A0A096NEJ4_PAPAN Loading...

Semaphorin-6A

(Microbial infection) Acts as a receptor for P.sordellii toxin TcsL in the in the vascular endothelium. Cell surface receptor for PLXNA2 that plays an important role in cell-cell signaling. Required for normal granule cell migration in the developing cerebellum. Promotes reorganization of the actin cytoskeleton and plays an important role in axon guidance in the developing central nervous system. Can act as repulsive axon guidance cue. Has repulsive action towards migrating granular neurons. May play a role in channeling sympathetic axons into the sympathetic chains and controlling the temporal sequence of sympathetic target innervation.

AlphaFold DB , UniProt , Accession A0A096NEJ4, Species PAPAN (Papio anubis, Olive baboon), Gene SEMA6A, Length 1,047 aa.

						>A0A096NEJ4_PAPAN|A0A096NEJ4|SEMA6A
MRSEALLLYFTLLHFAGAGFPEDSEPISISHGNYTKQYPVFVGHKPGRNTTQRHRLDIQMIMIMNGTLYIAARDHIYTVDIDTSHTEEIYCSKKLTWKSRQADVDTCRMKGKHKDECHNFIKVLLKKNDDALFVCGTNAFNPSCRNYKMDTLEPFGDEFSGMARCPYDAKHANVALFADGKLYSATVTDFLAIDAVIYRSLGESPTLRTVKHDSKWLKEPYFVQAVDYGDYIYFFFREIAVEYNTMGKVVFPRVAQVCKNDMGGSQRVLEKQWTSFLKARLNCSVPGDSHFYFNILQAVTDVIRINGRDVVLATFSTPYNSIPGSAVCAYDMLDIASVFTGRFKEQKSPDSTWTPVPDERVPKPRPGCCAGSSSLERYATSNEFPDDTLNFIKTHPLMDEAVPSIFNRPWFLRTMVRYRLTKIAVDTAAGPYQNHTVVFLGSEKGIILKFLARIGNSGFLNDSLFLEEMSVYNPEKCSYDGVEDKRIMGMQLDRASSSLYVAFSTCVIKVPLGRCERHGKCKKTCIASRDPYCGWIKEGGACTHLSPNSRLTFEQDIERGNTDGLGDCHNSFVALNDISTPLPDHEMSYNTVYGHSSSLLPSTTTSDSTAQEGYESRGGMLDWKHLLDSPDSTDPLGAVSSHNHQDKKGVIRESYLKGHDQLVPVTLLAIAVILAFVMGAVFSGITVYCVCDHRRKDVAVVQRKEKELTHSRRGSMSSVTKLSGLFGDTQSKDPKPEAILTPLMHNGKLATPGNTAKMLIKADQHHLDLTALPTPESTPTLQQKRKPSRGSREWERNQNLINACTKDLPPMGSPVIPTDLPLRASPSHIPSVVVLPITQQGYQHEYVDQPKMSEVAQMALEDQAATLEYKTIKEHLSSKSPNHGVNLVENLDSLPPKVPQREASLGPPGASLSQTGLSKRLEMHHSSSYGVDYKRSYPTNSLTRSHQATTLKRNNTNSSNSSHLSRNQSFGRGDNPPPAPQRVDSIQVHSSQPSGQAVTVSRQPSLNACNSLTRSGLKRTPSLKPDVPPKPSFAPLSTSMKPNDACT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.6	Very low	61.6	Low	196 Å²	196	125.7 Å²	125.7	97%	0.966	62%	0.623	S	S	*	*				0	-67	0	-61.4	-166.5	85.8	0	0	114.6	S3 E4 A5	M1-S3 PolarHBondContact O-N 2.7Å; M1-E4 WeakPolarHBondContact CA-OE2 3.41Å; M1-E4 PolarHBondContact N-OE2 3.42Å; M1-E4 PolarHBondContact O-N 3.47Å; M1-A5 PolarHBondContact O-N 2.64Å
2	R	62.8	Low	61.1	Low	231 Å²	231	123.8 Å²	123.8	87%	0.872	62%	0.616	S	S	*	*	H	α-helix	trans	-64.4	-37	-172	-91.3	-172.9	176	174	-0.3	115.1	L6	R2-L6 PolarHBondContact O-N 3.18Å
3	S	53.2	Low	60.6	Low	87 Å²	87	119.5 Å²	119.5	61%	0.608	60%	0.596	S	S	*	*	H	α-helix	trans	-68.9	-45.9	177.5	-165.3	0	0	0	0	111.8	M1 A5 L6 L7	M1-S3 PolarHBondContact O-N 2.7Å; S3-A5 VanDerWaalsContact C-N 3.32Å; S3-A5 PolarHBondContact O-N 3.17Å; S3-L6 WeakPolarHBondContact O-CB 2.93Å; S3-L6 PolarHBondContact O-N 3.44Å; S3-L6 VanDerWaalsContact O-N 3.1Å; S3-L7 PolarHBondContact O-N 3.08Å
4	E	63.2	Low	59.9	Low	132 Å²	132	121.4 Å²	121.4	62%	0.617	60%	0.602	S	S	*	*	H	α-helix	trans	-63.3	-36.8	178.3	-61.7	141.8	131	0	0	112	M1 L6 L7 L8	M1-E4 WeakPolarHBondContact CA-OE2 3.41Å; M1-E4 PolarHBondContact N-OE2 3.42Å; M1-E4 PolarHBondContact O-N 3.47Å; E4-L6 VanDerWaalsContact C-N 3.31Å; E4-L6 PolarHBondContact O-N 3.18Å; E4-L7 PolarHBondContact O-N 3.05Å; E4-L8 VanDerWaalsContact O-CB 3.28Å; E4-L8 WeakPolarHBondContact O-CB 3.12Å; E4-L8 PolarHBondContact O-N 2.63Å
5	A	66.9	Low	59.4	Low	61 Å²	61	125.6 Å²	125.6	50%	0.504	62%	0.616	S	S	.	*	H	α-helix	trans	-64.5	-34.9	174.7	0	0	0	0	0	112.6	M1 S3 Y9	M1-A5 PolarHBondContact O-N 2.64Å; S3-A5 VanDerWaalsContact C-N 3.32Å; S3-A5 PolarHBondContact O-N 3.17Å; A5-Y9 VanDerWaalsContact O-CB 3.29Å; A5-Y9 WeakPolarHBondContact O-CB 3.11Å; A5-Y9 PolarHBondContact O-N 2.87Å
6	L	66.7	Low	58.9	Low	102 Å²	102	122.3 Å²	122.3	53%	0.534	62%	0.615	S	S	.	*	H	α-helix	trans	-70	-43.3	171.5	-85.6	162.6	0	0	0	111.6	R2 S3 E4 L8 Y9 F10	R2-L6 PolarHBondContact O-N 3.18Å; S3-L6 WeakPolarHBondContact O-CB 2.93Å; S3-L6 PolarHBondContact O-N 3.44Å; S3-L6 VanDerWaalsContact O-N 3.1Å; E4-L6 VanDerWaalsContact C-N 3.31Å; E4-L6 PolarHBondContact O-N 3.18Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L8 PolarHBondContact O-N 3.11Å; L6-Y9 PolarHBondContact O-N 3.35Å; L6-F10 HydrophobicContact CD2-CE2 4.35Å; L6-F10 VanDerWaalsContact O-CD2 3.3Å; L6-F10 WeakPolarHBondContact O-CD2 3.27Å; L6-F10 PolarHBondContact O-N 2.68Å
7	L	69.2	Low	58.4	Low	119 Å²	119	118.6 Å²	118.6	62%	0.623	62%	0.615	S	S	*	*	H	α-helix	trans	-61.2	-40.7	174.8	-124.2	97.3	0	0	0	111.8	S3 E4 T11	S3-L7 PolarHBondContact O-N 3.08Å; E4-L7 PolarHBondContact O-N 3.05Å; L7-T11 WeakPolarHBondContact O-CB 3.3Å; L7-T11 WeakPolarHBondContact O-CG2 3.21Å; L7-T11 PolarHBondContact O-N 3.41Å; L7-T11 PolarHBondContact O-OG1 3.32Å
8	L	69.2	Low	58.2	Low	110 Å²	110	116.4 Å²	116.4	58%	0.576	62%	0.617	S	S	*	*	H	α-helix	trans	-66.3	-39.8	175.7	-157.4	82	0	0	0	110.9	E4 L6 T11 L12	E4-L8 VanDerWaalsContact O-CB 3.28Å; E4-L8 WeakPolarHBondContact O-CB 3.12Å; E4-L8 PolarHBondContact O-N 2.63Å; L6-L8 VanDerWaalsContact C-N 3.31Å; L6-L8 PolarHBondContact O-N 3.11Å; L8-T11 WeakPolarHBondContact CA-OG1 3.33Å; L8-T11 PolarHBondContact O-OG1 2.88Å; L8-T11 VanDerWaalsContact O-OG1 3.11Å; L8-L12 HydrophobicContact CD2-CD1 4.28Å; L8-L12 HydrophobicContact CG-CD1 4.12Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 WeakPolarHBondContact O-CD1 3.48Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.36Å
9	Y	64.4	Low	59	Low	143 Å²	143	113.3 Å²	113.3	56%	0.561	62%	0.616	S	S	*	*	H	α-helix	trans	-68	-41.6	176.4	-172.2	-103.8	0	0	0	112.4	A5 L6 L12 L13	A5-Y9 VanDerWaalsContact O-CB 3.29Å; A5-Y9 WeakPolarHBondContact O-CB 3.11Å; A5-Y9 PolarHBondContact O-N 2.87Å; L6-Y9 PolarHBondContact O-N 3.35Å; Y9-L12 PolarHBondContact O-N 3.38Å; Y9-L13 HydrophobicContact CD1-CD1 3.83Å; Y9-L13 HydrophobicContact CE1-CD1 3.49Å; Y9-L13 VanDerWaalsContact CE1-CD1 3.49Å; Y9-L13 HydrophobicContact CE1-CG 4.28Å; Y9-L13 WeakPolarHBondContact O-CB 3.13Å; Y9-L13 WeakPolarHBondContact O-CG 3.06Å; Y9-L13 PolarHBondContact O-N 3.06Å
10	F	58.6	Low	60.3	Low	140 Å²	140	112.2 Å²	112.2	61%	0.614	61%	0.605	S	S	*	*	H	α-helix	trans	-66.4	-43.6	174.1	-85.4	-68.1	0	0	0	112.2	L6 L13 H14	L6-F10 HydrophobicContact CD2-CE2 4.35Å; L6-F10 VanDerWaalsContact O-CD2 3.3Å; L6-F10 WeakPolarHBondContact O-CD2 3.27Å; L6-F10 PolarHBondContact O-N 2.68Å; F10-L13 PolarHBondContact O-N 2.59Å; F10-H14 WeakPolarHBondContact O-CB 3.3Å; F10-H14 PolarHBondContact O-N 3.45Å
11	T	55.4	Low	61.7	Low	62 Å²	62	109.6 Å²	109.6	38%	0.38	59%	0.594	S	S	.	*	H	α-helix	trans	-66.1	-38.3	174.6	48.8	0	0	0	0	111.9	L7 L8 H14 F15	L7-T11 WeakPolarHBondContact O-CB 3.3Å; L7-T11 WeakPolarHBondContact O-CG2 3.21Å; L7-T11 PolarHBondContact O-N 3.41Å; L7-T11 PolarHBondContact O-OG1 3.32Å; L8-T11 WeakPolarHBondContact CA-OG1 3.33Å; L8-T11 PolarHBondContact O-OG1 2.88Å; L8-T11 VanDerWaalsContact O-OG1 3.11Å; T11-H14 WeakPolarHBondContact O-CB 3.3Å; T11-H14 PolarHBondContact O-N 3.42Å; T11-F15 WeakPolarHBondContact O-CB 3.28Å; T11-F15 WeakPolarHBondContact O-CD2 3.29Å; T11-F15 PolarHBondContact O-N 3.5Å
12	L	55.9	Low	63.7	Low	103 Å²	103	106.4 Å²	106.4	54%	0.539	58%	0.576	S	S	.	*	H	α-helix	trans	-64	-37.6	172.8	-77	166.5	0	0	0	112.6	L8 Y9 A16	L8-L12 HydrophobicContact CD2-CD1 4.28Å; L8-L12 HydrophobicContact CG-CD1 4.12Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 WeakPolarHBondContact O-CD1 3.48Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.36Å; Y9-L12 PolarHBondContact O-N 3.38Å; L12-A16 WeakPolarHBondContact O-CB 3.45Å; L12-A16 PolarHBondContact O-N 2.87Å
13	L	55	Low	65	Low	68 Å²	68	96 Å²	96	36%	0.356	54%	0.538	S	S	.	.	H	α-helix	trans	-65.4	-38.1	171.7	-80	169.6	0	0	0	112.4	Y9 F10 A16 G17 A18	Y9-L13 HydrophobicContact CD1-CD1 3.83Å; Y9-L13 HydrophobicContact CE1-CD1 3.49Å; Y9-L13 VanDerWaalsContact CE1-CD1 3.49Å; Y9-L13 HydrophobicContact CE1-CG 4.28Å; Y9-L13 WeakPolarHBondContact O-CB 3.13Å; Y9-L13 WeakPolarHBondContact O-CG 3.06Å; Y9-L13 PolarHBondContact O-N 3.06Å; F10-L13 PolarHBondContact O-N 2.59Å; L13-A16 PolarHBondContact O-N 2.99Å; L13-G17 PolarHBondContact O-N 3.27Å; L13-A18 HydrophobicContact CD2-CB 4.36Å; L13-A18 PolarHBondContact O-N 3.45Å
14	H	50.8	Low	66.8	Low	145 Å²	145	94.4 Å²	94.4	67%	0.671	53%	0.527	S	S	*	.	H	α-helix	trans	-67.5	-45.8	176.6	-145.3	88.5	0	0	0	110.9	F10 T11 A16 G17 E22	F10-H14 WeakPolarHBondContact O-CB 3.3Å; F10-H14 PolarHBondContact O-N 3.45Å; T11-H14 WeakPolarHBondContact O-CB 3.3Å; T11-H14 PolarHBondContact O-N 3.42Å; H14-A16 VanDerWaalsContact C-N 3.31Å; H14-A16 PolarHBondContact O-N 3.36Å; H14-G17 PolarHBondContact O-N 3.38Å; H14-G17 VanDerWaalsContact O-N 3.15Å; H14-E22 IonicContact CE1-OE2 3.96Å
15	F	52.2	Low	68.3	Low	185 Å²	185	94.7 Å²	94.7	81%	0.811	53%	0.528	S	S	*	.	H	α-helix	trans	-67.1	-26.1	172.9	-78.7	-61.9	0	0	0	113.7	T11 G17	T11-F15 WeakPolarHBondContact O-CB 3.28Å; T11-F15 WeakPolarHBondContact O-CD2 3.29Å; T11-F15 PolarHBondContact O-N 3.5Å; F15-G17 PolarHBondContact O-N 3.24Å
16	A	50.8	Low	69.7	Low	73 Å²	73	92.7 Å²	92.7	60%	0.603	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-6.6	173.3	0	0	0	0	0	113.5	L12 L13 H14 A18	L12-A16 WeakPolarHBondContact O-CB 3.45Å; L12-A16 PolarHBondContact O-N 2.87Å; L13-A16 PolarHBondContact O-N 2.99Å; H14-A16 VanDerWaalsContact C-N 3.31Å; H14-A16 PolarHBondContact O-N 3.36Å; A16-A18 PolarHBondContact O-N 3.45Å
17	G	50.9	Low	71.1	Confident	60 Å²	60	91.1 Å²	91.1	62%	0.619	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	21.2	179	0	0	0	0	0	114.2	L13 H14 F15 G19	L13-G17 PolarHBondContact O-N 3.27Å; H14-G17 PolarHBondContact O-N 3.38Å; H14-G17 VanDerWaalsContact O-N 3.15Å; F15-G17 PolarHBondContact O-N 3.24Å; G17-G19 PolarHBondContact O-N 2.88Å
18	A	55.3	Low	72.3	Confident	79 Å²	79	87 Å²	87	65%	0.653	48%	0.483	S	S	*	.			trans	-80.1	7.6	-170.4	0	0	0	0	0	114.7	L13 A16	L13-A18 HydrophobicContact CD2-CB 4.36Å; L13-A18 PolarHBondContact O-N 3.45Å; A16-A18 PolarHBondContact O-N 3.45Å
19	G	72.5	Confident	73.6	Confident	57 Å²	57	85 Å²	85	59%	0.588	47%	0.472	S	S	*	.	S	Bend	trans	-115.1	159.1	178.6	0	0	0	0	0	112.2	G17	G17-G19 PolarHBondContact O-N 2.88Å
20	F	86.2	Confident	75.1	Confident	91 Å²	91	78.2 Å²	78.2	40%	0.399	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-63.3	138	165.3	-169.2	-82.3	0	0	0	109	E22 V285 F291 F293 L412 T414	F20-E22 PolarHBondContact O-N 2.03Å; F20-V285 HydrophobicContact CD2-CG1 4.49Å; F20-V285 HydrophobicContact CE2-CB 3.98Å; F20-V285 HydrophobicContact CE2-CG1 4.21Å; F20-V285 HydrophobicContact CE2-CG2 3.93Å; F20-V285 HydrophobicContact CZ-CB 4.38Å; F20-V285 HydrophobicContact CZ-CG2 3.81Å; F20-F291 HydrophobicContact CE2-CB 3.98Å; F20-F291 AromaticContact CE2-CD1 3.75Å; F20-F291 HydrophobicContact CE2-CD1 3.75Å; F20-F291 HydrophobicContact CE2-CE1 4.39Å; F20-F291 AromaticContact CE2-CG 3.83Å; F20-F291 HydrophobicContact CE2-CG 3.83Å; F20-F291 HydrophobicContact CZ-CD1 4.22Å; F20-F293 HydrophobicContact CZ-CE2 4.35Å; F20-F293 HydrophobicContact CZ-CZ 4.05Å; F20-L412 HydrophobicContact CE1-CD1 4.42Å; F20-T414 HydrophobicContact CE1-CG2 3.7Å; F20-T414 HydrophobicContact CZ-CG2 4.29Å
21	P	88	Confident	76.8	Confident	57 Å²	57	77.3 Å²	77.3	37%	0.37	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-55.5	129.1	-176.7	-27.3	34.7	0	0	0	113.1	V285 L412	P21-V285 HydrophobicContact CG-CG1 4.17Å; P21-L412 HydrophobicContact CB-CD1 3.88Å; P21-L412 HydrophobicContact CG-CD1 4.12Å
22	E	90.1	Very high	78.4	Confident	129 Å²	129	75.5 Å²	75.5	60%	0.603	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-70.7	150.2	175.8	-174.3	153.2	-147.1	0	0	111.1	H14 F20 S24 M415	H14-E22 IonicContact CE1-OE2 3.96Å; F20-E22 PolarHBondContact O-N 2.03Å; E22-S24 PolarHBondContact O-N 2.88Å; E22-M415 HydrophobicContact CG-CE 3.85Å
23	D	90.1	Very high	80.1	Confident	12 Å²	12	77.7 Å²	77.7	6%	0.064	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-68.3	121.3	178.8	-83.3	24.3	0	0	0	109.7	R413 T414 M415	D23-R413 WeakPolarHBondContact OD2-CA 3.46Å; D23-R413 IonicContact OD2-NE 2.8Å; D23-R413 IonicContact OD2-NH1 2.71Å; D23-T414 WeakPolarHBondContact OD1-CB 3.39Å; D23-T414 PolarHBondContact OD1-N 3.37Å; D23-T414 PolarHBondContact OD1-OG1 3.21Å; D23-T414 PolarHBondContact OD2-N 2.82Å; D23-M415 HydrophobicContact CB-CG 4.26Å; D23-M415 PolarHBondContact OD2-N 3.21Å
24	S	91.9	Very high	81.9	Confident	55 Å²	55	77.5 Å²	77.5	39%	0.385	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-65.6	140.6	173.8	60.4	0	0	0	0	111.6	E22 F465	E22-S24 PolarHBondContact O-N 2.88Å; S24-F465 VanDerWaalsContact O-CD1 3.22Å; S24-F465 WeakPolarHBondContact O-CD1 3.41Å
25	E	94.7	Very high	84	Confident	138 Å²	138	70.7 Å²	70.7	65%	0.645	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-81.7	149.5	170	-73.9	-60.2	107	0	0	112.4	R413	E25-R413 IonicContact OE1-NH1 3.84Å
26	P	96.6	Very high	85.9	Confident	18 Å²	18	66 Å²	66	12%	0.117	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-80.7	149.3	178.1	33.2	-34	0	0	0	111.9	S28 I29 F465 E468	P26-S28 WeakPolarHBondContact CB-O 2.97Å; P26-S28 PolarHBondContact O-N 2.79Å; P26-I29 HydrophobicContact CG-CD1 4.06Å; P26-I29 HydrophobicContact CG-CG1 3.7Å; P26-F465 HydrophobicContact CB-CD1 3.71Å; P26-F465 HydrophobicContact CB-CD2 4.01Å; P26-F465 HydrophobicContact CB-CE1 3.71Å; P26-F465 HydrophobicContact CB-CE2 3.99Å; P26-F465 HydrophobicContact CB-CG 3.88Å; P26-F465 HydrophobicContact CB-CZ 3.85Å; P26-F465 HydrophobicContact CG-CD1 4.35Å; P26-F465 HydrophobicContact CG-CE1 4Å; P26-F465 HydrophobicContact CG-CZ 4.26Å; P26-E468 HydrophobicContact CB-CB 4.4Å; P26-E468 HydrophobicContact CG-CB 4.11Å
27	I	95.9	Very high	87.9	Confident	69 Å²	69	67.5 Å²	67.5	35%	0.354	39%	0.386	S	S	.	.	S	Bend	trans	-62.5	-28.9	172.2	-64.5	171.8	0	0	0	111.7	L464 F465 L466 A527 R529	I27-L464 HydrophobicContact CD1-CD1 4.21Å; I27-L464 HydrophobicContact CD1-CD2 4.06Å; I27-L464 HydrophobicContact CD1-CG 4.11Å; I27-F465 PolarHBondContact N-O 2.75Å; I27-L466 HydrophobicContact CD1-CD2 4.17Å; I27-L466 PolarHBondContact N-O 2.79Å; I27-A527 VanDerWaalsContact CG2-O 3.28Å; I27-A527 WeakPolarHBondContact CG2-O 3.06Å; I27-R529 HydrophobicContact CD1-CB 4.18Å; I27-R529 HydrophobicContact CD1-CG 4.39Å
28	S	94.9	Very high	90.1	Very high	34 Å²	34	65 Å²	65	24%	0.238	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152.9	-177.6	62.4	0	0	0	0	113.5	P26 L466 E467 E468	P26-S28 WeakPolarHBondContact CB-O 2.97Å; P26-S28 PolarHBondContact O-N 2.79Å; S28-L466 PolarHBondContact N-O 2.99Å; S28-L466 PolarHBondContact OG-O 2.85Å; S28-E467 VanDerWaalsContact O-CA 3.29Å; S28-E467 WeakPolarHBondContact O-CA 3.39Å; S28-E467 WeakPolarHBondContact OG-CB 3.24Å; S28-E467 WeakPolarHBondContact OG-CG 3.11Å; S28-E468 PolarHBondContact O-N 2.77Å; S28-E468 VanDerWaalsContact O-N 3.08Å
29	I	96.6	Very high	92	Very high	68 Å²	68	62.7 Å²	62.7	35%	0.349	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.9	178.6	-56.9	179.5	0	0	0	111.3	P26 H31 E468 R517	P26-I29 HydrophobicContact CG-CD1 4.06Å; P26-I29 HydrophobicContact CG-CG1 3.7Å; I29-H31 VanDerWaalsContact CG2-CE1 3.49Å; I29-H31 WeakPolarHBondContact CG2-CE1 3.49Å; I29-E468 CarbonylContact C-O 3.57Å; I29-E468 WeakPolarHBondContact CA-O 3.22Å; I29-R517 PolarHBondContact O-NH2 3.04Å
30	S	95.2	Very high	93.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	94.3	177.8	-78.9	0	0	0	0	111.8	E467 E468 M469 S470 R514 R517	S30-E467 VanDerWaalsContact CB-OE1 3.24Å; S30-E467 WeakPolarHBondContact CB-OE1 3.33Å; S30-E467 PolarHBondContact OG-OE1 2.75Å; S30-E468 PolarHBondContact N-O 3.34Å; S30-M469 WeakPolarHBondContact O-CA 3.39Å; S30-S470 PolarHBondContact O-N 3.05Å; S30-R514 WeakPolarHBondContact OG-CD 3.36Å; S30-R517 PolarHBondContact OG-NH1 3.44Å; S30-R517 VanDerWaalsContact OG-NH1 3.09Å
31	H	94.7	Very high	93.6	Very high	120 Å²	120	55.8 Å²	55.8	56%	0.556	29%	0.291	S	S	*	.			trans	-69.9	160.9	176.1	-54	-71.7	0	0	0	113.3	I29 N33 Y34 T35	I29-H31 VanDerWaalsContact CG2-CE1 3.49Å; I29-H31 WeakPolarHBondContact CG2-CE1 3.49Å; H31-N33 PolarHBondContact O-N 2.93Å; H31-N33 VanDerWaalsContact O-N 3.08Å; H31-Y34 PolarHBondContact O-N 3.29Å; H31-T35 PolarHBondContact O-N 3.29Å
32	G	88.9	Confident	93.8	Very high	25 Å²	25	53.4 Å²	53.4	26%	0.258	28%	0.275	S	S	.	.	H	α-helix	trans	-51	-33.9	-179.9	0	0	0	0	0	115	Y34 T35 K36	G32-Y34 PolarHBondContact O-N 2.93Å; G32-T35 WeakPolarHBondContact CA-OG1 3.44Å; G32-T35 PolarHBondContact O-N 3.18Å; G32-T35 PolarHBondContact O-OG1 3.18Å; G32-K36 WeakPolarHBondContact O-CB 3.41Å; G32-K36 PolarHBondContact O-N 3.47Å
33	N	90.8	Very high	93.8	Very high	148 Å²	148	48.1 Å²	48.1	79%	0.791	26%	0.255	S	S	*	.	H	α-helix	trans	-59.1	-29.5	179	-61.6	10.8	0	0	0	113.1	H31	H31-N33 PolarHBondContact O-N 2.93Å; H31-N33 VanDerWaalsContact O-N 3.08Å
34	Y	92.3	Very high	93.8	Very high	65 Å²	65	48.6 Å²	48.6	26%	0.255	26%	0.257	S	S	.	.	H	α-helix	trans	-92.5	-41.5	176.5	179	-94	0	0	0	111.8	H31 G32 K36 Q37 Y38 R514 R517	H31-Y34 PolarHBondContact O-N 3.29Å; G32-Y34 PolarHBondContact O-N 2.93Å; Y34-K36 VanDerWaalsContact C-N 3.33Å; Y34-K36 PolarHBondContact O-N 2.97Å; Y34-Q37 VanDerWaalsContact O-CD 3.24Å; Y34-Q37 VanDerWaalsContact O-CG 3.24Å; Y34-Q37 WeakPolarHBondContact O-CG 3.4Å; Y34-Q37 PolarHBondContact O-NE2 3.48Å; Y34-Y38 HydrophobicContact CE1-CE1 4.43Å; Y34-R514 HydrophobicContact CE1-CG 3.83Å; Y34-R517 HydrophobicContact CE2-CG 4.28Å
35	T	94.8	Very high	93.3	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-75.8	-18.5	-175	59.6	0	0	0	0	113.7	H31 G32 Q37 Y38 S470 V471	H31-T35 PolarHBondContact O-N 3.29Å; G32-T35 WeakPolarHBondContact CA-OG1 3.44Å; G32-T35 PolarHBondContact O-N 3.18Å; G32-T35 PolarHBondContact O-OG1 3.18Å; T35-Q37 PolarHBondContact O-N 2.99Å; T35-Q37 VanDerWaalsContact O-N 3.14Å; T35-Y38 HydrophobicContact CG2-CD2 4.4Å; T35-Y38 HydrophobicContact CG2-CE2 3.64Å; T35-Y38 WeakPolarHBondContact O-CB 3.21Å; T35-Y38 WeakPolarHBondContact O-CD2 3.06Å; T35-Y38 PolarHBondContact O-N 3.28Å; T35-S470 WeakPolarHBondContact CB-O 3.5Å; T35-S470 WeakPolarHBondContact CG2-O 3.13Å; T35-S470 PolarHBondContact OG1-O 3.38Å; T35-V471 HydrophobicContact CG2-CG1 4.42Å
36	K	93.8	Very high	92.5	Very high	85 Å²	85	48.2 Å²	48.2	37%	0.37	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.6	179.3	72.1	177.5	-156.3	158.8	0	114.4	G32 Y34 Y38 N473 E475	G32-K36 WeakPolarHBondContact O-CB 3.41Å; G32-K36 PolarHBondContact O-N 3.47Å; Y34-K36 VanDerWaalsContact C-N 3.33Å; Y34-K36 PolarHBondContact O-N 2.97Å; K36-Y38 PolarHBondContact O-N 3.39Å; K36-N473 PolarHBondContact O-ND2 3.17Å; K36-E475 WeakPolarHBondContact CD-OE1 3.3Å; K36-E475 IonicContact NZ-OE1 3.75Å; K36-E475 PolarHBondContact NZ-OE1 3.28Å; K36-E475 IonicContact NZ-OE2 2.79Å
37	Q	92.9	Very high	91.1	Very high	105 Å²	105	51.3 Å²	51.3	49%	0.491	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-14.9	175.9	77.9	-162.8	-11.4	0	0	113.7	Y34 T35	Y34-Q37 VanDerWaalsContact O-CD 3.24Å; Y34-Q37 VanDerWaalsContact O-CG 3.24Å; Y34-Q37 WeakPolarHBondContact O-CG 3.4Å; Y34-Q37 PolarHBondContact O-NE2 3.48Å; T35-Q37 PolarHBondContact O-N 2.99Å; T35-Q37 VanDerWaalsContact O-N 3.14Å
38	Y	95.7	Very high	89.6	Confident	9 Å²	9	56.5 Å²	56.5	4%	0.035	31%	0.305	C	S	.	.	S	Bend	trans	-64.4	146.2	-177.7	-63.2	-28.6	0	0	0	112.2	Y34 T35 K36 V40 I508 V510 P511 R514	Y34-Y38 HydrophobicContact CE1-CE1 4.43Å; T35-Y38 HydrophobicContact CG2-CD2 4.4Å; T35-Y38 HydrophobicContact CG2-CE2 3.64Å; T35-Y38 WeakPolarHBondContact O-CB 3.21Å; T35-Y38 WeakPolarHBondContact O-CD2 3.06Å; T35-Y38 PolarHBondContact O-N 3.28Å; K36-Y38 PolarHBondContact O-N 3.39Å; Y38-V40 WeakPolarHBondContact O-CG2 3.44Å; Y38-V40 PolarHBondContact O-N 2.94Å; Y38-I508 HydrophobicContact CD2-CG2 4.43Å; Y38-V510 HydrophobicContact CD2-CB 4.45Å; Y38-V510 HydrophobicContact CD2-CG1 4.33Å; Y38-V510 HydrophobicContact CD2-CG2 4.01Å; Y38-V510 HydrophobicContact CE2-CB 4.41Å; Y38-V510 HydrophobicContact CE2-CG1 3.81Å; Y38-V510 HydrophobicContact CE2-CG2 4.26Å; Y38-P511 HydrophobicContact CD1-CG 4.39Å; Y38-P511 HydrophobicContact CE1-CG 4.04Å; Y38-R514 VanDerWaalsContact OH-CD 3.3Å; Y38-R514 WeakPolarHBondContact OH-CD 3.31Å; Y38-R514 PolarHBondContact OH-NH1 3.22Å; Y38-R514 VanDerWaalsContact OH-NH1 3.13Å
39	P	96.1	Very high	87.7	Confident	30 Å²	30	61.9 Å²	61.9	20%	0.195	33%	0.331	C	S	.	.			trans	-59.2	135.9	176.6	-26.9	36.2	0	0	0	113.1	T86 E87 I89 I508 K509	P39-T86 WeakPolarHBondContact CB-O 3.42Å; P39-E87 WeakPolarHBondContact CA-O 3.4Å; P39-I89 HydrophobicContact CB-CD1 3.93Å; P39-I89 HydrophobicContact CB-CG1 3.62Å; P39-I508 WeakPolarHBondContact O-CA 3.27Å; P39-K509 HydrophobicContact CB-CB 4.23Å; P39-K509 PolarHBondContact O-N 3.18Å
40	V	95.9	Very high	85.9	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.018	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.3	-179.2	-173	0	0	0	0	111.4	Y38 V42 E87 E88 I89 K476 C506 V507 I508	Y38-V40 WeakPolarHBondContact O-CG2 3.44Å; Y38-V40 PolarHBondContact O-N 2.94Å; V40-V42 HydrophobicContact CG1-CG1 4.05Å; V40-E87 PolarHBondContact N-O 3.29Å; V40-E88 WeakPolarHBondContact O-CA 3.45Å; V40-I89 PolarHBondContact O-N 2.88Å; V40-K476 HydrophobicContact CB-CB 4.13Å; V40-K476 HydrophobicContact CB-CD 3.82Å; V40-K476 HydrophobicContact CG1-CB 4.07Å; V40-K476 HydrophobicContact CG2-CB 4.08Å; V40-K476 HydrophobicContact CG2-CD 3.63Å; V40-K476 HydrophobicContact CG2-CG 4.43Å; V40-C506 HydrophobicContact CG1-CB 3.7Å; V40-V507 CarbonylContact C-O 3.56Å; V40-V507 WeakPolarHBondContact CA-O 3.25Å; V40-I508 HydrophobicContact CG1-CG1 4.21Å; V40-I508 HydrophobicContact CG2-CD1 4.46Å; V40-I508 HydrophobicContact CG2-CG1 4.08Å; V40-I508 HydrophobicContact CG2-CG2 4.37Å
41	F	95.4	Very high	84.2	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	127	168.4	179	-91.9	0	0	0	110.6	G43 L56 I70 Y77 V79 I89 C91 C506 V507	F41-G43 VanDerWaalsContact CZ-CA 3.47Å; F41-L56 HydrophobicContact CD1-CD1 4.26Å; F41-L56 HydrophobicContact CE1-CD1 3.94Å; F41-I70 HydrophobicContact CB-CD1 4.48Å; F41-I70 HydrophobicContact CD1-CD1 3.51Å; F41-I70 HydrophobicContact CD2-CD1 3.98Å; F41-I70 HydrophobicContact CE1-CD1 3.55Å; F41-I70 HydrophobicContact CE1-CG2 4.41Å; F41-I70 HydrophobicContact CE2-CD1 4.03Å; F41-I70 HydrophobicContact CG-CD1 3.73Å; F41-I70 HydrophobicContact CZ-CD1 3.81Å; F41-Y77 HydrophobicContact CE1-CG 4.26Å; F41-Y77 AromaticContact CZ-CD1 3.84Å; F41-Y77 HydrophobicContact CZ-CD1 3.84Å; F41-Y77 HydrophobicContact CZ-CD2 4.45Å; F41-Y77 AromaticContact CZ-CG 3.73Å; F41-Y77 HydrophobicContact CZ-CG 3.73Å; F41-V79 HydrophobicContact CD2-CG2 3.52Å; F41-V79 HydrophobicContact CE2-CG2 3.71Å; F41-V79 HydrophobicContact CG-CG2 4.42Å; F41-I89 HydrophobicContact CB-CB 3.85Å; F41-I89 HydrophobicContact CB-CD1 4.41Å; F41-I89 HydrophobicContact CB-CG2 4.11Å; F41-I89 HydrophobicContact CD2-CB 4.41Å; F41-I89 HydrophobicContact CD2-CG2 4.09Å; F41-I89 VanDerWaalsContact CD2-O 3.26Å; F41-I89 WeakPolarHBondContact CD2-O 3.33Å; F41-C91 HydrophobicContact CE2-CB 3.99Å; F41-C91 HydrophobicContact CZ-CB 4.4Å; F41-C506 VanDerWaalsContact O-CA 3.25Å; F41-C506 WeakPolarHBondContact O-CA 3.08Å; F41-C506 WeakPolarHBondContact O-CB 3.48Å; F41-V507 HydrophobicContact CB-CB 4.09Å; F41-V507 HydrophobicContact CD1-CG2 4.37Å; F41-V507 PolarHBondContact N-O 2.04Å; F41-V507 PolarHBondContact O-N 2.95Å; F41-V507 VanDerWaalsContact O-N 3.12Å
42	V	93.3	Very high	82.8	Confident	7 Å²	7	69.9 Å²	69.9	4%	0.042	38%	0.382	C	S	.	.			trans	-128.7	17.7	173.2	-60.2	0	0	0	0	113.4	V40 H44 E88 K476 Y479 C506	V40-V42 HydrophobicContact CG1-CG1 4.05Å; V42-H44 WeakPolarHBondContact CG2-ND1 3.15Å; V42-E88 VanDerWaalsContact CG2-OE1 3.28Å; V42-E88 WeakPolarHBondContact CG2-OE1 3.23Å; V42-K476 WeakPolarHBondContact CG1-O 3.15Å; V42-Y479 HydrophobicContact CG1-CE1 4.24Å; V42-C506 HydrophobicContact CG1-CB 4.29Å
43	G	90.3	Very high	82	Confident	17 Å²	17	72.9 Å²	72.9	18%	0.175	39%	0.385	C	S	.	.	S	Bend	trans	89.3	-2.1	172.8	0	0	0	0	0	116.6	F41	F41-G43 VanDerWaalsContact CZ-CA 3.47Å
44	H	88.1	Confident	81.4	Confident	22 Å²	22	71.3 Å²	71.3	10%	0.102	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-68.5	156.6	176.6	-61.5	146.8	0	0	0	113.1	V42 E88 Y90 C91	V42-H44 WeakPolarHBondContact CG2-ND1 3.15Å; H44-E88 IonicContact CE1-OE1 3.87Å; H44-E88 IonicContact CG-OE1 2.61Å; H44-E88 IonicContact ND1-OE1 3.07Å; H44-E88 PolarHBondContact ND1-OE1 2.76Å; H44-Y90 HydrophobicContact CB-CD1 4.37Å; H44-Y90 HydrophobicContact CB-CE1 4.42Å; H44-C91 WeakPolarHBondContact O-CB 3Å; H44-C91 PolarHBondContact O-N 3.03Å
