84.1	Confident	80.6	Confident	13 Å²	13	56.9 Å²	56.9	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-40.2	178.9	172.9	-91.4	0	0	0	112.4	M304 E308 V311 K315 M719 L720 K727	M304-Y723 HydrophobicContact CG-CD2 4.09Å; M304-Y723 HydrophobicContact CG-CE2 4.01Å; E308-Y723 HydrophobicContact CB-CE2 4.04Å; E308-Y723 HydrophobicContact CG-CE2 4.28Å; E308-Y723 WeakPolarHBondContact OE1-CE2 3.11Å; E308-Y723 PolarHBondContact OE1-OH 3.46Å; V311-Y723 HydrophobicContact CB-CD2 4.28Å; V311-Y723 HydrophobicContact CB-CG 4.33Å; V311-Y723 HydrophobicContact CG1-CD1 3.86Å; V311-Y723 HydrophobicContact CG1-CD2 4.18Å; V311-Y723 HydrophobicContact CG1-CE1 4.11Å; V311-Y723 HydrophobicContact CG1-CE2 4.42Å; V311-Y723 HydrophobicContact CG1-CG 3.9Å; V311-Y723 HydrophobicContact CG2-CD2 4.14Å; V311-Y723 HydrophobicContact CG2-CG 3.99Å; K315-Y723 PolarHBondContact NZ-OH 3.27Å; M719-Y723 PolarHBondContact O-N 3.26Å; L720-Y723 PolarHBondContact O-N 2.92Å; Y723-K727 HydrophobicContact CE1-CD 4.41Å; Y723-K727 VanDerWaalsContact O-CB 3.32Å; Y723-K727 WeakPolarHBondContact O-CB 3.08Å; Y723-K727 PolarHBondContact O-N 2.97Å
724	H	82.4	Confident	80.2	Confident	121 Å²	121	56.6 Å²	56.6	56%	0.56	27%	0.266	S	S	*	.	H	α-helix	trans	-62.4	-45.3	174.7	-78.2	-65.9	0	0	0	112.5	L720 R721 M722 K727 E728	L720-H724 PolarHBondContact O-CD2 3.01Å; L720-H724 PolarHBondContact O-N 3.43Å; R721-H724 PolarHBondContact O-N 2.88Å; M722-H724 VanDerWaalsContact C-N 3.34Å; M722-H724 PolarHBondContact O-N 2.95Å; H724-K727 WeakPolarHBondContact O-CB 2.91Å; H724-K727 PolarHBondContact O-N 2.79Å; H724-E728 PolarHBondContact O-N 3.38Å
725	A	78	Confident	79.6	Confident	10 Å²	10	56 Å²	56	8%	0.083	27%	0.267	C	S	.	.	H	α-helix	trans	-70.1	-37.9	179.6	0	0	0	0	0	113.2	F20 I23 R721 M722 K727 E728 A729	F20-A725 HydrophobicContact CE1-CB 4.48Å; I23-A725 HydrophobicContact CD1-CB 3.37Å; I23-A725 HydrophobicContact CG1-CB 4.04Å; R721-A725 PolarHBondContact O-N 2.86Å; M722-A725 PolarHBondContact O-N 3.09Å; A725-K727 VanDerWaalsContact C-N 3.28Å; A725-K727 PolarHBondContact O-N 3.37Å; A725-E728 PolarHBondContact O-N 3.28Å; A725-A729 VanDerWaalsContact O-CB 3.31Å; A725-A729 WeakPolarHBondContact O-CB 3.45Å; A725-A729 PolarHBondContact O-N 3.38Å
726	L	82	Confident	78.7	Confident	4 Å²	4	48.2 Å²	48.2	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-40.5	171.5	-72.3	170.3	0	0	0	111.4	F20 L300 Q303 M304 L307 M722 L730	F20-L726 HydrophobicContact CE1-CD2 3.87Å; F20-L726 HydrophobicContact CE1-CG 4.36Å; F20-L726 HydrophobicContact CZ-CD2 4Å; L300-L726 HydrophobicContact CD2-CD2 3.4Å; L300-L726 VanDerWaalsContact CD2-CD2 3.4Å; Q303-L726 HydrophobicContact CB-CD1 4.35Å; M304-L726 HydrophobicContact CB-CB 4.36Å; L307-L726 HydrophobicContact CD1-CD1 3.5Å; L307-L726 VanDerWaalsContact CD1-CD1 3.5Å; M722-L726 HydrophobicContact CG-CD1 3.98Å; M722-L726 HydrophobicContact CG-CG 4.42Å; M722-L726 WeakPolarHBondContact O-CB 3.43Å; M722-L726 VanDerWaalsContact O-CG 3.29Å; M722-L726 WeakPolarHBondContact O-CG 3.34Å; M722-L726 PolarHBondContact O-N 2.93Å; M722-L726 HydrophobicContact SD-CD1 4.39Å; M722-L726 HydrophobicContact SD-CG 4.3Å; L726-L730 WeakPolarHBondContact O-CB 3.43Å; L726-L730 VanDerWaalsContact O-CG 3.29Å; L726-L730 WeakPolarHBondContact O-CG 3.44Å; L726-L730 PolarHBondContact O-N 3.35Å
727	K	84.5	Confident	77.6	Confident	107 Å²	107	50.2 Å²	50.2	47%	0.465	26%	0.256	S	S	.	.	H	α-helix	trans	-67	-42.3	177	-171.7	171.1	-175.6	168.2	0	112.2	M304 Y723 H724 A725 L730 V731	M304-K727 HydrophobicContact SD-CB 4.31Å; Y723-K727 HydrophobicContact CE1-CD 4.41Å; Y723-K727 VanDerWaalsContact O-CB 3.32Å; Y723-K727 WeakPolarHBondContact O-CB 3.08Å; Y723-K727 PolarHBondContact O-N 2.97Å; H724-K727 WeakPolarHBondContact O-CB 2.91Å; H724-K727 PolarHBondContact O-N 2.79Å; A725-K727 VanDerWaalsContact C-N 3.28Å; A725-K727 PolarHBondContact O-N 3.37Å; K727-L730 PolarHBondContact O-N 2.77Å; K727-V731 WeakPolarHBondContact O-CG2 3.36Å; K727-V731 PolarHBondContact O-N 3.19Å; K727-V731 VanDerWaalsContact O-N 3.14Å
728	E	81.7	Confident	76.3	Confident	115 Å²	115	53 Å²	53	54%	0.537	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-46.7	173.6	-174.5	176.6	-179.8	0	0	111.6	H724 A725 L730 V731 I732	H724-E728 PolarHBondContact O-N 3.38Å; A725-E728 PolarHBondContact O-N 3.28Å; E728-L730 VanDerWaalsContact C-N 3.29Å; E728-L730 PolarHBondContact O-N 3.11Å; E728-V731 WeakPolarHBondContact O-CB 3.43Å; E728-V731 PolarHBondContact O-N 2.95Å; E728-V731 VanDerWaalsContact O-N 3.14Å; E728-I732 HydrophobicContact CG-CD1 4.05Å; E728-I732 WeakPolarHBondContact O-CG1 3.18Å; E728-I732 PolarHBondContact O-N 3.49Å
729	A	78.3	Confident	75	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-36.6	176.5	0	0	0	0	0	113	L16 F20 L300 A725 I732 I733	L16-A729 HydrophobicContact CD1-CB 3.89Å; L16-A729 HydrophobicContact CG-CB 4.19Å; F20-A729 HydrophobicContact CE2-CB 3.44Å; F20-A729 VanDerWaalsContact CE2-CB 3.44Å; F20-A729 HydrophobicContact CZ-CB 3.46Å; F20-A729 VanDerWaalsContact CZ-CB 3.46Å; L300-A729 HydrophobicContact CD1-CB 4.44Å; A725-A729 VanDerWaalsContact O-CB 3.31Å; A725-A729 WeakPolarHBondContact O-CB 3.45Å; A725-A729 PolarHBondContact O-N 3.38Å; A729-I732 WeakPolarHBondContact O-CB 3.2Å; A729-I732 PolarHBondContact O-N 2.83Å; A729-I733 WeakPolarHBondContact O-CB 3.46Å; A729-I733 VanDerWaalsContact O-CG1 3.27Å; A729-I733 WeakPolarHBondContact O-CG1 3.01Å; A729-I733 PolarHBondContact O-N 2.97Å
730	L	83.4	Confident	73.7	Confident	26 Å²	26	54.9 Å²	54.9	14%	0.136	29%	0.293	C	S	.	.	H	α-helix	trans	-72.6	-30.5	176.3	-75.5	170.9	0	0	0	113.4	R297 L300 Q301 M304 L726 K727 E728 G734	R297-L730 HydrophobicContact CG-CD2 4.15Å; L300-L730 HydrophobicContact CB-CD1 4.5Å; L300-L730 HydrophobicContact CB-CD2 3.7Å; L300-L730 HydrophobicContact CB-CG 4.09Å; Q301-L730 HydrophobicContact CG-CD1 3.96Å; Q301-L730 HydrophobicContact CG-CD2 3.58Å; Q301-L730 HydrophobicContact CG-CG 4.44Å; M304-L730 HydrophobicContact CB-CD1 4.13Å; M304-L730 HydrophobicContact CE-CD1 4.02Å; M304-L730 HydrophobicContact CG-CD1 4.5Å; M304-L730 HydrophobicContact SD-CD1 3.65Å; L726-L730 WeakPolarHBondContact O-CB 3.43Å; L726-L730 VanDerWaalsContact O-CG 3.29Å; L726-L730 WeakPolarHBondContact O-CG 3.44Å; L726-L730 PolarHBondContact O-N 3.35Å; K727-L730 PolarHBondContact O-N 2.77Å; E728-L730 VanDerWaalsContact C-N 3.29Å; E728-L730 PolarHBondContact O-N 3.11Å; L730-G734 PolarHBondContact O-N 3.34Å; L730-G734 VanDerWaalsContact O-N 3.09Å
731	V	83.1	Confident	72.2	Confident	92 Å²	92	59.4 Å²	59.4	56%	0.558	32%	0.315	S	S	*	.	H	α-helix	trans	-66.5	-50	168.5	172.3	0	0	0	0	109.9	K727 E728 I733 G734 D735	K727-V731 WeakPolarHBondContact O-CG2 3.36Å; K727-V731 PolarHBondContact O-N 3.19Å; K727-V731 VanDerWaalsContact O-N 3.14Å; E728-V731 WeakPolarHBondContact O-CB 3.43Å; E728-V731 PolarHBondContact O-N 2.95Å; E728-V731 VanDerWaalsContact O-N 3.14Å; V731-I733 PolarHBondContact O-N 3.08Å; V731-G734 WeakPolarHBondContact O-CA 3.48Å; V731-G734 PolarHBondContact O-N 2.79Å; V731-D735 PolarHBondContact O-N 3Å
732	I	75.2	Confident	70.7	Confident	20 Å²	20	55.1 Å²	55.1	10%	0.103	31%	0.307	C	S	.	.	H	α-helix	trans	-52.1	-41	176	-76.9	169.2	0	0	0	112.3	L12 L16 E728 A729	L12-I732 HydrophobicContact CD1-CG1 4.45Å; L12-I732 HydrophobicContact CD1-CG2 3.67Å; L12-I732 HydrophobicContact CG-CG2 3.84Å; L16-I732 HydrophobicContact CB-CG2 4.4Å; L16-I732 HydrophobicContact CD1-CG2 3.98Å; E728-I732 HydrophobicContact CG-CD1 4.05Å; E728-I732 WeakPolarHBondContact O-CG1 3.18Å; E728-I732 PolarHBondContact O-N 3.49Å; A729-I732 WeakPolarHBondContact O-CB 3.2Å; A729-I732 PolarHBondContact O-N 2.83Å