45	K	81.9	Confident	81.1	Confident	99 Å²	99	71.7 Å²	71.7	43%	0.43	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-101	155.3	164.6	-78.8	-154.9	157.7	-134.3	0	109.9	R48 C91 S92	K45-R48 PolarHBondContact O-N 3.29Å; K45-C91 HydrophobicContact CG-CB 4.16Å; K45-S92 WeakPolarHBondContact CE-O 3.03Å; K45-S92 PolarHBondContact NZ-O 2.66Å
46	P	78.5	Confident	81	Confident	87 Å²	87	72 Å²	72	57%	0.565	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	143.5	176.2	-22.7	34.1	0	0	0	111.4	R48 Y90	P46-R48 VanDerWaalsContact C-N 3.29Å; P46-R48 PolarHBondContact O-N 2.03Å; P46-Y90 HydrophobicContact CB-CG 4.49Å; P46-Y90 HydrophobicContact CG-CD1 4.44Å; P46-Y90 HydrophobicContact CG-CD2 4.34Å; P46-Y90 HydrophobicContact CG-CG 3.92Å
47	G	67.8	Low	81.2	Confident	82 Å²	82	69 Å²	69	85%	0.845	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	7.1	177.8	0	0	0	0	0	116.1
48	R	64.5	Low	81.4	Confident	179 Å²	179	64 Å²	64	68%	0.675	34%	0.34	S	S	*	.			trans	-118.3	88.6	173.3	-75.3	-166.9	176.2	-160	-1.2	112.5	K45 P46 T50	K45-R48 PolarHBondContact O-N 3.29Å; P46-R48 VanDerWaalsContact C-N 3.29Å; P46-R48 PolarHBondContact O-N 2.03Å; R48-T50 PolarHBondContact O-N 2.87Å
49	N	55.3	Low	81.5	Confident	146 Å²	146	64.8 Å²	64.8	78%	0.781	34%	0.344	S	S	*	.			trans	-75.2	61.6	167.3	-72	0.7	0	0	0	111.3	T51	N49-T51 PolarHBondContact O-N 3.14Å
50	T	57.5	Low	81.6	Confident	68 Å²	68	66.2 Å²	66.2	42%	0.417	35%	0.349	S	S	.	.			trans	-73.6	107.3	171.6	43.9	0	0	0	0	109.7	R48 Q52	R48-T50 PolarHBondContact O-N 2.87Å; T50-Q52 PolarHBondContact O-N 3.42Å
51	T	60.4	Low	81.7	Confident	143 Å²	143	66.4 Å²	66.4	88%	0.877	35%	0.35	S	S	*	.	S	Bend	trans	-63	-29.1	178.8	49.7	0	0	0	0	113	N49 R53	N49-T51 PolarHBondContact O-N 3.14Å; T51-R53 PolarHBondContact O-N 3.44Å; T51-R53 VanDerWaalsContact O-N 3.12Å
52	Q	64.9	Low	81.8	Confident	145 Å²	145	68 Å²	68	68%	0.678	36%	0.358	S	S	*	.			trans	-79.4	90.8	177.3	-168.6	169.9	34.4	0	0	111.4	T50	T50-Q52 PolarHBondContact O-N 3.42Å
53	R	72.8	Confident	81.9	Confident	88 Å²	88	69.9 Å²	69.9	33%	0.332	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-85.6	117.9	173.4	-56.7	-176.7	-171.5	158.3	4	110.6	T51 K476 Y479	T51-R53 PolarHBondContact O-N 3.44Å; T51-R53 VanDerWaalsContact O-N 3.12Å; R53-K476 PolarHBondContact NH1-O 3.14Å; R53-Y479 HydrophobicContact CB-CD2 3.44Å; R53-Y479 VanDerWaalsContact CB-CD2 3.44Å; R53-Y479 HydrophobicContact CB-CE2 3.48Å; R53-Y479 VanDerWaalsContact CB-CE2 3.48Å; R53-Y479 HydrophobicContact CB-CG 4.1Å
54	H	78.2	Confident	82.1	Confident	116 Å²	116	69.7 Å²	69.7	54%	0.537	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-90.3	146.3	168.3	-66.8	-57.8	0	0	0	111.3	L56 D480	H54-L56 PolarHBondContact O-N 2.82Å; H54-D480 WeakPolarHBondContact CA-OD2 3.45Å
55	R	85.7	Confident	82	Confident	72 Å²	72	73.9 Å²	73.9	27%	0.272	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-53.6	129.7	175.7	-168.5	-178.1	-169.9	-158.8	5.3	111.7	D57 R73 D480 S504 T505	R55-D57 WeakPolarHBondContact CD-OD1 3.44Å; R55-D57 IonicContact CZ-OD1 3.72Å; R55-D57 IonicContact NE-OD1 3.74Å; R55-D57 PolarHBondContact NE-OD1 3.11Å; R55-D57 VanDerWaalsContact NE-OD1 3.07Å; R55-D57 IonicContact NH1-OD1 2.74Å; R55-D57 PolarHBondContact NH1-OD1 2.78Å; R55-D57 IonicContact NH2-OD1 2.86Å; R55-R73 PolarHBondContact O-NH2 3.1Å; R55-D480 HydrophobicContact CB-CB 4.28Å; R55-D480 PolarHBondContact N-OD2 2.9Å; R55-S504 PolarHBondContact NH2-OG 2.79Å; R55-T505 HydrophobicContact CG-CG2 4.22Å
56	L	93.1	Very high	82.3	Confident	10 Å²	10	70.6 Å²	70.6	5%	0.052	38%	0.379	C	S	.	.			trans	-78.4	-33	179.5	-60.2	-175.1	0	0	0	113.4	F41 H54 I58 R73 Y77 T505	F41-L56 HydrophobicContact CD1-CD1 4.26Å; F41-L56 HydrophobicContact CE1-CD1 3.94Å; H54-L56 PolarHBondContact O-N 2.82Å; L56-I58 HydrophobicContact CB-CD1 4.41Å; L56-I58 HydrophobicContact CB-CG1 3.91Å; L56-I58 HydrophobicContact CD1-CD1 3.98Å; L56-I58 HydrophobicContact CD1-CG1 4.27Å; L56-R73 PolarHBondContact O-N 3.46Å; L56-Y77 HydrophobicContact CD2-CE2 4.48Å; L56-T505 WeakPolarHBondContact CD1-O 3.41Å
57	D	96.1	Very high	83.1	Confident	20 Å²	20	68.1 Å²	68.1	11%	0.107	36%	0.362	C	S	.	.			trans	53.3	51.5	-172.6	-60	-74.5	0	0	0	112.4	R55 Q59 R73 F120 S504	R55-D57 WeakPolarHBondContact CD-OD1 3.44Å; R55-D57 IonicContact CZ-OD1 3.72Å; R55-D57 IonicContact NE-OD1 3.74Å; R55-D57 PolarHBondContact NE-OD1 3.11Å; R55-D57 VanDerWaalsContact NE-OD1 3.07Å; R55-D57 IonicContact NH1-OD1 2.74Å; R55-D57 PolarHBondContact NH1-OD1 2.78Å; R55-D57 IonicContact NH2-OD1 2.86Å; D57-Q59 PolarHBondContact O-N 2.77Å; D57-Q59 PolarHBondContact O-NE2 2.95Å; D57-R73 HydrophobicContact CB-CB 3.72Å; D57-R73 PolarHBondContact O-N 3.22Å; D57-R73 IonicContact OD2-CZ 3.42Å; D57-R73 IonicContact OD2-NE 3.11Å; D57-R73 PolarHBondContact OD2-NE 3.45Å; D57-R73 IonicContact OD2-NH2 3.76Å; D57-F120 HydrophobicContact CB-CD1 4.21Å; D57-F120 HydrophobicContact CB-CE1 3.72Å; D57-S504 WeakPolarHBondContact CA-O 3.49Å; D57-S504 PolarHBondContact N-O 2.78Å
58	I	98.1	Very high	84.5	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.322	C	S	.	.			trans	-56.9	133.3	176.9	-61.6	168.8	0	0	0	109.5	L56 I61 I70 A72 M488 A502 F503 S504 V507	L56-I58 HydrophobicContact CB-CD1 4.41Å; L56-I58 HydrophobicContact CB-CG1 3.91Å; L56-I58 HydrophobicContact CD1-CD1 3.98Å; L56-I58 HydrophobicContact CD1-CG1 4.27Å; I58-I61 HydrophobicContact CG2-CG2 4.37Å; I58-I70 HydrophobicContact CD1-CG2 3.89Å; I58-I70 HydrophobicContact CG1-CG2 3.86Å; I58-I70 HydrophobicContact CG2-CG2 3.91Å; I58-A72 HydrophobicContact CG1-CB 4.42Å; I58-M488 WeakPolarHBondContact O-CE 2.82Å; I58-A502 HydrophobicContact CG2-CB 4.29Å; I58-F503 WeakPolarHBondContact CB-O 3.47Å; I58-S504 PolarHBondContact N-O 2.99Å; I58-V507 HydrophobicContact CD1-CG2 3.74Å
59	Q	98	Very high	86.1	Confident	27 Å²	27	56.1 Å²	56.1	13%	0.126	29%	0.292	C	S	.	.			trans	-104.1	-44	-178.6	-61.2	-57.2	-59.7	0	0	111.9	D57 A71 F120 I121 K122 A169	D57-Q59 PolarHBondContact O-N 2.77Å; D57-Q59 PolarHBondContact O-NE2 2.95Å; Q59-A71 PolarHBondContact N-O 2.9Å; Q59-F120 HydrophobicContact CG-CB 4.23Å; Q59-I121 WeakPolarHBondContact CB-O 3.31Å; Q59-I121 WeakPolarHBondContact CG-O 3.47Å; Q59-K122 HydrophobicContact CB-CD 4.2Å; Q59-K122 HydrophobicContact CG-CD 4.04Å; Q59-A169 PolarHBondContact OE1-O 2.87Å
60	M	97.7	Very high	88.2	Confident	60 Å²	60	49.1 Å²	49.1	30%	0.296	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	158.8	-179.7	60.9	-170.4	-65.4	0	0	111.4	M62 A71	M60-M62 HydrophobicContact CE-SD 4.49Å; M60-A71 HydrophobicContact CG-CB 3.8Å; M60-A71 PolarHBondContact N-O 2.91Å; M60-A71 PolarHBondContact O-N 3.23Å
61	I	98.3	Very high	90.1	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.031	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.3	172.8	54.1	159.8	0	0	0	110.5	I58 L68 Y69 I70 Q491 Y500 A502 V507	I58-I61 HydrophobicContact CG2-CG2 4.37Å; I61-L68 HydrophobicContact CB-CD1 4.24Å; I61-Y69 WeakPolarHBondContact CA-O 3.35Å; I61-I70 HydrophobicContact CG2-CB 4.27Å; I61-I70 HydrophobicContact CG2-CG1 4Å; I61-I70 HydrophobicContact CG2-CG2 4.06Å; I61-Q491 HydrophobicContact CB-CG 4.43Å; I61-Q491 HydrophobicContact CD1-CB 4.15Å; I61-Q491 HydrophobicContact CD1-CG 3.89Å; I61-Q491 HydrophobicContact CG1-CG 3.91Å; I61-Q491 WeakPolarHBondContact O-CG 3.41Å; I61-Q491 PolarHBondContact O-NE2 2.91Å; I61-Y500 WeakPolarHBondContact CD1-O 3.45Å; I61-A502 HydrophobicContact CB-CB 4.37Å; I61-A502 HydrophobicContact CD1-CB 3.79Å; I61-A502 HydrophobicContact CG1-CB 3.76Å; I61-A502 HydrophobicContact CG2-CB 3.7Å; I61-V507 HydrophobicContact CD1-CG1 4.29Å; I61-V507 HydrophobicContact CG2-CG2 3.99Å
62	M	96.9	Very high	91.9	Very high	34 Å²	34	39.1 Å²	39.1	17%	0.167	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	153.9	176.1	66.9	-163.4	-52.6	0	0	111.9	M60 M64 Y69 L124	M60-M62 HydrophobicContact CE-SD 4.49Å; M62-M64 HydrophobicContact CE-CE 3.46Å; M62-M64 VanDerWaalsContact CE-CE 3.46Å; M62-M64 HydrophobicContact CG-CE 4.13Å; M62-M64 HydrophobicContact SD-CE 3.61Å; M62-Y69 PolarHBondContact N-O 2.78Å; M62-Y69 PolarHBondContact O-N 3.1Å; M62-L124 WeakPolarHBondContact CE-O 3.41Å; M62-L124 HydrophobicContact CG-CD2 4.19Å; M62-L124 HydrophobicContact SD-CB 3.83Å; M62-L124 HydrophobicContact SD-CD2 3.75Å; M62-L124 HydrophobicContact SD-CG 3.55Å; M62-L124 VanDerWaalsContact SD-CG 3.55Å
63	I	96.1	Very high	93.5	Very high	46 Å²	46	34.4 Å²	34.4	24%	0.236	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.7	179.5	-61	175.6	0	0	0	109	T67 L68 I81 Q491 D493 Y500	I63-T67 WeakPolarHBondContact CA-O 3.42Å; I63-L68 HydrophobicContact CD1-CD1 4.43Å; I63-L68 HydrophobicContact CG1-CB 4.41Å; I63-L68 HydrophobicContact CG1-CD1 3.75Å; I63-I81 HydrophobicContact CB-CD1 4.48Å; I63-I81 HydrophobicContact CD1-CD1 3.83Å; I63-I81 HydrophobicContact CG1-CD1 4.02Å; I63-I81 HydrophobicContact CG2-CD1 3.66Å; I63-Q491 HydrophobicContact CD1-CB 3.83Å; I63-Q491 HydrophobicContact CG1-CB 4.04Å; I63-Q491 HydrophobicContact CG1-CG 4.42Å; I63-D493 HydrophobicContact CD1-CB 3.92Å; I63-Y500 HydrophobicContact CD1-CD2 4.18Å
64	M	93.4	Very high	94.7	Very high	14 Å²	14	30.4 Å²	30.4	7%	0.069	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	132.9	171.1	-50.2	177.9	-172.5	0	0	108.7	M62 G66 T67 Y69 L124 K126 L132 M149	M62-M64 HydrophobicContact CE-CE 3.46Å; M62-M64 VanDerWaalsContact CE-CE 3.46Å; M62-M64 HydrophobicContact CG-CE 4.13Å; M62-M64 HydrophobicContact SD-CE 3.61Å; M64-G66 PolarHBondContact O-N 2.9Å; M64-T67 PolarHBondContact N-O 3.31Å; M64-T67 WeakPolarHBondContact O-CA 3.14Å; M64-T67 WeakPolarHBondContact O-CB 3.18Å; M64-T67 PolarHBondContact O-N 3.24Å; M64-Y69 HydrophobicContact CB-CD2 4.33Å; M64-Y69 HydrophobicContact CB-CE2 3.93Å; M64-Y69 HydrophobicContact CG-CD2 4.24Å; M64-Y69 HydrophobicContact CG-CE2 4.22Å; M64-Y69 HydrophobicContact SD-CD2 4.45Å; M64-Y69 HydrophobicContact SD-CE2 4.24Å; M64-L124 HydrophobicContact CE-CG 4.26Å; M64-K126 HydrophobicContact CE-CB 4.16Å; M64-K126 HydrophobicContact SD-CB 3.84Å; M64-K126 HydrophobicContact SD-CG 4.44Å; M64-L132 HydrophobicContact CE-CD2 3.99Å; M64-L132 HydrophobicContact SD-CD2 3.54Å; M64-L132 VanDerWaalsContact SD-CD2 3.54Å; M64-M149 HydrophobicContact CB-CE 3.62Å; M64-M149 HydrophobicContact SD-CE 4.06Å
65	N	87.4	Confident	95.6	Very high	110 Å²	110	26 Å²	26	59%	0.588	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.5	50.9	173.6	-58.8	16.2	0	0	0	113.8	T67 K126 M149	N65-T67 PolarHBondContact O-N 3.21Å; N65-T67 VanDerWaalsContact O-N 3.12Å; N65-K126 PolarHBondContact OD1-NZ 2.84Å; N65-M149 HydrophobicContact CB-CE 4.18Å
66	G	88.1	Confident	96.2	Very high	30 Å²	30	22.6 Å²	22.6	31%	0.309	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	-0.2	-178.6	0	0	0	0	0	115.8	M64 I81	M64-G66 PolarHBondContact O-N 2.9Å; G66-I81 VanDerWaalsContact O-CB 3.24Å; G66-I81 WeakPolarHBondContact O-CB 3.28Å; G66-I81 VanDerWaalsContact O-CG1 3.3Å; G66-I81 WeakPolarHBondContact O-CG1 3.34Å; G66-I81 PolarHBondContact O-N 3.22Å
67	T	94.9	Very high	96.4	Very high	35 Å²	35	23 Å²	23	22%	0.215	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.3	178.9	-60.4	0	0	0	0	110.8	I63 M64 N65 Y69 T78	I63-T67 WeakPolarHBondContact CA-O 3.42Å; M64-T67 PolarHBondContact N-O 3.31Å; M64-T67 WeakPolarHBondContact O-CA 3.14Å; M64-T67 WeakPolarHBondContact O-CB 3.18Å; M64-T67 PolarHBondContact O-N 3.24Å; N65-T67 PolarHBondContact O-N 3.21Å; N65-T67 VanDerWaalsContact O-N 3.12Å; T67-Y69 HydrophobicContact CG2-CD2 3.95Å; T67-Y69 HydrophobicContact CG2-CE2 3.53Å; T67-Y69 WeakPolarHBondContact O-CD2 3.48Å; T67-T78 HydrophobicContact CG2-CG2 3.95Å
68	L	97.6	Very high	96.4	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	118.2	168.8	173.6	71.9	0	0	0	109.4	I61 I63 I70 T78 V79 I81 Y500 V507	I61-L68 HydrophobicContact CB-CD1 4.24Å; I63-L68 HydrophobicContact CD1-CD1 4.43Å; I63-L68 HydrophobicContact CG1-CB 4.41Å; I63-L68 HydrophobicContact CG1-CD1 3.75Å; L68-I70 HydrophobicContact CD2-CD1 4.31Å; L68-I70 HydrophobicContact CD2-CG1 4.36Å; L68-I70 HydrophobicContact CG-CG1 4.19Å; L68-T78 WeakPolarHBondContact O-CA 3.24Å; L68-V79 HydrophobicContact CB-CB 4.22Å; L68-V79 HydrophobicContact CD2-CB 4.33Å; L68-V79 PolarHBondContact N-O 3.46Å; L68-V79 PolarHBondContact O-N 2.95Å; L68-I81 HydrophobicContact CB-CD1 4.16Å; L68-I81 HydrophobicContact CB-CG1 4.01Å; L68-Y500 HydrophobicContact CD1-CG 4.49Å; L68-Y500 HydrophobicContact CD2-CD1 3.49Å; L68-Y500 VanDerWaalsContact CD2-CD1 3.49Å; L68-Y500 HydrophobicContact CD2-CE1 3.81Å; L68-Y500 HydrophobicContact CD2-CG 3.96Å; L68-V507 HydrophobicContact CD2-CG1 4.45Å
69	Y	98.1	Very high	96.3	Very high	7 Å²	7	22.3 Å²	22.3	3%	0.027	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133.6	173.8	-67.9	-101.2	0	0	0	110.5	I61 M62 M64 T67 I76 T78 L124 L132 M149 L152	I61-Y69 WeakPolarHBondContact CA-O 3.35Å; M62-Y69 PolarHBondContact N-O 2.78Å; M62-Y69 PolarHBondContact O-N 3.1Å; M64-Y69 HydrophobicContact CB-CD2 4.33Å; M64-Y69 HydrophobicContact CB-CE2 3.93Å; M64-Y69 HydrophobicContact CG-CD2 4.24Å; M64-Y69 HydrophobicContact CG-CE2 4.22Å; M64-Y69 HydrophobicContact SD-CD2 4.45Å; M64-Y69 HydrophobicContact SD-CE2 4.24Å; T67-Y69 HydrophobicContact CG2-CD2 3.95Å; T67-Y69 HydrophobicContact CG2-CE2 3.53Å; T67-Y69 WeakPolarHBondContact O-CD2 3.48Å; Y69-I76 HydrophobicContact CD1-CG2 4.08Å; Y69-T78 HydrophobicContact CD1-CG2 3.58Å; Y69-T78 HydrophobicContact CE1-CG2 3.54Å; Y69-T78 HydrophobicContact CG-CG2 4.25Å; Y69-L124 HydrophobicContact CD1-CD2 4.18Å; Y69-L124 HydrophobicContact CG-CD2 4.15Å; Y69-L132 HydrophobicContact CD1-CD1 4.35Å; Y69-L132 HydrophobicContact CE1-CD1 3.62Å; Y69-M149 HydrophobicContact CE2-CE 4.19Å; Y69-M149 WeakPolarHBondContact OH-CE 3.2Å; Y69-M149 WeakPolarHBondContact OH-CG 3.33Å; Y69-L152 HydrophobicContact CE1-CD2 4.14Å
70	I	98.5	Very high	96.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	99.9	-177.9	-52.7	171.4	0	0	0	107.9	F41 I58 I61 L68 I76 Y77 V79 V507	F41-I70 HydrophobicContact CB-CD1 4.48Å; F41-I70 HydrophobicContact CD1-CD1 3.51Å; F41-I70 HydrophobicContact CD2-CD1 3.98Å; F41-I70 HydrophobicContact CE1-CD1 3.55Å; F41-I70 HydrophobicContact CE1-CG2 4.41Å; F41-I70 HydrophobicContact CE2-CD1 4.03Å; F41-I70 HydrophobicContact CG-CD1 3.73Å; F41-I70 HydrophobicContact CZ-CD1 3.81Å; I58-I70 HydrophobicContact CD1-CG2 3.89Å; I58-I70 HydrophobicContact CG1-CG2 3.86Å; I58-I70 HydrophobicContact CG2-CG2 3.91Å; I61-I70 HydrophobicContact CG2-CB 4.27Å; I61-I70 HydrophobicContact CG2-CG1 4Å; I61-I70 HydrophobicContact CG2-CG2 4.06Å; L68-I70 HydrophobicContact CD2-CD1 4.31Å; L68-I70 HydrophobicContact CD2-CG1 4.36Å; L68-I70 HydrophobicContact CG-CG1 4.19Å; I70-I76 WeakPolarHBondContact O-CA 3.45Å; I70-Y77 PolarHBondContact N-O 3.14Å; I70-Y77 PolarHBondContact O-N 2.93Å; I70-V79 HydrophobicContact CD1-CG2 4.02Å; I70-V507 HydrophobicContact CD1-CB 4.41Å; I70-V507 HydrophobicContact CD1-CG2 3.83Å; I70-V507 HydrophobicContact CG1-CG2 4.22Å; I70-V507 HydrophobicContact CG2-CG2 4.06Å
71	A	98.5	Very high	95.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129.4	179.8	0	0	0	0	0	110.3	Q59 M60 I76 I121	Q59-A71 PolarHBondContact N-O 2.9Å; M60-A71 HydrophobicContact CG-CB 3.8Å; M60-A71 PolarHBondContact N-O 2.91Å; M60-A71 PolarHBondContact O-N 3.23Å; A71-I76 HydrophobicContact CB-CG1 4.35Å; A71-I121 HydrophobicContact CB-CB 4.1Å; A71-I121 HydrophobicContact CB-CG2 3.85Å
72	A	98.2	Very high	95.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.			trans	-145.8	-165.6	-165.8	0	0	0	0	0	111.8	I58 H75 Y77 I121	I58-A72 HydrophobicContact CG1-CB 4.42Å; A72-H75 PolarHBondContact N-O 2.9Å; A72-Y77 HydrophobicContact CB-CD2 4.28Å; A72-Y77 HydrophobicContact CB-CE2 3.91Å; A72-I121 PolarHBondContact O-N 2.87Å
73	R	97.9	Very high	94.6	Very high	46 Å²	46	28.3 Å²	28.3	17%	0.174	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-76.6	129.7	170.5	-177.8	-174.8	51.7	63.4	3.1	110.9	R55 L56 D57 H75 H118 F120	R55-R73 PolarHBondContact O-NH2 3.1Å; L56-R73 PolarHBondContact O-N 3.46Å; D57-R73 HydrophobicContact CB-CB 3.72Å; D57-R73 PolarHBondContact O-N 3.22Å; D57-R73 IonicContact OD2-CZ 3.42Å; D57-R73 IonicContact OD2-NE 3.11Å; D57-R73 PolarHBondContact OD2-NE 3.45Å; D57-R73 IonicContact OD2-NH2 3.76Å; R73-H75 PolarHBondContact O-CD2 3.45Å; R73-H75 PolarHBondContact O-N 3.48Å; R73-H118 HydrophobicContact CG-CB 3.7Å; R73-F120 HydrophobicContact CB-CD1 3.68Å; R73-F120 HydrophobicContact CB-CE1 3.68Å; R73-F120 HydrophobicContact CB-CG 4.48Å; R73-F120 HydrophobicContact CB-CZ 4.46Å; R73-F120 HydrophobicContact CG-CD1 3.98Å; R73-F120 HydrophobicContact CG-CE1 3.72Å; R73-F120 HydrophobicContact CG-CG 4.5Å; R73-F120 HydrophobicContact CG-CZ 4.01Å
74	D	97.9	Very high	93.9	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.027	15%	0.149	C	C	.	.	S	Bend	trans	58.7	2.7	179.4	-55.7	-49.1	0	0	0	115.7	W97 K98 H118 N119	D74-W97 CarbonylContact O-C 3.6Å; D74-W97 PolarHBondContact O-N 3.31Å; D74-K98 HydrophobicContact CB-CG 3.7Å; D74-H118 IonicContact OD1-ND1 3.29Å; D74-H118 IonicContact OD2-CE1 2.72Å; D74-H118 IonicContact OD2-CG 3.85Å; D74-H118 IonicContact OD2-ND1 2.93Å; D74-H118 PolarHBondContact OD2-ND1 2.87Å; D74-N119 WeakPolarHBondContact CA-O 3.29Å; D74-N119 PolarHBondContact N-O 3.25Å; D74-N119 PolarHBondContact OD1-N 3.4Å
75	H	97.9	Very high	93.2	Very high	22 Å²	22	33.5 Å²	33.5	10%	0.102	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	152.3	-165.7	-70.3	-59	0	0	0	113.9	A72 R73 Y77 K94 L95 T96	A72-H75 PolarHBondContact N-O 2.9Å; R73-H75 PolarHBondContact O-CD2 3.45Å; R73-H75 PolarHBondContact O-N 3.48Å; H75-Y77 HydrophobicContact CB-CD2 4.12Å; H75-Y77 HydrophobicContact CB-CE2 3.52Å; H75-Y77 PolarHBondContact CD2-OH 3.3Å; H75-K94 PolarHBondContact CE1-NZ 3.31Å; H75-L95 WeakPolarHBondContact CA-O 3.37Å; H75-L95 PolarHBondContact ND1-O 3.47Å; H75-T96 VanDerWaalsContact CE1-CG2 3.47Å; H75-T96 WeakPolarHBondContact CE1-CG2 3.3Å; H75-T96 PolarHBondContact CE1-OG1 3.31Å; H75-T96 PolarHBondContact ND1-OG1 2.89Å
76	I	98.3	Very high	93.1	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.5	151.4	-59	161.4	0	0	0	106.9	Y69 I70 A71 L95 I121 L124 V134	Y69-I76 HydrophobicContact CD1-CG2 4.08Å; I70-I76 WeakPolarHBondContact O-CA 3.45Å; A71-I76 HydrophobicContact CB-CG1 4.35Å; I76-L95 HydrophobicContact CB-CB 4.03Å; I76-L95 HydrophobicContact CD1-CD1 3.98Å; I76-L95 HydrophobicContact CD1-CD2 4.31Å; I76-L95 HydrophobicContact CG1-CD2 4.41Å; I76-L95 PolarHBondContact N-O 3.34Å; I76-L95 PolarHBondContact O-N 2.8Å; I76-I121 HydrophobicContact CD1-CG2 4.09Å; I76-I121 HydrophobicContact CG1-CB 4.46Å; I76-I121 HydrophobicContact CG1-CG1 4.18Å; I76-I121 HydrophobicContact CG1-CG2 4.05Å; I76-L124 HydrophobicContact CD1-CD1 3.94Å; I76-L124 HydrophobicContact CD1-CD2 4.22Å; I76-L124 HydrophobicContact CG2-CD2 4.17Å; I76-V134 HydrophobicContact CD1-CG1 3.68Å; I76-V134 HydrophobicContact CD1-CG2 3.99Å
77	Y	97.1	Very high	92.8	Very high	19 Å²	19	36.8 Å²	36.8	8%	0.075	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	149.3	173	-52.3	-103.9	0	0	0	109.1	F41 L56 I70 A72 H75 C91 K94	F41-Y77 HydrophobicContact CE1-CG 4.26Å; F41-Y77 AromaticContact CZ-CD1 3.84Å; F41-Y77 HydrophobicContact CZ-CD1 3.84Å; F41-Y77 HydrophobicContact CZ-CD2 4.45Å; F41-Y77 AromaticContact CZ-CG 3.73Å; F41-Y77 HydrophobicContact CZ-CG 3.73Å; L56-Y77 HydrophobicContact CD2-CE2 4.48Å; I70-Y77 PolarHBondContact N-O 3.14Å; I70-Y77 PolarHBondContact O-N 2.93Å; A72-Y77 HydrophobicContact CB-CD2 4.28Å; A72-Y77 HydrophobicContact CB-CE2 3.91Å; H75-Y77 HydrophobicContact CB-CD2 4.12Å; H75-Y77 HydrophobicContact CB-CE2 3.52Å; H75-Y77 PolarHBondContact CD2-OH 3.3Å; Y77-C91 HydrophobicContact CD1-CB 4.44Å; Y77-K94 HydrophobicContact CD1-CD 3.88Å; Y77-K94 HydrophobicContact CD1-CG 3.88Å; Y77-K94 HydrophobicContact CE1-CD 3.61Å; Y77-K94 HydrophobicContact CE1-CG 4.09Å; Y77-K94 HydrophobicContact CG-CG 4.45Å
78	T	96.6	Very high	92.4	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.025	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.4	168.2	69.5	0	0	0	0	112	T67 L68 Y69 S92 K93 L152	T67-T78 HydrophobicContact CG2-CG2 3.95Å; L68-T78 WeakPolarHBondContact O-CA 3.24Å; Y69-T78 HydrophobicContact CD1-CG2 3.58Å; Y69-T78 HydrophobicContact CE1-CG2 3.54Å; Y69-T78 HydrophobicContact CG-CG2 4.25Å; T78-S92 PolarHBondContact O-N 3.16Å; T78-K93 PolarHBondContact N-O 3.28Å; T78-K93 WeakPolarHBondContact OG1-CB 3.34Å; T78-K93 PolarHBondContact OG1-N 3.42Å; T78-K93 PolarHBondContact OG1-O 2.96Å; T78-L152 HydrophobicContact CG2-CD1 3.83Å
79	V	95.8	Very high	92.2	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.3	169.1	172.6	0	0	0	0	106.6	F41 L68 I70 I89	F41-V79 HydrophobicContact CD2-CG2 3.52Å; F41-V79 HydrophobicContact CE2-CG2 3.71Å; F41-V79 HydrophobicContact CG-CG2 4.42Å; L68-V79 HydrophobicContact CB-CB 4.22Å; L68-V79 HydrophobicContact CD2-CB 4.33Å; L68-V79 PolarHBondContact N-O 3.46Å; L68-V79 PolarHBondContact O-N 2.95Å; I70-V79 HydrophobicContact CD1-CG2 4.02Å; V79-I89 HydrophobicContact CB-CG2 4.15Å; V79-I89 HydrophobicContact CG1-CG2 3.38Å; V79-I89 HydrophobicContact CG2-CG2 3.62Å
80	D	92.3	Very high	91.8	Very high	53 Å²	53	39.9 Å²	39.9	28%	0.283	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	121.6	166.5	174.7	6	0	0	0	107.7	D82 T83 S84	D80-D82 PolarHBondContact OD1-N 2.89Å; D80-T83 WeakPolarHBondContact CB-OG1 3.27Å; D80-T83 VanDerWaalsContact OD2-CG2 3.23Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.38Å; D80-T83 PolarHBondContact OD2-OG1 3.47Å; D80-S84 VanDerWaalsContact O-CB 3.27Å; D80-S84 WeakPolarHBondContact O-CB 3.44Å
81	I	92.8	Very high	91.6	Very high	3 Å²	3	40 Å²	40	2%	0.015	20%	0.2	C	C	.	.	S	Bend	trans	-72.3	-39.9	-171.2	-70.6	174	0	0	0	110.8	I63 G66 L68 S84 S496 Y500	I63-I81 HydrophobicContact CB-CD1 4.48Å; I63-I81 HydrophobicContact CD1-CD1 3.83Å; I63-I81 HydrophobicContact CG1-CD1 4.02Å; I63-I81 HydrophobicContact CG2-CD1 3.66Å; G66-I81 VanDerWaalsContact O-CB 3.24Å; G66-I81 WeakPolarHBondContact O-CB 3.28Å; G66-I81 VanDerWaalsContact O-CG1 3.3Å; G66-I81 WeakPolarHBondContact O-CG1 3.34Å; G66-I81 PolarHBondContact O-N 3.22Å; L68-I81 HydrophobicContact CB-CD1 4.16Å; L68-I81 HydrophobicContact CB-CG1 4.01Å; I81-S84 PolarHBondContact O-N 3.43Å; I81-S496 WeakPolarHBondContact CG2-OG 3.49Å; I81-Y500 HydrophobicContact CD1-CE2 4.42Å; I81-Y500 HydrophobicContact CG1-CE2 4.37Å; I81-Y500 HydrophobicContact CG2-CE2 4.43Å
82	D	86.6	Confident	91.3	Very high	100 Å²	100	42.6 Å²	42.6	54%	0.535	22%	0.218	S	C	.	.	S	Bend	trans	-78.5	-29.9	-168.2	-66.5	-31	0	0	0	111.9	D80 H85	D80-D82 PolarHBondContact OD1-N 2.89Å; D82-H85 PolarHBondContact O-CE1 2.91Å; D82-H85 PolarHBondContact O-NE2 2.78Å
83	T	83	Confident	91	Very high	97 Å²	97	47.3 Å²	47.3	60%	0.595	24%	0.238	S	C	*	.	S	Bend	trans	-91.1	-4.1	175.7	60.3	0	0	0	0	114.2	D80 H85	D80-T83 WeakPolarHBondContact CB-OG1 3.27Å; D80-T83 VanDerWaalsContact OD2-CG2 3.23Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.38Å; D80-T83 PolarHBondContact OD2-OG1 3.47Å; T83-H85 PolarHBondContact O-N 3.02Å; T83-H85 VanDerWaalsContact O-N 3.13Å
84	S	81.4	Confident	90.8	Very high	10 Å²	10	49.7 Å²	49.7	7%	0.07	25%	0.25	C	S	.	.			trans	-85.4	83.7	-175.9	175.2	0	0	0	0	113	D80 I81 K509	D80-S84 VanDerWaalsContact O-CB 3.27Å; D80-S84 WeakPolarHBondContact O-CB 3.44Å; I81-S84 PolarHBondContact O-N 3.43Å; S84-K509 PolarHBondContact O-NZ 2.91Å
85	H	79.3	Confident	90.8	Very high	159 Å²	159	49.7 Å²	49.7	74%	0.736	25%	0.25	S	S	*	.			trans	-109.4	-5	179.2	-49	-54.3	0	0	0	115.8	D82 T83	D82-H85 PolarHBondContact O-CE1 2.91Å; D82-H85 PolarHBondContact O-NE2 2.78Å; T83-H85 PolarHBondContact O-N 3.02Å; T83-H85 VanDerWaalsContact O-N 3.13Å
86	T	84.1	Confident	90.7	Very high	70 Å²	70	52.1 Å²	52.1	43%	0.429	27%	0.267	S	S	.	.	S	Bend	trans	-86.7	158.2	-175.2	42.4	0	0	0	0	114	P39 E88	P39-T86 WeakPolarHBondContact CB-O 3.42Å; T86-E88 WeakPolarHBondContact CB-O 3.28Å; T86-E88 PolarHBondContact O-N 3.11Å; T86-E88 PolarHBondContact OG1-O 3.02Å
87	E	82.1	Confident	90.7	Very high	138 Å²	138	52.4 Å²	52.4	65%	0.645	27%	0.268	S	S	*	.	S	Bend	trans	-61.2	-22.4	175.9	-78.9	-156	-173.8	0	0	115.1	P39 V40 K476	P39-E87 WeakPolarHBondContact CA-O 3.4Å; V40-E87 PolarHBondContact N-O 3.29Å; E87-K476 PolarHBondContact O-NZ 3.03Å; E87-K476 IonicContact OE2-NZ 3.51Å
88	E	87.3	Confident	90.8	Very high	37 Å²	37	58 Å²	58	17%	0.173	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.5	168.1	-179.1	171.5	-147.8	0	0	107.7	V40 V42 H44 T86 Y90	V40-E88 WeakPolarHBondContact O-CA 3.45Å; V42-E88 VanDerWaalsContact CG2-OE1 3.28Å; V42-E88 WeakPolarHBondContact CG2-OE1 3.23Å; H44-E88 IonicContact CE1-OE1 3.87Å; H44-E88 IonicContact CG-OE1 2.61Å; H44-E88 IonicContact ND1-OE1 3.07Å; H44-E88 PolarHBondContact ND1-OE1 2.76Å; T86-E88 WeakPolarHBondContact CB-O 3.28Å; T86-E88 PolarHBondContact O-N 3.11Å; T86-E88 PolarHBondContact OG1-O 3.02Å; E88-Y90 HydrophobicContact CB-CE1 4.23Å; E88-Y90 HydrophobicContact CB-CE2 4.29Å; E88-Y90 VanDerWaalsContact CD-CE1 3.46Å; E88-Y90 HydrophobicContact CG-CD1 4.28Å; E88-Y90 HydrophobicContact CG-CE1 3.71Å; E88-Y90 WeakPolarHBondContact OE2-CE1 3.3Å; E88-Y90 PolarHBondContact OE2-OH 3.33Å
89	I	91.9	Very high	90.8	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	117.2	178.2	-56.5	173	0	0	0	107.4	P39 V40 F41 V79 K509	P39-I89 HydrophobicContact CB-CD1 3.93Å; P39-I89 HydrophobicContact CB-CG1 3.62Å; V40-I89 PolarHBondContact O-N 2.88Å; F41-I89 HydrophobicContact CB-CB 3.85Å; F41-I89 HydrophobicContact CB-CD1 4.41Å; F41-I89 HydrophobicContact CB-CG2 4.11Å; F41-I89 HydrophobicContact CD2-CB 4.41Å; F41-I89 HydrophobicContact CD2-CG2 4.09Å; F41-I89 VanDerWaalsContact CD2-O 3.26Å; F41-I89 WeakPolarHBondContact CD2-O 3.33Å; V79-I89 HydrophobicContact CB-CG2 4.15Å; V79-I89 HydrophobicContact CG1-CG2 3.38Å; V79-I89 HydrophobicContact CG2-CG2 3.62Å; I89-K509 HydrophobicContact CD1-CB 3.78Å
90	Y	91.6	Very high	90.9	Very high	70 Å²	70	65.5 Å²	65.5	28%	0.275	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-92.4	148.4	-175.1	-68	-64.4	0	0	0	114	H44 P46 E88 S92	H44-Y90 HydrophobicContact CB-CD1 4.37Å; H44-Y90 HydrophobicContact CB-CE1 4.42Å; P46-Y90 HydrophobicContact CB-CG 4.49Å; P46-Y90 HydrophobicContact CG-CD1 4.44Å; P46-Y90 HydrophobicContact CG-CD2 4.34Å; P46-Y90 HydrophobicContact CG-CG 3.92Å; E88-Y90 HydrophobicContact CB-CE1 4.23Å; E88-Y90 HydrophobicContact CB-CE2 4.29Å; E88-Y90 VanDerWaalsContact CD-CE1 3.46Å; E88-Y90 HydrophobicContact CG-CD1 4.28Å; E88-Y90 HydrophobicContact CG-CE1 3.71Å; E88-Y90 WeakPolarHBondContact OE2-CE1 3.3Å; E88-Y90 PolarHBondContact OE2-OH 3.33Å; Y90-S92 PolarHBondContact O-N 2.92Å
91	C	92.4	Very high	91.2	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.014	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-73.9	117.2	173.5	176.8	0	0	0	0	111.5	F41 H44 K45 Y77 K93	F41-C91 HydrophobicContact CE2-CB 3.99Å; F41-C91 HydrophobicContact CZ-CB 4.4Å; H44-C91 WeakPolarHBondContact O-CB 3Å; H44-C91 PolarHBondContact O-N 3.03Å; K45-C91 HydrophobicContact CG-CB 4.16Å; Y77-C91 HydrophobicContact CD1-CB 4.44Å; C91-K93 PolarHBondContact SG-O 3.27Å; C91-K93 VanDerWaalsContact SG-O 3.34Å
92	S	92.1	Very high	91.5	Very high	55 Å²	55	71.6 Å²	71.6	39%	0.385	36%	0.361	S	S	.	.	S	Bend	trans	-76.6	-72.6	174.6	175.8	0	0	0	0	110.8	K45 T78 Y90	K45-S92 WeakPolarHBondContact CE-O 3.03Å; K45-S92 PolarHBondContact NZ-O 2.66Å; T78-S92 PolarHBondContact O-N 3.16Å; Y90-S92 PolarHBondContact O-N 2.92Å
93	K	92.4	Very high	92	Very high	98 Å²	98	67.9 Å²	67.9	43%	0.426	34%	0.342	S	S	.	.			trans	-112.1	151.7	176.1	-53.1	177.3	-176.1	174.3	0	109.8	T78 C91 D150 L152	T78-K93 PolarHBondContact N-O 3.28Å; T78-K93 WeakPolarHBondContact OG1-CB 3.34Å; T78-K93 PolarHBondContact OG1-N 3.42Å; T78-K93 PolarHBondContact OG1-O 2.96Å; C91-K93 PolarHBondContact SG-O 3.27Å; C91-K93 VanDerWaalsContact SG-O 3.34Å; K93-D150 PolarHBondContact NZ-O 3.04Å; K93-L152 HydrophobicContact CB-CD1 3.61Å; K93-L152 HydrophobicContact CB-CG 4.41Å
94	K	94.4	Very high	92.7	Very high	97 Å²	97	64 Å²	64	42%	0.422	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	108.9	-179.6	-167.9	-173.2	71.1	166.5	0	112	H75 Y77	H75-K94 PolarHBondContact CE1-NZ 3.31Å; Y77-K94 HydrophobicContact CD1-CD 3.88Å; Y77-K94 HydrophobicContact CD1-CG 3.88Å; Y77-K94 HydrophobicContact CE1-CD 3.61Å; Y77-K94 HydrophobicContact CE1-CG 4.09Å; Y77-K94 HydrophobicContact CG-CG 4.45Å
95	L	96.9	Very high	93.5	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.021	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.3	166.9	-172.5	152.6	0	0	0	109.6	H75 I76 W97 Y147 L152	H75-L95 WeakPolarHBondContact CA-O 3.37Å; H75-L95 PolarHBondContact ND1-O 3.47Å; I76-L95 HydrophobicContact CB-CB 4.03Å; I76-L95 HydrophobicContact CD1-CD1 3.98Å; I76-L95 HydrophobicContact CD1-CD2 4.31Å; I76-L95 HydrophobicContact CG1-CD2 4.41Å; I76-L95 PolarHBondContact N-O 3.34Å; I76-L95 PolarHBondContact O-N 2.8Å; L95-W97 HydrophobicContact CD2-CB 4.11Å; L95-Y147 HydrophobicContact CD1-CD1 3.33Å; L95-Y147 HydrophobicContact CD1-CD2 4.04Å; L95-Y147 HydrophobicContact CD1-CE1 3.52Å; L95-Y147 HydrophobicContact CD1-CE2 4.19Å; L95-Y147 HydrophobicContact CD1-CG 3.61Å; L95-Y147 HydrophobicContact CD2-CE1 4.08Å; L95-Y147 HydrophobicContact CG-CD1 4.01Å; L95-Y147 HydrophobicContact CG-CE1 3.74Å; L95-L152 HydrophobicContact CB-CB 4.15Å; L95-L152 HydrophobicContact CB-CD1 4.36Å; L95-L152 HydrophobicContact CD1-CB 4.29Å
96	T	97.2	Very high	94.5	Very high	74 Å²	74	61.6 Å²	61.6	45%	0.454	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.9	175	-57.8	0	0	0	0	110.1	H75	H75-T96 VanDerWaalsContact CE1-CG2 3.47Å; H75-T96 WeakPolarHBondContact CE1-CG2 3.3Å; H75-T96 PolarHBondContact CE1-OG1 3.31Å; H75-T96 PolarHBondContact ND1-OG1 2.89Å
97	W	97.9	Very high	95.1	Very high	7 Å²	7	58.3 Å²	58.3	3%	0.027	29%	0.291	C	S	.	.			trans	-144.4	86	177	-179.3	10.7	0	0	0	109.3	D74 L95 N119 I121 V134 S143 R145 Y147	D74-W97 CarbonylContact O-C 3.6Å; D74-W97 PolarHBondContact O-N 3.31Å; L95-W97 HydrophobicContact CD2-CB 4.11Å; W97-N119 VanDerWaalsContact CD2-ND2 3.26Å; W97-N119 WeakPolarHBondContact O-CB 3.34Å; W97-N119 PolarHBondContact O-ND2 2.9Å; W97-I121 HydrophobicContact CE3-CD1 3.92Å; W97-I121 HydrophobicContact CZ3-CD1 4.4Å; W97-V134 HydrophobicContact CE3-CG1 4.31Å; W97-V134 HydrophobicContact CZ3-CB 4.43Å; W97-V134 HydrophobicContact CZ3-CG1 4.08Å; W97-S143 WeakPolarHBondContact CH2-O 3.28Å; W97-R145 HydrophobicContact CH2-CB 4.26Å; W97-R145 HydrophobicContact CH2-CG 3.82Å; W97-R145 HydrophobicContact CZ2-CG 3.95Å; W97-R145 HydrophobicContact CZ3-CB 4.33Å; W97-R145 HydrophobicContact CZ3-CG 4.28Å; W97-R145 VanDerWaalsContact NE1-CZ 3.35Å; W97-Y147 WeakPolarHBondContact CB-OH 3.41Å; W97-Y147 AromaticContact CE3-CE2 3.98Å; W97-Y147 HydrophobicContact CE3-CE2 3.98Å; W97-Y147 HydrophobicContact CZ3-CE2 4.27Å
98	K	98.1	Very high	95.9	Very high	136 Å²	136	56.9 Å²	56.9	59%	0.591	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-78	153.2	170.2	-71.4	177.6	175.1	-173.6	0	110.8	D74	D74-K98 HydrophobicContact CB-CG 3.7Å
99	S	98.1	Very high	96.4	Very high	17 Å²	17	62.5 Å²	62.5	12%	0.119	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-61.1	153.5	165.3	-63.9	0	0	0	0	111.6	N119 N138 A139	S99-N119 PolarHBondContact OG-N 2.92Å; S99-N138 VanDerWaalsContact CA-OD1 3.31Å; S99-N138 WeakPolarHBondContact CA-OD1 3.3Å; S99-N138 WeakPolarHBondContact CB-OD1 3.17Å; S99-N138 VanDerWaalsContact OG-C 3.29Å; S99-N138 WeakPolarHBondContact OG-CA 3.42Å; S99-N138 PolarHBondContact OG-OD1 3.2Å; S99-N138 VanDerWaalsContact OG-OD1 3.11Å; S99-A139 PolarHBondContact OG-N 3.22Å
100	R	97.9	Very high	96.6	Very high	146 Å²	146	67.6 Å²	67.6	55%	0.551	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-74.3	147.3	172.1	-44.5	173.4	-169.5	-169.3	2.3	108.4	A102 D103 V104 E158	R100-A102 PolarHBondContact O-N 3.43Å; R100-D103 VanDerWaalsContact CB-OD2 3.31Å; R100-D103 WeakPolarHBondContact CB-OD2 3.48Å; R100-D103 WeakPolarHBondContact CG-OD2 3.42Å; R100-D103 WeakPolarHBondContact O-CB 3.47Å; R100-D103 PolarHBondContact O-N 2.81Å; R100-V104 PolarHBondContact O-N 3.46Å; R100-V104 VanDerWaalsContact O-N 3.16Å; R100-E158 IonicContact CZ-OE2 3.92Å; R100-E158 IonicContact NH2-OE1 3.34Å; R100-E158 IonicContact NH2-OE2 2.7Å; R100-E158 PolarHBondContact NH2-OE2 3.39Å
101	Q	98	Very high	96.8	Very high	116 Å²	116	67.4 Å²	67.4	54%	0.542	35%	0.349	S	S	.	.	H	α-helix	trans	-57.6	-38.6	-176.2	-172.8	53.9	47	0	0	112.3	D103 V104 D105	Q101-D103 VanDerWaalsContact C-N 3.34Å; Q101-D103 PolarHBondContact O-N 3.15Å; Q101-V104 WeakPolarHBondContact O-CB 3.48Å; Q101-V104 PolarHBondContact O-N 3.37Å; Q101-V104 VanDerWaalsContact O-N 3.14Å; Q101-D105 WeakPolarHBondContact CG-OD2 3.16Å; Q101-D105 PolarHBondContact NE2-OD1 2.64Å; Q101-D105 PolarHBondContact NE2-OD2 3.45Å; Q101-D105 PolarHBondContact O-N 2.72Å
102	A	98.3	Very high	97.1	Very high	69 Å²	69	69.9 Å²	69.9	57%	0.57	36%	0.36	S	S	*	.	H	α-helix	trans	-60.8	-33	173.3	0	0	0	0	0	114.7	R100 T106	R100-A102 PolarHBondContact O-N 3.43Å; A102-T106 WeakPolarHBondContact O-CB 3.34Å; A102-T106 PolarHBondContact O-N 3.39Å; A102-T106 PolarHBondContact O-OG1 2.85Å
103	D	97.9	Very high	97.3	Very high	22 Å²	22	73.5 Å²	73.5	12%	0.118	37%	0.371	C	S	.	.	H	α-helix	trans	-69.2	-43.7	172.6	-66.9	-65	0	0	0	110.4	R100 Q101 T106 C107 A139 N141	R100-D103 VanDerWaalsContact CB-OD2 3.31Å; R100-D103 WeakPolarHBondContact CB-OD2 3.48Å; R100-D103 WeakPolarHBondContact CG-OD2 3.42Å; R100-D103 WeakPolarHBondContact O-CB 3.47Å; R100-D103 PolarHBondContact O-N 2.81Å; Q101-D103 VanDerWaalsContact C-N 3.34Å; Q101-D103 PolarHBondContact O-N 3.15Å; D103-T106 PolarHBondContact O-N 3.21Å; D103-C107 WeakPolarHBondContact O-CB 3.44Å; D103-C107 PolarHBondContact O-N 2.94Å; D103-A139 HydrophobicContact CB-CB 4.38Å; D103-N141 PolarHBondContact OD1-ND2 2.82Å
104	V	98.4	Very high	97.4	Very high	14 Å²	14	75.2 Å²	75.2	9%	0.085	38%	0.378	C	S	.	.	H	α-helix	trans	-61.9	-43.8	178	179.3	0	0	0	0	111.5	R100 Q101 C107 R108 C117 A139	R100-V104 PolarHBondContact O-N 3.46Å; R100-V104 VanDerWaalsContact O-N 3.16Å; Q101-V104 WeakPolarHBondContact O-CB 3.48Å; Q101-V104 PolarHBondContact O-N 3.37Å; Q101-V104 VanDerWaalsContact O-N 3.14Å; V104-C107 WeakPolarHBondContact O-CB 3.44Å; V104-C107 PolarHBondContact O-N 2.85Å; V104-R108 WeakPolarHBondContact O-CG 3.47Å; V104-R108 PolarHBondContact O-N 2.98Å; V104-C117 HydrophobicContact CG1-CB 4.23Å; V104-A139 HydrophobicContact CG2-CB 4.3Å
105	D	98.2	Very high	97.3	Very high	63 Å²	63	75.9 Å²	75.9	34%	0.337	39%	0.386	S	S	.	.	H	α-helix	trans	-70.1	-39.9	178.1	-64.4	-33.6	0	0	0	111.2	Q101 C107 R108 M109	Q101-D105 WeakPolarHBondContact CG-OD2 3.16Å; Q101-D105 PolarHBondContact NE2-OD1 2.64Å; Q101-D105 PolarHBondContact NE2-OD2 3.45Å; Q101-D105 PolarHBondContact O-N 2.72Å; D105-C107 VanDerWaalsContact C-N 3.29Å; D105-C107 PolarHBondContact O-N 2.63Å; D105-R108 PolarHBondContact O-N 3.25Å; D105-M109 WeakPolarHBondContact O-CB 3.33Å; D105-M109 WeakPolarHBondContact O-CG 3.27Å; D105-M109 PolarHBondContact O-N 2.91Å
106	T	98.4	Very high	97.3	Very high	57 Å²	57	77.1 Å²	77.1	35%	0.35	39%	0.392	S	S	.	.	H	α-helix	trans	-60.8	-37.7	172.3	-62.2	0	0	0	0	112.2	A102 D103 K110	A102-T106 WeakPolarHBondContact O-CB 3.34Å; A102-T106 PolarHBondContact O-N 3.39Å; A102-T106 PolarHBondContact O-OG1 2.85Å; D103-T106 PolarHBondContact O-N 3.21Å; T106-K110 HydrophobicContact CG2-CD 4.43Å; T106-K110 VanDerWaalsContact O-CG 3.31Å; T106-K110 WeakPolarHBondContact O-CG 3.35Å; T106-K110 PolarHBondContact O-N 3.31Å
107	C	98.3	Very high	97.3	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.007	37%	0.37	C	S	.	.	H	α-helix	trans	-63.8	-46.9	174.8	177.9	0	0	0	0	112.1	D103 V104 D105 K110 K112 C117 A139 F140	D103-C107 WeakPolarHBondContact O-CB 3.44Å; D103-C107 PolarHBondContact O-N 2.94Å; V104-C107 WeakPolarHBondContact O-CB 3.44Å; V104-C107 PolarHBondContact O-N 2.85Å; D105-C107 VanDerWaalsContact C-N 3.29Å; D105-C107 PolarHBondContact O-N 2.63Å; C107-K110 PolarHBondContact O-N 2.94Å; C107-K112 PolarHBondContact O-N 2.84Å; C107-C117 VanDerWaalsContact C-SG 3.56Å; C107-C117 HydrophobicContact CB-CB 3.68Å; C107-C117 WeakPolarHBondContact CB-SG 3.26Å; C107-C117 WeakPolarHBondContact SG-CA 3.42Å; C107-C117 WeakPolarHBondContact SG-CB 3.18Å; C107-C117 CovalentContact SG-SG 2.04Å; C107-C117 PolarHBondContact SG-SG 3.41Å; C107-A139 HydrophobicContact CB-CB 3.94Å; C107-A139 VanDerWaalsContact CB-O 3.3Å; C107-A139 WeakPolarHBondContact CB-O 3.32Å; C107-F140 VanDerWaalsContact SG-CD2 3.55Å
108	R	97.9	Very high	97.3	Very high	108 Å²	108	75.6 Å²	75.6	41%	0.408	38%	0.38	S	S	.	.	H	α-helix	trans	-67.3	-38.1	177.3	-68	177.3	-170.2	166.6	7.2	112.6	V104 D105 K110 G111 C117	V104-R108 WeakPolarHBondContact O-CG 3.47Å; V104-R108 PolarHBondContact O-N 2.98Å; D105-R108 PolarHBondContact O-N 3.25Å; R108-K110 PolarHBondContact O-N 3.06Å; R108-G111 WeakPolarHBondContact O-CA 3.46Å; R108-G111 PolarHBondContact O-N 2.78Å; R108-C117 HydrophobicContact CG-CB 4.39Å
109	M	97.6	Very high	97.4	Very high	154 Å²	154	69.1 Å²	69.1	76%	0.759	35%	0.352	S	S	*	.	H	α-helix	trans	-62	-25.1	173	-74.6	-168.8	-69.1	0	0	112.9	D105 G111	D105-M109 WeakPolarHBondContact O-CB 3.33Å; D105-M109 WeakPolarHBondContact O-CG 3.27Å; D105-M109 PolarHBondContact O-N 2.91Å; M109-G111 VanDerWaalsContact C-N 3.26Å; M109-G111 PolarHBondContact O-N 3.06Å
110	K	96.6	Very high	97.4	Very high	109 Å²	109	69 Å²	69	47%	0.474	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	11.2	171	-65.3	168	-176.3	171.1	0	113.6	T106 C107 R108 F190	T106-K110 HydrophobicContact CG2-CD 4.43Å; T106-K110 VanDerWaalsContact O-CG 3.31Å; T106-K110 WeakPolarHBondContact O-CG 3.35Å; T106-K110 PolarHBondContact O-N 3.31Å; C107-K110 PolarHBondContact O-N 2.94Å; R108-K110 PolarHBondContact O-N 3.06Å; K110-F190 HydrophobicContact CB-CE1 4.15Å; K110-F190 HydrophobicContact CB-CE2 4.07Å; K110-F190 HydrophobicContact CB-CZ 3.53Å; K110-F190 HydrophobicContact CD-CD2 4.04Å; K110-F190 HydrophobicContact CD-CE1 4.46Å; K110-F190 HydrophobicContact CD-CE2 3.63Å; K110-F190 HydrophobicContact CD-CZ 3.88Å; K110-F190 HydrophobicContact CG-CE2 4.49Å; K110-F190 HydrophobicContact CG-CZ 4.28Å
111	G	96.6	Very high	97.4	Very high	66 Å²	66	62 Å²	62	68%	0.68	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	14.3	174.1	0	0	0	0	0	115.8	R108 M109	R108-G111 WeakPolarHBondContact O-CA 3.46Å; R108-G111 PolarHBondContact O-N 2.78Å; M109-G111 VanDerWaalsContact C-N 3.26Å; M109-G111 PolarHBondContact O-N 3.06Å
112	K	97.6	Very high	97.5	Very high	54 Å²	54	57.6 Å²	57.6	24%	0.235	30%	0.302	C	S	.	.			trans	-82.1	149.7	176.1	-76.2	-74.4	-178	166.9	0	112.1	C107 E116 F140 D168 F190	C107-K112 PolarHBondContact O-N 2.84Å; K112-E116 WeakPolarHBondContact CD-OE2 3.32Å; K112-F140 HydrophobicContact CB-CE2 4.4Å; K112-F140 HydrophobicContact CD-CD1 4.35Å; K112-F140 HydrophobicContact CD-CD2 4.44Å; K112-F140 HydrophobicContact CD-CE1 3.79Å; K112-F140 HydrophobicContact CD-CE2 3.87Å; K112-F140 HydrophobicContact CD-CZ 3.52Å; K112-F140 VanDerWaalsContact CE-CZ 3.45Å; K112-F140 HydrophobicContact CG-CD1 4.36Å; K112-F140 HydrophobicContact CG-CD2 4.16Å; K112-F140 HydrophobicContact CG-CE1 4.28Å; K112-F140 HydrophobicContact CG-CE2 4.05Å; K112-F140 HydrophobicContact CG-CG 4.34Å; K112-F140 HydrophobicContact CG-CZ 4.12Å; K112-F140 VanDerWaalsContact NZ-CE1 3.3Å; K112-D168 IonicContact NZ-OD2 2.75Å; K112-D168 PolarHBondContact NZ-OD2 2.94Å; K112-F190 HydrophobicContact CG-CE2 4.31Å; K112-F190 HydrophobicContact CG-CZ 3.91Å
113	H	96.4	Very high	97.5	Very high	132 Å²	132	54.5 Å²	54.5	61%	0.611	28%	0.275	S	S	*	.			trans	-69.9	151.1	-176.7	-67.9	-83.5	0	0	0	111.7	D115 E116 C117	H113-D115 PolarHBondContact O-N 3.21Å; H113-D115 VanDerWaalsContact O-N 3.14Å; H113-E116 HydrophobicContact CB-CG 4.03Å; H113-E116 IonicContact CD2-OE2 3.98Å; H113-E116 PolarHBondContact N-OE2 2.84Å; H113-E116 PolarHBondContact O-N 2.92Å; H113-C117 PolarHBondContact O-N 2.81Å; H113-C117 PolarHBondContact O-SG 2.86Å; H113-C117 VanDerWaalsContact O-SG 3.41Å
114	K	94.8	Very high	97.5	Very high	133 Å²	133	53.5 Å²	53.5	58%	0.578	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	-48.2	-180	176.2	-177.7	172.1	-170	0	112.3	E116 C117	K114-E116 VanDerWaalsContact C-N 3.32Å; K114-E116 PolarHBondContact O-N 3.36Å; K114-C117 PolarHBondContact O-N 3.3Å
115	D	93.1	Very high	97.4	Very high	111 Å²	111	54 Å²	54	59%	0.594	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-19.6	-171.8	-39.9	-46.7	0	0	0	112.1	H113 F120	H113-D115 PolarHBondContact O-N 3.21Å; H113-D115 VanDerWaalsContact O-N 3.14Å; D115-F120 VanDerWaalsContact O-CZ 3.26Å; D115-F120 WeakPolarHBondContact O-CZ 3.46Å
116	E	95.8	Very high	97.3	Very high	30 Å²	30	54.3 Å²	54.3	14%	0.14	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-25.1	173	-55	179.7	137.5	0	0	111.7	K112 H113 K114 H118 F140 K170	K112-E116 WeakPolarHBondContact CD-OE2 3.32Å; H113-E116 HydrophobicContact CB-CG 4.03Å; H113-E116 IonicContact CD2-OE2 3.98Å; H113-E116 PolarHBondContact N-OE2 2.84Å; H113-E116 PolarHBondContact O-N 2.92Å; K114-E116 VanDerWaalsContact C-N 3.32Å; K114-E116 PolarHBondContact O-N 3.36Å; E116-H118 PolarHBondContact O-N 3.49Å; E116-F140 HydrophobicContact CB-CE2 3.85Å; E116-F140 HydrophobicContact CB-CZ 4.35Å; E116-F140 WeakPolarHBondContact O-CE2 3.34Å; E116-K170 IonicContact OE1-NZ 3.05Å; E116-K170 PolarHBondContact OE1-NZ 2.85Å
117	C	97.9	Very high	97	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-81.8	52.2	-179.5	-64.8	0	0	0	0	113.4	V104 C107 R108 H113 K114 A139	V104-C117 HydrophobicContact CG1-CB 4.23Å; C107-C117 VanDerWaalsContact C-SG 3.56Å; C107-C117 HydrophobicContact CB-CB 3.68Å; C107-C117 WeakPolarHBondContact CB-SG 3.26Å; C107-C117 WeakPolarHBondContact SG-CA 3.42Å; C107-C117 WeakPolarHBondContact SG-CB 3.18Å; C107-C117 CovalentContact SG-SG 2.04Å; C107-C117 PolarHBondContact SG-SG 3.41Å; R108-C117 HydrophobicContact CG-CB 4.39Å; H113-C117 PolarHBondContact O-N 2.81Å; H113-C117 PolarHBondContact O-SG 2.86Å; H113-C117 VanDerWaalsContact O-SG 3.41Å; K114-C117 PolarHBondContact O-N 3.3Å; C117-A139 HydrophobicContact CB-CB 4.3Å
118	H	98.3	Very high	96.6	Very high	50 Å²	50	60 Å²	60	23%	0.231	29%	0.294	C	S	.	.	S	Bend	trans	-126.6	172.7	175.5	-80.1	-103.5	0	0	0	111.4	R73 D74 E116 F120 T137 A139	R73-H118 HydrophobicContact CG-CB 3.7Å; D74-H118 IonicContact OD1-ND1 3.29Å; D74-H118 IonicContact OD2-CE1 2.72Å; D74-H118 IonicContact OD2-CG 3.85Å; D74-H118 IonicContact OD2-ND1 2.93Å; D74-H118 PolarHBondContact OD2-ND1 2.87Å; E116-H118 PolarHBondContact O-N 3.49Å; H118-F120 HydrophobicContact CB-CD2 4.24Å; H118-F120 HydrophobicContact CB-CE2 3.72Å; H118-F120 HydrophobicContact CB-CZ 4.17Å; H118-F120 PolarHBondContact O-N 3.02Å; H118-T137 PolarHBondContact O-OG1 2.79Å; H118-A139 PolarHBondContact O-N 2.96Å
119	N	98.6	Very high	96.3	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.302	C	S	.	.			trans	-92.3	92.3	174.2	-171.8	28.3	0	0	0	111.1	D74 W97 S99 G136 T137 N138	D74-N119 WeakPolarHBondContact CA-O 3.29Å; D74-N119 PolarHBondContact N-O 3.25Å; D74-N119 PolarHBondContact OD1-N 3.4Å; W97-N119 VanDerWaalsContact CD2-ND2 3.26Å; W97-N119 WeakPolarHBondContact O-CB 3.34Å; W97-N119 PolarHBondContact O-ND2 2.9Å; S99-N119 PolarHBondContact OG-N 2.92Å; N119-G136 VanDerWaalsContact OD1-C 3.26Å; N119-G136 VanDerWaalsContact OD1-CA 3.28Å; N119-G136 WeakPolarHBondContact OD1-CA 3.14Å; N119-T137 PolarHBondContact OD1-N 3.29Å; N119-N138 VanDerWaalsContact OD1-CA 3.32Å; N119-N138 WeakPolarHBondContact OD1-CA 3.43Å; N119-N138 PolarHBondContact OD1-N 2.69Å
120	F	98.7	Very high	96	Very high	13 Å²	13	58.4 Å²	58.4	6%	0.057	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-84.2	122.9	174.2	-61.9	-94.1	0	0	0	109.2	D57 Q59 R73 D115 H118 K122 G136 T137 A169	D57-F120 HydrophobicContact CB-CD1 4.21Å; D57-F120 HydrophobicContact CB-CE1 3.72Å; Q59-F120 HydrophobicContact CG-CB 4.23Å; R73-F120 HydrophobicContact CB-CD1 3.68Å; R73-F120 HydrophobicContact CB-CE1 3.68Å; R73-F120 HydrophobicContact CB-CG 4.48Å; R73-F120 HydrophobicContact CB-CZ 4.46Å; R73-F120 HydrophobicContact CG-CD1 3.98Å; R73-F120 HydrophobicContact CG-CE1 3.72Å; R73-F120 HydrophobicContact CG-CG 4.5Å; R73-F120 HydrophobicContact CG-CZ 4.01Å; D115-F120 VanDerWaalsContact O-CZ 3.26Å; D115-F120 WeakPolarHBondContact O-CZ 3.46Å; H118-F120 HydrophobicContact CB-CD2 4.24Å; H118-F120 HydrophobicContact CB-CE2 3.72Å; H118-F120 HydrophobicContact CB-CZ 4.17Å; H118-F120 PolarHBondContact O-N 3.02Å; F120-K122 PolarHBondContact O-N 3.32Å; F120-G136 CarbonylContact O-C 3.6Å; F120-G136 WeakPolarHBondContact O-CA 2.92Å; F120-T137 HydrophobicContact CB-CG2 4Å; F120-T137 PolarHBondContact N-OG1 3.03Å; F120-T137 PolarHBondContact O-N 2.86Å; F120-A169 HydrophobicContact CB-CB 3.67Å; F120-A169 HydrophobicContact CD1-CB 3.88Å; F120-A169 HydrophobicContact CD2-CB 3.59Å; F120-A169 HydrophobicContact CE1-CB 4.39Å; F120-A169 HydrophobicContact CE2-CB 4.14Å; F120-A169 HydrophobicContact CG-CB 3.43Å; F120-A169 VanDerWaalsContact CG-CB 3.43Å
121	I	98.8	Very high	95.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	118.7	178.9	-55.3	-55.8	0	0	0	109.2	Q59 A71 A72 I76 W97 V134	Q59-I121 WeakPolarHBondContact CB-O 3.31Å; Q59-I121 WeakPolarHBondContact CG-O 3.47Å; A71-I121 HydrophobicContact CB-CB 4.1Å; A71-I121 HydrophobicContact CB-CG2 3.85Å; A72-I121 PolarHBondContact O-N 2.87Å; I76-I121 HydrophobicContact CD1-CG2 4.09Å; I76-I121 HydrophobicContact CG1-CB 4.46Å; I76-I121 HydrophobicContact CG1-CG1 4.18Å; I76-I121 HydrophobicContact CG1-CG2 4.05Å; W97-I121 HydrophobicContact CE3-CD1 3.92Å; W97-I121 HydrophobicContact CZ3-CD1 4.4Å; I121-V134 HydrophobicContact CD1-CG1 4.18Å; I121-V134 HydrophobicContact CG2-CG1 3.73Å
122	K	98.5	Very high	95.9	Very high	24 Å²	24	50.3 Å²	50.3	10%	0.104	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	-8.7	-171.6	-66	-69	-64	-168.2	0	113.6	Q59 F120 C135 T137 P166 A169 H171 N173	Q59-K122 HydrophobicContact CB-CD 4.2Å; Q59-K122 HydrophobicContact CG-CD 4.04Å; F120-K122 PolarHBondContact O-N 3.32Å; K122-C135 PolarHBondContact N-O 3.22Å; K122-T137 HydrophobicContact CG-CG2 3.84Å; K122-P166 HydrophobicContact CB-CG 4.04Å; K122-P166 HydrophobicContact CG-CG 4.02Å; K122-A169 PolarHBondContact NZ-O 3.32Å; K122-H171 WeakPolarHBondContact CE-O 3.32Å; K122-H171 PolarHBondContact NZ-O 2.92Å; K122-N173 WeakPolarHBondContact CE-OD1 3.33Å; K122-N173 PolarHBondContact O-ND2 2.83Å
123	V	98.6	Very high	95.9	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128	168	-179.5	0	0	0	0	107.9	L125 F133 V134 C135 C165 A175	V123-L125 HydrophobicContact CG1-CD1 3.91Å; V123-L125 HydrophobicContact CG1-CG 3.98Å; V123-F133 HydrophobicContact CG1-CD1 4.28Å; V123-F133 HydrophobicContact CG1-CE1 4.42Å; V123-V134 WeakPolarHBondContact O-CA 3.42Å; V123-C135 HydrophobicContact CB-CB 3.8Å; V123-C135 HydrophobicContact CG2-CB 4.05Å; V123-C135 PolarHBondContact N-O 2.9Å; V123-C135 PolarHBondContact O-N 2.88Å; V123-C165 HydrophobicContact CG2-CB 4.42Å; V123-A175 HydrophobicContact CB-CB 4.31Å; V123-A175 HydrophobicContact CG1-CB 3.63Å; V123-A175 HydrophobicContact CG2-CB 3.74Å
124	L	98.3	Very high	96	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	122.4	166.6	173.6	60.2	0	0	0	106.5	M62 M64 Y69 I76 L132 F133 V134	M62-L124 WeakPolarHBondContact CE-O 3.41Å; M62-L124 HydrophobicContact CG-CD2 4.19Å; M62-L124 HydrophobicContact SD-CB 3.83Å; M62-L124 HydrophobicContact SD-CD2 3.75Å; M62-L124 HydrophobicContact SD-CG 3.55Å; M62-L124 VanDerWaalsContact SD-CG 3.55Å; M64-L124 HydrophobicContact CE-CG 4.26Å; Y69-L124 HydrophobicContact CD1-CD2 4.18Å; Y69-L124 HydrophobicContact CG-CD2 4.15Å; I76-L124 HydrophobicContact CD1-CD1 3.94Å; I76-L124 HydrophobicContact CD1-CD2 4.22Å; I76-L124 HydrophobicContact CG2-CD2 4.17Å; L124-L132 HydrophobicContact CD1-CB 4.23Å; L124-L132 HydrophobicContact CD1-CD1 4.37Å; L124-L132 HydrophobicContact CD1-CD2 4.49Å; L124-F133 WeakPolarHBondContact CA-O 3.37Å; L124-V134 HydrophobicContact CD1-CG2 3.78Å
125	L	97.4	Very high	96.2	Very high	24 Å²	24	35.2 Å²	35.2	13%	0.126	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	144.8	-177.8	-65.4	172.4	0	0	0	110.1	V123 L132 F133 A175 F177 L182	V123-L125 HydrophobicContact CG1-CD1 3.91Å; V123-L125 HydrophobicContact CG1-CG 3.98Å; L125-L132 CarbonylContact O-C 3.59Å; L125-L132 WeakPolarHBondContact O-CA 3.02Å; L125-F133 PolarHBondContact N-O 3.45Å; L125-F133 PolarHBondContact O-N 2.87Å; L125-A175 HydrophobicContact CD1-CB 4.04Å; L125-F177 HydrophobicContact CB-CD2 3.9Å; L125-F177 HydrophobicContact CB-CE2 4.19Å; L125-F177 HydrophobicContact CD1-CD2 3.61Å; L125-F177 HydrophobicContact CD1-CE2 3.91Å; L125-F177 HydrophobicContact CG-CD2 4.38Å; L125-L182 HydrophobicContact CD1-CD1 3.8Å
126	K	95.6	Very high	96.5	Very high	70 Å²	70	30 Å²	30	30%	0.304	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	124.1	164.4	-168.9	175.1	-179.4	-175.1	0	107.8	M64 N65 N128 D129	M64-K126 HydrophobicContact CE-CB 4.16Å; M64-K126 HydrophobicContact SD-CB 3.84Å; M64-K126 HydrophobicContact SD-CG 4.44Å; N65-K126 PolarHBondContact OD1-NZ 2.84Å; K126-N128 WeakPolarHBondContact CE-O 3.45Å; K126-N128 WeakPolarHBondContact CG-O 3.27Å; K126-D129 VanDerWaalsContact CE-OD1 3.25Å; K126-D129 WeakPolarHBondContact CE-OD1 3.5Å; K126-D129 IonicContact NZ-OD1 3.71Å; K126-D129 PolarHBondContact NZ-OD1 3.35Å