733	I	75.5	Confident	69.5	Low	1 Å²	1	57.8 Å²	57.8	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-76.5	-26.6	177.9	-70.4	171.6	0	0	0	112.7	L16 L293 L296 R297 L300 A729 V731 I736 S737	L16-I733 HydrophobicContact CD1-CD1 3.75Å; L16-I733 HydrophobicContact CD1-CG1 3.8Å; L293-I733 HydrophobicContact CD1-CG1 4.17Å; L293-I733 HydrophobicContact CD1-CG2 4.43Å; L293-I733 HydrophobicContact CD2-CG2 4.1Å; L293-I733 HydrophobicContact CG-CG2 4Å; L296-I733 HydrophobicContact CD2-CD1 4.05Å; L296-I733 HydrophobicContact CG-CD1 4.21Å; R297-I733 HydrophobicContact CB-CG2 3.84Å; R297-I733 HydrophobicContact CG-CG2 3.87Å; L300-I733 HydrophobicContact CD1-CD1 3.38Å; A729-I733 WeakPolarHBondContact O-CB 3.46Å; A729-I733 VanDerWaalsContact O-CG1 3.27Å; A729-I733 WeakPolarHBondContact O-CG1 3.01Å; A729-I733 PolarHBondContact O-N 2.97Å; V731-I733 PolarHBondContact O-N 3.08Å; I733-I736 PolarHBondContact O-N 3.15Å; I733-S737 PolarHBondContact O-OG 3.49Å
734	G	72.4	Confident	67.9	Low	23 Å²	23	63.2 Å²	63.2	24%	0.237	36%	0.362	C	S	.	.	H	α-helix	trans	-58.2	-50.3	174.2	0	0	0	0	0	111.9	L730 V731 I736 S737	L730-G734 PolarHBondContact O-N 3.34Å; L730-G734 VanDerWaalsContact O-N 3.09Å; V731-G734 WeakPolarHBondContact O-CA 3.48Å; V731-G734 PolarHBondContact O-N 2.79Å; G734-I736 VanDerWaalsContact C-N 3.25Å; G734-I736 PolarHBondContact O-N 2.83Å; G734-S737 PolarHBondContact O-N 3.09Å; G734-S737 VanDerWaalsContact O-N 3.16Å
735	D	66.7	Low	66.6	Low	105 Å²	105	59.5 Å²	59.5	56%	0.561	35%	0.347	S	S	*	.	H	α-helix	trans	-64.7	-25.4	-176.3	-64.1	-21.5	0	0	0	113.7	V731 T738 T739	V731-D735 PolarHBondContact O-N 3Å; D735-T738 PolarHBondContact O-OG1 3.25Å; D735-T739 PolarHBondContact O-OG1 3.03Å
736	I	62.3	Low	65.5	Low	8 Å²	8	62.9 Å²	62.9	4%	0.041	37%	0.368	C	S	.	.	H	α-helix	trans	-70.7	-34	177.2	-64.2	170.2	0	0	0	112.1	L9 L12 L293 I733 G734 T738 T739	L9-I736 HydrophobicContact CD2-CB 4.39Å; L9-I736 HydrophobicContact CD2-CD1 4.3Å; L9-I736 HydrophobicContact CD2-CG1 4.18Å; L9-I736 HydrophobicContact CD2-CG2 3.36Å; L12-I736 HydrophobicContact CD2-CD1 3.87Å; L12-I736 HydrophobicContact CD2-CG1 3.44Å; L12-I736 VanDerWaalsContact CD2-CG1 3.44Å; L12-I736 HydrophobicContact CG-CD1 4.15Å; L12-I736 HydrophobicContact CG-CG1 4.28Å; L293-I736 HydrophobicContact CD1-CD1 4.12Å; L293-I736 HydrophobicContact CD2-CB 3.68Å; L293-I736 HydrophobicContact CD2-CD1 3.85Å; L293-I736 HydrophobicContact CD2-CG1 4.36Å; L293-I736 HydrophobicContact CD2-CG2 3.33Å; I733-I736 PolarHBondContact O-N 3.15Å; G734-I736 VanDerWaalsContact C-N 3.25Å; G734-I736 PolarHBondContact O-N 2.83Å; I736-T738 PolarHBondContact O-N 2.96Å; I736-T739 PolarHBondContact O-OG1 3.27Å
737	S	57.5	Low	64.1	Low	72 Å²	72	67.5 Å²	67.5	50%	0.503	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-10.2	-165.6	-58.8	0	0	0	0	113.6	I733 G734	I733-S737 PolarHBondContact O-OG 3.49Å; G734-S737 PolarHBondContact O-N 3.09Å; G734-S737 VanDerWaalsContact O-N 3.16Å
738	T	54.3	Low	62.8	Low	120 Å²	120	66.7 Å²	66.7	74%	0.736	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	-7	-169.2	55.1	0	0	0	0	114.5	D735 I736	D735-T738 PolarHBondContact O-OG1 3.25Å; I736-T738 PolarHBondContact O-N 2.96Å
739	T	50.7	Low	62	Low	89 Å²	89	64.6 Å²	64.6	55%	0.546	40%	0.399	S	S	.	.	S	Bend	trans	-121	-1.2	-160.1	47	0	0	0	0	116.6	D735 I736	D735-T739 PolarHBondContact O-OG1 3.03Å; I736-T739 PolarHBondContact O-OG1 3.27Å
740	T	54.3	Low	60.6	Low	28 Å²	28	70.1 Å²	70.1	17%	0.172	43%	0.429	C	S	.	.			trans	-120.7	142.8	-166.6	63.4	0	0	0	0	115.4	G5 L9 R290	G5-T740 WeakPolarHBondContact O-CG2 3.22Å; L9-T740 HydrophobicContact CD1-CG2 4.17Å; L9-T740 HydrophobicContact CD2-CG2 4.48Å; L9-T740 HydrophobicContact CG-CG2 4.36Å; R290-T740 PolarHBondContact NH1-O 2.71Å; R290-T740 PolarHBondContact NH1-OG1 3.49Å