127	K	91.8	Very high	96.6	Very high	99 Å²	99	28.5 Å²	28.5	43%	0.43	14%	0.141	S	C	.	.			trans	-95.9	-40.4	-179.3	-171.8	-172.2	178.5	-172.9	0	111.2	A131 F133 N146 F177	K127-A131 WeakPolarHBondContact CB-O 3.35Å; K127-A131 PolarHBondContact N-O 3.49Å; K127-F133 HydrophobicContact CB-CB 4.24Å; K127-N146 PolarHBondContact NZ-OD1 3.43Å; K127-F177 HydrophobicContact CG-CZ 4.39Å
128	N	90.3	Very high	96.6	Very high	78 Å²	78	28.7 Å²	28.7	42%	0.417	14%	0.142	S	C	.	.	S	Bend	trans	-155.2	-168.4	167.6	64.3	-11.8	0	0	0	106.9	K126 D130 A131	K126-N128 WeakPolarHBondContact CE-O 3.45Å; K126-N128 WeakPolarHBondContact CG-O 3.27Å; N128-D130 VanDerWaalsContact C-N 3.35Å; N128-D130 PolarHBondContact O-N 2.65Å; N128-D130 PolarHBondContact OD1-N 2.73Å; N128-A131 PolarHBondContact N-O 3.4Å; N128-A131 WeakPolarHBondContact OD1-CA 3.37Å; N128-A131 WeakPolarHBondContact OD1-CB 3.44Å; N128-A131 PolarHBondContact OD1-N 2.04Å
129	D	90.3	Very high	96.6	Very high	108 Å²	108	26.4 Å²	26.4	58%	0.578	13%	0.132	S	C	*	.	S	Bend	trans	-68.5	-29.2	-178.4	-65.9	-68.7	0	0	0	114.5	K126	K126-D129 VanDerWaalsContact CE-OD1 3.25Å; K126-D129 WeakPolarHBondContact CE-OD1 3.5Å; K126-D129 IonicContact NZ-OD1 3.71Å; K126-D129 PolarHBondContact NZ-OD1 3.35Å
130	D	92	Very high	96.6	Very high	120 Å²	120	26.7 Å²	26.7	64%	0.642	13%	0.133	S	C	*	.	S	Bend	trans	-94	-17.2	-177.5	-50.6	-62.2	0	0	0	114.2	N128 K148 M149	N128-D130 VanDerWaalsContact C-N 3.35Å; N128-D130 PolarHBondContact O-N 2.65Å; N128-D130 PolarHBondContact OD1-N 2.73Å; D130-K148 CarbonylContact O-C 3.27Å; D130-K148 WeakPolarHBondContact O-CA 3.46Å; D130-M149 PolarHBondContact O-N 3.36Å
131	A	94.4	Very high	96.6	Very high	4 Å²	4	30 Å²	30	3%	0.033	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.7	-168.9	0	0	0	0	0	115.1	K127 N128 Y147 F155	K127-A131 WeakPolarHBondContact CB-O 3.35Å; K127-A131 PolarHBondContact N-O 3.49Å; N128-A131 PolarHBondContact N-O 3.4Å; N128-A131 WeakPolarHBondContact OD1-CA 3.37Å; N128-A131 WeakPolarHBondContact OD1-CB 3.44Å; N128-A131 PolarHBondContact OD1-N 2.04Å; A131-Y147 WeakPolarHBondContact CA-O 3.23Å; A131-F155 HydrophobicContact CB-CE1 3.73Å; A131-F155 HydrophobicContact CB-CZ 3.61Å
132	L	97	Very high	96.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	137.1	168.2	-57.3	173.3	0	0	0	109.4	M64 Y69 L124 L125 V134 N146 Y147 M149 L152	M64-L132 HydrophobicContact CE-CD2 3.99Å; M64-L132 HydrophobicContact SD-CD2 3.54Å; M64-L132 VanDerWaalsContact SD-CD2 3.54Å; Y69-L132 HydrophobicContact CD1-CD1 4.35Å; Y69-L132 HydrophobicContact CE1-CD1 3.62Å; L124-L132 HydrophobicContact CD1-CB 4.23Å; L124-L132 HydrophobicContact CD1-CD1 4.37Å; L124-L132 HydrophobicContact CD1-CD2 4.49Å; L125-L132 CarbonylContact O-C 3.59Å; L125-L132 WeakPolarHBondContact O-CA 3.02Å; L132-V134 HydrophobicContact CB-CG2 4.24Å; L132-N146 CarbonylContact O-C 3.53Å; L132-N146 WeakPolarHBondContact O-CA 3.29Å; L132-Y147 PolarHBondContact N-O 3.16Å; L132-Y147 PolarHBondContact O-N 2.95Å; L132-M149 HydrophobicContact CD1-CG 4.39Å; L132-M149 HydrophobicContact CD2-CG 4.09Å; L132-M149 HydrophobicContact CD2-SD 4.16Å; L132-M149 HydrophobicContact CG-CB 4.18Å; L132-M149 HydrophobicContact CG-CG 4.14Å; L132-L152 HydrophobicContact CD1-CD2 3.84Å
133	F	97.8	Very high	96.6	Very high	3 Å²	3	29.4 Å²	29.4	1%	0.013	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.1	168	-179.3	-98.5	0	0	0	108.9	V123 L124 L125 K127 C135 C144 F177 L182 L201	V123-F133 HydrophobicContact CG1-CD1 4.28Å; V123-F133 HydrophobicContact CG1-CE1 4.42Å; L124-F133 WeakPolarHBondContact CA-O 3.37Å; L125-F133 PolarHBondContact N-O 3.45Å; L125-F133 PolarHBondContact O-N 2.87Å; K127-F133 HydrophobicContact CB-CB 4.24Å; F133-C135 WeakPolarHBondContact CE1-SG 3.35Å; F133-C144 HydrophobicContact CE2-CB 4.08Å; F133-C144 HydrophobicContact CZ-CB 3.74Å; F133-F177 HydrophobicContact CB-CE2 3.68Å; F133-F177 HydrophobicContact CB-CZ 4.21Å; F133-F177 AromaticContact CD1-CE2 3.68Å; F133-F177 HydrophobicContact CD1-CE2 3.68Å; F133-F177 HydrophobicContact CD1-CZ 4.03Å; F133-F177 HydrophobicContact CD2-CZ 4.29Å; F133-F177 HydrophobicContact CE1-CE2 4.44Å; F133-F177 HydrophobicContact CE1-CZ 4.47Å; F133-F177 AromaticContact CG-CE2 3.71Å; F133-F177 HydrophobicContact CG-CE2 3.71Å; F133-F177 AromaticContact CG-CZ 3.92Å; F133-F177 HydrophobicContact CG-CZ 3.92Å; F133-L182 HydrophobicContact CE1-CD1 4.25Å; F133-L182 HydrophobicContact CE1-CD2 3.54Å; F133-L182 HydrophobicContact CZ-CD2 3.73Å; F133-L201 HydrophobicContact CE2-CD1 3.85Å; F133-L201 HydrophobicContact CZ-CD1 3.97Å
134	V	98.6	Very high	96.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.9	-170.1	-172.6	0	0	0	0	109.7	I76 W97 I121 V123 L124 L132 C144 R145 Y147	I76-V134 HydrophobicContact CD1-CG1 3.68Å; I76-V134 HydrophobicContact CD1-CG2 3.99Å; W97-V134 HydrophobicContact CE3-CG1 4.31Å; W97-V134 HydrophobicContact CZ3-CB 4.43Å; W97-V134 HydrophobicContact CZ3-CG1 4.08Å; I121-V134 HydrophobicContact CD1-CG1 4.18Å; I121-V134 HydrophobicContact CG2-CG1 3.73Å; V123-V134 WeakPolarHBondContact O-CA 3.42Å; L124-V134 HydrophobicContact CD1-CG2 3.78Å; L132-V134 HydrophobicContact CB-CG2 4.24Å; V134-C144 CarbonylContact O-C 3.55Å; V134-C144 VanDerWaalsContact O-CA 3.25Å; V134-C144 WeakPolarHBondContact O-CA 3.35Å; V134-R145 PolarHBondContact N-O 2.92Å; V134-R145 PolarHBondContact O-N 2.88Å; V134-Y147 HydrophobicContact CB-CD2 3.8Å; V134-Y147 HydrophobicContact CB-CE2 3.99Å; V134-Y147 HydrophobicContact CG1-CE2 4.45Å; V134-Y147 HydrophobicContact CG2-CD2 3.55Å; V134-Y147 HydrophobicContact CG2-CE2 4.18Å; V134-Y147 HydrophobicContact CG2-CG 4.33Å
135	C	98.7	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.2	168.9	-45.3	0	0	0	0	111.8	K122 V123 F133 S143 C144 C165	K122-C135 PolarHBondContact N-O 3.22Å; V123-C135 HydrophobicContact CB-CB 3.8Å; V123-C135 HydrophobicContact CG2-CB 4.05Å; V123-C135 PolarHBondContact N-O 2.9Å; V123-C135 PolarHBondContact O-N 2.88Å; F133-C135 WeakPolarHBondContact CE1-SG 3.35Å; C135-S143 CarbonylContact C-O 3.49Å; C135-S143 WeakPolarHBondContact CA-O 3.4Å; C135-S143 VanDerWaalsContact CB-O 3.24Å; C135-S143 WeakPolarHBondContact CB-O 3.04Å; C135-C144 HydrophobicContact CB-CB 4.03Å; C135-C144 WeakPolarHBondContact CB-SG 3.29Å; C135-C144 WeakPolarHBondContact SG-CB 3.37Å; C135-C144 CovalentContact SG-SG 2.04Å; C135-C144 PolarHBondContact SG-SG 2.92Å; C135-C165 HydrophobicContact CB-CB 3.61Å
136	G	98.6	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	163.2	175.2	0	0	0	0	0	113.3	N119 F120 N138 P142 S143 C165	N119-G136 VanDerWaalsContact OD1-C 3.26Å; N119-G136 VanDerWaalsContact OD1-CA 3.28Å; N119-G136 WeakPolarHBondContact OD1-CA 3.14Å; F120-G136 CarbonylContact O-C 3.6Å; F120-G136 WeakPolarHBondContact O-CA 2.92Å; G136-N138 PolarHBondContact O-N 2.84Å; G136-P142 WeakPolarHBondContact O-CA 3.34Å; G136-S143 PolarHBondContact N-O 3.03Å; G136-S143 PolarHBondContact O-N 2.89Å; G136-S143 VanDerWaalsContact O-N 3.09Å; G136-C165 PolarHBondContact O-SG 3.05Å
137	T	98.6	Very high	96.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.			trans	-61.4	-25	-178.1	59.9	0	0	0	0	113	H118 N119 F120 K122 A139 F140 N141 P166 A169	H118-T137 PolarHBondContact O-OG1 2.79Å; N119-T137 PolarHBondContact OD1-N 3.29Å; F120-T137 HydrophobicContact CB-CG2 4Å; F120-T137 PolarHBondContact N-OG1 3.03Å; F120-T137 PolarHBondContact O-N 2.86Å; K122-T137 HydrophobicContact CG-CG2 3.84Å; T137-A139 PolarHBondContact O-N 3.48Å; T137-F140 PolarHBondContact O-N 3.08Å; T137-N141 CarbonylContact O-C 3.31Å; T137-N141 PolarHBondContact O-N 3.3Å; T137-P166 WeakPolarHBondContact CG2-O 3.5Å; T137-A169 HydrophobicContact CG2-CB 4.29Å
138	N	98.5	Very high	96.8	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.016	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	38.3	59.3	-179.2	179.8	55	0	0	0	112.7	S99 N119 G136 F140 N141	S99-N138 VanDerWaalsContact CA-OD1 3.31Å; S99-N138 WeakPolarHBondContact CA-OD1 3.3Å; S99-N138 WeakPolarHBondContact CB-OD1 3.17Å; S99-N138 VanDerWaalsContact OG-C 3.29Å; S99-N138 WeakPolarHBondContact OG-CA 3.42Å; S99-N138 PolarHBondContact OG-OD1 3.2Å; S99-N138 VanDerWaalsContact OG-OD1 3.11Å; N119-N138 VanDerWaalsContact OD1-CA 3.32Å; N119-N138 WeakPolarHBondContact OD1-CA 3.43Å; N119-N138 PolarHBondContact OD1-N 2.69Å; G136-N138 PolarHBondContact O-N 2.84Å; N138-F140 PolarHBondContact O-N 3.32Å; N138-N141 WeakPolarHBondContact CB-O 3.33Å; N138-N141 PolarHBondContact ND2-O 2.87Å; N138-N141 WeakPolarHBondContact O-CB 3.49Å; N138-N141 PolarHBondContact O-N 3.45Å; N138-N141 VanDerWaalsContact O-N 3.08Å
139	A	98.3	Very high	97	Very high	3 Å²	3	24.5 Å²	24.5	3%	0.025	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	55.3	-177.6	0	0	0	0	0	113.6	S99 D103 V104 C107 C117 H118 T137 N141	S99-A139 PolarHBondContact OG-N 3.22Å; D103-A139 HydrophobicContact CB-CB 4.38Å; V104-A139 HydrophobicContact CG2-CB 4.3Å; C107-A139 HydrophobicContact CB-CB 3.94Å; C107-A139 VanDerWaalsContact CB-O 3.3Å; C107-A139 WeakPolarHBondContact CB-O 3.32Å; C117-A139 HydrophobicContact CB-CB 4.3Å; H118-A139 PolarHBondContact O-N 2.96Å; T137-A139 PolarHBondContact O-N 3.48Å; A139-N141 PolarHBondContact O-N 3.32Å
140	F	98.3	Very high	96.9	Very high	5 Å²	5	24 Å²	24	2%	0.022	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	33.6	-176.9	-65.6	-106.7	0	0	0	113.7	C107 K112 E116 T137 N138 Y167 D168 F190	C107-F140 VanDerWaalsContact SG-CD2 3.55Å; K112-F140 HydrophobicContact CB-CE2 4.4Å; K112-F140 HydrophobicContact CD-CD1 4.35Å; K112-F140 HydrophobicContact CD-CD2 4.44Å; K112-F140 HydrophobicContact CD-CE1 3.79Å; K112-F140 HydrophobicContact CD-CE2 3.87Å; K112-F140 HydrophobicContact CD-CZ 3.52Å; K112-F140 VanDerWaalsContact CE-CZ 3.45Å; K112-F140 HydrophobicContact CG-CD1 4.36Å; K112-F140 HydrophobicContact CG-CD2 4.16Å; K112-F140 HydrophobicContact CG-CE1 4.28Å; K112-F140 HydrophobicContact CG-CE2 4.05Å; K112-F140 HydrophobicContact CG-CG 4.34Å; K112-F140 HydrophobicContact CG-CZ 4.12Å; K112-F140 VanDerWaalsContact NZ-CE1 3.3Å; E116-F140 HydrophobicContact CB-CE2 3.85Å; E116-F140 HydrophobicContact CB-CZ 4.35Å; E116-F140 WeakPolarHBondContact O-CE2 3.34Å; T137-F140 PolarHBondContact O-N 3.08Å; N138-F140 PolarHBondContact O-N 3.32Å; F140-Y167 HydrophobicContact CB-CD1 4.28Å; F140-Y167 WeakPolarHBondContact CD1-O 3.25Å; F140-Y167 WeakPolarHBondContact CG-O 3.43Å; F140-Y167 VanDerWaalsContact O-CD1 3.26Å; F140-Y167 WeakPolarHBondContact O-CD1 3.04Å; F140-Y167 WeakPolarHBondContact O-CE1 3.41Å; F140-D168 HydrophobicContact CE1-CB 3.68Å; F140-D168 WeakPolarHBondContact CE1-OD2 3.4Å; F140-D168 HydrophobicContact CZ-CB 3.87Å; F140-D168 VanDerWaalsContact CZ-OD2 3.25Å; F140-D168 WeakPolarHBondContact CZ-OD2 3.29Å; F140-F190 HydrophobicContact CB-CD2 3.78Å; F140-F190 HydrophobicContact CB-CE2 3.56Å; F140-F190 HydrophobicContact CD1-CD2 4.02Å; F140-F190 AromaticContact CD1-CE2 3.74Å; F140-F190 HydrophobicContact CD1-CE2 3.74Å; F140-F190 HydrophobicContact CD1-CZ 4.49Å; F140-F190 HydrophobicContact CG-CD2 4.29Å; F140-F190 AromaticContact CG-CE2 3.86Å; F140-F190 HydrophobicContact CG-CE2 3.86Å
141	N	98.2	Very high	97	Very high	82 Å²	82	21.2 Å²	21.2	44%	0.439	11%	0.108	S	C	.	.	S	Bend	trans	-136.9	68.7	169.5	-171.5	22.3	0	0	0	110.1	D103 T137 N138 A139 S143	D103-N141 PolarHBondContact OD1-ND2 2.82Å; T137-N141 CarbonylContact O-C 3.31Å; T137-N141 PolarHBondContact O-N 3.3Å; N138-N141 WeakPolarHBondContact CB-O 3.33Å; N138-N141 PolarHBondContact ND2-O 2.87Å; N138-N141 WeakPolarHBondContact O-CB 3.49Å; N138-N141 PolarHBondContact O-N 3.45Å; N138-N141 VanDerWaalsContact O-N 3.08Å; A139-N141 PolarHBondContact O-N 3.32Å; N141-S143 PolarHBondContact O-N 3.34Å
142	P	98.4	Very high	97.1	Very high	5 Å²	5	21.5 Å²	21.5	3%	0.032	11%	0.109	C	C	.	.			trans	-57.1	136.7	-163	-28.7	37.6	0	0	0	114.1	G136 G161 C165 P166 Y167	G136-P142 WeakPolarHBondContact O-CA 3.34Å; P142-G161 VanDerWaalsContact O-CA 3.27Å; P142-G161 WeakPolarHBondContact O-CA 3.26Å; P142-G161 PolarHBondContact O-N 2.7Å; P142-C165 HydrophobicContact CB-CB 4.11Å; P142-P166 WeakPolarHBondContact CG-O 3.48Å; P142-Y167 VanDerWaalsContact CD-CD1 3.46Å; P142-Y167 HydrophobicContact CG-CD1 3.91Å; P142-Y167 HydrophobicContact CG-CD2 3.76Å; P142-Y167 HydrophobicContact CG-CE1 4.06Å; P142-Y167 HydrophobicContact CG-CE2 3.92Å; P142-Y167 HydrophobicContact CG-CG 3.73Å
143	S	98.4	Very high	97	Very high	7 Å²	7	26.4 Å²	26.4	5%	0.049	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.5	-170.4	-175.7	0	0	0	0	111.5	W97 C135 G136 N141 E158	W97-S143 WeakPolarHBondContact CH2-O 3.28Å; C135-S143 CarbonylContact C-O 3.49Å; C135-S143 WeakPolarHBondContact CA-O 3.4Å; C135-S143 VanDerWaalsContact CB-O 3.24Å; C135-S143 WeakPolarHBondContact CB-O 3.04Å; G136-S143 PolarHBondContact N-O 3.03Å; G136-S143 PolarHBondContact O-N 2.89Å; G136-S143 VanDerWaalsContact O-N 3.09Å; N141-S143 PolarHBondContact O-N 3.34Å; S143-E158 WeakPolarHBondContact CB-OE1 3.29Å; S143-E158 VanDerWaalsContact OG-CD 3.23Å; S143-E158 WeakPolarHBondContact OG-CG 3.46Å; S143-E158 PolarHBondContact OG-OE1 2.87Å
144	C	98.4	Very high	96.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.8	-179.3	-63.9	0	0	0	0	111.7	F133 V134 C135 F159	F133-C144 HydrophobicContact CE2-CB 4.08Å; F133-C144 HydrophobicContact CZ-CB 3.74Å; V134-C144 CarbonylContact O-C 3.55Å; V134-C144 VanDerWaalsContact O-CA 3.25Å; V134-C144 WeakPolarHBondContact O-CA 3.35Å; C135-C144 HydrophobicContact CB-CB 4.03Å; C135-C144 WeakPolarHBondContact CB-SG 3.29Å; C135-C144 WeakPolarHBondContact SG-CB 3.37Å; C135-C144 CovalentContact SG-SG 2.04Å; C135-C144 PolarHBondContact SG-SG 2.92Å; C144-F159 HydrophobicContact CB-CB 4.46Å; C144-F159 PolarHBondContact N-O 2.86Å; C144-F159 PolarHBondContact O-N 3.37Å
145	R	97.8	Very high	96.8	Very high	53 Å²	53	33.6 Å²	33.6	20%	0.2	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.3	178.1	-68.8	176.3	176.4	-175.9	-3.4	110.7	W97 V134 Y147 E158	W97-R145 HydrophobicContact CH2-CB 4.26Å; W97-R145 HydrophobicContact CH2-CG 3.82Å; W97-R145 HydrophobicContact CZ2-CG 3.95Å; W97-R145 HydrophobicContact CZ3-CB 4.33Å; W97-R145 HydrophobicContact CZ3-CG 4.28Å; W97-R145 VanDerWaalsContact NE1-CZ 3.35Å; V134-R145 PolarHBondContact N-O 2.92Å; V134-R145 PolarHBondContact O-N 2.88Å; R145-Y147 HydrophobicContact CB-CD2 4.13Å; R145-Y147 HydrophobicContact CB-CE2 3.65Å; R145-Y147 PolarHBondContact NH1-OH 2.88Å; R145-E158 HydrophobicContact CG-CB 4.22Å; R145-E158 HydrophobicContact CG-CG 3.97Å; R145-E158 IonicContact CZ-OE2 2.69Å; R145-E158 IonicContact NE-OE1 2.79Å; R145-E158 IonicContact NE-OE2 3.76Å; R145-E158 PolarHBondContact NE-OE2 2.68Å; R145-E158 IonicContact NH2-OE1 2.76Å; R145-E158 IonicContact NH2-OE2 2.82Å; R145-E158 PolarHBondContact NH2-OE2 3.16Å
146	N	97.4	Very high	96.6	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.048	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	146.1	162	-41.6	-87.2	0	0	0	109	K127 L132 P154 F155	K127-N146 PolarHBondContact NZ-OD1 3.43Å; L132-N146 CarbonylContact O-C 3.53Å; L132-N146 WeakPolarHBondContact O-CA 3.29Å; N146-P154 WeakPolarHBondContact O-CA 3.48Å; N146-F155 HydrophobicContact CB-CD1 4.06Å; N146-F155 HydrophobicContact CB-CD2 4.46Å; N146-F155 HydrophobicContact CB-CE1 3.63Å; N146-F155 HydrophobicContact CB-CE2 4.06Å; N146-F155 HydrophobicContact CB-CG 4.46Å; N146-F155 HydrophobicContact CB-CZ 3.63Å; N146-F155 PolarHBondContact O-N 3.46Å
147	Y	97.4	Very high	96.2	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.6	174.9	-76.7	-93.5	0	0	0	109.2	L95 W97 A131 L132 V134 R145 L152 E153 P154	L95-Y147 HydrophobicContact CD1-CD1 3.33Å; L95-Y147 HydrophobicContact CD1-CD2 4.04Å; L95-Y147 HydrophobicContact CD1-CE1 3.52Å; L95-Y147 HydrophobicContact CD1-CE2 4.19Å; L95-Y147 HydrophobicContact CD1-CG 3.61Å; L95-Y147 HydrophobicContact CD2-CE1 4.08Å; L95-Y147 HydrophobicContact CG-CD1 4.01Å; L95-Y147 HydrophobicContact CG-CE1 3.74Å; W97-Y147 WeakPolarHBondContact CB-OH 3.41Å; W97-Y147 AromaticContact CE3-CE2 3.98Å; W97-Y147 HydrophobicContact CE3-CE2 3.98Å; W97-Y147 HydrophobicContact CZ3-CE2 4.27Å; A131-Y147 WeakPolarHBondContact CA-O 3.23Å; L132-Y147 PolarHBondContact N-O 3.16Å; L132-Y147 PolarHBondContact O-N 2.95Å; V134-Y147 HydrophobicContact CB-CD2 3.8Å; V134-Y147 HydrophobicContact CB-CE2 3.99Å; V134-Y147 HydrophobicContact CG1-CE2 4.45Å; V134-Y147 HydrophobicContact CG2-CD2 3.55Å; V134-Y147 HydrophobicContact CG2-CE2 4.18Å; V134-Y147 HydrophobicContact CG2-CG 4.33Å; R145-Y147 HydrophobicContact CB-CD2 4.13Å; R145-Y147 HydrophobicContact CB-CE2 3.65Å; R145-Y147 PolarHBondContact NH1-OH 2.88Å; Y147-L152 VanDerWaalsContact CD1-O 3.31Å; Y147-L152 WeakPolarHBondContact CD1-O 3.25Å; Y147-E153 CarbonylContact C-O 3.57Å; Y147-E153 VanDerWaalsContact CA-O 3.26Å; Y147-E153 WeakPolarHBondContact CA-O 3.23Å; Y147-E153 VanDerWaalsContact CD1-C 3.41Å; Y147-P154 HydrophobicContact CD1-CB 3.98Å; Y147-P154 VanDerWaalsContact CD1-N 3.33Å; Y147-P154 HydrophobicContact CE1-CB 3.62Å; Y147-P154 HydrophobicContact CE1-CG 4.09Å
148	K	96	Very high	95.9	Very high	88 Å²	88	45.5 Å²	45.5	38%	0.383	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	140.6	172.4	-55.1	-178.9	179.5	171.1	0	110	D130 D150 L152 E153 F155	D130-K148 CarbonylContact O-C 3.27Å; D130-K148 WeakPolarHBondContact O-CA 3.46Å; K148-D150 VanDerWaalsContact C-N 3.32Å; K148-D150 WeakPolarHBondContact CB-OD1 3.31Å; K148-D150 PolarHBondContact O-N 2.84Å; K148-L152 VanDerWaalsContact O-CA 3.24Å; K148-L152 WeakPolarHBondContact O-CA 3.26Å; K148-L152 PolarHBondContact O-N 3.46Å; K148-L152 VanDerWaalsContact O-N 3.07Å; K148-E153 PolarHBondContact N-O 2.81Å; K148-F155 HydrophobicContact CG-CD1 3.8Å; K148-F155 HydrophobicContact CG-CE1 4.28Å
149	M	92.9	Very high	95.7	Very high	21 Å²	21	49.2 Å²	49.2	10%	0.103	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-24.9	-176.9	-167.5	167.9	177.9	0	0	112.6	M64 N65 Y69 D130 L132	M64-M149 HydrophobicContact CB-CE 3.62Å; M64-M149 HydrophobicContact SD-CE 4.06Å; N65-M149 HydrophobicContact CB-CE 4.18Å; Y69-M149 HydrophobicContact CE2-CE 4.19Å; Y69-M149 WeakPolarHBondContact OH-CE 3.2Å; Y69-M149 WeakPolarHBondContact OH-CG 3.33Å; D130-M149 PolarHBondContact O-N 3.36Å; L132-M149 HydrophobicContact CD1-CG 4.39Å; L132-M149 HydrophobicContact CD2-CG 4.09Å; L132-M149 HydrophobicContact CD2-SD 4.16Å; L132-M149 HydrophobicContact CG-CB 4.18Å; L132-M149 HydrophobicContact CG-CG 4.14Å
150	D	89.6	Confident	95.6	Very high	96 Å²	96	52.5 Å²	52.5	51%	0.513	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-53.6	-178.5	67.8	-31.9	0	0	0	113.4	K93 K148	K93-D150 PolarHBondContact NZ-O 3.04Å; K148-D150 VanDerWaalsContact C-N 3.32Å; K148-D150 WeakPolarHBondContact CB-OD1 3.31Å; K148-D150 PolarHBondContact O-N 2.84Å
151	T	93.6	Very high	95.6	Very high	62 Å²	62	52.3 Å²	52.3	38%	0.38	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-19.6	-177.7	68.1	0	0	0	0	113.6	E153	T151-E153 VanDerWaalsContact CB-OE2 3.27Å; T151-E153 WeakPolarHBondContact CB-OE2 3.45Å; T151-E153 PolarHBondContact O-N 2.89Å; T151-E153 WeakPolarHBondContact OG1-CB 3.3Å; T151-E153 VanDerWaalsContact OG1-CG 3.25Å; T151-E153 WeakPolarHBondContact OG1-CG 3.46Å; T151-E153 PolarHBondContact OG1-N 3.4Å; T151-E153 PolarHBondContact OG1-OE2 2.87Å
152	L	95.7	Very high	95.6	Very high	11 Å²	11	52.9 Å²	52.9	6%	0.058	29%	0.287	C	S	.	.			trans	60.1	26.5	-168.5	-49.9	-178	0	0	0	114	Y69 T78 K93 L95 L132 Y147 K148	Y69-L152 HydrophobicContact CE1-CD2 4.14Å; T78-L152 HydrophobicContact CG2-CD1 3.83Å; K93-L152 HydrophobicContact CB-CD1 3.61Å; K93-L152 HydrophobicContact CB-CG 4.41Å; L95-L152 HydrophobicContact CB-CB 4.15Å; L95-L152 HydrophobicContact CB-CD1 4.36Å; L95-L152 HydrophobicContact CD1-CB 4.29Å; L132-L152 HydrophobicContact CD1-CD2 3.84Å; Y147-L152 VanDerWaalsContact CD1-O 3.31Å; Y147-L152 WeakPolarHBondContact CD1-O 3.25Å; K148-L152 VanDerWaalsContact O-CA 3.24Å; K148-L152 WeakPolarHBondContact O-CA 3.26Å; K148-L152 PolarHBondContact O-N 3.46Å; K148-L152 VanDerWaalsContact O-N 3.07Å
153	E	96	Very high	95.6	Very high	103 Å²	103	53 Å²	53	48%	0.481	29%	0.288	S	S	.	.			trans	-88.6	144.9	172.9	-64.7	168.1	134.1	0	0	111.7	Y147 K148 T151	Y147-E153 CarbonylContact C-O 3.57Å; Y147-E153 VanDerWaalsContact CA-O 3.26Å; Y147-E153 WeakPolarHBondContact CA-O 3.23Å; Y147-E153 VanDerWaalsContact CD1-C 3.41Å; K148-E153 PolarHBondContact N-O 2.81Å; T151-E153 VanDerWaalsContact CB-OE2 3.27Å; T151-E153 WeakPolarHBondContact CB-OE2 3.45Å; T151-E153 PolarHBondContact O-N 2.89Å; T151-E153 WeakPolarHBondContact OG1-CB 3.3Å; T151-E153 VanDerWaalsContact OG1-CG 3.25Å; T151-E153 WeakPolarHBondContact OG1-CG 3.46Å; T151-E153 PolarHBondContact OG1-N 3.4Å; T151-E153 PolarHBondContact OG1-OE2 2.87Å
154	P	96.3	Very high	95.6	Very high	73 Å²	73	54.1 Å²	54.1	47%	0.474	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	146.7	177.8	30.4	-33.4	0	0	0	111.3	N146 Y147	N146-P154 WeakPolarHBondContact O-CA 3.48Å; Y147-P154 HydrophobicContact CD1-CB 3.98Å; Y147-P154 VanDerWaalsContact CD1-N 3.33Å; Y147-P154 HydrophobicContact CE1-CB 3.62Å; Y147-P154 HydrophobicContact CE1-CG 4.09Å
155	F	96	Very high	95.6	Very high	82 Å²	82	54.1 Å²	54.1	36%	0.36	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	150.1	172.4	77.1	-88.5	0	0	0	113.2	A131 N146 K148	A131-F155 HydrophobicContact CB-CE1 3.73Å; A131-F155 HydrophobicContact CB-CZ 3.61Å; N146-F155 HydrophobicContact CB-CD1 4.06Å; N146-F155 HydrophobicContact CB-CD2 4.46Å; N146-F155 HydrophobicContact CB-CE1 3.63Å; N146-F155 HydrophobicContact CB-CE2 4.06Å; N146-F155 HydrophobicContact CB-CG 4.46Å; N146-F155 HydrophobicContact CB-CZ 3.63Å; N146-F155 PolarHBondContact O-N 3.46Å; K148-F155 HydrophobicContact CG-CD1 3.8Å; K148-F155 HydrophobicContact CG-CE1 4.28Å
156	G	93.6	Very high	95.6	Very high	64 Å²	64	51.6 Å²	51.6	66%	0.66	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	68	-174.2	-167.6	0	0	0	0	0	112.4
157	D	91.3	Very high	95.6	Very high	127 Å²	127	52.3 Å²	52.3	68%	0.679	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	166	-176	-63.3	-62.1	0	0	0	114.3	F159	D157-F159 HydrophobicContact CB-CZ 4.39Å; D157-F159 VanDerWaalsContact O-CD2 3.29Å; D157-F159 WeakPolarHBondContact O-CD2 3.47Å; D157-F159 WeakPolarHBondContact O-CE2 3.45Å
158	E	92.8	Very high	95.7	Very high	59 Å²	59	52.8 Å²	52.8	28%	0.276	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.4	171.6	-175.2	171.8	171.3	0	0	109.9	R100 S143 R145	R100-E158 IonicContact CZ-OE2 3.92Å; R100-E158 IonicContact NH2-OE1 3.34Å; R100-E158 IonicContact NH2-OE2 2.7Å; R100-E158 PolarHBondContact NH2-OE2 3.39Å; S143-E158 WeakPolarHBondContact CB-OE1 3.29Å; S143-E158 VanDerWaalsContact OG-CD 3.23Å; S143-E158 WeakPolarHBondContact OG-CG 3.46Å; S143-E158 PolarHBondContact OG-OE1 2.87Å; R145-E158 HydrophobicContact CG-CB 4.22Å; R145-E158 HydrophobicContact CG-CG 3.97Å; R145-E158 IonicContact CZ-OE2 2.69Å; R145-E158 IonicContact NE-OE1 2.79Å; R145-E158 IonicContact NE-OE2 3.76Å; R145-E158 PolarHBondContact NE-OE2 2.68Å; R145-E158 IonicContact NH2-OE1 2.76Å; R145-E158 IonicContact NH2-OE2 2.82Å; R145-E158 PolarHBondContact NH2-OE2 3.16Å
159	F	93.2	Very high	95.8	Very high	81 Å²	81	49.3 Å²	49.3	36%	0.355	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	149	-175.4	-53.9	-85.3	0	0	0	111.2	C144 D157 G161	C144-F159 HydrophobicContact CB-CB 4.46Å; C144-F159 PolarHBondContact N-O 2.86Å; C144-F159 PolarHBondContact O-N 3.37Å; D157-F159 HydrophobicContact CB-CZ 4.39Å; D157-F159 VanDerWaalsContact O-CD2 3.29Å; D157-F159 WeakPolarHBondContact O-CD2 3.47Å; D157-F159 WeakPolarHBondContact O-CE2 3.45Å; F159-G161 PolarHBondContact O-N 3.1Å
160	S	97	Very high	96	Very high	72 Å²	72	55.4 Å²	55.4	50%	0.503	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	132.6	173.5	-174.9	0	0	0	0	111.8	M162 R164	S160-M162 WeakPolarHBondContact OG-CB 3.2Å; S160-M162 PolarHBondContact OG-N 3.02Å; S160-R164 PolarHBondContact O-NH1 3.36Å
161	G	97.6	Very high	96.3	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.			trans	-89.6	2.2	172.3	0	0	0	0	0	113.9	P142 F159 A163 R164 C165	P142-G161 VanDerWaalsContact O-CA 3.27Å; P142-G161 WeakPolarHBondContact O-CA 3.26Å; P142-G161 PolarHBondContact O-N 2.7Å; F159-G161 PolarHBondContact O-N 3.1Å; G161-A163 PolarHBondContact O-N 3.22Å; G161-R164 WeakPolarHBondContact O-CA 3.43Å; G161-R164 WeakPolarHBondContact O-CB 3.49Å; G161-R164 PolarHBondContact O-N 3.45Å; G161-C165 PolarHBondContact O-N 2.88Å
162	M	98.2	Very high	96.5	Very high	95 Å²	95	52.3 Å²	52.3	47%	0.468	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	133.6	174.3	-174.7	-177.1	-70.9	0	0	110.7	S160 R164 T188	S160-M162 WeakPolarHBondContact OG-CB 3.2Å; S160-M162 PolarHBondContact OG-N 3.02Å; M162-R164 PolarHBondContact O-N 2.78Å; M162-T188 WeakPolarHBondContact CG-O 3.43Å
163	A	97.7	Very high	96.6	Very high	6 Å²	6	53.2 Å²	53.2	5%	0.05	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	0.9	-174	0	0	0	0	0	116.2	G161 S184 T186 T188 V196 Y198	G161-A163 PolarHBondContact O-N 3.22Å; A163-S184 PolarHBondContact O-OG 3.13Å; A163-T186 VanDerWaalsContact C-CG2 3.45Å; A163-T188 HydrophobicContact CB-CG2 3.87Å; A163-V196 HydrophobicContact CB-CG1 3.95Å; A163-Y198 HydrophobicContact CB-CD1 3.48Å; A163-Y198 VanDerWaalsContact CB-CD1 3.48Å; A163-Y198 HydrophobicContact CB-CD2 4.33Å; A163-Y198 HydrophobicContact CB-CE1 3.83Å; A163-Y198 HydrophobicContact CB-CG 3.76Å
164	R	98.5	Very high	96.7	Very high	31 Å²	31	48.7 Å²	48.7	12%	0.117	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-35.2	179	-61.7	170.7	174.7	152.4	-6.5	112.6	S160 G161 M162 L182 S200	S160-R164 PolarHBondContact O-NH1 3.36Å; G161-R164 WeakPolarHBondContact O-CA 3.43Å; G161-R164 WeakPolarHBondContact O-CB 3.49Å; G161-R164 PolarHBondContact O-N 3.45Å; M162-R164 PolarHBondContact O-N 2.78Å; R164-L182 HydrophobicContact CB-CD2 4.25Å; R164-L182 HydrophobicContact CG-CD2 3.84Å; R164-S200 PolarHBondContact NE-OG 2.83Å; R164-S200 PolarHBondContact NH2-OG 3.36Å
165	C	98.4	Very high	96.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-137	140.3	-175.5	-179.4	0	0	0	0	109.5	V123 C135 G136 P142 G161	V123-C165 HydrophobicContact CG2-CB 4.42Å; C135-C165 HydrophobicContact CB-CB 3.61Å; G136-C165 PolarHBondContact O-SG 3.05Å; P142-C165 HydrophobicContact CB-CB 4.11Å; G161-C165 PolarHBondContact O-N 2.88Å
166	P	98.4	Very high	96.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.			trans	-69.5	157.3	179.3	28.4	-35.3	0	0	0	112.3	K122 T137 P142 H171 N173 T186	K122-P166 HydrophobicContact CB-CG 4.04Å; K122-P166 HydrophobicContact CG-CG 4.02Å; T137-P166 WeakPolarHBondContact CG2-O 3.5Å; P142-P166 WeakPolarHBondContact CG-O 3.48Å; P166-H171 HydrophobicContact CB-CB 4.02Å; P166-N173 HydrophobicContact CG-CB 4.08Å; P166-N173 WeakPolarHBondContact CG-OD1 3.32Å; P166-T186 WeakPolarHBondContact CA-OG1 3.28Å; P166-T186 WeakPolarHBondContact CB-OG1 3.29Å
167	Y	98.4	Very high	97.1	Very high	24 Å²	24	42.9 Å²	42.9	9%	0.094	22%	0.223	C	C	.	.	S	Bend	trans	-74.2	-40.1	170.3	-76	-101.5	0	0	0	112.5	F140 P142 V187 T188 F190	F140-Y167 HydrophobicContact CB-CD1 4.28Å; F140-Y167 WeakPolarHBondContact CD1-O 3.25Å; F140-Y167 WeakPolarHBondContact CG-O 3.43Å; F140-Y167 VanDerWaalsContact O-CD1 3.26Å; F140-Y167 WeakPolarHBondContact O-CD1 3.04Å; F140-Y167 WeakPolarHBondContact O-CE1 3.41Å; P142-Y167 VanDerWaalsContact CD-CD1 3.46Å; P142-Y167 HydrophobicContact CG-CD1 3.91Å; P142-Y167 HydrophobicContact CG-CD2 3.76Å; P142-Y167 HydrophobicContact CG-CE1 4.06Å; P142-Y167 HydrophobicContact CG-CE2 3.92Å; P142-Y167 HydrophobicContact CG-CG 3.73Å; Y167-V187 HydrophobicContact CD2-CG2 4.35Å; Y167-T188 PolarHBondContact OH-O 2.79Å; Y167-F190 HydrophobicContact CD1-CB 4.22Å; Y167-F190 HydrophobicContact CD1-CD2 4.27Å; Y167-F190 HydrophobicContact CE1-CB 4.32Å
168	D	98.3	Very high	97.4	Very high	13 Å²	13	37.2 Å²	37.2	7%	0.07	19%	0.193	C	C	.	.	S	Bend	trans	-103.5	132.9	-178.2	-159.8	-57.3	0	0	0	110.7	K112 F140 K170 H171	K112-D168 IonicContact NZ-OD2 2.75Å; K112-D168 PolarHBondContact NZ-OD2 2.94Å; F140-D168 HydrophobicContact CE1-CB 3.68Å; F140-D168 WeakPolarHBondContact CE1-OD2 3.4Å; F140-D168 HydrophobicContact CZ-CB 3.87Å; F140-D168 VanDerWaalsContact CZ-OD2 3.25Å; F140-D168 WeakPolarHBondContact CZ-OD2 3.29Å; D168-K170 PolarHBondContact O-N 3.46Å; D168-K170 VanDerWaalsContact OD1-CB 3.3Å; D168-K170 WeakPolarHBondContact OD1-CB 3.24Å; D168-K170 WeakPolarHBondContact OD1-CG 3.3Å; D168-K170 PolarHBondContact OD1-N 2.96Å; D168-H171 PolarHBondContact O-N 2.62Å
169	A	97.8	Very high	97.5	Very high	16 Å²	16	39.3 Å²	39.3	13%	0.132	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.3	179.2	0	0	0	0	0	112.9	Q59 F120 K122 T137 H171	Q59-A169 PolarHBondContact OE1-O 2.87Å; F120-A169 HydrophobicContact CB-CB 3.67Å; F120-A169 HydrophobicContact CD1-CB 3.88Å; F120-A169 HydrophobicContact CD2-CB 3.59Å; F120-A169 HydrophobicContact CE1-CB 4.39Å; F120-A169 HydrophobicContact CE2-CB 4.14Å; F120-A169 HydrophobicContact CG-CB 3.43Å; F120-A169 VanDerWaalsContact CG-CB 3.43Å; K122-A169 PolarHBondContact NZ-O 3.32Å; T137-A169 HydrophobicContact CG2-CB 4.29Å; A169-H171 VanDerWaalsContact C-N 3.29Å; A169-H171 PolarHBondContact O-N 3.09Å
170	K	96.7	Very high	97.5	Very high	148 Å²	148	37.9 Å²	37.9	64%	0.643	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-17.9	179.8	-61.3	162.3	-177.2	169.4	0	112.6	E116 D168	E116-K170 IonicContact OE1-NZ 3.05Å; E116-K170 PolarHBondContact OE1-NZ 2.85Å; D168-K170 PolarHBondContact O-N 3.46Å; D168-K170 VanDerWaalsContact OD1-CB 3.3Å; D168-K170 WeakPolarHBondContact OD1-CB 3.24Å; D168-K170 WeakPolarHBondContact OD1-CG 3.3Å; D168-K170 PolarHBondContact OD1-N 2.96Å
171	H	97.6	Very high	97.5	Very high	66 Å²	66	35.7 Å²	35.7	31%	0.306	20%	0.196	S	C	.	.	S	Bend	trans	-73.2	144.9	177.6	-66.2	173.2	0	0	0	111.3	K122 P166 D168 A169	K122-H171 WeakPolarHBondContact CE-O 3.32Å; K122-H171 PolarHBondContact NZ-O 2.92Å; P166-H171 HydrophobicContact CB-CB 4.02Å; D168-H171 PolarHBondContact O-N 2.62Å; A169-H171 VanDerWaalsContact C-N 3.29Å; A169-H171 PolarHBondContact O-N 3.09Å
172	A	96.9	Very high	97.6	Very high	27 Å²	27	35.7 Å²	35.7	22%	0.223	20%	0.196	C	C	.	.			trans	-80.9	150	164.1	0	0	0	0	0	109.9	Y221 F222	A172-Y221 HydrophobicContact CB-CD1 4.11Å; A172-Y221 HydrophobicContact CB-CE1 3.49Å; A172-Y221 VanDerWaalsContact CB-CE1 3.49Å; A172-Y221 HydrophobicContact CB-CE2 3.99Å; A172-Y221 VanDerWaalsContact CB-CZ 3.43Å; A172-F222 VanDerWaalsContact CB-O 3.27Å; A172-F222 WeakPolarHBondContact CB-O 3.45Å
173	N	98.3	Very high	97.6	Very high	31 Å²	31	31.2 Å²	31.2	17%	0.166	17%	0.174	C	C	.	.			trans	-148.5	155.1	177.6	61.4	-83.8	0	0	0	108.7	K122 P166 A185	K122-N173 WeakPolarHBondContact CE-OD1 3.33Å; K122-N173 PolarHBondContact O-ND2 2.83Å; P166-N173 HydrophobicContact CG-CB 4.08Å; P166-N173 WeakPolarHBondContact CG-OD1 3.32Å; N173-A185 VanDerWaalsContact CA-O 3.3Å; N173-A185 WeakPolarHBondContact CA-O 3.19Å
174	V	98.4	Very high	97.7	Very high	7 Å²	7	30.9 Å²	30.9	4%	0.042	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.9	172.2	174.3	0	0	0	0	108	S184 A185 F222 A225 F234	V174-S184 CarbonylContact O-C 3.52Å; V174-S184 VanDerWaalsContact O-CA 3.22Å; V174-S184 WeakPolarHBondContact O-CA 3.22Å; V174-A185 HydrophobicContact CB-CB 4.1Å; V174-A185 PolarHBondContact N-O 2.81Å; V174-A185 PolarHBondContact O-N 2.76Å; V174-F222 HydrophobicContact CG2-CB 3.86Å; V174-A225 HydrophobicContact CG1-CB 3.48Å; V174-A225 VanDerWaalsContact CG1-CB 3.48Å; V174-F234 HydrophobicContact CG1-CE1 4.49Å
175	A	98.3	Very high	97.7	Very high	24 Å²	24	29.4 Å²	29.4	20%	0.198	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	132.3	172.5	0	0	0	0	0	108.7	V123 L125 L182 Y183	V123-A175 HydrophobicContact CB-CB 4.31Å; V123-A175 HydrophobicContact CG1-CB 3.63Å; V123-A175 HydrophobicContact CG2-CB 3.74Å; L125-A175 HydrophobicContact CD1-CB 4.04Å; A175-L182 HydrophobicContact CB-CD1 4.41Å; A175-Y183 CarbonylContact C-O 3.58Å; A175-Y183 WeakPolarHBondContact CA-O 3.38Å
176	L	97.9	Very high	97.7	Very high	37 Å²	37	29.6 Å²	29.6	19%	0.194	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	139.9	-174.7	177.4	64.3	0	0	0	109.4	Y183 A225 D227 I232	L176-Y183 PolarHBondContact N-O 2.71Å; L176-Y183 PolarHBondContact O-N 2.84Å; L176-A225 HydrophobicContact CD2-CB 4.38Å; L176-D227 HydrophobicContact CD2-CB 4.43Å; L176-I232 HydrophobicContact CD2-CD1 4.46Å; L176-I232 HydrophobicContact CD2-CG2 4.11Å
177	F	97.5	Very high	97.7	Very high	37 Å²	37	30.2 Å²	30.2	16%	0.162	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.2	166.9	-87.6	-74.7	0	0	0	110.5	L125 K127 F133 K181 L182 L201	L125-F177 HydrophobicContact CB-CD2 3.9Å; L125-F177 HydrophobicContact CB-CE2 4.19Å; L125-F177 HydrophobicContact CD1-CD2 3.61Å; L125-F177 HydrophobicContact CD1-CE2 3.91Å; L125-F177 HydrophobicContact CG-CD2 4.38Å; K127-F177 HydrophobicContact CG-CZ 4.39Å; F133-F177 HydrophobicContact CB-CE2 3.68Å; F133-F177 HydrophobicContact CB-CZ 4.21Å; F133-F177 AromaticContact CD1-CE2 3.68Å; F133-F177 HydrophobicContact CD1-CE2 3.68Å; F133-F177 HydrophobicContact CD1-CZ 4.03Å; F133-F177 HydrophobicContact CD2-CZ 4.29Å; F133-F177 HydrophobicContact CE1-CE2 4.44Å; F133-F177 HydrophobicContact CE1-CZ 4.47Å; F133-F177 AromaticContact CG-CE2 3.71Å; F133-F177 HydrophobicContact CG-CE2 3.71Å; F133-F177 AromaticContact CG-CZ 3.92Å; F133-F177 HydrophobicContact CG-CZ 3.92Å; F177-K181 WeakPolarHBondContact CA-O 3.33Å; F177-K181 WeakPolarHBondContact CD1-O 3.31Å; F177-L182 HydrophobicContact CD1-CB 4.26Å; F177-L182 HydrophobicContact CD2-CD1 4.32Å; F177-L182 HydrophobicContact CE1-CB 3.75Å; F177-L182 HydrophobicContact CE2-CD1 4.03Å; F177-L182 HydrophobicContact CZ-CB 3.98Å; F177-L182 HydrophobicContact CZ-CD1 4.13Å; F177-L201 HydrophobicContact CE1-CD1 4.31Å; F177-L201 HydrophobicContact CZ-CD1 4.11Å
178	A	96.8	Very high	97.6	Very high	7 Å²	7	29.9 Å²	29.9	6%	0.058	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	135.2	167.8	0	0	0	0	0	108.7	G180 K181 Y183 D227 I232	A178-G180 PolarHBondContact O-N 3.16Å; A178-G180 VanDerWaalsContact O-N 3.13Å; A178-K181 PolarHBondContact N-O 2.9Å; A178-K181 WeakPolarHBondContact O-CA 3.33Å; A178-K181 WeakPolarHBondContact O-CB 3.38Å; A178-K181 PolarHBondContact O-N 2.93Å; A178-Y183 HydrophobicContact CB-CD2 4.13Å; A178-Y183 HydrophobicContact CB-CE2 3.8Å; A178-D227 WeakPolarHBondContact CB-OD2 3.49Å; A178-I232 HydrophobicContact CB-CD1 3.67Å
179	D	94.8	Very high	97.5	Very high	103 Å²	103	30.9 Å²	30.9	55%	0.551	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	33.9	-177	-45.9	-37.3	0	0	0	114.3	K181	D179-K181 PolarHBondContact O-N 3.15Å
180	G	94.3	Very high	97.4	Very high	52 Å²	52	32.9 Å²	32.9	54%	0.536	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	-2.5	-174.7	0	0	0	0	0	115.4	A178 G202	A178-G180 PolarHBondContact O-N 3.16Å; A178-G180 VanDerWaalsContact O-N 3.13Å; G180-G202 PolarHBondContact O-N 2.87Å
181	K	97.6	Very high	97.3	Very high	25 Å²	25	31.9 Å²	31.9	11%	0.109	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	136.2	178.6	-43.7	175.9	-160.5	-174.3	0	109.3	F177 A178 D179 Y183 R199 S204 K259	F177-K181 WeakPolarHBondContact CA-O 3.33Å; F177-K181 WeakPolarHBondContact CD1-O 3.31Å; A178-K181 PolarHBondContact N-O 2.9Å; A178-K181 WeakPolarHBondContact O-CA 3.33Å; A178-K181 WeakPolarHBondContact O-CB 3.38Å; A178-K181 PolarHBondContact O-N 2.93Å; D179-K181 PolarHBondContact O-N 3.15Å; K181-Y183 HydrophobicContact CB-CD2 4.49Å; K181-Y183 HydrophobicContact CB-CE2 3.85Å; K181-R199 HydrophobicContact CB-CG 4.08Å; K181-S204 VanDerWaalsContact CE-OG 3.23Å; K181-S204 WeakPolarHBondContact CE-OG 3.44Å; K181-S204 PolarHBondContact NZ-OG 3.2Å; K181-K259 PolarHBondContact NZ-O 2.97Å
182	L	98.3	Very high	97.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	114.7	173.9	176.3	68.3	0	0	0	109.5	L125 F133 R164 A175 F177 R199 S200 L201	L125-L182 HydrophobicContact CD1-CD1 3.8Å; F133-L182 HydrophobicContact CE1-CD1 4.25Å; F133-L182 HydrophobicContact CE1-CD2 3.54Å; F133-L182 HydrophobicContact CZ-CD2 3.73Å; R164-L182 HydrophobicContact CB-CD2 4.25Å; R164-L182 HydrophobicContact CG-CD2 3.84Å; A175-L182 HydrophobicContact CB-CD1 4.41Å; F177-L182 HydrophobicContact CD1-CB 4.26Å; F177-L182 HydrophobicContact CD2-CD1 4.32Å; F177-L182 HydrophobicContact CE1-CB 3.75Å; F177-L182 HydrophobicContact CE2-CD1 4.03Å; F177-L182 HydrophobicContact CZ-CB 3.98Å; F177-L182 HydrophobicContact CZ-CD1 4.13Å; L182-R199 CarbonylContact O-C 3.59Å; L182-R199 VanDerWaalsContact O-CA 3.28Å; L182-R199 WeakPolarHBondContact O-CA 3.31Å; L182-S200 WeakPolarHBondContact CA-O 3.24Å; L182-S200 WeakPolarHBondContact CB-O 3.48Å; L182-S200 PolarHBondContact N-O 3.37Å; L182-S200 PolarHBondContact O-N 2.87Å; L182-L201 HydrophobicContact CB-CB 4.35Å; L182-L201 HydrophobicContact CB-CD1 3.97Å; L182-L201 HydrophobicContact CB-CG 4.27Å; L182-L201 HydrophobicContact CD2-CD1 4.05Å
183	Y	98.8	Very high	97.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.5	168.8	-65.3	-95.9	0	0	0	108.6	A175 L176 A178 K181 Y198 R199 I232 F234 V257 K259 W273	A175-Y183 CarbonylContact C-O 3.58Å; A175-Y183 WeakPolarHBondContact CA-O 3.38Å; L176-Y183 PolarHBondContact N-O 2.71Å; L176-Y183 PolarHBondContact O-N 2.84Å; A178-Y183 HydrophobicContact CB-CD2 4.13Å; A178-Y183 HydrophobicContact CB-CE2 3.8Å; K181-Y183 HydrophobicContact CB-CD2 4.49Å; K181-Y183 HydrophobicContact CB-CE2 3.85Å; Y183-Y198 WeakPolarHBondContact CA-O 3.29Å; Y183-R199 HydrophobicContact CD1-CB 4.19Å; Y183-R199 HydrophobicContact CD1-CG 4.02Å; Y183-R199 HydrophobicContact CD2-CG 4.49Å; Y183-R199 HydrophobicContact CE1-CB 4.29Å; Y183-R199 VanDerWaalsContact CE1-CD 3.49Å; Y183-R199 HydrophobicContact CE1-CG 3.87Å; Y183-R199 HydrophobicContact CE2-CG 4.34Å; Y183-R199 HydrophobicContact CG-CG 4.32Å; Y183-R199 VanDerWaalsContact CZ-CD 3.46Å; Y183-R199 WeakPolarHBondContact OH-CD 3.36Å; Y183-I232 HydrophobicContact CD1-CB 4.27Å; Y183-I232 HydrophobicContact CD1-CG1 3.84Å; Y183-I232 HydrophobicContact CD1-CG2 4.39Å; Y183-I232 HydrophobicContact CD2-CG1 4.13Å; Y183-I232 HydrophobicContact CE1-CB 4.4Å; Y183-I232 HydrophobicContact CE1-CG1 3.67Å; Y183-I232 HydrophobicContact CE2-CD1 4.39Å; Y183-I232 HydrophobicContact CE2-CG1 4Å; Y183-I232 HydrophobicContact CG-CG1 4.07Å; Y183-I232 HydrophobicContact CG-CG2 4.45Å; Y183-F234 HydrophobicContact CD1-CZ 4.37Å; Y183-V257 HydrophobicContact CD1-CG2 4.44Å; Y183-V257 HydrophobicContact CE1-CG2 4.26Å; Y183-K259 WeakPolarHBondContact OH-CA 3.35Å; Y183-K259 PolarHBondContact OH-O 2.92Å; Y183-W273 HydrophobicContact CD1-CH2 4.01Å; Y183-W273 AromaticContact CE1-CH2 3.77Å; Y183-W273 HydrophobicContact CE1-CH2 3.77Å; Y183-W273 HydrophobicContact CE1-CZ3 4.43Å
184	S	98.8	Very high	97.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	149.9	-178	54.8	0	0	0	0	112.9	A163 V174 Y198	A163-S184 PolarHBondContact O-OG 3.13Å; V174-S184 CarbonylContact O-C 3.52Å; V174-S184 VanDerWaalsContact O-CA 3.22Å; V174-S184 WeakPolarHBondContact O-CA 3.22Å; S184-Y198 PolarHBondContact N-O 2.84Å; S184-Y198 PolarHBondContact O-N 3.47Å
185	A	98.9	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	117.6	174.9	0	0	0	0	0	110.7	N173 V174 V196 I197 F222 F234	N173-A185 VanDerWaalsContact CA-O 3.3Å; N173-A185 WeakPolarHBondContact CA-O 3.19Å; V174-A185 HydrophobicContact CB-CB 4.1Å; V174-A185 PolarHBondContact N-O 2.81Å; V174-A185 PolarHBondContact O-N 2.76Å; A185-V196 VanDerWaalsContact CA-O 3.31Å; A185-V196 WeakPolarHBondContact CA-O 3.36Å; A185-I197 HydrophobicContact CB-CG1 3.83Å; A185-F222 VanDerWaalsContact C-CD2 3.49Å; A185-F222 HydrophobicContact CB-CB 4.08Å; A185-F222 HydrophobicContact CB-CD1 3.54Å; A185-F222 HydrophobicContact CB-CD2 3.78Å; A185-F222 HydrophobicContact CB-CE1 3.83Å; A185-F222 HydrophobicContact CB-CE2 4.04Å; A185-F222 HydrophobicContact CB-CG 3.51Å; A185-F222 HydrophobicContact CB-CZ 4.06Å; A185-F234 HydrophobicContact CB-CD1 4.13Å; A185-F234 HydrophobicContact CB-CE1 4.13Å
186	T	98.6	Very high	97.2	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	-159.7	-175.1	-166.5	0	0	0	0	110	A163 P166 A195 V196	A163-T186 VanDerWaalsContact C-CG2 3.45Å; P166-T186 WeakPolarHBondContact CA-OG1 3.28Å; P166-T186 WeakPolarHBondContact CB-OG1 3.29Å; T186-A195 WeakPolarHBondContact O-CA 3.43Å; T186-V196 PolarHBondContact N-O 3.23Å; T186-V196 PolarHBondContact O-N 3.32Å
187	V	98.2	Very high	97.2	Very high	14 Å²	14	30.9 Å²	30.9	9%	0.085	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	147.6	174.8	-65.1	0	0	0	0	111.8	Y167 A192 D194 A195	Y167-V187 HydrophobicContact CD2-CG2 4.35Å; V187-A192 HydrophobicContact CB-CB 4.27Å; V187-A192 HydrophobicContact CG1-CB 4Å; V187-A192 HydrophobicContact CG2-CB 3.98Å; V187-D194 WeakPolarHBondContact CA-O 3.44Å; V187-A195 HydrophobicContact CG1-CB 4.07Å
188	T	97.6	Very high	97.3	Very high	16 Å²	16	31.2 Å²	31.2	10%	0.098	18%	0.181	C	C	.	.	S	Bend	trans	-92.5	-11.4	-180	76.9	0	0	0	0	114.4	M162 A163 Y167 D194 V196	M162-T188 WeakPolarHBondContact CG-O 3.43Å; A163-T188 HydrophobicContact CB-CG2 3.87Å; Y167-T188 PolarHBondContact OH-O 2.79Å; T188-D194 PolarHBondContact N-O 2.82Å; T188-D194 WeakPolarHBondContact OG1-CB 3.42Å; T188-D194 PolarHBondContact OG1-OD2 3Å; T188-V196 HydrophobicContact CG2-CB 4.08Å; T188-V196 HydrophobicContact CG2-CG1 3.52Å
189	D	95.4	Very high	97.4	Very high	35 Å²	35	30.9 Å²	30.9	19%	0.187	18%	0.178	C	C	.	.	S	Bend	trans	-130.7	156.9	-168.7	69.2	-66.7	0	0	0	113.3	L191 A192 I193 D194	D189-L191 PolarHBondContact O-N 2.59Å; D189-L191 WeakPolarHBondContact OD2-CA 3.43Å; D189-L191 WeakPolarHBondContact OD2-CB 3.18Å; D189-L191 PolarHBondContact OD2-N 2.7Å; D189-A192 PolarHBondContact O-N 3.24Å; D189-A192 PolarHBondContact OD2-N 2.81Å; D189-I193 PolarHBondContact OD1-N 3.12Å; D189-I193 PolarHBondContact OD2-N 2.9Å; D189-I193 VanDerWaalsContact OD2-N 3.08Å; D189-D194 PolarHBondContact OD1-N 3.19Å
190	F	95.1	Very high	97.5	Very high	58 Å²	58	26 Å²	26	25%	0.254	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-28.1	-179.7	179.3	-88.9	0	0	0	113.8	K110 K112 F140 Y167 A192	K110-F190 HydrophobicContact CB-CE1 4.15Å; K110-F190 HydrophobicContact CB-CE2 4.07Å; K110-F190 HydrophobicContact CB-CZ 3.53Å; K110-F190 HydrophobicContact CD-CD2 4.04Å; K110-F190 HydrophobicContact CD-CE1 4.46Å; K110-F190 HydrophobicContact CD-CE2 3.63Å; K110-F190 HydrophobicContact CD-CZ 3.88Å; K110-F190 HydrophobicContact CG-CE2 4.49Å; K110-F190 HydrophobicContact CG-CZ 4.28Å; K112-F190 HydrophobicContact CG-CE2 4.31Å; K112-F190 HydrophobicContact CG-CZ 3.91Å; F140-F190 HydrophobicContact CB-CD2 3.78Å; F140-F190 HydrophobicContact CB-CE2 3.56Å; F140-F190 HydrophobicContact CD1-CD2 4.02Å; F140-F190 AromaticContact CD1-CE2 3.74Å; F140-F190 HydrophobicContact CD1-CE2 3.74Å; F140-F190 HydrophobicContact CD1-CZ 4.49Å; F140-F190 HydrophobicContact CG-CD2 4.29Å; F140-F190 AromaticContact CG-CE2 3.86Å; F140-F190 HydrophobicContact CG-CE2 3.86Å; Y167-F190 HydrophobicContact CD1-CB 4.22Å; Y167-F190 HydrophobicContact CD1-CD2 4.27Å; Y167-F190 HydrophobicContact CE1-CB 4.32Å; F190-A192 VanDerWaalsContact C-N 3.3Å
191	L	96.2	Very high	97.5	Very high	127 Å²	127	25.9 Å²	25.9	67%	0.665	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-3.5	178	-58.6	175.5	0	0	0	112.7	D189 I193	D189-L191 PolarHBondContact O-N 2.59Å; D189-L191 WeakPolarHBondContact OD2-CA 3.43Å; D189-L191 WeakPolarHBondContact OD2-CB 3.18Å; D189-L191 PolarHBondContact OD2-N 2.7Å; L191-I193 VanDerWaalsContact C-N 3.29Å; L191-I193 HydrophobicContact CB-CD1 3.74Å; L191-I193 HydrophobicContact CB-CG1 3.89Å; L191-I193 HydrophobicContact CD1-CD1 4.02Å; L191-I193 PolarHBondContact O-N 3.09Å
192	A	95.3	Very high	97.1	Very high	36 Å²	36	26.8 Å²	26.8	30%	0.298	16%	0.155	S	C	.	.	S	Bend	trans	59.4	30.9	-179.7	0	0	0	0	0	115	V187 D189 F190	V187-A192 HydrophobicContact CB-CB 4.27Å; V187-A192 HydrophobicContact CG1-CB 4Å; V187-A192 HydrophobicContact CG2-CB 3.98Å; D189-A192 PolarHBondContact O-N 3.24Å; D189-A192 PolarHBondContact OD2-N 2.81Å; F190-A192 VanDerWaalsContact C-N 3.3Å
193	I	96.2	Very high	96.6	Very high	112 Å²	112	36.4 Å²	36.4	57%	0.574	20%	0.2	S	C	*	.			trans	-88.5	-38.4	-177.1	-60.7	171.9	0	0	0	111.9	D189 L191 A195	D189-I193 PolarHBondContact OD1-N 3.12Å; D189-I193 PolarHBondContact OD2-N 2.9Å; D189-I193 VanDerWaalsContact OD2-N 3.08Å; L191-I193 VanDerWaalsContact C-N 3.29Å; L191-I193 HydrophobicContact CB-CD1 3.74Å; L191-I193 HydrophobicContact CB-CG1 3.89Å; L191-I193 HydrophobicContact CD1-CD1 4.02Å; L191-I193 PolarHBondContact O-N 3.09Å; I193-A195 PolarHBondContact O-N 2.8Å
194	D	97.3	Very high	96.4	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.016	21%	0.208	C	C	.	.			trans	-92.8	74	-179.1	-172.2	30	0	0	0	110.6	V187 T188 D189 R208 K211	V187-D194 WeakPolarHBondContact CA-O 3.44Å; T188-D194 PolarHBondContact N-O 2.82Å; T188-D194 WeakPolarHBondContact OG1-CB 3.42Å; T188-D194 PolarHBondContact OG1-OD2 3Å; D189-D194 PolarHBondContact OD1-N 3.19Å; D194-R208 VanDerWaalsContact CG-NH2 3.3Å; D194-R208 IonicContact OD1-CZ 3.36Å; D194-R208 IonicContact OD1-NH1 3.37Å; D194-R208 IonicContact OD1-NH2 2.7Å; D194-R208 PolarHBondContact OD1-NH2 3.46Å; D194-R208 IonicContact OD2-CZ 3.85Å; D194-R208 IonicContact OD2-NH1 3.69Å; D194-R208 PolarHBondContact OD2-NH1 2.89Å; D194-R208 IonicContact OD2-NH2 3.15Å; D194-R208 PolarHBondContact OD2-NH2 3.44Å; D194-R208 VanDerWaalsContact OD2-NH2 3.11Å; D194-K211 VanDerWaalsContact CG-CE 3.49Å; D194-K211 VanDerWaalsContact CG-NZ 3.33Å; D194-K211 WeakPolarHBondContact OD1-CG 3.44Å; D194-K211 VanDerWaalsContact OD2-CD 3.25Å; D194-K211 WeakPolarHBondContact OD2-CD 3.34Å; D194-K211 WeakPolarHBondContact OD2-CE 3.37Å; D194-K211 IonicContact OD2-NZ 3.95Å; D194-K211 PolarHBondContact OD2-NZ 3.33Å
195	A	98.4	Very high	96.2	Very high	20 Å²	20	39.8 Å²	39.8	17%	0.165	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	134.9	169.5	0	0	0	0	0	111.1	T186 V187 I193 P220 F222	T186-A195 WeakPolarHBondContact O-CA 3.43Å; V187-A195 HydrophobicContact CG1-CB 4.07Å; I193-A195 PolarHBondContact O-N 2.8Å; A195-P220 HydrophobicContact CB-CG 3.54Å; A195-F222 HydrophobicContact CB-CE2 4.39Å; A195-F222 HydrophobicContact CB-CZ 4.41Å
196	V	98.8	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.3	-167.5	70.6	0	0	0	0	111.7	A163 A185 T186 T188 R208	A163-V196 HydrophobicContact CB-CG1 3.95Å; A185-V196 VanDerWaalsContact CA-O 3.31Å; A185-V196 WeakPolarHBondContact CA-O 3.36Å; T186-V196 PolarHBondContact N-O 3.23Å; T186-V196 PolarHBondContact O-N 3.32Å; T188-V196 HydrophobicContact CG2-CB 4.08Å; T188-V196 HydrophobicContact CG2-CG1 3.52Å; V196-R208 HydrophobicContact CG2-CB 3.73Å
197	I	98.9	Very high	96.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.2	156	-68.4	164.7	0	0	0	107.2	A185 R208 T209 L217 F222 F234 F236 W273 F276	A185-I197 HydrophobicContact CB-CG1 3.83Å; I197-R208 WeakPolarHBondContact O-CA 3.24Å; I197-T209 HydrophobicContact CB-CG2 3.77Å; I197-T209 PolarHBondContact N-OG1 2.82Å; I197-T209 PolarHBondContact O-N 3.26Å; I197-L217 HydrophobicContact CD1-CD2 4.23Å; I197-L217 HydrophobicContact CG1-CD1 4.4Å; I197-F222 HydrophobicContact CD1-CE1 4.07Å; I197-F222 HydrophobicContact CG1-CD1 4.41Å; I197-F222 HydrophobicContact CG1-CE1 3.73Å; I197-F222 HydrophobicContact CG1-CZ 4.28Å; I197-F234 HydrophobicContact CD1-CB 4.14Å; I197-F234 HydrophobicContact CD1-CD1 4.33Å; I197-F234 HydrophobicContact CD1-CG 4.12Å; I197-F234 HydrophobicContact CG1-CD1 4.26Å; I197-F234 HydrophobicContact CG2-CD1 4.06Å; I197-F234 HydrophobicContact CG2-CD2 3.96Å; I197-F234 HydrophobicContact CG2-CE1 3.7Å; I197-F234 HydrophobicContact CG2-CE2 3.58Å; I197-F234 HydrophobicContact CG2-CG 4.18Å; I197-F234 HydrophobicContact CG2-CZ 3.43Å; I197-F234 VanDerWaalsContact CG2-CZ 3.43Å; I197-F236 HydrophobicContact CD1-CE1 4.32Å; I197-W273 PolarHBondContact O-NE1 3.25Å; I197-F276 HydrophobicContact CD1-CE2 3.86Å
198	Y	98.8	Very high	96.2	Very high	44 Å²	44	44.8 Å²	44.8	17%	0.173	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.5	-162.1	-173.3	-123.9	0	0	0	111.6	A163 Y183 S184 L207 R208	A163-Y198 HydrophobicContact CB-CD1 3.48Å; A163-Y198 VanDerWaalsContact CB-CD1 3.48Å; A163-Y198 HydrophobicContact CB-CD2 4.33Å; A163-Y198 HydrophobicContact CB-CE1 3.83Å; A163-Y198 HydrophobicContact CB-CG 3.76Å; Y183-Y198 WeakPolarHBondContact CA-O 3.29Å; S184-Y198 PolarHBondContact N-O 2.84Å; S184-Y198 PolarHBondContact O-N 3.47Å; Y198-L207 CarbonylContact C-O 3.38Å; Y198-L207 WeakPolarHBondContact CA-O 3.42Å; Y198-L207 WeakPolarHBondContact CD2-O 3.17Å; Y198-R208 HydrophobicContact CD2-CB 3.93Å; Y198-R208 HydrophobicContact CE2-CB 4.49Å