741	I	50.8	Low	59	Low	136 Å²	136	72.8 Å²	72.8	70%	0.697	44%	0.443	S	S	*	.			trans	-110.4	150.2	172.1	-58.8	174.9	0	0	0	108.6
742	S	47.5	Very low	57.3	Low	52 Å²	52	73.2 Å²	73.2	36%	0.364	45%	0.446	S	S	.	.			trans	-119.4	152.2	-175.7	-174.7	0	0	0	0	113.1
743	T	54.4	Low	56.2	Low	71 Å²	71	77.6 Å²	77.6	44%	0.436	46%	0.461	S	S	.	.			trans	-108.4	127.4	167.2	56.8	0	0	0	0	109.6
744	P	49.8	Very low	54.9	Low	128 Å²	128	82.8 Å²	82.8	83%	0.831	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-65.6	139.2	-176.1	26.5	-34.4	0	0	0	112.8
745	V	56.9	Low	53.5	Low	42 Å²	42	86 Å²	86	26%	0.255	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-80.6	144.2	172.9	-178.7	0	0	0	0	109.3
746	P	55	Low	52.2	Low	81 Å²	81	89.9 Å²	89.9	53%	0.526	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-49.8	156	173.8	-30.3	37.2	0	0	0	114.2	R228	R228-P746 VanDerWaalsContact CZ-O 3.29Å; R228-P746 PolarHBondContact NE-O 3.43Å; R228-P746 PolarHBondContact NH2-O 2.77Å
747	P	51.9	Low	50.9	Low	102 Å²	102	98.9 Å²	98.9	66%	0.662	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-60.1	164.9	174.7	26.9	-35.4	0	0	0	112.1
748	P	57.5	Low	49.9	Very low	90 Å²	90	100.2 Å²	100.2	58%	0.584	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-54.7	152.5	167.8	-22	34.1	0	0	0	111.5
749	V	63.8	Low	48.9	Very low	70 Å²	70	100 Å²	100	42%	0.424	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-92.6	151.5	175.8	-156.9	0	0	0	0	109.5	P226	P226-V749 HydrophobicContact CB-CB 3.93Å; P226-V749 HydrophobicContact CB-CG1 3.5Å; P226-V749 VanDerWaalsContact CB-CG1 3.5Å; P226-V749 HydrophobicContact CB-CG2 4.28Å; P226-V749 HydrophobicContact CG-CG1 4.11Å
750	D	49.1	Very low	48.3	Very low	117 Å²	117	101.7 Å²	101.7	63%	0.626	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-96.6	128.4	-167.8	-167.1	10.5	0	0	0	112.3	T752	D750-T752 PolarHBondContact O-N 2.67Å; D750-T752 VanDerWaalsContact O-N 3.16Å; D750-T752 WeakPolarHBondContact OD2-CG2 3.46Å
751	D	50.4	Low	47.7	Very low	81 Å²	81	106.5 Å²	106.5	43%	0.433	63%	0.629	S	S	.	*			trans	-83.9	16.7	-167.8	-85.7	-43.4	0	0	0	114.7	W753 I754	D751-W753 PolarHBondContact O-N 2.69Å; D751-W753 PolarHBondContact OD1-NE1 3.16Å; D751-I754 HydrophobicContact CB-CD1 4.08Å; D751-I754 PolarHBondContact O-N 2.99Å
752	T	47.7	Very low	46.8	Very low	101 Å²	101	105 Å²	105	62%	0.62	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-12.5	-175.2	52.1	0	0	0	0	115.5	D750	D750-T752 PolarHBondContact O-N 2.67Å; D750-T752 VanDerWaalsContact O-N 3.16Å; D750-T752 WeakPolarHBondContact OD2-CG2 3.46Å
753	W	50.4	Low	46.1	Very low	113 Å²	113	107.2 Å²	107.2	43%	0.428	66%	0.658	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.5	-23.3	175.2	65.8	-79.8	0	0	0	113.8	L225 D751 A755	L225-W753 HydrophobicContact CD1-CH2 3.89Å; L225-W753 HydrophobicContact CD1-CZ2 3.72Å; D751-W753 PolarHBondContact O-N 2.69Å; D751-W753 PolarHBondContact OD1-NE1 3.16Å; W753-A755 VanDerWaalsContact C-N 3.27Å; W753-A755 PolarHBondContact O-N 2.91Å
754	I	49.6	Very low	44.9	Very low	109 Å²	109	108.9 Å²	108.9	56%	0.559	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-22.5	-176.8	-63.3	179	0	0	0	112.2	D751 K756	D751-I754 HydrophobicContact CB-CD1 4.08Å; D751-I754 PolarHBondContact O-N 2.99Å; I754-K756 PolarHBondContact O-N 3.03Å; I754-K756 VanDerWaalsContact O-N 3.08Å
755	A	42.1	Very low	44	Very low	90 Å²	90	114.2 Å²	114.2	74%	0.744	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	26.7	-174.3	0	0	0	0	0	115.2	W753	W753-A755 VanDerWaalsContact C-N 3.27Å; W753-A755 PolarHBondContact O-N 2.91Å
756	K	39.7	Very low	43.2	Very low	187 Å²	187	117.6 Å²	117.6	81%	0.813	70%	0.699	S	S	*	*			trans	-130.2	61.5	-175.1	-79.3	-165.9	176.5	-179.5	0	115.1	I754	I754-K756 PolarHBondContact O-N 3.03Å; I754-K756 VanDerWaalsContact O-N 3.08Å
757	E	34.3	Very low	41.9	Very low	197 Å²	197	121.6 Å²	121.6	92%	0.921	72%	0.715	S	S	*	*			trans	-113.6	138.4	142.4	-70.1	-162.9	136.3	0	0	108.9