199	R	98.6	Very high	96.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.8	166	-171.8	-168.2	72.6	-162.9	-4.3	110.5	K181 L182 Y183 P205 T206 L207 K259 D261 W273	K181-R199 HydrophobicContact CB-CG 4.08Å; L182-R199 CarbonylContact O-C 3.59Å; L182-R199 VanDerWaalsContact O-CA 3.28Å; L182-R199 WeakPolarHBondContact O-CA 3.31Å; Y183-R199 HydrophobicContact CD1-CB 4.19Å; Y183-R199 HydrophobicContact CD1-CG 4.02Å; Y183-R199 HydrophobicContact CD2-CG 4.49Å; Y183-R199 HydrophobicContact CE1-CB 4.29Å; Y183-R199 VanDerWaalsContact CE1-CD 3.49Å; Y183-R199 HydrophobicContact CE1-CG 3.87Å; Y183-R199 HydrophobicContact CE2-CG 4.34Å; Y183-R199 HydrophobicContact CG-CG 4.32Å; Y183-R199 VanDerWaalsContact CZ-CD 3.46Å; Y183-R199 WeakPolarHBondContact OH-CD 3.36Å; R199-P205 PolarHBondContact NH2-O 2.84Å; R199-T206 VanDerWaalsContact O-CA 3.25Å; R199-T206 WeakPolarHBondContact O-CA 3.48Å; R199-L207 PolarHBondContact N-O 3.28Å; R199-L207 PolarHBondContact O-N 2.89Å; R199-L207 VanDerWaalsContact O-N 3.12Å; R199-K259 PolarHBondContact NH1-O 3.24Å; R199-D261 PolarHBondContact NH1-O 2.86Å; R199-D261 PolarHBondContact NH2-O 2.76Å; R199-W273 HydrophobicContact CB-CH2 3.47Å; R199-W273 VanDerWaalsContact CB-CH2 3.47Å; R199-W273 HydrophobicContact CB-CZ2 3.67Å; R199-W273 HydrophobicContact CG-CH2 4.29Å
200	S	97.5	Very high	96.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	176.6	172.4	64.8	0	0	0	0	111.1	R164 L182	R164-S200 PolarHBondContact NE-OG 2.83Å; R164-S200 PolarHBondContact NH2-OG 3.36Å; L182-S200 WeakPolarHBondContact CA-O 3.24Å; L182-S200 WeakPolarHBondContact CB-O 3.48Å; L182-S200 PolarHBondContact N-O 3.37Å; L182-S200 PolarHBondContact O-N 2.87Å
201	L	94.1	Very high	96.5	Very high	50 Å²	50	45.2 Å²	45.2	26%	0.262	25%	0.248	S	C	.	.	S	Bend	trans	64.8	169.2	-172	-46.1	179.7	0	0	0	112.5	F133 F177 L182	F133-L201 HydrophobicContact CE2-CD1 3.85Å; F133-L201 HydrophobicContact CZ-CD1 3.97Å; F177-L201 HydrophobicContact CE1-CD1 4.31Å; F177-L201 HydrophobicContact CZ-CD1 4.11Å; L182-L201 HydrophobicContact CB-CB 4.35Å; L182-L201 HydrophobicContact CB-CD1 3.97Å; L182-L201 HydrophobicContact CB-CG 4.27Å; L182-L201 HydrophobicContact CD2-CD1 4.05Å
202	G	88.9	Confident	96.4	Very high	44 Å²	44	45.5 Å²	45.5	45%	0.454	25%	0.245	S	C	.	.	S	Bend	trans	70.4	174	-163	0	0	0	0	0	112.3	G180 S204	G180-G202 PolarHBondContact O-N 2.87Å; G202-S204 PolarHBondContact O-N 3.34Å
203	E	89.4	Confident	96.4	Very high	202 Å²	202	45.8 Å²	45.8	94%	0.944	24%	0.242	S	C	*	.	S	Bend	trans	-81	66.4	174.3	-62.9	-176.4	173.6	0	0	109.5
204	S	92.9	Very high	96.4	Very high	26 Å²	26	43.3 Å²	43.3	18%	0.182	23%	0.234	C	C	.	.	S	Bend	trans	-153.2	147.2	-175.6	-73.7	0	0	0	0	111.7	K181 G202	K181-S204 VanDerWaalsContact CE-OG 3.23Å; K181-S204 WeakPolarHBondContact CE-OG 3.44Å; K181-S204 PolarHBondContact NZ-OG 3.2Å; G202-S204 PolarHBondContact O-N 3.34Å
205	P	95.6	Very high	96.3	Very high	45 Å²	45	46.2 Å²	46.2	29%	0.292	25%	0.247	S	C	.	.			trans	-62.7	145.8	177.5	25.9	-33.2	0	0	0	111	R199 M262	R199-P205 PolarHBondContact NH2-O 2.84Å; P205-M262 HydrophobicContact CG-CB 4.32Å; P205-M262 HydrophobicContact CG-CE 3.99Å; P205-M262 WeakPolarHBondContact CG-O 3.21Å; P205-M262 HydrophobicContact CG-SD 4Å
206	T	97.8	Very high	96.3	Very high	68 Å²	68	45.3 Å²	45.3	42%	0.417	24%	0.239	S	C	.	.			trans	-72.6	127.6	173.5	53.6	0	0	0	0	109.7	R199	R199-T206 VanDerWaalsContact O-CA 3.25Å; R199-T206 WeakPolarHBondContact O-CA 3.48Å
207	L	98.7	Very high	96.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	141.3	-177.7	-62.9	-176.8	0	0	0	110.5	Y198 R199 D261 W273	Y198-L207 CarbonylContact C-O 3.38Å; Y198-L207 WeakPolarHBondContact CA-O 3.42Å; Y198-L207 WeakPolarHBondContact CD2-O 3.17Å; R199-L207 PolarHBondContact N-O 3.28Å; R199-L207 PolarHBondContact O-N 2.89Å; R199-L207 VanDerWaalsContact O-N 3.12Å; L207-D261 HydrophobicContact CD1-CB 3.84Å; L207-D261 WeakPolarHBondContact CD1-O 3.38Å; L207-W273 HydrophobicContact CB-CD2 3.9Å; L207-W273 HydrophobicContact CB-CE3 4.02Å; L207-W273 HydrophobicContact CB-CH2 4.33Å; L207-W273 HydrophobicContact CB-CZ2 4.19Å; L207-W273 HydrophobicContact CB-CZ3 4.24Å; L207-W273 HydrophobicContact CD1-CD2 4.29Å; L207-W273 HydrophobicContact CD1-CE3 3.63Å; L207-W273 HydrophobicContact CD1-CZ3 3.82Å
208	R	98.6	Very high	96.2	Very high	53 Å²	53	48.5 Å²	48.5	20%	0.2	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	158.5	176.4	64.9	167	-67.8	154.2	4.1	113.1	D194 V196 I197 Y198 K271 Q272 W273	D194-R208 VanDerWaalsContact CG-NH2 3.3Å; D194-R208 IonicContact OD1-CZ 3.36Å; D194-R208 IonicContact OD1-NH1 3.37Å; D194-R208 IonicContact OD1-NH2 2.7Å; D194-R208 PolarHBondContact OD1-NH2 3.46Å; D194-R208 IonicContact OD2-CZ 3.85Å; D194-R208 IonicContact OD2-NH1 3.69Å; D194-R208 PolarHBondContact OD2-NH1 2.89Å; D194-R208 IonicContact OD2-NH2 3.15Å; D194-R208 PolarHBondContact OD2-NH2 3.44Å; D194-R208 VanDerWaalsContact OD2-NH2 3.11Å; V196-R208 HydrophobicContact CG2-CB 3.73Å; I197-R208 WeakPolarHBondContact O-CA 3.24Å; Y198-R208 HydrophobicContact CD2-CB 3.93Å; Y198-R208 HydrophobicContact CE2-CB 4.49Å; R208-K271 PolarHBondContact N-O 3.22Å; R208-Q272 VanDerWaalsContact O-CA 3.28Å; R208-Q272 WeakPolarHBondContact O-CA 3.39Å; R208-W273 PolarHBondContact O-N 2.88Å
209	T	98.8	Very high	96.2	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-64.8	150.4	162.9	50.9	0	0	0	0	111.1	I197 K211 W216 L217 F276	I197-T209 HydrophobicContact CB-CG2 3.77Å; I197-T209 PolarHBondContact N-OG1 2.82Å; I197-T209 PolarHBondContact O-N 3.26Å; T209-K211 PolarHBondContact O-N 3.1Å; T209-W216 HydrophobicContact CG2-CE3 3.77Å; T209-W216 HydrophobicContact CG2-CZ3 4.1Å; T209-L217 HydrophobicContact CG2-CD1 4.17Å; T209-F276 HydrophobicContact CG2-CD2 4.26Å; T209-F276 HydrophobicContact CG2-CE2 4.21Å; T209-F276 HydrophobicContact CG2-CZ 4.41Å
210	V	98.4	Very high	96.2	Very high	21 Å²	21	53.9 Å²	53.9	13%	0.127	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-57.7	124.9	-179.7	-179.7	0	0	0	0	109.9	D213 W216 L269	V210-D213 HydrophobicContact CB-CB 4Å; V210-D213 HydrophobicContact CG1-CB 3.71Å; V210-W216 HydrophobicContact CB-CD2 3.97Å; V210-W216 HydrophobicContact CB-CE3 4.47Å; V210-W216 HydrophobicContact CB-CG 4.12Å; V210-W216 HydrophobicContact CB-CZ2 4.5Å; V210-W216 HydrophobicContact CG2-CD2 3.79Å; V210-W216 HydrophobicContact CG2-CE3 4.22Å; V210-W216 HydrophobicContact CG2-CG 4.37Å; V210-W216 HydrophobicContact CG2-CH2 3.91Å; V210-W216 HydrophobicContact CG2-CZ2 3.44Å; V210-W216 VanDerWaalsContact CG2-CZ2 3.44Å; V210-W216 HydrophobicContact CG2-CZ3 4.27Å; V210-L269 HydrophobicContact CG2-CD2 3.95Å
211	K	96.4	Very high	96.2	Very high	97 Å²	97	58.6 Å²	58.6	42%	0.422	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	131.8	-177.2	179	156.5	-172.6	144.3	0	110.9	D194 T209 D213	D194-K211 VanDerWaalsContact CG-CE 3.49Å; D194-K211 VanDerWaalsContact CG-NZ 3.33Å; D194-K211 WeakPolarHBondContact OD1-CG 3.44Å; D194-K211 VanDerWaalsContact OD2-CD 3.25Å; D194-K211 WeakPolarHBondContact OD2-CD 3.34Å; D194-K211 WeakPolarHBondContact OD2-CE 3.37Å; D194-K211 IonicContact OD2-NZ 3.95Å; D194-K211 PolarHBondContact OD2-NZ 3.33Å; T209-K211 PolarHBondContact O-N 3.1Å; K211-D213 PolarHBondContact O-N 2.87Å
212	H	94.6	Very high	96.5	Very high	132 Å²	132	56.6 Å²	56.6	61%	0.611	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	14.2	-179.7	-53.2	-48.1	0	0	0	116.4
213	D	96.4	Very high	96.9	Very high	43 Å²	43	55.6 Å²	55.6	23%	0.23	28%	0.275	C	S	.	.			trans	-88.9	108.1	172.6	-167.9	-27.3	0	0	0	111.4	V210 K211 K215 W216 L217	V210-D213 HydrophobicContact CB-CB 4Å; V210-D213 HydrophobicContact CG1-CB 3.71Å; K211-D213 PolarHBondContact O-N 2.87Å; D213-K215 VanDerWaalsContact C-N 3.26Å; D213-K215 PolarHBondContact O-N 3.11Å; D213-K215 VanDerWaalsContact OD1-CB 3.27Å; D213-K215 WeakPolarHBondContact OD1-CB 3.49Å; D213-K215 PolarHBondContact OD1-N 3.04Å; D213-W216 HydrophobicContact CB-CB 4.35Å; D213-W216 HydrophobicContact CB-CG 4.31Å; D213-W216 WeakPolarHBondContact O-CB 3.41Å; D213-W216 PolarHBondContact O-N 2.98Å; D213-L217 PolarHBondContact O-N 2.82Å
214	S	95.5	Very high	97.4	Very high	59 Å²	59	48.5 Å²	48.5	41%	0.413	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-15.5	179.8	71.6	0	0	0	0	114.7	W216 V241	S214-W216 VanDerWaalsContact C-N 3.29Å; S214-V241 WeakPolarHBondContact O-CG1 3.08Å
215	K	95.7	Very high	97.6	Very high	64 Å²	64	47.4 Å²	47.4	28%	0.278	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-36.7	168	-68.4	-175.9	163.5	-168.3	0	110.5	D213 K278 T394 P396	D213-K215 VanDerWaalsContact C-N 3.26Å; D213-K215 PolarHBondContact O-N 3.11Å; D213-K215 VanDerWaalsContact OD1-CB 3.27Å; D213-K215 WeakPolarHBondContact OD1-CB 3.49Å; D213-K215 PolarHBondContact OD1-N 3.04Å; K215-K278 WeakPolarHBondContact O-CE 3.47Å; K215-K278 PolarHBondContact O-NZ 2.94Å; K215-T394 WeakPolarHBondContact CD-O 3.41Å; K215-T394 PolarHBondContact NZ-O 2.84Å; K215-P396 HydrophobicContact CB-CG 3.98Å; K215-P396 WeakPolarHBondContact O-CG 3.3Å
216	W	98.2	Very high	97.8	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-55.2	179.7	-76.8	63.9	0	0	0	111.8	T209 V210 D213 S214 L269 W273 F276 K278 K393 P396	T209-W216 HydrophobicContact CG2-CE3 3.77Å; T209-W216 HydrophobicContact CG2-CZ3 4.1Å; V210-W216 HydrophobicContact CB-CD2 3.97Å; V210-W216 HydrophobicContact CB-CE3 4.47Å; V210-W216 HydrophobicContact CB-CG 4.12Å; V210-W216 HydrophobicContact CB-CZ2 4.5Å; V210-W216 HydrophobicContact CG2-CD2 3.79Å; V210-W216 HydrophobicContact CG2-CE3 4.22Å; V210-W216 HydrophobicContact CG2-CG 4.37Å; V210-W216 HydrophobicContact CG2-CH2 3.91Å; V210-W216 HydrophobicContact CG2-CZ2 3.44Å; V210-W216 VanDerWaalsContact CG2-CZ2 3.44Å; V210-W216 HydrophobicContact CG2-CZ3 4.27Å; D213-W216 HydrophobicContact CB-CB 4.35Å; D213-W216 HydrophobicContact CB-CG 4.31Å; D213-W216 WeakPolarHBondContact O-CB 3.41Å; D213-W216 PolarHBondContact O-N 2.98Å; S214-W216 VanDerWaalsContact C-N 3.29Å; W216-L269 HydrophobicContact CH2-CD2 4.08Å; W216-L269 HydrophobicContact CZ2-CD2 3.84Å; W216-W273 HydrophobicContact CH2-CB 4.33Å; W216-W273 WeakPolarHBondContact CH2-O 3.44Å; W216-W273 HydrophobicContact CZ3-CB 4.15Å; W216-F276 HydrophobicContact CB-CE1 4.37Å; W216-F276 AromaticContact CD2-CD1 3.93Å; W216-F276 HydrophobicContact CD2-CD1 3.93Å; W216-F276 HydrophobicContact CD2-CE1 4.23Å; W216-F276 HydrophobicContact CE3-CB 4.31Å; W216-F276 AromaticContact CE3-CD1 3.3Å; W216-F276 HydrophobicContact CE3-CD1 3.3Å; W216-F276 AromaticContact CE3-CE1 3.76Å; W216-F276 HydrophobicContact CE3-CE1 3.76Å; W216-F276 AromaticContact CE3-CG 3.91Å; W216-F276 HydrophobicContact CE3-CG 3.91Å; W216-F276 HydrophobicContact CH2-CB 4.09Å; W216-F276 HydrophobicContact CH2-CD1 4.31Å; W216-F276 HydrophobicContact CZ3-CB 3.63Å; W216-F276 AromaticContact CZ3-CD1 3.53Å; W216-F276 HydrophobicContact CZ3-CD1 3.53Å; W216-F276 HydrophobicContact CZ3-CE1 4.42Å; W216-F276 AromaticContact CZ3-CG 3.73Å; W216-F276 HydrophobicContact CZ3-CG 3.73Å; W216-K278 PolarHBondContact O-NZ 2.89Å; W216-K393 PolarHBondContact NE1-O 3.18Å; W216-P396 HydrophobicContact CG-CG 4.39Å
217	L	98.4	Very high	97.8	Very high	19 Å²	19	45.3 Å²	45.3	10%	0.099	22%	0.218	C	C	.	.			trans	-146.7	126	178.7	-68.3	174.5	0	0	0	110.5	I197 T209 D213 P220 F222 F236 F276	I197-L217 HydrophobicContact CD1-CD2 4.23Å; I197-L217 HydrophobicContact CG1-CD1 4.4Å; T209-L217 HydrophobicContact CG2-CD1 4.17Å; D213-L217 PolarHBondContact O-N 2.82Å; L217-P220 HydrophobicContact CB-CG 4.1Å; L217-P220 HydrophobicContact CD1-CG 4.41Å; L217-P220 HydrophobicContact CD2-CB 4.22Å; L217-P220 HydrophobicContact CD2-CG 4.32Å; L217-F222 HydrophobicContact CD1-CE1 4.43Å; L217-F222 HydrophobicContact CD1-CZ 4.2Å; L217-F222 HydrophobicContact CD2-CE1 4.37Å; L217-F236 HydrophobicContact CD2-CD2 4.43Å; L217-F236 HydrophobicContact CD2-CE2 3.64Å; L217-F236 HydrophobicContact CD2-CZ 3.69Å; L217-F276 HydrophobicContact CD2-CZ 4.41Å
218	K	97.7	Very high	97.8	Very high	49 Å²	49	48.1 Å²	48.1	21%	0.213	23%	0.23	C	C	.	.	S	Bend	trans	-123.8	98	179.2	-168.2	178.8	170.8	174.1	0	112.8	E238 I239 V241 N244	K218-E238 PolarHBondContact N-OE2 2.76Å; K218-E238 VanDerWaalsContact N-OE2 3.17Å; K218-E238 WeakPolarHBondContact O-CB 3.16Å; K218-I239 HydrophobicContact CB-CB 4.33Å; K218-I239 HydrophobicContact CD-CB 3.86Å; K218-I239 HydrophobicContact CD-CG2 3.93Å; K218-I239 HydrophobicContact CG-CB 3.93Å; K218-I239 HydrophobicContact CG-CD1 4.27Å; K218-I239 PolarHBondContact O-N 2.93Å; K218-V241 HydrophobicContact CB-CG1 4.33Å; K218-V241 HydrophobicContact CD-CG1 3.65Å; K218-N244 PolarHBondContact NZ-OD1 2.71Å
219	E	97.4	Very high	97.7	Very high	134 Å²	134	48 Å²	48	63%	0.626	25%	0.245	S	C	*	.	S	Bend	trans	48.9	58.2	-172.4	-62.2	177.4	-126.7	0	0	112.6	I239 K248	E219-I239 HydrophobicContact CB-CD1 3.81Å; E219-I239 HydrophobicContact CB-CG1 4.27Å; E219-I239 HydrophobicContact CG-CD1 3.85Å; E219-I239 WeakPolarHBondContact OE1-CD1 3.05Å; E219-K248 IonicContact OE1-NZ 3.72Å; E219-K248 PolarHBondContact OE1-NZ 2.94Å; E219-K248 IonicContact OE2-NZ 2.61Å; E219-K248 PolarHBondContact OE2-NZ 2.9Å
220	P	98.6	Very high	97.6	Very high	23 Å²	23	53 Å²	53	15%	0.149	27%	0.272	C	S	.	.			trans	-75.3	145.9	-175.9	34.5	-38.4	0	0	0	112.7	A195 L217 F222 F236 R237 E238	A195-P220 HydrophobicContact CB-CG 3.54Å; L217-P220 HydrophobicContact CB-CG 4.1Å; L217-P220 HydrophobicContact CD1-CG 4.41Å; L217-P220 HydrophobicContact CD2-CB 4.22Å; L217-P220 HydrophobicContact CD2-CG 4.32Å; P220-F222 HydrophobicContact CB-CD1 4.46Å; P220-F222 HydrophobicContact CB-CE1 3.88Å; P220-F222 HydrophobicContact CB-CZ 3.96Å; P220-F222 HydrophobicContact CG-CE1 4.02Å; P220-F222 HydrophobicContact CG-CE2 4.14Å; P220-F222 HydrophobicContact CG-CZ 3.58Å; P220-F236 HydrophobicContact CB-CD2 3.94Å; P220-F236 HydrophobicContact CB-CE2 4.36Å; P220-R237 CarbonylContact C-O 3.51Å; P220-R237 WeakPolarHBondContact CA-O 3.43Å; P220-E238 HydrophobicContact CB-CB 4.4Å
221	Y	98.7	Very high	97.6	Very high	98 Å²	98	54.1 Å²	54.1	38%	0.384	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	109.9	162.8	-173.9	-77	0	0	0	108.1	A172 V223 F236 R237	A172-Y221 HydrophobicContact CB-CD1 4.11Å; A172-Y221 HydrophobicContact CB-CE1 3.49Å; A172-Y221 VanDerWaalsContact CB-CE1 3.49Å; A172-Y221 HydrophobicContact CB-CE2 3.99Å; A172-Y221 VanDerWaalsContact CB-CZ 3.43Å; Y221-V223 HydrophobicContact CD1-CG2 4.07Å; Y221-V223 HydrophobicContact CE1-CG2 4.41Å; Y221-F236 WeakPolarHBondContact O-CA 3.35Å; Y221-F236 WeakPolarHBondContact O-CB 3.39Å; Y221-R237 VanDerWaalsContact CD1-NH2 3.34Å; Y221-R237 PolarHBondContact N-O 2.84Å; Y221-R237 PolarHBondContact O-N 2.82Å
222	F	98.8	Very high	97.7	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	144.3	-178.5	-51.9	-68.1	0	0	0	111.5	A172 V174 A185 A195 I197 L217 P220 F236	A172-F222 VanDerWaalsContact CB-O 3.27Å; A172-F222 WeakPolarHBondContact CB-O 3.45Å; V174-F222 HydrophobicContact CG2-CB 3.86Å; A185-F222 VanDerWaalsContact C-CD2 3.49Å; A185-F222 HydrophobicContact CB-CB 4.08Å; A185-F222 HydrophobicContact CB-CD1 3.54Å; A185-F222 HydrophobicContact CB-CD2 3.78Å; A185-F222 HydrophobicContact CB-CE1 3.83Å; A185-F222 HydrophobicContact CB-CE2 4.04Å; A185-F222 HydrophobicContact CB-CG 3.51Å; A185-F222 HydrophobicContact CB-CZ 4.06Å; A195-F222 HydrophobicContact CB-CE2 4.39Å; A195-F222 HydrophobicContact CB-CZ 4.41Å; I197-F222 HydrophobicContact CD1-CE1 4.07Å; I197-F222 HydrophobicContact CG1-CD1 4.41Å; I197-F222 HydrophobicContact CG1-CE1 3.73Å; I197-F222 HydrophobicContact CG1-CZ 4.28Å; L217-F222 HydrophobicContact CD1-CE1 4.43Å; L217-F222 HydrophobicContact CD1-CZ 4.2Å; L217-F222 HydrophobicContact CD2-CE1 4.37Å; P220-F222 HydrophobicContact CB-CD1 4.46Å; P220-F222 HydrophobicContact CB-CE1 3.88Å; P220-F222 HydrophobicContact CB-CZ 3.96Å; P220-F222 HydrophobicContact CG-CE1 4.02Å; P220-F222 HydrophobicContact CG-CE2 4.14Å; P220-F222 HydrophobicContact CG-CZ 3.58Å; F222-F236 HydrophobicContact CD1-CB 3.88Å; F222-F236 HydrophobicContact CD1-CG 4.28Å
223	V	98.7	Very high	97.9	Very high	24 Å²	24	43.4 Å²	43.4	15%	0.145	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	-50.7	-171.1	177.5	0	0	0	0	112.7	Y221 F235 L296 A298 V299	Y221-V223 HydrophobicContact CD1-CG2 4.07Å; Y221-V223 HydrophobicContact CE1-CG2 4.41Å; V223-F235 WeakPolarHBondContact CA-O 3.48Å; V223-F235 WeakPolarHBondContact CB-O 3.47Å; V223-F235 PolarHBondContact N-O 2.91Å; V223-L296 HydrophobicContact CB-CD2 4.01Å; V223-L296 HydrophobicContact CB-CG 4.41Å; V223-L296 HydrophobicContact CG1-CD2 4.2Å; V223-L296 HydrophobicContact CG1-CG 4.19Å; V223-L296 HydrophobicContact CG2-CD2 3.95Å; V223-L296 HydrophobicContact CG2-CG 4.11Å; V223-A298 VanDerWaalsContact CG1-CA 3.44Å; V223-V299 HydrophobicContact CG1-CG2 4.25Å
224	Q	98.7	Very high	98	Very high	53 Å²	53	41.5 Å²	41.5	25%	0.248	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	164	178.8	-172.4	60.3	-1.8	0	0	109.9	V226 F235 V299 D301	Q224-V226 HydrophobicContact CG-CG1 4.24Å; Q224-F235 HydrophobicContact CB-CB 4.32Å; Q224-F235 HydrophobicContact CB-CD2 4.46Å; Q224-F235 PolarHBondContact N-O 2.73Å; Q224-F235 PolarHBondContact O-N 2.92Å; Q224-V299 HydrophobicContact CB-CB 3.94Å; Q224-V299 HydrophobicContact CB-CG2 4.47Å; Q224-V299 HydrophobicContact CG-CB 4.3Å; Q224-D301 PolarHBondContact NE2-OD1 3.43Å
225	A	98.8	Very high	98.2	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.025	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	152.5	152.7	0	0	0	0	0	109.9	V174 L176 I232 Y233 F234	V174-A225 HydrophobicContact CG1-CB 3.48Å; V174-A225 VanDerWaalsContact CG1-CB 3.48Å; L176-A225 HydrophobicContact CD2-CB 4.38Å; A225-I232 HydrophobicContact CB-CG2 4.22Å; A225-Y233 CarbonylContact C-O 3.53Å; A225-Y233 WeakPolarHBondContact CA-O 3.31Å; A225-Y233 WeakPolarHBondContact CB-O 3.5Å; A225-F234 HydrophobicContact CB-CD1 3.71Å; A225-F234 HydrophobicContact CB-CE1 4Å; A225-F234 HydrophobicContact CB-CG 4.08Å
226	V	98.6	Very high	98.4	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.024	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.7	177.6	-52.5	0	0	0	0	110.6	Q224 I232 Y233 F235 V302 M332	Q224-V226 HydrophobicContact CG-CG1 4.24Å; V226-I232 WeakPolarHBondContact O-CA 3.43Å; V226-Y233 PolarHBondContact N-O 2.94Å; V226-Y233 PolarHBondContact O-N 2.7Å; V226-F235 HydrophobicContact CG1-CE2 4.34Å; V226-F235 HydrophobicContact CG2-CE2 4.01Å; V226-V302 HydrophobicContact CB-CG2 4.02Å; V226-V302 HydrophobicContact CG1-CG2 4.45Å; V226-V302 HydrophobicContact CG2-CG2 3.73Å; V226-M332 HydrophobicContact CG2-CE 4.32Å
227	D	98.4	Very high	98.4	Very high	64 Å²	64	36.7 Å²	36.7	34%	0.342	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.9	166.9	-176.3	-52.5	0	0	0	108.9	L176 A178 I232 K259	L176-D227 HydrophobicContact CD2-CB 4.43Å; A178-D227 WeakPolarHBondContact CB-OD2 3.49Å; D227-I232 HydrophobicContact CB-CD1 3.98Å; D227-K259 VanDerWaalsContact CG-CE 3.43Å; D227-K259 VanDerWaalsContact OD1-CE 3.32Å; D227-K259 WeakPolarHBondContact OD1-CE 3.35Å; D227-K259 IonicContact OD1-NZ 3.17Å; D227-K259 PolarHBondContact OD1-NZ 2.97Å; D227-K259 WeakPolarHBondContact OD2-CE 3.44Å; D227-K259 IonicContact OD2-NZ 2.73Å; D227-K259 PolarHBondContact OD2-NZ 3.46Å
228	Y	98.3	Very high	98.4	Very high	61 Å²	61	35.8 Å²	35.8	24%	0.239	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	119.2	172	-169.5	-101.5	0	0	0	112.2	Y231 Y233 V302 D309 M332	Y228-Y231 PolarHBondContact N-O 2.91Å; Y228-Y231 VanDerWaalsContact N-O 3.12Å; Y228-Y231 PolarHBondContact O-N 3.37Å; Y228-Y231 VanDerWaalsContact O-O 3.08Å; Y228-Y233 HydrophobicContact CD1-CE2 4.26Å; Y228-V302 HydrophobicContact CD2-CG1 4.03Å; Y228-V302 HydrophobicContact CD2-CG2 4.14Å; Y228-V302 HydrophobicContact CE2-CG1 4.12Å; Y228-D309 HydrophobicContact CE2-CB 3.78Å; Y228-D309 WeakPolarHBondContact CE2-OD2 3.47Å; Y228-D309 PolarHBondContact OH-OD2 3.1Å; Y228-M332 HydrophobicContact CD1-CB 3.95Å; Y228-M332 HydrophobicContact CD1-CE 3.84Å; Y228-M332 HydrophobicContact CD1-CG 4.34Å; Y228-M332 HydrophobicContact CD2-CG 4.35Å; Y228-M332 HydrophobicContact CE1-CB 3.57Å; Y228-M332 HydrophobicContact CE1-CG 4.28Å; Y228-M332 HydrophobicContact CE2-CB 4.3Å; Y228-M332 HydrophobicContact CE2-CG 4.29Å; Y228-M332 HydrophobicContact CG-CB 4.46Å; Y228-M332 HydrophobicContact CG-CE 3.83Å; Y228-M332 HydrophobicContact CG-CG 4.37Å
229	G	96.3	Very high	98.4	Very high	51 Å²	51	33.7 Å²	33.7	53%	0.526	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	-135	-178.9	0	0	0	0	0	112.4	Y231 K259	G229-Y231 PolarHBondContact O-N 3.4Å; G229-K259 VanDerWaalsContact O-CE 3.23Å; G229-K259 WeakPolarHBondContact O-CE 3.36Å; G229-K259 PolarHBondContact O-NZ 2.59Å
230	D	96.8	Very high	98.3	Very high	106 Å²	106	27.3 Å²	27.3	57%	0.567	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-2.5	177.9	-57.2	-50.1	0	0	0	113.8	K259	D230-K259 WeakPolarHBondContact O-CB 3.5Å; D230-K259 WeakPolarHBondContact O-CG 3.39Å; D230-K259 PolarHBondContact O-N 2.8Å
231	Y	98.6	Very high	98	Very high	43 Å²	43	26.5 Å²	26.5	17%	0.169	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	156.6	-167.5	-60.1	-86.5	0	0	0	113.2	Y228 G229 Y233 Q256 V257 C258 C369	Y228-Y231 PolarHBondContact N-O 2.91Å; Y228-Y231 VanDerWaalsContact N-O 3.12Å; Y228-Y231 PolarHBondContact O-N 3.37Å; Y228-Y231 VanDerWaalsContact O-O 3.08Å; G229-Y231 PolarHBondContact O-N 3.4Å; Y231-Y233 HydrophobicContact CG-CE2 4.49Å; Y231-Q256 HydrophobicContact CD1-CB 4Å; Y231-Q256 HydrophobicContact CD1-CG 4.24Å; Y231-Q256 HydrophobicContact CE1-CG 4.44Å; Y231-Q256 VanDerWaalsContact CE1-NE2 3.29Å; Y231-V257 CarbonylContact C-O 3.57Å; Y231-V257 VanDerWaalsContact CA-O 3.26Å; Y231-V257 WeakPolarHBondContact CA-O 3.31Å; Y231-C258 VanDerWaalsContact CE1-SG 3.53Å; Y231-C369 WeakPolarHBondContact CE1-SG 3.25Å; Y231-C369 VanDerWaalsContact CZ-SG 3.51Å
232	I	98.9	Very high	97.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.6	159.7	-54.3	-57.5	0	0	0	107.8	L176 A178 Y183 A225 V226 D227 F234 V257 K259	L176-I232 HydrophobicContact CD2-CD1 4.46Å; L176-I232 HydrophobicContact CD2-CG2 4.11Å; A178-I232 HydrophobicContact CB-CD1 3.67Å; Y183-I232 HydrophobicContact CD1-CB 4.27Å; Y183-I232 HydrophobicContact CD1-CG1 3.84Å; Y183-I232 HydrophobicContact CD1-CG2 4.39Å; Y183-I232 HydrophobicContact CD2-CG1 4.13Å; Y183-I232 HydrophobicContact CE1-CB 4.4Å; Y183-I232 HydrophobicContact CE1-CG1 3.67Å; Y183-I232 HydrophobicContact CE2-CD1 4.39Å; Y183-I232 HydrophobicContact CE2-CG1 4Å; Y183-I232 HydrophobicContact CG-CG1 4.07Å; Y183-I232 HydrophobicContact CG-CG2 4.45Å; A225-I232 HydrophobicContact CB-CG2 4.22Å; V226-I232 WeakPolarHBondContact O-CA 3.43Å; D227-I232 HydrophobicContact CB-CD1 3.98Å; I232-F234 HydrophobicContact CB-CE2 4.22Å; I232-F234 HydrophobicContact CG2-CD2 4.18Å; I232-F234 HydrophobicContact CG2-CE2 3.69Å; I232-F234 HydrophobicContact CG2-CZ 4.08Å; I232-V257 HydrophobicContact CB-CG2 4.05Å; I232-V257 PolarHBondContact N-O 2.94Å; I232-V257 PolarHBondContact O-N 2.69Å; I232-V257 VanDerWaalsContact O-N 3.1Å; I232-K259 HydrophobicContact CD1-CG 4.1Å; I232-K259 HydrophobicContact CG1-CG 4.16Å
233	Y	98.9	Very high	97	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	117.7	179.3	-65.9	-82.2	0	0	0	110.7	A225 V226 Y228 Y231 V254 A255 Q256 M332 I335 F339	A225-Y233 CarbonylContact C-O 3.53Å; A225-Y233 WeakPolarHBondContact CA-O 3.31Å; A225-Y233 WeakPolarHBondContact CB-O 3.5Å; V226-Y233 PolarHBondContact N-O 2.94Å; V226-Y233 PolarHBondContact O-N 2.7Å; Y228-Y233 HydrophobicContact CD1-CE2 4.26Å; Y231-Y233 HydrophobicContact CG-CE2 4.49Å; Y233-V254 HydrophobicContact CD1-CG2 4.1Å; Y233-A255 CarbonylContact C-O 3.52Å; Y233-A255 VanDerWaalsContact CA-O 3.3Å; Y233-A255 WeakPolarHBondContact CA-O 3.29Å; Y233-Q256 HydrophobicContact CD1-CB 3.87Å; Y233-Q256 HydrophobicContact CE1-CB 3.64Å; Y233-M332 HydrophobicContact CD2-CE 3.57Å; Y233-M332 HydrophobicContact CE2-CE 3.82Å; Y233-M332 HydrophobicContact CG-CE 4.15Å; Y233-I335 HydrophobicContact CD1-CG2 3.71Å; Y233-I335 HydrophobicContact CE1-CG2 3.67Å; Y233-I335 HydrophobicContact CG-CG2 4.45Å; Y233-F339 HydrophobicContact CD1-CE2 4.26Å; Y233-F339 HydrophobicContact CE1-CD2 4.22Å; Y233-F339 AromaticContact CE1-CE2 3.91Å; Y233-F339 HydrophobicContact CE1-CE2 3.91Å
234	F	98.9	Very high	96.1	Very high	3 Å²	3	30.6 Å²	30.6	1%	0.013	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.6	177.8	-70.4	-95.4	0	0	0	111.3	V174 Y183 A185 I197 A225 I232 V254 A255 V257	V174-F234 HydrophobicContact CG1-CE1 4.49Å; Y183-F234 HydrophobicContact CD1-CZ 4.37Å; A185-F234 HydrophobicContact CB-CD1 4.13Å; A185-F234 HydrophobicContact CB-CE1 4.13Å; I197-F234 HydrophobicContact CD1-CB 4.14Å; I197-F234 HydrophobicContact CD1-CD1 4.33Å; I197-F234 HydrophobicContact CD1-CG 4.12Å; I197-F234 HydrophobicContact CG1-CD1 4.26Å; I197-F234 HydrophobicContact CG2-CD1 4.06Å; I197-F234 HydrophobicContact CG2-CD2 3.96Å; I197-F234 HydrophobicContact CG2-CE1 3.7Å; I197-F234 HydrophobicContact CG2-CE2 3.58Å; I197-F234 HydrophobicContact CG2-CG 4.18Å; I197-F234 HydrophobicContact CG2-CZ 3.43Å; I197-F234 VanDerWaalsContact CG2-CZ 3.43Å; A225-F234 HydrophobicContact CB-CD1 3.71Å; A225-F234 HydrophobicContact CB-CE1 4Å; A225-F234 HydrophobicContact CB-CG 4.08Å; I232-F234 HydrophobicContact CB-CE2 4.22Å; I232-F234 HydrophobicContact CG2-CD2 4.18Å; I232-F234 HydrophobicContact CG2-CE2 3.69Å; I232-F234 HydrophobicContact CG2-CZ 4.08Å; F234-V254 CarbonylContact O-C 3.57Å; F234-V254 WeakPolarHBondContact O-CA 3.38Å; F234-A255 PolarHBondContact N-O 3.08Å; F234-A255 PolarHBondContact O-N 3.31Å; F234-V257 HydrophobicContact CD2-CG2 4.49Å; F234-V257 HydrophobicContact CE2-CG2 3.84Å
235	F	98.9	Very high	95.1	Very high	1 Å²	1	33 Å²	33	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.6	177	-63.9	-90.7	0	0	0	110.5	V223 Q224 V226 R253 V254 L281 L296 V299 V311 I335	V223-F235 WeakPolarHBondContact CA-O 3.48Å; V223-F235 WeakPolarHBondContact CB-O 3.47Å; V223-F235 PolarHBondContact N-O 2.91Å; Q224-F235 HydrophobicContact CB-CB 4.32Å; Q224-F235 HydrophobicContact CB-CD2 4.46Å; Q224-F235 PolarHBondContact N-O 2.73Å; Q224-F235 PolarHBondContact O-N 2.92Å; V226-F235 HydrophobicContact CG1-CE2 4.34Å; V226-F235 HydrophobicContact CG2-CE2 4.01Å; F235-R253 WeakPolarHBondContact CA-O 3.3Å; F235-V254 HydrophobicContact CD1-CB 4.03Å; F235-V254 HydrophobicContact CD1-CG2 4.07Å; F235-V254 HydrophobicContact CE1-CB 3.83Å; F235-V254 HydrophobicContact CE1-CG2 3.61Å; F235-V254 HydrophobicContact CE2-CG2 4.38Å; F235-V254 HydrophobicContact CZ-CB 4.5Å; F235-V254 HydrophobicContact CZ-CG2 3.78Å; F235-L281 HydrophobicContact CD1-CD1 3.98Å; F235-L281 HydrophobicContact CE1-CD1 4.4Å; F235-L296 HydrophobicContact CB-CD2 4.16Å; F235-V299 HydrophobicContact CB-CB 4.46Å; F235-V299 HydrophobicContact CB-CG2 3.71Å; F235-V299 HydrophobicContact CD1-CG1 4.2Å; F235-V299 HydrophobicContact CD1-CG2 3.97Å; F235-V299 HydrophobicContact CD2-CG1 4.27Å; F235-V299 HydrophobicContact CE1-CG1 4.31Å; F235-V299 HydrophobicContact CE2-CG1 4.37Å; F235-V299 HydrophobicContact CG-CB 4.31Å; F235-V299 HydrophobicContact CG-CG1 4.19Å; F235-V299 HydrophobicContact CG-CG2 3.83Å; F235-V299 HydrophobicContact CZ-CG1 4.4Å; F235-V311 HydrophobicContact CE1-CG2 4.14Å; F235-V311 HydrophobicContact CZ-CG2 3.88Å; F235-I335 HydrophobicContact CE1-CD1 4.32Å; F235-I335 HydrophobicContact CZ-CD1 4.12Å
236	F	98.9	Very high	94.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	177.3	-177.3	64.5	-81.9	0	0	0	111.6	I197 L217 P220 Y221 F222 E238 R253 A255 K278	I197-F236 HydrophobicContact CD1-CE1 4.32Å; L217-F236 HydrophobicContact CD2-CD2 4.43Å; L217-F236 HydrophobicContact CD2-CE2 3.64Å; L217-F236 HydrophobicContact CD2-CZ 3.69Å; P220-F236 HydrophobicContact CB-CD2 3.94Å; P220-F236 HydrophobicContact CB-CE2 4.36Å; Y221-F236 WeakPolarHBondContact O-CA 3.35Å; Y221-F236 WeakPolarHBondContact O-CB 3.39Å; F222-F236 HydrophobicContact CD1-CB 3.88Å; F222-F236 HydrophobicContact CD1-CG 4.28Å; F236-E238 HydrophobicContact CD2-CB 4.2Å; F236-E238 HydrophobicContact CD2-CG 4.4Å; F236-E238 HydrophobicContact CE2-CB 4.06Å; F236-E238 HydrophobicContact CE2-CG 3.93Å; F236-R253 HydrophobicContact CD1-CB 3.96Å; F236-R253 HydrophobicContact CD2-CB 4.09Å; F236-R253 HydrophobicContact CD2-CG 4.22Å; F236-R253 HydrophobicContact CE1-CB 3.73Å; F236-R253 HydrophobicContact CE1-CG 4.46Å; F236-R253 HydrophobicContact CE2-CB 3.87Å; F236-R253 HydrophobicContact CE2-CG 3.78Å; F236-R253 HydrophobicContact CG-CB 4.14Å; F236-R253 HydrophobicContact CZ-CB 3.69Å; F236-R253 HydrophobicContact CZ-CG 3.91Å; F236-R253 PolarHBondContact N-O 2.91Å; F236-R253 VanDerWaalsContact N-O 3.1Å; F236-R253 PolarHBondContact O-N 2.61Å; F236-A255 HydrophobicContact CE1-CB 3.8Å; F236-K278 HydrophobicContact CZ-CD 4.03Å
237	R	98.8	Very high	93.5	Very high	22 Å²	22	41.7 Å²	41.7	8%	0.083	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.9	166.7	61.9	-178.2	-170.1	-96.3	-6.1	109.8	P220 Y221 V250 F251 L296	P220-R237 CarbonylContact C-O 3.51Å; P220-R237 WeakPolarHBondContact CA-O 3.43Å; Y221-R237 VanDerWaalsContact CD1-NH2 3.34Å; Y221-R237 PolarHBondContact N-O 2.84Å; Y221-R237 PolarHBondContact O-N 2.82Å; R237-V250 HydrophobicContact CB-CG1 4.02Å; R237-V250 HydrophobicContact CG-CG1 4.31Å; R237-F251 VanDerWaalsContact CA-O 3.28Å; R237-F251 WeakPolarHBondContact CA-O 3.33Å; R237-L296 HydrophobicContact CB-CB 4.49Å; R237-L296 PolarHBondContact NH1-O 2.67Å
238	E	98.4	Very high	93.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	175.3	-177.1	63.7	163.7	-172.7	0	0	110.7	K218 P220 F236 A240 V250 F251 R253 K278	K218-E238 PolarHBondContact N-OE2 2.76Å; K218-E238 VanDerWaalsContact N-OE2 3.17Å; K218-E238 WeakPolarHBondContact O-CB 3.16Å; P220-E238 HydrophobicContact CB-CB 4.4Å; F236-E238 HydrophobicContact CD2-CB 4.2Å; F236-E238 HydrophobicContact CD2-CG 4.4Å; F236-E238 HydrophobicContact CE2-CB 4.06Å; F236-E238 HydrophobicContact CE2-CG 3.93Å; E238-A240 PolarHBondContact O-N 2.86Å; E238-V250 CarbonylContact O-C 3.53Å; E238-V250 VanDerWaalsContact O-CA 3.26Å; E238-V250 WeakPolarHBondContact O-CA 3.24Å; E238-V250 WeakPolarHBondContact O-CG1 3.24Å; E238-F251 PolarHBondContact N-O 2.78Å; E238-F251 PolarHBondContact O-N 2.94Å; E238-R253 HydrophobicContact CG-CG 3.84Å; E238-R253 IonicContact OE1-CZ 3.66Å; E238-R253 VanDerWaalsContact OE1-CZ 3.29Å; E238-R253 IonicContact OE1-NE 3.56Å; E238-R253 PolarHBondContact OE1-NE 3.41Å; E238-R253 IonicContact OE1-NH2 2.7Å; E238-R253 PolarHBondContact OE1-NH2 3.32Å; E238-K278 VanDerWaalsContact OE1-CE 3.24Å; E238-K278 WeakPolarHBondContact OE1-CE 3.41Å; E238-K278 IonicContact OE1-NZ 3.68Å; E238-K278 PolarHBondContact OE1-NZ 2.88Å; E238-K278 IonicContact OE2-NZ 3.71Å; E238-K278 PolarHBondContact OE2-NZ 2.95Å
239	I	97.7	Very high	92.9	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.7	170.4	-58.7	167.3	0	0	0	109.8	K218 E219 V241 K248 V249	K218-I239 HydrophobicContact CB-CB 4.33Å; K218-I239 HydrophobicContact CD-CB 3.86Å; K218-I239 HydrophobicContact CD-CG2 3.93Å; K218-I239 HydrophobicContact CG-CB 3.93Å; K218-I239 HydrophobicContact CG-CD1 4.27Å; K218-I239 PolarHBondContact O-N 2.93Å; E219-I239 HydrophobicContact CB-CD1 3.81Å; E219-I239 HydrophobicContact CB-CG1 4.27Å; E219-I239 HydrophobicContact CG-CD1 3.85Å; E219-I239 WeakPolarHBondContact OE1-CD1 3.05Å; I239-V241 PolarHBondContact O-N 3.38Å; I239-V241 VanDerWaalsContact O-N 3.09Å; I239-K248 HydrophobicContact CD1-CD 3.86Å; I239-K248 HydrophobicContact CD1-CG 4.09Å; I239-K248 HydrophobicContact CG1-CD 4.44Å; I239-K248 HydrophobicContact CG1-CG 4.19Å; I239-K248 HydrophobicContact CG2-CG 4.24Å; I239-V249 WeakPolarHBondContact CA-O 3.22Å
240	A	96.1	Very high	92.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.			trans	-68.9	101.6	179.2	0	0	0	0	0	111.3	E238 E242 Y243 N244 V249 F251	E238-A240 PolarHBondContact O-N 2.86Å; A240-E242 VanDerWaalsContact C-OE2 3.27Å; A240-E242 VanDerWaalsContact CA-OE2 3.24Å; A240-E242 WeakPolarHBondContact CA-OE2 3.49Å; A240-E242 HydrophobicContact CB-CG 4.4Å; A240-E242 PolarHBondContact O-N 2.84Å; A240-Y243 PolarHBondContact O-N 2.83Å; A240-Y243 VanDerWaalsContact O-N 3.07Å; A240-N244 PolarHBondContact O-N 3.14Å; A240-V249 HydrophobicContact CB-CB 4.43Å; A240-V249 PolarHBondContact N-O 2.75Å; A240-F251 HydrophobicContact CB-CB 4.13Å; A240-F251 HydrophobicContact CB-CD1 4.27Å; A240-F251 HydrophobicContact CB-CD2 3.39Å; A240-F251 HydrophobicContact CB-CE2 3.76Å; A240-F251 HydrophobicContact CB-CG 3.67Å; A240-F251 HydrophobicContact CB-CZ 4.33Å
241	V	91.8	Very high	93	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.03	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-61.8	-28.5	174.3	-70	0	0	0	0	112.5	S214 K218 I239 Y243 N244 W353 L397	S214-V241 WeakPolarHBondContact O-CG1 3.08Å; K218-V241 HydrophobicContact CB-CG1 4.33Å; K218-V241 HydrophobicContact CD-CG1 3.65Å; I239-V241 PolarHBondContact O-N 3.38Å; I239-V241 VanDerWaalsContact O-N 3.09Å; V241-Y243 PolarHBondContact O-N 3.06Å; V241-N244 WeakPolarHBondContact CA-ND2 3.38Å; V241-N244 PolarHBondContact O-ND2 2.92Å; V241-W353 HydrophobicContact CB-CH2 4.43Å; V241-W353 HydrophobicContact CB-CZ2 3.96Å; V241-W353 HydrophobicContact CG2-CH2 3.83Å; V241-W353 HydrophobicContact CG2-CZ2 3.81Å; V241-W353 PolarHBondContact O-NE1 2.86Å; V241-L397 HydrophobicContact CG2-CD2 4.12Å
242	E	89.9	Confident	93	Very high	30 Å²	30	37.4 Å²	37.4	14%	0.14	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-71.6	-9.1	175.4	66.2	-92.7	-122.3	0	0	114.2	A240 F251 R253 W353 L397	A240-E242 VanDerWaalsContact C-OE2 3.27Å; A240-E242 VanDerWaalsContact CA-OE2 3.24Å; A240-E242 WeakPolarHBondContact CA-OE2 3.49Å; A240-E242 HydrophobicContact CB-CG 4.4Å; A240-E242 PolarHBondContact O-N 2.84Å; E242-F251 HydrophobicContact CG-CD2 4.28Å; E242-F251 HydrophobicContact CG-CE2 3.82Å; E242-F251 WeakPolarHBondContact OE1-CD2 3.39Å; E242-R253 IonicContact OE1-CZ 3.44Å; E242-R253 IonicContact OE1-NH1 3.52Å; E242-R253 PolarHBondContact OE1-NH1 2.87Å; E242-R253 IonicContact OE1-NH2 3.3Å; E242-R253 PolarHBondContact OE1-NH2 2.79Å; E242-R253 VanDerWaalsContact OE1-NH2 3.15Å; E242-R253 IonicContact OE2-CZ 2.72Å; E242-R253 IonicContact OE2-NH1 2.73Å; E242-R253 IonicContact OE2-NH2 3.83Å; E242-R253 PolarHBondContact OE2-NH2 2.86Å; E242-W353 HydrophobicContact CB-CB 4.44Å; E242-W353 HydrophobicContact CB-CD2 4.26Å; E242-W353 HydrophobicContact CB-CG 4.06Å; E242-L397 HydrophobicContact CB-CD2 4.44Å
243	Y	86.4	Confident	93	Very high	114 Å²	114	37.4 Å²	37.4	45%	0.447	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-121.2	4.3	-177	-115.7	-97.4	0	0	0	114.2	A240 V241 T245 M246 V249 F251	A240-Y243 PolarHBondContact O-N 2.83Å; A240-Y243 VanDerWaalsContact O-N 3.07Å; V241-Y243 PolarHBondContact O-N 3.06Å; Y243-T245 PolarHBondContact O-N 2.04Å; Y243-M246 HydrophobicContact CD1-CB 3.92Å; Y243-M246 HydrophobicContact CD1-CG 4.43Å; Y243-M246 HydrophobicContact CE1-CB 4.17Å; Y243-M246 HydrophobicContact CE1-CG 4.37Å; Y243-M246 PolarHBondContact O-N 3.14Å; Y243-V249 HydrophobicContact CD1-CB 4.45Å; Y243-V249 HydrophobicContact CD1-CG2 3.79Å; Y243-V249 HydrophobicContact CG-CG2 4.35Å; Y243-F251 HydrophobicContact CD2-CE2 4.1Å; Y243-F251 AromaticContact CD2-CZ 3.75Å; Y243-F251 HydrophobicContact CD2-CZ 3.75Å; Y243-F251 HydrophobicContact CE2-CZ 4.09Å; Y243-F251 HydrophobicContact CG-CZ 4.32Å
244	N	79.2	Confident	93	Very high	73 Å²	73	37.2 Å²	37.2	39%	0.39	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-50.5	-34.7	-176.7	-72.3	-38.3	0	0	0	113.9	K218 A240 V241 M246 G247	K218-N244 PolarHBondContact NZ-OD1 2.71Å; A240-N244 PolarHBondContact O-N 3.14Å; V241-N244 WeakPolarHBondContact CA-ND2 3.38Å; V241-N244 PolarHBondContact O-ND2 2.92Å; N244-M246 PolarHBondContact O-N 3.4Å; N244-G247 PolarHBondContact O-N 3.43Å
245	T	79	Confident	93	Very high	104 Å²	104	37.1 Å²	37.1	64%	0.638	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-65.3	-19.5	-179.9	50.1	0	0	0	0	113.8	Y243	Y243-T245 PolarHBondContact O-N 2.04Å
246	M	78.7	Confident	93	Very high	152 Å²	152	37.4 Å²	37.4	75%	0.749	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-110.8	8.6	178.8	-61.5	-69.5	177.7	0	0	112.3	Y243 N244	Y243-M246 HydrophobicContact CD1-CB 3.92Å; Y243-M246 HydrophobicContact CD1-CG 4.43Å; Y243-M246 HydrophobicContact CE1-CB 4.17Å; Y243-M246 HydrophobicContact CE1-CG 4.37Å; Y243-M246 PolarHBondContact O-N 3.14Å; N244-M246 PolarHBondContact O-N 3.4Å
247	G	84.2	Confident	93	Very high	37 Å²	37	37.4 Å²	37.4	38%	0.381	20%	0.195	S	C	.	.			trans	109.6	-173.8	177.1	0	0	0	0	0	115.4	N244 V249	N244-G247 PolarHBondContact O-N 3.43Å; G247-V249 PolarHBondContact O-N 2.87Å
248	K	89.6	Confident	93	Very high	138 Å²	138	36.4 Å²	36.4	60%	0.6	19%	0.192	S	C	*	.			trans	-79.9	80.2	-177.7	-178.5	162.3	169.6	156.1	0	111.3	E219 I239	E219-K248 IonicContact OE1-NZ 3.72Å; E219-K248 PolarHBondContact OE1-NZ 2.94Å; E219-K248 IonicContact OE2-NZ 2.61Å; E219-K248 PolarHBondContact OE2-NZ 2.9Å; I239-K248 HydrophobicContact CD1-CD 3.86Å; I239-K248 HydrophobicContact CD1-CG 4.09Å; I239-K248 HydrophobicContact CG1-CD 4.44Å; I239-K248 HydrophobicContact CG1-CG 4.19Å; I239-K248 HydrophobicContact CG2-CG 4.24Å
249	V	94.1	Very high	93	Very high	42 Å²	42	37.7 Å²	37.7	26%	0.255	20%	0.197	S	C	.	.			trans	-86.4	138.8	170.6	-176.7	0	0	0	0	110.1	I239 A240 Y243 G247 F251	I239-V249 WeakPolarHBondContact CA-O 3.22Å; A240-V249 HydrophobicContact CB-CB 4.43Å; A240-V249 PolarHBondContact N-O 2.75Å; Y243-V249 HydrophobicContact CD1-CB 4.45Å; Y243-V249 HydrophobicContact CD1-CG2 3.79Å; Y243-V249 HydrophobicContact CG-CG2 4.35Å; G247-V249 PolarHBondContact O-N 2.87Å; V249-F251 HydrophobicContact CG1-CD1 3.89Å; V249-F251 HydrophobicContact CG1-CE1 3.65Å; V249-F251 HydrophobicContact CG1-CZ 4.42Å
250	V	97.6	Very high	92.9	Very high	43 Å²	43	40.8 Å²	40.8	26%	0.261	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	134.3	170.6	173.4	0	0	0	0	108.8	R237 E238 N294 I295	R237-V250 HydrophobicContact CB-CG1 4.02Å; R237-V250 HydrophobicContact CG-CG1 4.31Å; E238-V250 CarbonylContact O-C 3.53Å; E238-V250 VanDerWaalsContact O-CA 3.26Å; E238-V250 WeakPolarHBondContact O-CA 3.24Å; E238-V250 WeakPolarHBondContact O-CG1 3.24Å; V250-N294 VanDerWaalsContact O-CB 3.24Å; V250-N294 WeakPolarHBondContact O-CB 3.41Å; V250-I295 HydrophobicContact CB-CD1 3.88Å; V250-I295 HydrophobicContact CG1-CD1 3.79Å
251	F	98.3	Very high	93	Very high	11 Å²	11	40.8 Å²	40.8	5%	0.048	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	150.2	173.3	-81.4	-9.7	0	0	0	112.2	R237 E238 A240 E242 Y243 V249 R280 N294	R237-F251 VanDerWaalsContact CA-O 3.28Å; R237-F251 WeakPolarHBondContact CA-O 3.33Å; E238-F251 PolarHBondContact N-O 2.78Å; E238-F251 PolarHBondContact O-N 2.94Å; A240-F251 HydrophobicContact CB-CB 4.13Å; A240-F251 HydrophobicContact CB-CD1 4.27Å; A240-F251 HydrophobicContact CB-CD2 3.39Å; A240-F251 HydrophobicContact CB-CE2 3.76Å; A240-F251 HydrophobicContact CB-CG 3.67Å; A240-F251 HydrophobicContact CB-CZ 4.33Å; E242-F251 HydrophobicContact CG-CD2 4.28Å; E242-F251 HydrophobicContact CG-CE2 3.82Å; E242-F251 WeakPolarHBondContact OE1-CD2 3.39Å; Y243-F251 HydrophobicContact CD2-CE2 4.1Å; Y243-F251 AromaticContact CD2-CZ 3.75Å; Y243-F251 HydrophobicContact CD2-CZ 3.75Å; Y243-F251 HydrophobicContact CE2-CZ 4.09Å; Y243-F251 HydrophobicContact CG-CZ 4.32Å; V249-F251 HydrophobicContact CG1-CD1 3.89Å; V249-F251 HydrophobicContact CG1-CE1 3.65Å; V249-F251 HydrophobicContact CG1-CZ 4.42Å; F251-R280 HydrophobicContact CD2-CG 4.19Å; F251-R280 HydrophobicContact CG-CG 4.4Å; F251-N294 HydrophobicContact CD1-CB 4.44Å; F251-N294 WeakPolarHBondContact CD1-OD1 3.28Å
252	P	98.8	Very high	93.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	145	171.5	36.1	-32.5	0	0	0	110.5	R280 L281 N294 L296 F315	P252-R280 WeakPolarHBondContact O-CA 3.37Å; P252-L281 HydrophobicContact CB-CB 4.22Å; P252-L281 HydrophobicContact CB-CD1 4.44Å; P252-L281 HydrophobicContact CG-CB 4.06Å; P252-L281 WeakPolarHBondContact CG-O 3.45Å; P252-L281 PolarHBondContact O-N 2.82Å; P252-N294 VanDerWaalsContact CD-O 3.28Å; P252-N294 WeakPolarHBondContact CD-O 3.37Å; P252-L296 HydrophobicContact CB-CB 3.93Å; P252-F315 HydrophobicContact CB-CD1 4.23Å; P252-F315 HydrophobicContact CB-CE1 3.71Å; P252-F315 HydrophobicContact CG-CD1 4.34Å; P252-F315 HydrophobicContact CG-CE1 3.93Å
253	R	98.9	Very high	93.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146.8	-175.4	-61.5	-62.6	-165.4	-152.2	-4.2	112	F235 F236 E238 E242 A279	F235-R253 WeakPolarHBondContact CA-O 3.3Å; F236-R253 HydrophobicContact CD1-CB 3.96Å; F236-R253 HydrophobicContact CD2-CB 4.09Å; F236-R253 HydrophobicContact CD2-CG 4.22Å; F236-R253 HydrophobicContact CE1-CB 3.73Å; F236-R253 HydrophobicContact CE1-CG 4.46Å; F236-R253 HydrophobicContact CE2-CB 3.87Å; F236-R253 HydrophobicContact CE2-CG 3.78Å; F236-R253 HydrophobicContact CG-CB 4.14Å; F236-R253 HydrophobicContact CZ-CB 3.69Å; F236-R253 HydrophobicContact CZ-CG 3.91Å; F236-R253 PolarHBondContact N-O 2.91Å; F236-R253 VanDerWaalsContact N-O 3.1Å; F236-R253 PolarHBondContact O-N 2.61Å; E238-R253 HydrophobicContact CG-CG 3.84Å; E238-R253 IonicContact OE1-CZ 3.66Å; E238-R253 VanDerWaalsContact OE1-CZ 3.29Å; E238-R253 IonicContact OE1-NE 3.56Å; E238-R253 PolarHBondContact OE1-NE 3.41Å; E238-R253 IonicContact OE1-NH2 2.7Å; E238-R253 PolarHBondContact OE1-NH2 3.32Å; E242-R253 IonicContact OE1-CZ 3.44Å; E242-R253 IonicContact OE1-NH1 3.52Å; E242-R253 PolarHBondContact OE1-NH1 2.87Å; E242-R253 IonicContact OE1-NH2 3.3Å; E242-R253 PolarHBondContact OE1-NH2 2.79Å; E242-R253 VanDerWaalsContact OE1-NH2 3.15Å; E242-R253 IonicContact OE2-CZ 2.72Å; E242-R253 IonicContact OE2-NH1 2.73Å; E242-R253 IonicContact OE2-NH2 3.83Å; E242-R253 PolarHBondContact OE2-NH2 2.86Å; R253-A279 VanDerWaalsContact CA-O 3.3Å; R253-A279 WeakPolarHBondContact CA-O 3.41Å; R253-A279 VanDerWaalsContact CD-O 3.27Å; R253-A279 WeakPolarHBondContact CD-O 3.23Å
254	V	98.9	Very high	94.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143	151.4	61.2	0	0	0	0	108	Y233 F234 F235 K278 A279 L281 I335 F339 V402	Y233-V254 HydrophobicContact CD1-CG2 4.1Å; F234-V254 CarbonylContact O-C 3.57Å; F234-V254 WeakPolarHBondContact O-CA 3.38Å; F235-V254 HydrophobicContact CD1-CB 4.03Å; F235-V254 HydrophobicContact CD1-CG2 4.07Å; F235-V254 HydrophobicContact CE1-CB 3.83Å; F235-V254 HydrophobicContact CE1-CG2 3.61Å; F235-V254 HydrophobicContact CE2-CG2 4.38Å; F235-V254 HydrophobicContact CZ-CB 4.5Å; F235-V254 HydrophobicContact CZ-CG2 3.78Å; V254-K278 CarbonylContact O-C 3.54Å; V254-K278 VanDerWaalsContact O-CA 3.32Å; V254-K278 WeakPolarHBondContact O-CA 3.43Å; V254-A279 HydrophobicContact CG1-CB 4.47Å; V254-A279 PolarHBondContact N-O 3.38Å; V254-A279 PolarHBondContact O-N 3.02Å; V254-L281 HydrophobicContact CB-CD1 4.44Å; V254-L281 HydrophobicContact CB-CD2 3.95Å; V254-L281 HydrophobicContact CB-CG 4.28Å; V254-L281 HydrophobicContact CG1-CD2 3.67Å; V254-L281 HydrophobicContact CG1-CG 4.24Å; V254-I335 HydrophobicContact CG1-CG2 4.23Å; V254-I335 HydrophobicContact CG2-CG2 3.98Å; V254-F339 HydrophobicContact CG1-CZ 4.32Å; V254-V402 HydrophobicContact CG1-CG2 3.82Å
255	A	98.9	Very high	95.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	141.5	175.7	0	0	0	0	0	111.5	Y233 F234 F236 F276 L277 K278	Y233-A255 CarbonylContact C-O 3.52Å; Y233-A255 VanDerWaalsContact CA-O 3.3Å; Y233-A255 WeakPolarHBondContact CA-O 3.29Å; F234-A255 PolarHBondContact N-O 3.08Å; F234-A255 PolarHBondContact O-N 3.31Å; F236-A255 HydrophobicContact CE1-CB 3.8Å; A255-F276 HydrophobicContact CB-CD2 4.47Å; A255-F276 HydrophobicContact CB-CE2 3.79Å; A255-F276 HydrophobicContact CB-CZ 4.31Å; A255-L277 CarbonylContact C-O 3.44Å; A255-L277 WeakPolarHBondContact CA-O 3.3Å; A255-L277 VanDerWaalsContact CB-O 3.24Å; A255-L277 WeakPolarHBondContact CB-O 3.26Å; A255-K278 HydrophobicContact CB-CB 3.68Å
256	Q	98.7	Very high	95.9	Very high	7 Å²	7	38 Å²	38	3%	0.033	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	152.1	177.3	69.1	171.6	38.7	0	0	112	Y231 Y233 F276 L277 F339 G367	Y231-Q256 HydrophobicContact CD1-CB 4Å; Y231-Q256 HydrophobicContact CD1-CG 4.24Å; Y231-Q256 HydrophobicContact CE1-CG 4.44Å; Y231-Q256 VanDerWaalsContact CE1-NE2 3.29Å; Y233-Q256 HydrophobicContact CD1-CB 3.87Å; Y233-Q256 HydrophobicContact CE1-CB 3.64Å; Q256-F276 WeakPolarHBondContact O-CA 3.4Å; Q256-L277 HydrophobicContact CG-CB 4.26Å; Q256-L277 PolarHBondContact N-O 2.91Å; Q256-L277 PolarHBondContact O-N 2.97Å; Q256-F339 HydrophobicContact CB-CD2 4.35Å; Q256-F339 HydrophobicContact CB-CE2 4.15Å; Q256-F339 HydrophobicContact CB-CZ 4.36Å; Q256-F339 HydrophobicContact CG-CD1 4.05Å; Q256-F339 HydrophobicContact CG-CD2 4.08Å; Q256-F339 HydrophobicContact CG-CE1 4.18Å; Q256-F339 HydrophobicContact CG-CE2 4.21Å; Q256-F339 HydrophobicContact CG-CG 4Å; Q256-F339 HydrophobicContact CG-CZ 4.26Å; Q256-F339 VanDerWaalsContact OE1-CG 3.26Å; Q256-G367 PolarHBondContact NE2-O 3.05Å
257	V	98.9	Very high	96.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	145.7	158.8	-62.9	0	0	0	0	109.5	Y183 Y231 I232 F234 W273 S275 F276	Y183-V257 HydrophobicContact CD1-CG2 4.44Å; Y183-V257 HydrophobicContact CE1-CG2 4.26Å; Y231-V257 CarbonylContact C-O 3.57Å; Y231-V257 VanDerWaalsContact CA-O 3.26Å; Y231-V257 WeakPolarHBondContact CA-O 3.31Å; I232-V257 HydrophobicContact CB-CG2 4.05Å; I232-V257 PolarHBondContact N-O 2.94Å; I232-V257 PolarHBondContact O-N 2.69Å; I232-V257 VanDerWaalsContact O-N 3.1Å; F234-V257 HydrophobicContact CD2-CG2 4.49Å; F234-V257 HydrophobicContact CE2-CG2 3.84Å; V257-W273 HydrophobicContact CB-CD2 4.31Å; V257-W273 HydrophobicContact CB-CE3 3.84Å; V257-W273 HydrophobicContact CB-CH2 4.25Å; V257-W273 HydrophobicContact CB-CZ3 3.81Å; V257-W273 HydrophobicContact CG1-CD2 3.83Å; V257-W273 HydrophobicContact CG1-CE3 3.88Å; V257-W273 HydrophobicContact CG1-CG 4.19Å; V257-W273 HydrophobicContact CG1-CH2 4.5Å; V257-W273 HydrophobicContact CG1-CZ2 4.49Å; V257-W273 HydrophobicContact CG1-CZ3 4.22Å; V257-W273 HydrophobicContact CG2-CE3 4.36Å; V257-W273 HydrophobicContact CG2-CH2 3.86Å; V257-W273 HydrophobicContact CG2-CZ2 4.39Å; V257-W273 HydrophobicContact CG2-CZ3 3.86Å; V257-S275 WeakPolarHBondContact CA-OG 3.43Å; V257-F276 HydrophobicContact CG1-CB 4.2Å; V257-F276 HydrophobicContact CG1-CD2 4.03Å
258	C	98.5	Very high	97.5	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.014	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	135.5	175.8	-68.1	0	0	0	0	111.3	Y231 N260 D261 S275 C369	Y231-C258 VanDerWaalsContact CE1-SG 3.53Å; C258-N260 PolarHBondContact O-N 3.03Å; C258-D261 HydrophobicContact CB-CB 4.25Å; C258-D261 WeakPolarHBondContact O-CB 3.15Å; C258-D261 PolarHBondContact O-N 2.69Å; C258-S275 PolarHBondContact N-OG 2.79Å; C258-S275 WeakPolarHBondContact SG-CB 3.38Å; C258-C369 HydrophobicContact CB-CB 3.86Å; C258-C369 WeakPolarHBondContact CB-SG 3.33Å; C258-C369 WeakPolarHBondContact SG-CA 3.4Å; C258-C369 WeakPolarHBondContact SG-CB 3.35Å; C258-C369 CovalentContact SG-SG 2.04Å; C258-C369 PolarHBondContact SG-SG 2.7Å
259	K	98.1	Very high	97.9	Very high	28 Å²	28	32 Å²	32	12%	0.122	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-30.5	175.7	-72.1	171.2	171.7	-176.4	0	113.4	K181 Y183 R199 D227 G229 D230 I232	K181-K259 PolarHBondContact NZ-O 2.97Å; Y183-K259 WeakPolarHBondContact OH-CA 3.35Å; Y183-K259 PolarHBondContact OH-O 2.92Å; R199-K259 PolarHBondContact NH1-O 3.24Å; D227-K259 VanDerWaalsContact CG-CE 3.43Å; D227-K259 VanDerWaalsContact OD1-CE 3.32Å; D227-K259 WeakPolarHBondContact OD1-CE 3.35Å; D227-K259 IonicContact OD1-NZ 3.17Å; D227-K259 PolarHBondContact OD1-NZ 2.97Å; D227-K259 WeakPolarHBondContact OD2-CE 3.44Å; D227-K259 IonicContact OD2-NZ 2.73Å; D227-K259 PolarHBondContact OD2-NZ 3.46Å; G229-K259 VanDerWaalsContact O-CE 3.23Å; G229-K259 WeakPolarHBondContact O-CE 3.36Å; G229-K259 PolarHBondContact O-NZ 2.59Å; D230-K259 WeakPolarHBondContact O-CB 3.5Å; D230-K259 WeakPolarHBondContact O-CG 3.39Å; D230-K259 PolarHBondContact O-N 2.8Å; I232-K259 HydrophobicContact CD1-CG 4.1Å; I232-K259 HydrophobicContact CG1-CG 4.16Å
260	N	97.1	Very high	98.1	Very high	69 Å²	69	34.9 Å²	34.9	37%	0.369	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	9.5	179.5	74.8	-12.7	0	0	0	114.4	C258 M262 A370	C258-N260 PolarHBondContact O-N 3.03Å; N260-M262 PolarHBondContact O-N 2.94Å; N260-A370 PolarHBondContact ND2-O 3.08Å
261	D	98.3	Very high	98	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	18%	0.178	C	C	.	.			trans	-58.4	129.6	174.2	-162.5	-28.7	0	0	0	109.7	R199 L207 C258 G263 W273 T274 S275 S381	R199-D261 PolarHBondContact NH1-O 2.86Å; R199-D261 PolarHBondContact NH2-O 2.76Å; L207-D261 HydrophobicContact CD1-CB 3.84Å; L207-D261 WeakPolarHBondContact CD1-O 3.38Å; C258-D261 HydrophobicContact CB-CB 4.25Å; C258-D261 WeakPolarHBondContact O-CB 3.15Å; C258-D261 PolarHBondContact O-N 2.69Å; D261-G263 PolarHBondContact OD1-N 3.13Å; D261-W273 HydrophobicContact CB-CE3 4Å; D261-W273 HydrophobicContact CB-CZ3 4.11Å; D261-T274 PolarHBondContact OD1-N 3.05Å; D261-T274 PolarHBondContact OD1-OG1 2.98Å; D261-T274 PolarHBondContact OD2-N 3.31Å; D261-T274 PolarHBondContact OD2-OG1 3.07Å; D261-T274 VanDerWaalsContact OD2-OG1 3.11Å; D261-S275 WeakPolarHBondContact OD2-CB 3.36Å; D261-S275 PolarHBondContact OD2-N 2.66Å; D261-S275 PolarHBondContact OD2-OG 3.06Å; D261-S381 PolarHBondContact OD1-OG 2.04Å
262	M	98	Very high	98.1	Very high	60 Å²	60	40.6 Å²	40.6	30%	0.296	19%	0.186	S	C	.	.			trans	-110.7	-2.7	-179.4	-66	-62.2	-79.2	0	0	112.5	P205 N260 T380 S381 N382	P205-M262 HydrophobicContact CG-CB 4.32Å; P205-M262 HydrophobicContact CG-CE 3.99Å; P205-M262 WeakPolarHBondContact CG-O 3.21Å; P205-M262 HydrophobicContact CG-SD 4Å; N260-M262 PolarHBondContact O-N 2.94Å; M262-T380 HydrophobicContact CG-CG2 4.22Å; M262-S381 WeakPolarHBondContact CA-OG 3.49Å; M262-S381 PolarHBondContact N-OG 3.46Å; M262-N382 VanDerWaalsContact CB-OD1 3.23Å; M262-N382 WeakPolarHBondContact CB-OD1 3.43Å; M262-N382 PolarHBondContact O-OD1 3.04Å