758	A	38.2	Very low	40.9	Very low	101 Å²	101	120.8 Å²	120.8	84%	0.835	72%	0.717	S	S	*	*			trans	-127.4	116.6	-170	0	0	0	0	0	111.7
759	S	33.7	Very low	39.5	Very low	116 Å²	116	121.6 Å²	121.6	81%	0.811	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-64.9	146	167.9	-58.2	0	0	0	0	111.1
760	P	36.5	Very low	38	Very low	123 Å²	123	124 Å²	124	80%	0.799	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-69.3	153.1	-174.8	27.7	-35.2	0	0	0	113.3
761	P	41.4	Very low	37	Very low	129 Å²	129	123 Å²	123	84%	0.838	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-87.5	151.3	-169.1	34.4	-36.6	0	0	0	114.7
762	A	32.7	Very low	36.4	Very low	104 Å²	104	124.8 Å²	124.8	86%	0.86	76%	0.764	S	S	*	*			trans	-106.1	158.3	161.2	0	0	0	0	0	110.7
763	A	32.5	Very low	36.5	Very low	99 Å²	99	125.4 Å²	125.4	82%	0.818	77%	0.77	S	S	*	*			trans	-84.2	162.2	-157.8	0	0	0	0	0	117.4
764	S	30.1	Very low	36.5	Very low	106 Å²	106	125.1 Å²	125.1	74%	0.741	78%	0.782	S	S	*	*			trans	-46.8	130.1	175.1	43.1	0	0	0	0	115.8
765	R	30.8	Very low	35.5	Very low	241 Å²	241	127.8 Å²	127.8	91%	0.909	80%	0.798	S	S	*	*				70.9	164.5	90.6	-99.7	-173.4	175.9	-172.9	0.3	114.5
766	P	39.3	Very low	35.1	Very low	112 Å²	112	134.6 Å²	134.6	73%	0.727	80%	0.804	S	S	*	*			cis	-115	-157	1.4	38.5	-19.8	0	0	0	110.9
767	L	28.2	Very low	35.4	Very low	166 Å²	166	131 Å²	131	87%	0.869	80%	0.8	S	S	*	*			cis	-160.6	179.4	-13.9	-120.2	165.2	0	0	0	104.4
768	A	30	Very low	36.4	Very low	84 Å²	84	126.8 Å²	126.8	69%	0.694	79%	0.79	S	S	*	*			cis	-152.4	-159.4	6.7	0	0	0	0	0	111.6
769	S	29.8	Very low	36.3	Very low	108 Å²	108	126.9 Å²	126.9	76%	0.755	79%	0.79	S	S	*	*			trans	-95.3	173.9	169.5	49.8	0	0	0	0	111.4
770	T	31.5	Very low	36.2	Very low	121 Å²	121	125.1 Å²	125.1	74%	0.742	78%	0.783	S	S	*	*			cis	-164.2	155.4	38	49.9	0	0	0	0	114.3
771	A	28.2	Very low	35.9	Very low	95 Å²	95	131.4 Å²	131.4	79%	0.785	79%	0.791	S	S	*	*			trans	69.9	167.3	141.1	0	0	0	0	0	121.1
772	P	37.8	Very low	35.3	Very low	118 Å²	118	128.4 Å²	128.4	77%	0.766	78%	0.784	S	S	*	*			trans	-123	-147.6	-155.2	36.2	-16.3	0	0	0	115.7
773	P	49.7	Very low	36.2	Very low	115 Å²	115	129.4 Å²	129.4	75%	0.747	78%	0.781	S	S	*	*				-102.2	-147.6	-93.4	44.4	-28.9	0	0	0	111.2
774	P	51.1	Low	37	Very low	106 Å²	106	130.7 Å²	130.7	69%	0.688	78%	0.781	S	S	*	*			cis	-133.1	-177.7	-18.8	41.5	-23.9	0	0	0	115.8
775	N	28.3	Very low	37	Very low	166 Å²	166	130.4 Å²	130.4	89%	0.888	79%	0.785	S	S	*	*			trans	72.8	154.7	150.8	-95.9	-17.6	0	0	0	124.1
776	R	33.7	Very low	37	Very low	232 Å²	232	122.2 Å²	122.2	88%	0.875	78%	0.775	S	S	*	*			trans	-71.4	176.5	176.9	-95.1	-178.2	-179	-178.1	0.9	114.4
777	P	44.5	Very low	36.7	Very low	111 Å²	111	121.6 Å²	121.6	72%	0.721	78%	0.78	S	S	*	*			cis	-136.3	-132.3	-21.1	38.7	-16.3	0	0	0	110.6
778	P	57.2	Low	37.4	Very low	110 Å²	110	120 Å²	120	71%	0.714	78%	0.78	S	S	*	*				-122.4	170.6	-52.7	35.6	-19.8	0	0	0	115.8
779	A	34.3	Very low	37.5	Very low	102 Å²	102	120.4 Å²	120.4	84%	0.843	78%	0.783	S	S	*	*			trans	69.8	169.1	154.2	0	0	0	0	0	118.2
780	A	31.5	Very low	38.6	Very low	80 Å²	80	120.5 Å²	120.5	66%	0.661	78%	0.781	S	S	*	*			cis	-156.2	154.6	6.1	0	0	0	0	0	114.5
781	R	31.8	Very low	38.5	Very low	254 Å²	254	123 Å²	123	96%	0.958	79%	0.789	S	S	*	*			trans	61.4	149.4	151	-67.3	168.5	175.7	168.5	-2.4	119.7
782	G	29	Very low	38.9	Very low	67 Å²	67	125.6 Å²	125.6	69%	0.691	79%	0.79	S	S	*	*			cis	-173.9	176.2	-2.1	0	0	0	0	0	114.8
783	P	51.3	Low	39.5	Very low	125 Å²	125	124.9 Å²	124.9	81%	0.812	79%	0.785	S	S	*	*			trans	-102.6	-161.6	-175.4	46.3	-38.6	0	0	0	111.2
784	P	49.7	Very low	38.6	Very low	125 Å²	125	125.1 Å²	125.1	81%	0.812	79%	0.789	S	S	*	*				-131.5	-171.6	54.1	27	-1.3	0	0	0	112.7
785	A	30	Very low	38.3	Very low	101 Å²	101	125.8 Å²	125.8	84%	0.835	79%	0.794	S	S	*	*			cis	-149.6	172.9	19.9	0	0	0	0	0	114.4
786	G	29.3	Very low	38.4	Very low	68 Å²	68	122.6 Å²	122.6	70%	0.701	79%	0.79	S	S	*	*			trans	-113	165.3	176.3	0	0	0	0	0	113.4
787	A	33.3	Very low	38.4	Very low	100 Å²	100	121.7 Å²	121.7	83%	0.826	79%	0.793	S	S	*	*				85.9	140.7	76.3	0	0	0	0	0	113.6
788	P	42.6	Very low	37.7	Very low	133 Å²	133	119.9 Å²	119.9	86%	0.864	80%	0.795	S	S	*	*				-141.3	-177.1	99.2	38.9	-24.3	0	0	0	115.1
789	A	32.2	Very low	36.6	Very low	92 Å²	92	119.3 Å²	119.3	76%	0.76	80%	0.799	S	S	*	*			trans	-138	-158.7	-175.9	0	0	0	0	0	108.5
790	P	53.8	Low	36.7	Very low	109 Å²	109	120.3 Å²	120.3	71%	0.708	80%	0.797	S	S	*	*			cis	-139.2	176.8	-6.1	40.8	-22	0	0	0	116.2
791	L	28.4	Very low	37.1	Very low	174 Å²	174	122.5 Å²	122.5	91%	0.911	80%	0.804	S	S	*	*				176.6	167.8	121.3	-91.7	168.7	0	0	0	111.8
792	N	38.6	Very low	37.4	Very low	150 Å²	150	116.8 Å²	116.8	80%	0.802	80%	0.797	S	S	*	*			trans	-127.2	177.3	-167.5	-140.5	14.7	0	0	0	109.7
793	P	49.1	Very low	38.1	Very low	102 Å²	102	119.4 Å²	119.4	66%	0.662	80%	0.802	S	S	*	*			cis	-134.8	173.1	-8	42.7	-26.9	0	0	0	115.8
794	S	31.5	Very low	37.5	Very low	120 Å²	120	119.2 Å²	119.2	84%	0.839	80%	0.804	S	S	*	*			trans	-171.4	164.1	151.9	-89.5	0	0	0	0	114.3
795	P	43.8	Very low	36.7	Very low	121 Å²	121	124.7 Å²	124.7	79%	0.786	81%	0.808	S	S	*	*			trans	-112.1	174.9	-166.8	42.1	-34.8	0	0	0	116.3
796	A	32	Very low	36.9	Very low	99 Å²	99	125.8 Å²	125.8	82%	0.818	81%	0.807	S	S	*	*			trans	-145.8	154.9	165.2	0	0	0	0	0	111.8
797	F	31.9	Very low	36.9	Very low	213 Å²	213	126.3 Å²	126.3	93%	0.934	81%	0.812	S	S	*	*			trans	-105.3	160.8	-175.6	-94.6	-105.9	0	0	0	113.4
798	G	31.3	Very low	36.9	Very low	73 Å²	73	126.4 Å²	126.4	75%	0.753	81%	0.813	S	S	*	*			trans	-128.7	164.1	172.2	0	0	0	0	0	113
799	A	33.3	Very low	36.4	Very low	97 Å²	97	126.1 Å²	126.1	80%	0.802	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-86.9	158.6	-171	0	0	0	0	0	114.6
800	P	37.1	Very low	36.3	Very low	123 Å²	123	127.5 Å²	127.5	80%	0.799	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-88.6	157.1	-175	35.2	-36.3	0	0	0	115
801	P	40.3	Very low	35.6	Very low	126 Å²	126	126.6 Å²	126.6	82%	0.818	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-96	170.4	179.9	38.2	-36.3	0	0	0	115.2
802	V	38.1	Very low	35.7	Very low	134 Å²	134	128.8 Å²	128.8	81%	0.812	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-87.8	141.1	-177.8	-179.1	0	0	0	0	112.2
803	P	43.3	Very low	35.2	Very low	122 Å²	122	129.7 Å²	129.7	79%	0.792	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-84.1	149.8	178.2	33.4	-35.5	0	0	0	114.3
804	S	38.2	Very low	34.3	Very low	121 Å²	121	128.6 Å²	128.6	85%	0.846	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-104	158.2	-176.9	-67.8	0	0	0	0	114.4
805	R	32	Very low	34.3	Very low	241 Å²	241	130.3 Å²	130.3	91%	0.909	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-77.2	136.4	-174.2	-171.1	-177.7	-171.2	174.8	4.1	113.3
806	P	34.2	Very low	33.6	Very low	124 Å²	124	130.4 Å²	130.4	81%	0.805	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-75	153.5	173.8	-14.9	30.1	0	0	0	114
807	G	31	Very low	33.7	Very low	78 Å²	78	130.6 Å²	130.6	80%	0.804	82%	0.816	S	S	*	*			trans	-100.9	175.8	172.7	0	0	0	0	0	114
808	A	31.8	Very low	33.8	Very low	102 Å²	102	126.7 Å²	126.7	84%	0.843	81%	0.809	S	S	*	*			trans	-88.1	152.3	-175.1	0	0	0	0	0	114.1
809	P	33.6	Very low	33.8	Very low	128 Å²	128	128.8 Å²	128.8	83%	0.831	81%	0.81	S	S	*	*			trans	-92.2	163.4	179.8	37	-35.8	0	0	0	114.3
810	S	28.8	Very low	33.9	Very low	120 Å²	120	132.4 Å²	132.4	84%	0.839	82%	0.815	S	S	*	*			trans	-141.4	165.5	169.5	-115.3	0	0	0	0	109.4
811	P	39.9	Very low	33.9	Very low	91 Å²	91	134 Å²	134	59%	0.591	82%	0.815	S	S	*	*				-116.3	170.3	-128.8	39.9	-33.5	0	0	0	117.5
812	Y	29.8	Very low	33.6	Very low	220 Å²	220	133.9 Å²	133.9	86%	0.863	81%	0.814	S	S	*	*			trans	69.7	129.4	179.2	-47.6	-76.7	0	0	0	112.9
813	D	27.6	Very low	33.5	Very low	168 Å²	168	133.3 Å²	133.3	90%	0.898	82%	0.816	S	S	*	*				-141.7	-175.3	57.4	-138	-34.1	0	0	0	115
814	A	30.3	Very low	33	Very low	80 Å²	80	139 Å²	139	66%	0.661	82%	0.822	S	S	*	*			trans	-104	175.1	-161.8	0	0	0	0	0	117.9
815	N	31.4	Very low	32.9	Very low	156 Å²	156	138.4 Å²	138.4	83%	0.834	82%	0.815	S	S	*	*			trans	73.7	96.5	168.7	-65.8	-22.1	0	0	0	119.7
816	S	30.4	Very low	33	Very low	123 Å²	123	132.7 Å²	132.7	86%	0.86	81%	0.809	S	S	*	*				-168.9	155.6	121.2	-84.4	0	0	0	0	113.3
817	A	33.6	Very low	33.1	Very low	102 Å²	102	138.8 Å²	138.8	84%	0.843	82%	0.816	S	S	*	*			trans	-44.8	147.6	-167.1	0	0	0	0	0	119.2
818	V	33.9	Very low	33.5	Very low	131 Å²	131	141.2 Å²	141.2	79%	0.794	82%	0.815	S	S	*	*			trans	-109.7	128.6	174	-178.3	0	0	0	0	110.9
819	P	32.1	Very low	33.8	Very low	118 Å²	118	141.6 Å²	141.6	77%	0.766	81%	0.809	S	S	*	*			trans	-78.1	135.5	170.2	-12.5	29	0	0	0	112.4
820	L	35.3	Very low	34	Very low	172 Å²	172	141.6 Å²	141.6	90%	0.901	81%	0.809	S	S	*	*			trans	-86.4	135.1	174	-75.6	163.9	0	0	0	111.5
821	I	37.3	Very low	34.3	Very low	158 Å²	158	140.7 Å²	140.7	81%	0.81	81%	0.809	S	S	*	*			trans	-104.4	130.2	172.4	-59.1	177.9	0	0	0	108.4
822	P	33.5	Very low	34.3	Very low	122 Å²	122	144.2 Å²	144.2	79%	0.792	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-74.1	140.2	-173.8	28.9	-35.1	0	0	0	113.3
823	S	35.7	Very low	34.9	Very low	122 Å²	122	139.2 Å²	139.2	85%	0.853	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-81.4	149.2	176.9	49.5	0	0	0	0	112.7
824	R	32.8	Very low	35.5	Very low	242 Å²	242	137.6 Å²	137.6	91%	0.913	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-99.3	130.1	-175.7	-162.8	-178.2	-163.9	-178.2	7.4	110.9
825	P	37	Very low	35.8	Very low	109 Å²	109	137.2 Å²	137.2	71%	0.708	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-75.5	157.7	-178.6	30.3	-35.6	0	0	0	113.3
826	P	34.2	Very low	36	Very low	121 Å²	121	137.7 Å²	137.7	79%	0.786	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-72.5	152.8	179	30.8	-35.8	0	0	0	112.8
827	R	35.7	Very low	36.3	Very low	251 Å²	251	137.5 Å²	137.5	95%	0.947	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-86.1	129.4	173.3	-84.6	-177.2	165.9	-179.4	-5.3	111.4
828	V	38.3	Very low	36.5	Very low	130 Å²	130	138.7 Å²	138.7	79%	0.788	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-96.8	140.8	167.5	-178.6	0	0	0	0	108.4
829	P	39	Very low	36.5	Very low	109 Å²	109	144 Å²	144	71%	0.708	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.6	151.9	175.5	28.8	-34.5	0	0	0	112.1
830	P	37.5	Very low	37	Very low	128 Å²	128	149.9 Å²	149.9	83%	0.831	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-72.1	144.5	-176.1	29.8	-35.2	0	0	0	112.8
831	A	34.5	Very low	37.2	Very low	101 Å²	101	147.1 Å²	147.1	84%	0.835	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-84	151.1	176.5	0	0	0	0	0	112.5
832	L	40.9	Very low	37.2	Very low	166 Å²	166	145.5 Å²	145.5	87%	0.869	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-86	150.1	171.4	-75.9	164.7	0	0	0	111.5
833	P	42.4	Very low	37.4	Very low	114 Å²	114	144.4 Å²	144.4	74%	0.74	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-72.9	148.2	175.4	31.2	-35.1	0	0	0	111.8
834	P	39.6	Very low	37.4	Very low	135 Å²	135	142.8 Å²	142.8	88%	0.877	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-87.2	137.8	-175.1	33.2	-34.4	0	0	0	113.8
835	G	36.4	Very low	37.8	Very low	71 Å²	71	137.4 Å²	137.4	73%	0.732	81%	0.814	S	S	*	*			trans	116.9	92.7	151.8	0	0	0	0	0	117.5
836	I	35.8	Very low	37.7	Very low	167 Å²	167	140 Å²	140	86%	0.856	82%	0.822	S	S	*	*			trans	-161.6	145.7	142	-102	151.2	0	0	0	107.9
837	P	37.6	Very low	37.7	Very low	118 Å²	118	145.5 Å²	145.5	77%	0.766	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-74.4	153.8	-168.6	-19	34	0	0	0	115.4
838	S	36.8	Very low	37.9	Very low	128 Å²	128	139 Å²	139	90%	0.895	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-74.7	124.3	-177.5	41.4	0	0	0	0	113.7
839	R	34.9	Very low	37.7	Very low	241 Å²	241	139.3 Å²	139.3	91%	0.909	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-98.1	134.7	161.6	-81.2	-175.4	168.1	-174.2	-3.4	110
840	R	41.9	Very low	37.5	Very low	242 Å²	242	141.5 Å²	141.5	91%	0.913	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-65.9	142.4	166.7	-75.5	-179.1	172.7	175.3	-2.6	110.1
841	P	38.6	Very low	37.5	Very low	114 Å²	114	142.7 Å²	142.7	74%	0.74	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-67.6	153.1	158.6	31.1	-33.5	0	0	0	110.4
842	P	38.2	Very low	37.5	Very low	125 Å²	125	148.7 Å²	148.7	81%	0.812	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-74.9	164.4	179	32.2	-35.8	0	0	0	112.6
843	A	37.5	Very low	37.3	Very low	98 Å²	98	146.9 Å²	146.9	81%	0.81	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-69.8	150.1	173.5	0	0	0	0	0	112
844	A	35.8	Very low	37	Very low	89 Å²	89	146.9 Å²	146.9	74%	0.736	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.7	145.9	174.1	0	0	0	0	0	111.6
845	P	41.5	Very low	36.8	Very low	128 Å²	128	149.6 Å²	149.6	83%	0.831	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-72.3	142.5	176.2	30	-34.4	0	0	0	111.7
846	N	35.6	Very low	37.3	Very low	164 Å²	164	152.1 Å²	152.1	88%	0.877	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-66.1	139.2	179.3	-77	-26.6	0	0	0	112.4
847	R	33.5	Very low	37.5	Very low	236 Å²	236	149.2 Å²	149.2	89%	0.891	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-72.8	135.8	170	-164.7	-177.1	-161.4	-170.1	6.5	109.7
848	P	39	Very low	37.9	Very low	115 Å²	115	150.9 Å²	150.9	75%	0.747	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-69.7	141.8	177	28.2	-34.6	0	0	0	111.9
849	T	34.3	Very low	38.5	Very low	136 Å²	136	151.2 Å²	151.2	83%	0.834	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-77	123.1	179.9	-36.3	0	0	0	0	110.9
850	I	35.6	Very low	38.8	Very low	156 Å²	156	150.3 Å²	150.3	80%	0.8	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-84.2	121.9	169.6	-66.2	177.1	0	0	0	108.8
851	I	36.2	Very low	38.6	Very low	153 Å²	153	145.8 Å²	145.8	79%	0.785	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-75.1	127.4	174	-60.8	170.5	0	0	0	108.5
852	R	34.5	Very low	38.6	Very low	226 Å²	226	147.4 Å²	147.4	85%	0.853	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-90.1	136.9	162.6	-76.4	-175.3	172.1	-176.9	-2.8	109.2
853	P	37.3	Very low	38.6	Very low	128 Å²	128	148.7 Å²	148.7	83%	0.831	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-67.5	154	168.1	30.5	-34.1	0	0	0	110.7
854	S	37	Very low	38.7	Very low	114 Å²	114	151.6 Å²	151.6	80%	0.797	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-95.2	137.4	179.9	52.7	0	0	0	0	112.1
855	E	35.3	Very low	38.9	Very low	192 Å²	192	155.6 Å²	155.6	90%	0.897	84%	0.837	S	S	*	*			trans	-122.8	153.9	155.8	-76.7	-163.6	142.8	0	0	109.9
856	P	45.9	Very low	38.7	Very low	124 Å²	124	157.4 Å²	157.4	81%	0.805	84%	0.837	S	S	*	*			trans	-91.9	152.9	-153.5	34.7	-36.3	0	0	0	115.2
857	S	41.1	Very low	38.9	Very low	106 Å²	106	156.9 Å²	156.9	74%	0.741	83%	0.834	S	S	*	*			trans	-73.8	149	157.7	170	0	0	0	0	110.6
858	L	45.4	Very low	39.4	Very low	153 Å²	153	150.8 Å²	150.8	80%	0.801	83%	0.83	S	S	*	*			trans	-163.6	99.4	144.2	-104.4	173.5	0	0	0	110.6
859	L	49	Very low	39.4	Very low	136 Å²	136	153.8 Å²	153.8	71%	0.712	84%	0.837	S	S	*	*			trans	56.1	150.6	144.2	-58	176.1	0	0	0	120.8
860	D	41.1	Very low	39.8	Very low	222 Å²	222	155.5 Å²	155.5	100%	1.187	84%	0.837	S	S	*	*			cis	-117	0	-1.9	-81.5	-56.9	0	0	0	111.4

Retrieved 860 of 860 residues in 200 ms (Link to these results)

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