263	G	97.9	Very high	98.1	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.01	19%	0.186	C	C	.	.			trans	98.9	172.3	-169.2	0	0	0	0	0	112.6	D261 Q272 T274 S381 N382	D261-G263 PolarHBondContact OD1-N 3.13Å; G263-Q272 WeakPolarHBondContact CA-O 3.2Å; G263-T274 VanDerWaalsContact O-CG2 3.25Å; G263-T274 WeakPolarHBondContact O-CG2 3.41Å; G263-S381 PolarHBondContact N-OG 2.93Å; G263-S381 CarbonylContact O-C 3.51Å; G263-S381 VanDerWaalsContact O-C 3.27Å; G263-S381 WeakPolarHBondContact O-CB 3.04Å; G263-S381 PolarHBondContact O-OG 2.86Å; G263-N382 PolarHBondContact O-N 2.86Å; G263-N382 PolarHBondContact O-OD1 3.34Å
264	G	97.7	Very high	98.1	Very high	6 Å²	6	40.8 Å²	40.8	6%	0.062	19%	0.187	C	C	.	.			trans	-86.2	-177.2	179.4	0	0	0	0	0	113.9	V268 L269 T274	G264-V268 CarbonylContact C-O 3.52Å; G264-V268 VanDerWaalsContact CA-O 3.3Å; G264-V268 WeakPolarHBondContact CA-O 3.47Å; G264-L269 WeakPolarHBondContact CA-O 3.23Å; G264-L269 PolarHBondContact N-O 2.66Å; G264-T274 VanDerWaalsContact CA-CG2 3.44Å
265	S	97.3	Very high	98	Very high	11 Å²	11	40.8 Å²	40.8	8%	0.077	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-64.1	164.5	176.3	82.9	0	0	0	0	111.7	R267 V268 D386	S265-R267 PolarHBondContact O-N 3.25Å; S265-R267 PolarHBondContact OG-N 3.44Å; S265-V268 PolarHBondContact N-O 3.39Å; S265-V268 VanDerWaalsContact N-O 3.08Å; S265-V268 CarbonylContact O-C 3.58Å; S265-V268 PolarHBondContact O-N 3.02Å; S265-V268 VanDerWaalsContact O-N 3.15Å; S265-V268 VanDerWaalsContact O-O 3.09Å; S265-V268 PolarHBondContact OG-N 2.91Å; S265-D386 PolarHBondContact OG-OD1 3.2Å
266	Q	96.5	Very high	98	Very high	189 Å²	189	40.8 Å²	40.8	88%	0.883	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-13.4	173.9	-65.9	178	-7.8	0	0	114.1
267	R	97.5	Very high	98	Very high	191 Å²	191	40.5 Å²	40.5	72%	0.721	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	-27.8	-179	-60.7	180	-60.2	-102.8	-8.2	112.7	S265 D386	S265-R267 PolarHBondContact O-N 3.25Å; S265-R267 PolarHBondContact OG-N 3.44Å; R267-D386 IonicContact CZ-OD1 3.54Å; R267-D386 IonicContact CZ-OD2 2.76Å; R267-D386 IonicContact NE-OD1 2.72Å; R267-D386 PolarHBondContact NE-OD1 3.1Å; R267-D386 IonicContact NE-OD2 3.45Å; R267-D386 PolarHBondContact NE-OD2 2.89Å; R267-D386 IonicContact NH2-OD1 2.87Å; R267-D386 PolarHBondContact NH2-OD1 2.95Å; R267-D386 IonicContact NH2-OD2 2.94Å
268	V	98.1	Very high	98	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.036	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-145.8	126.5	-170.3	-164.5	0	0	0	0	110.6	G264 S265 E270 D386 L389 N390 K393	G264-V268 CarbonylContact C-O 3.52Å; G264-V268 VanDerWaalsContact CA-O 3.3Å; G264-V268 WeakPolarHBondContact CA-O 3.47Å; S265-V268 PolarHBondContact N-O 3.39Å; S265-V268 VanDerWaalsContact N-O 3.08Å; S265-V268 CarbonylContact O-C 3.58Å; S265-V268 PolarHBondContact O-N 3.02Å; S265-V268 VanDerWaalsContact O-N 3.15Å; S265-V268 VanDerWaalsContact O-O 3.09Å; S265-V268 PolarHBondContact OG-N 2.91Å; V268-E270 VanDerWaalsContact C-N 3.28Å; V268-E270 PolarHBondContact O-N 3.34Å; V268-D386 HydrophobicContact CG2-CB 4.08Å; V268-L389 HydrophobicContact CB-CB 3.78Å; V268-L389 HydrophobicContact CB-CD1 4.2Å; V268-L389 HydrophobicContact CG1-CB 3.57Å; V268-N390 WeakPolarHBondContact CG2-ND2 3.27Å; V268-K393 HydrophobicContact CG1-CD 4.43Å
269	L	97.9	Very high	98.1	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	19%	0.185	C	C	.	.	S	Bend	trans	59.5	27	178.5	-63.7	168.7	0	0	0	115.2	V210 W216 G264 K271 Q272 L389 I392 K393	V210-L269 HydrophobicContact CG2-CD2 3.95Å; W216-L269 HydrophobicContact CH2-CD2 4.08Å; W216-L269 HydrophobicContact CZ2-CD2 3.84Å; G264-L269 WeakPolarHBondContact CA-O 3.23Å; G264-L269 PolarHBondContact N-O 2.66Å; L269-K271 PolarHBondContact O-N 2.67Å; L269-Q272 HydrophobicContact CB-CB 4.13Å; L269-Q272 HydrophobicContact CD2-CB 3.85Å; L269-Q272 PolarHBondContact O-N 2.79Å; L269-Q272 VanDerWaalsContact O-O 3.08Å; L269-L389 HydrophobicContact CD1-CB 4.29Å; L269-L389 HydrophobicContact CD1-CD2 4.16Å; L269-L389 WeakPolarHBondContact CD1-O 3.42Å; L269-I392 HydrophobicContact CD1-CG2 3.59Å; L269-K393 HydrophobicContact CD1-CB 4.15Å; L269-K393 HydrophobicContact CD2-CB 4.08Å; L269-K393 HydrophobicContact CD2-CD 4.13Å; L269-K393 HydrophobicContact CD2-CG 4.03Å; L269-K393 HydrophobicContact CG-CB 4.25Å; L269-K393 HydrophobicContact CG-CD 4.39Å
270	E	97.3	Very high	98.1	Very high	103 Å²	103	40.7 Å²	40.7	48%	0.481	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	127.1	171.1	-158.4	-140	146.9	0	0	110.7	V268 Q272	V268-E270 VanDerWaalsContact C-N 3.28Å; V268-E270 PolarHBondContact O-N 3.34Å; E270-Q272 PolarHBondContact O-N 3.24Å; E270-Q272 VanDerWaalsContact O-N 3.12Å
271	K	97.5	Very high	98.2	Very high	127 Å²	127	37.5 Å²	37.5	55%	0.552	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	19.5	-175.1	-60	153.5	178.9	140.1	0	114.6	R208 L269	R208-K271 PolarHBondContact N-O 3.22Å; L269-K271 PolarHBondContact O-N 2.67Å
272	Q	98.8	Very high	98.2	Very high	46 Å²	46	38.7 Å²	38.7	22%	0.215	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-122.6	153.2	177.2	-65.2	171.1	-15.1	0	0	109.7	R208 G263 L269 E270 T274	R208-Q272 VanDerWaalsContact O-CA 3.28Å; R208-Q272 WeakPolarHBondContact O-CA 3.39Å; G263-Q272 WeakPolarHBondContact CA-O 3.2Å; L269-Q272 HydrophobicContact CB-CB 4.13Å; L269-Q272 HydrophobicContact CD2-CB 3.85Å; L269-Q272 PolarHBondContact O-N 2.79Å; L269-Q272 VanDerWaalsContact O-O 3.08Å; E270-Q272 PolarHBondContact O-N 3.24Å; E270-Q272 VanDerWaalsContact O-N 3.12Å; Q272-T274 PolarHBondContact O-N 3.1Å
273	W	98.8	Very high	98.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.161	C	C	.	.			trans	-59.1	137.4	-179.5	-61.2	109	0	0	0	112.1	Y183 I197 R199 L207 R208 W216 V257 D261 F276	Y183-W273 HydrophobicContact CD1-CH2 4.01Å; Y183-W273 AromaticContact CE1-CH2 3.77Å; Y183-W273 HydrophobicContact CE1-CH2 3.77Å; Y183-W273 HydrophobicContact CE1-CZ3 4.43Å; I197-W273 PolarHBondContact O-NE1 3.25Å; R199-W273 HydrophobicContact CB-CH2 3.47Å; R199-W273 VanDerWaalsContact CB-CH2 3.47Å; R199-W273 HydrophobicContact CB-CZ2 3.67Å; R199-W273 HydrophobicContact CG-CH2 4.29Å; L207-W273 HydrophobicContact CB-CD2 3.9Å; L207-W273 HydrophobicContact CB-CE3 4.02Å; L207-W273 HydrophobicContact CB-CH2 4.33Å; L207-W273 HydrophobicContact CB-CZ2 4.19Å; L207-W273 HydrophobicContact CB-CZ3 4.24Å; L207-W273 HydrophobicContact CD1-CD2 4.29Å; L207-W273 HydrophobicContact CD1-CE3 3.63Å; L207-W273 HydrophobicContact CD1-CZ3 3.82Å; R208-W273 PolarHBondContact O-N 2.88Å; W216-W273 HydrophobicContact CH2-CB 4.33Å; W216-W273 WeakPolarHBondContact CH2-O 3.44Å; W216-W273 HydrophobicContact CZ3-CB 4.15Å; V257-W273 HydrophobicContact CB-CD2 4.31Å; V257-W273 HydrophobicContact CB-CE3 3.84Å; V257-W273 HydrophobicContact CB-CH2 4.25Å; V257-W273 HydrophobicContact CB-CZ3 3.81Å; V257-W273 HydrophobicContact CG1-CD2 3.83Å; V257-W273 HydrophobicContact CG1-CE3 3.88Å; V257-W273 HydrophobicContact CG1-CG 4.19Å; V257-W273 HydrophobicContact CG1-CH2 4.5Å; V257-W273 HydrophobicContact CG1-CZ2 4.49Å; V257-W273 HydrophobicContact CG1-CZ3 4.22Å; V257-W273 HydrophobicContact CG2-CE3 4.36Å; V257-W273 HydrophobicContact CG2-CH2 3.86Å; V257-W273 HydrophobicContact CG2-CZ2 4.39Å; V257-W273 HydrophobicContact CG2-CZ3 3.86Å; D261-W273 HydrophobicContact CB-CE3 4Å; D261-W273 HydrophobicContact CB-CZ3 4.11Å; W273-F276 HydrophobicContact CB-CB 3.75Å; W273-F276 HydrophobicContact CG-CB 4.34Å
274	T	98.6	Very high	98.2	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.031	16%	0.161	C	C	.	.	S	Bend	trans	-102.2	-9	172.9	62.1	0	0	0	0	113.1	D261 G263 G264 Q272 S381 L389 I392	D261-T274 PolarHBondContact OD1-N 3.05Å; D261-T274 PolarHBondContact OD1-OG1 2.98Å; D261-T274 PolarHBondContact OD2-N 3.31Å; D261-T274 PolarHBondContact OD2-OG1 3.07Å; D261-T274 VanDerWaalsContact OD2-OG1 3.11Å; G263-T274 VanDerWaalsContact O-CG2 3.25Å; G263-T274 WeakPolarHBondContact O-CG2 3.41Å; G264-T274 VanDerWaalsContact CA-CG2 3.44Å; Q272-T274 PolarHBondContact O-N 3.1Å; T274-S381 WeakPolarHBondContact OG1-CB 3.32Å; T274-L389 HydrophobicContact CG2-CD2 3.54Å; T274-I392 WeakPolarHBondContact O-CD1 3.35Å
275	S	98.6	Very high	98.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	16%	0.163	C	C	.	.	S	Bend	trans	-114	-1.6	-175.2	57.2	0	0	0	0	114.6	V257 C258 D261 L277	V257-S275 WeakPolarHBondContact CA-OG 3.43Å; C258-S275 PolarHBondContact N-OG 2.79Å; C258-S275 WeakPolarHBondContact SG-CB 3.38Å; D261-S275 WeakPolarHBondContact OD2-CB 3.36Å; D261-S275 PolarHBondContact OD2-N 2.66Å; D261-S275 PolarHBondContact OD2-OG 3.06Å; S275-L277 PolarHBondContact O-N 2.97Å
276	F	98.9	Very high	97.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.181	C	C	.	.			trans	-69.6	111.5	-174.8	179.5	-98.9	0	0	0	112.6	I197 T209 W216 L217 A255 Q256 V257 W273 K278 P396	I197-F276 HydrophobicContact CD1-CE2 3.86Å; T209-F276 HydrophobicContact CG2-CD2 4.26Å; T209-F276 HydrophobicContact CG2-CE2 4.21Å; T209-F276 HydrophobicContact CG2-CZ 4.41Å; W216-F276 HydrophobicContact CB-CE1 4.37Å; W216-F276 AromaticContact CD2-CD1 3.93Å; W216-F276 HydrophobicContact CD2-CD1 3.93Å; W216-F276 HydrophobicContact CD2-CE1 4.23Å; W216-F276 HydrophobicContact CE3-CB 4.31Å; W216-F276 AromaticContact CE3-CD1 3.3Å; W216-F276 HydrophobicContact CE3-CD1 3.3Å; W216-F276 AromaticContact CE3-CE1 3.76Å; W216-F276 HydrophobicContact CE3-CE1 3.76Å; W216-F276 AromaticContact CE3-CG 3.91Å; W216-F276 HydrophobicContact CE3-CG 3.91Å; W216-F276 HydrophobicContact CH2-CB 4.09Å; W216-F276 HydrophobicContact CH2-CD1 4.31Å; W216-F276 HydrophobicContact CZ3-CB 3.63Å; W216-F276 AromaticContact CZ3-CD1 3.53Å; W216-F276 HydrophobicContact CZ3-CD1 3.53Å; W216-F276 HydrophobicContact CZ3-CE1 4.42Å; W216-F276 AromaticContact CZ3-CG 3.73Å; W216-F276 HydrophobicContact CZ3-CG 3.73Å; L217-F276 HydrophobicContact CD2-CZ 4.41Å; A255-F276 HydrophobicContact CB-CD2 4.47Å; A255-F276 HydrophobicContact CB-CE2 3.79Å; A255-F276 HydrophobicContact CB-CZ 4.31Å; Q256-F276 WeakPolarHBondContact O-CA 3.4Å; V257-F276 HydrophobicContact CG1-CB 4.2Å; V257-F276 HydrophobicContact CG1-CD2 4.03Å; W273-F276 HydrophobicContact CB-CB 3.75Å; W273-F276 HydrophobicContact CG-CB 4.34Å; F276-K278 HydrophobicContact CZ-CD 4.47Å; F276-P396 HydrophobicContact CD1-CB 4.03Å; F276-P396 HydrophobicContact CE1-CB 4.11Å
277	L	98.9	Very high	97.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.6	170.5	-64.4	177.5	0	0	0	109.7	A255 Q256 S275 F339 F343 I392 P396 M398	A255-L277 CarbonylContact C-O 3.44Å; A255-L277 WeakPolarHBondContact CA-O 3.3Å; A255-L277 VanDerWaalsContact CB-O 3.24Å; A255-L277 WeakPolarHBondContact CB-O 3.26Å; Q256-L277 HydrophobicContact CG-CB 4.26Å; Q256-L277 PolarHBondContact N-O 2.91Å; Q256-L277 PolarHBondContact O-N 2.97Å; S275-L277 PolarHBondContact O-N 2.97Å; L277-F339 HydrophobicContact CB-CD1 3.61Å; L277-F339 HydrophobicContact CB-CE1 3.79Å; L277-F339 HydrophobicContact CD1-CD1 4.23Å; L277-F339 WeakPolarHBondContact O-CE1 3.48Å; L277-F343 HydrophobicContact CD1-CE1 3.85Å; L277-F343 HydrophobicContact CD1-CZ 4.5Å; L277-F343 HydrophobicContact CD2-CD1 4.2Å; L277-F343 HydrophobicContact CD2-CE1 3.71Å; L277-F343 HydrophobicContact CG-CE1 4.46Å; L277-I392 HydrophobicContact CD2-CD1 3.92Å; L277-I392 HydrophobicContact CD2-CG1 3.72Å; L277-I392 HydrophobicContact CG-CD1 4.14Å; L277-I392 HydrophobicContact CG-CG1 4.47Å; L277-P396 CarbonylContact C-O 3.53Å; L277-P396 WeakPolarHBondContact CA-O 3.37Å; L277-M398 HydrophobicContact CB-SD 4.26Å; L277-M398 HydrophobicContact CD1-SD 3.94Å; L277-M398 HydrophobicContact CD2-SD 4.22Å; L277-M398 HydrophobicContact CG-SD 4.38Å
278	K	98.9	Very high	97	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.4	174.4	71.8	-175	172.7	-176.5	0	112.7	K215 W216 F236 E238 V254 A255 F276 P396 L397 M398	K215-K278 WeakPolarHBondContact O-CE 3.47Å; K215-K278 PolarHBondContact O-NZ 2.94Å; W216-K278 PolarHBondContact O-NZ 2.89Å; F236-K278 HydrophobicContact CZ-CD 4.03Å; E238-K278 VanDerWaalsContact OE1-CE 3.24Å; E238-K278 WeakPolarHBondContact OE1-CE 3.41Å; E238-K278 IonicContact OE1-NZ 3.68Å; E238-K278 PolarHBondContact OE1-NZ 2.88Å; E238-K278 IonicContact OE2-NZ 3.71Å; E238-K278 PolarHBondContact OE2-NZ 2.95Å; V254-K278 CarbonylContact O-C 3.54Å; V254-K278 VanDerWaalsContact O-CA 3.32Å; V254-K278 WeakPolarHBondContact O-CA 3.43Å; A255-K278 HydrophobicContact CB-CB 3.68Å; F276-K278 HydrophobicContact CZ-CD 4.47Å; K278-P396 WeakPolarHBondContact CG-O 3.13Å; K278-P396 PolarHBondContact N-O 3Å; K278-L397 HydrophobicContact CG-CD1 4.09Å; K278-L397 WeakPolarHBondContact O-CA 3.41Å; K278-M398 PolarHBondContact O-N 2.92Å
279	A	98.9	Very high	96.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	159.5	175.6	0	0	0	0	0	110.8	R253 V254 V338 F339 M398 V402	R253-A279 VanDerWaalsContact CA-O 3.3Å; R253-A279 WeakPolarHBondContact CA-O 3.41Å; R253-A279 VanDerWaalsContact CD-O 3.27Å; R253-A279 WeakPolarHBondContact CD-O 3.23Å; V254-A279 HydrophobicContact CG1-CB 4.47Å; V254-A279 PolarHBondContact N-O 3.38Å; V254-A279 PolarHBondContact O-N 3.02Å; A279-V338 HydrophobicContact CB-CG1 3.58Å; A279-F339 HydrophobicContact CB-CE1 4.2Å; A279-F339 HydrophobicContact CB-CZ 4.26Å; A279-M398 HydrophobicContact CB-CB 4.22Å; A279-M398 HydrophobicContact CB-CG 4.28Å; A279-V402 HydrophobicContact CB-CG2 4.15Å
280	R	98.8	Very high	96.4	Very high	35 Å²	35	40.8 Å²	40.8	13%	0.132	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	140.9	170.2	-176.2	-179.5	-177	-137.7	-4.3	109.5	F251 P252 Y292 N294 A401 V402	F251-R280 HydrophobicContact CD2-CG 4.19Å; F251-R280 HydrophobicContact CG-CG 4.4Å; P252-R280 WeakPolarHBondContact O-CA 3.37Å; R280-Y292 VanDerWaalsContact NH1-CE1 3.34Å; R280-Y292 VanDerWaalsContact NH2-CG 3.3Å; R280-N294 PolarHBondContact NH2-OD1 3.48Å; R280-A401 HydrophobicContact CB-CB 3.86Å; R280-A401 HydrophobicContact CG-CB 4.22Å; R280-A401 CarbonylContact O-C 3.58Å; R280-A401 WeakPolarHBondContact O-CA 3.37Å; R280-V402 PolarHBondContact O-N 2.78Å
281	L	98.9	Very high	96.3	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132.1	168.1	-67.4	168.5	0	0	0	110	F235 P252 V254 F315 Y330 V402	F235-L281 HydrophobicContact CD1-CD1 3.98Å; F235-L281 HydrophobicContact CE1-CD1 4.4Å; P252-L281 HydrophobicContact CB-CB 4.22Å; P252-L281 HydrophobicContact CB-CD1 4.44Å; P252-L281 HydrophobicContact CG-CB 4.06Å; P252-L281 WeakPolarHBondContact CG-O 3.45Å; P252-L281 PolarHBondContact O-N 2.82Å; V254-L281 HydrophobicContact CB-CD1 4.44Å; V254-L281 HydrophobicContact CB-CD2 3.95Å; V254-L281 HydrophobicContact CB-CG 4.28Å; V254-L281 HydrophobicContact CG1-CD2 3.67Å; V254-L281 HydrophobicContact CG1-CG 4.24Å; L281-F315 HydrophobicContact CB-CE1 4.48Å; L281-F315 HydrophobicContact CB-CZ 4.46Å; L281-F315 HydrophobicContact CD1-CZ 4.44Å; L281-Y330 HydrophobicContact CB-CE1 4.22Å; L281-Y330 HydrophobicContact CD2-CD1 4.06Å; L281-Y330 HydrophobicContact CD2-CD2 4.46Å; L281-Y330 HydrophobicContact CD2-CE1 3.99Å; L281-Y330 HydrophobicContact CD2-CE2 4.4Å; L281-Y330 HydrophobicContact CD2-CG 4.3Å; L281-V402 HydrophobicContact CD2-CB 4.06Å; L281-V402 HydrophobicContact CD2-CG2 4.23Å
282	N	98.5	Very high	96.3	Very high	25 Å²	25	38.1 Å²	38.1	13%	0.134	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	94	179.6	-169.6	19.7	0	0	0	113.2	S284 Y292 Y330 A401 V402 S404	N282-S284 PolarHBondContact OD1-OG 2.88Å; N282-Y292 WeakPolarHBondContact OD1-CD1 3.3Å; N282-Y292 WeakPolarHBondContact OD1-CE1 3.47Å; N282-Y330 VanDerWaalsContact C-OH 3.32Å; N282-Y330 PolarHBondContact O-OH 2.92Å; N282-A401 HydrophobicContact CB-CB 4.25Å; N282-V402 VanDerWaalsContact CB-O 3.23Å; N282-V402 WeakPolarHBondContact CB-O 3.34Å; N282-V402 PolarHBondContact N-O 2.89Å; N282-S404 VanDerWaalsContact O-CB 3.3Å; N282-S404 WeakPolarHBondContact O-CB 3.24Å; N282-S404 PolarHBondContact O-OG 3.17Å
283	C	98.4	Very high	96.3	Very high	1 Å²	1	36 Å²	36	1%	0.007	20%	0.201	C	C	.	.			trans	-106.9	101.5	164.8	-164.7	0	0	0	0	109.8	F293 F315 C328 Y330	C283-F293 PolarHBondContact O-N 3.31Å; C283-F315 HydrophobicContact CB-CD1 4.2Å; C283-F315 HydrophobicContact CB-CD2 3.7Å; C283-F315 HydrophobicContact CB-CE1 4.27Å; C283-F315 HydrophobicContact CB-CE2 3.79Å; C283-F315 HydrophobicContact CB-CG 3.94Å; C283-F315 HydrophobicContact CB-CZ 4.09Å; C283-F315 WeakPolarHBondContact SG-CD2 3.07Å; C283-C328 WeakPolarHBondContact CA-SG 3.3Å; C283-C328 HydrophobicContact CB-CB 3.75Å; C283-C328 WeakPolarHBondContact CB-SG 3.4Å; C283-C328 WeakPolarHBondContact SG-CB 3.44Å; C283-C328 CovalentContact SG-SG 2.04Å; C283-C328 PolarHBondContact SG-SG 2.92Å; C283-Y330 WeakPolarHBondContact CB-OH 3.25Å; C283-Y330 PolarHBondContact N-OH 2.72Å
284	S	97.1	Very high	96.2	Very high	1 Å²	1	37 Å²	37	1%	0.007	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	143.7	-176.2	63.8	0	0	0	0	113.2	N282 F291 P409	N282-S284 PolarHBondContact OD1-OG 2.88Å; S284-F291 CarbonylContact C-O 3.59Å; S284-F291 WeakPolarHBondContact CA-O 3.21Å; S284-F291 WeakPolarHBondContact CB-O 3.45Å; S284-P409 WeakPolarHBondContact O-CD 3.41Å
285	V	95.6	Very high	96.2	Very high	17 Å²	17	37.2 Å²	37.2	10%	0.103	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	123.6	160.7	173.4	0	0	0	0	108	F20 P21 F291 F293 P409 L412	F20-V285 HydrophobicContact CD2-CG1 4.49Å; F20-V285 HydrophobicContact CE2-CB 3.98Å; F20-V285 HydrophobicContact CE2-CG1 4.21Å; F20-V285 HydrophobicContact CE2-CG2 3.93Å; F20-V285 HydrophobicContact CZ-CB 4.38Å; F20-V285 HydrophobicContact CZ-CG2 3.81Å; P21-V285 HydrophobicContact CG-CG1 4.17Å; V285-F291 PolarHBondContact N-O 2.96Å; V285-F291 PolarHBondContact O-N 3.25Å; V285-F293 HydrophobicContact CG2-CE2 4.23Å; V285-P409 HydrophobicContact CG2-CG 4.23Å; V285-L412 HydrophobicContact CG2-CD1 3.97Å; V285-L412 HydrophobicContact CG2-CD2 4.34Å
286	P	92.2	Very high	96.3	Very high	71 Å²	71	37.1 Å²	37.1	46%	0.461	21%	0.207	S	C	.	.			trans	-74.7	153.2	177.8	31.3	-35.1	0	0	0	111.8
287	G	88.9	Confident	96.2	Very high	46 Å²	46	38.5 Å²	38.5	47%	0.474	21%	0.213	S	C	.	.	S	Bend	trans	166.4	-176.5	-179.5	0	0	0	0	0	110.4	S289 H290	G287-S289 CarbonylContact O-C 3.51Å; G287-S289 PolarHBondContact O-N 3Å; G287-H290 PolarHBondContact O-ND1 2.81Å
288	D	87.3	Confident	96.2	Very high	178 Å²	178	39 Å²	39	95%	0.952	22%	0.218	S	C	*	.	S	Bend	trans	-47.7	-31.7	179.8	-66.7	-6.9	0	0	0	113.4
289	S	89.4	Confident	96.2	Very high	109 Å²	109	39.6 Å²	39.6	76%	0.762	22%	0.221	S	C	*	.	S	Bend	trans	-137.9	127.3	160.1	-72.8	0	0	0	0	108.8	G287 F291	G287-S289 CarbonylContact O-C 3.51Å; G287-S289 PolarHBondContact O-N 3Å; S289-F291 PolarHBondContact O-N 2.89Å
290	H	93.4	Very high	96.2	Very high	89 Å²	89	40.1 Å²	40.1	41%	0.412	23%	0.225	S	C	.	.			trans	-68.7	130.1	-175	-71.8	36.8	0	0	0	111.4	G287 Y292	G287-H290 PolarHBondContact O-ND1 2.81Å; H290-Y292 HydrophobicContact CB-CD2 4.36Å; H290-Y292 HydrophobicContact CB-CE1 4.44Å; H290-Y292 HydrophobicContact CB-CE2 3.7Å; H290-Y292 WeakPolarHBondContact O-CD2 3.46Å; H290-Y292 WeakPolarHBondContact O-CE2 3.5Å
291	F	96.1	Very high	96.2	Very high	92 Å²	92	43.1 Å²	43.1	40%	0.404	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	112.4	176.4	-173.8	-85.8	0	0	0	110.3	F20 S284 V285 S289 F293 T317	F20-F291 HydrophobicContact CE2-CB 3.98Å; F20-F291 AromaticContact CE2-CD1 3.75Å; F20-F291 HydrophobicContact CE2-CD1 3.75Å; F20-F291 HydrophobicContact CE2-CE1 4.39Å; F20-F291 AromaticContact CE2-CG 3.83Å; F20-F291 HydrophobicContact CE2-CG 3.83Å; F20-F291 HydrophobicContact CZ-CD1 4.22Å; S284-F291 CarbonylContact C-O 3.59Å; S284-F291 WeakPolarHBondContact CA-O 3.21Å; S284-F291 WeakPolarHBondContact CB-O 3.45Å; V285-F291 PolarHBondContact N-O 2.96Å; V285-F291 PolarHBondContact O-N 3.25Å; S289-F291 PolarHBondContact O-N 2.89Å; F291-F293 HydrophobicContact CD1-CD2 4.21Å; F291-F293 AromaticContact CD1-CE2 3.7Å; F291-F293 HydrophobicContact CD1-CE2 3.7Å; F291-F293 AromaticContact CD1-CZ 3.94Å; F291-F293 HydrophobicContact CD1-CZ 3.94Å; F291-F293 HydrophobicContact CE1-CD1 4.47Å; F291-F293 HydrophobicContact CE1-CD2 4.4Å; F291-F293 HydrophobicContact CE1-CE1 4Å; F291-F293 AromaticContact CE1-CE2 3.92Å; F291-F293 HydrophobicContact CE1-CE2 3.92Å; F291-F293 AromaticContact CE1-CZ 3.71Å; F291-F293 HydrophobicContact CE1-CZ 3.71Å; F291-T317 HydrophobicContact CE1-CG2 3.93Å; F291-T317 HydrophobicContact CZ-CG2 3.83Å
292	Y	97.5	Very high	96.1	Very high	83 Å²	83	44.9 Å²	44.9	33%	0.325	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129.8	-171.7	-63.2	-89.1	0	0	0	113.7	R280 N282 H290 N294	R280-Y292 VanDerWaalsContact NH1-CE1 3.34Å; R280-Y292 VanDerWaalsContact NH2-CG 3.3Å; N282-Y292 WeakPolarHBondContact OD1-CD1 3.3Å; N282-Y292 WeakPolarHBondContact OD1-CE1 3.47Å; H290-Y292 HydrophobicContact CB-CD2 4.36Å; H290-Y292 HydrophobicContact CB-CE1 4.44Å; H290-Y292 HydrophobicContact CB-CE2 3.7Å; H290-Y292 WeakPolarHBondContact O-CD2 3.46Å; H290-Y292 WeakPolarHBondContact O-CE2 3.5Å; Y292-N294 WeakPolarHBondContact CB-ND2 3.23Å; Y292-N294 PolarHBondContact O-N 3.24Å; Y292-N294 PolarHBondContact O-ND2 3.48Å
293	F	98.4	Very high	96	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	26%	0.255	C	S	.	.			trans	-92	91.8	170.1	-64.6	-96.2	0	0	0	109.4	F20 C283 V285 F291 F315 T317 A326 L412	F20-F293 HydrophobicContact CZ-CE2 4.35Å; F20-F293 HydrophobicContact CZ-CZ 4.05Å; C283-F293 PolarHBondContact O-N 3.31Å; V285-F293 HydrophobicContact CG2-CE2 4.23Å; F291-F293 HydrophobicContact CD1-CD2 4.21Å; F291-F293 AromaticContact CD1-CE2 3.7Å; F291-F293 HydrophobicContact CD1-CE2 3.7Å; F291-F293 AromaticContact CD1-CZ 3.94Å; F291-F293 HydrophobicContact CD1-CZ 3.94Å; F291-F293 HydrophobicContact CE1-CD1 4.47Å; F291-F293 HydrophobicContact CE1-CD2 4.4Å; F291-F293 HydrophobicContact CE1-CE1 4Å; F291-F293 AromaticContact CE1-CE2 3.92Å; F291-F293 HydrophobicContact CE1-CE2 3.92Å; F291-F293 AromaticContact CE1-CZ 3.71Å; F291-F293 HydrophobicContact CE1-CZ 3.71Å; F293-F315 HydrophobicContact CB-CB 3.58Å; F293-F315 HydrophobicContact CB-CG 4.49Å; F293-F315 WeakPolarHBondContact O-CB 3.49Å; F293-F315 WeakPolarHBondContact O-CD1 3.24Å; F293-T317 HydrophobicContact CD1-CG2 4.11Å; F293-T317 HydrophobicContact CE1-CG2 4.09Å; F293-A326 HydrophobicContact CB-CB 4.02Å; F293-A326 HydrophobicContact CD1-CB 3.75Å; F293-A326 HydrophobicContact CD2-CB 3.54Å; F293-A326 HydrophobicContact CE1-CB 4.04Å; F293-A326 HydrophobicContact CE2-CB 3.85Å; F293-A326 HydrophobicContact CG-CB 3.49Å; F293-A326 VanDerWaalsContact CG-CB 3.49Å; F293-A326 HydrophobicContact CZ-CB 4.08Å; F293-L412 HydrophobicContact CE1-CD2 4.45Å; F293-L412 HydrophobicContact CE2-CD2 3.76Å; F293-L412 HydrophobicContact CZ-CD2 3.57Å
294	N	98	Very high	95.8	Very high	22 Å²	22	52 Å²	52	12%	0.118	28%	0.281	C	S	.	.			trans	-90.5	-15.9	-169	-65.6	-66.8	0	0	0	115.3	V250 F251 P252 R280 Y292 L296 S316	V250-N294 VanDerWaalsContact O-CB 3.24Å; V250-N294 WeakPolarHBondContact O-CB 3.41Å; F251-N294 HydrophobicContact CD1-CB 4.44Å; F251-N294 WeakPolarHBondContact CD1-OD1 3.28Å; P252-N294 VanDerWaalsContact CD-O 3.28Å; P252-N294 WeakPolarHBondContact CD-O 3.37Å; R280-N294 PolarHBondContact NH2-OD1 3.48Å; Y292-N294 WeakPolarHBondContact CB-ND2 3.23Å; Y292-N294 PolarHBondContact O-N 3.24Å; Y292-N294 PolarHBondContact O-ND2 3.48Å; N294-L296 PolarHBondContact O-N 2.82Å; N294-S316 PolarHBondContact N-O 2.86Å
295	I	98.6	Very high	95.4	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	86.9	-176.4	-46.5	-56.2	0	0	0	109.7	V250 Q297 F315 S316 Y319	V250-I295 HydrophobicContact CB-CD1 3.88Å; V250-I295 HydrophobicContact CG1-CD1 3.79Å; I295-Q297 VanDerWaalsContact CG2-NE2 3.34Å; I295-Q297 PolarHBondContact O-N 3.23Å; I295-F315 CarbonylContact O-C 3.52Å; I295-F315 WeakPolarHBondContact O-CA 3.44Å; I295-S316 WeakPolarHBondContact CB-O 3.4Å; I295-S316 PolarHBondContact N-O 3.22Å; I295-S316 PolarHBondContact O-N 3.45Å; I295-Y319 HydrophobicContact CG2-CE2 4.01Å
296	L	98.9	Very high	94.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	130.1	173.4	178.4	69.9	0	0	0	111.4	V223 F235 R237 P252 N294 V299 A313 F315	V223-L296 HydrophobicContact CB-CD2 4.01Å; V223-L296 HydrophobicContact CB-CG 4.41Å; V223-L296 HydrophobicContact CG1-CD2 4.2Å; V223-L296 HydrophobicContact CG1-CG 4.19Å; V223-L296 HydrophobicContact CG2-CD2 3.95Å; V223-L296 HydrophobicContact CG2-CG 4.11Å; F235-L296 HydrophobicContact CB-CD2 4.16Å; R237-L296 HydrophobicContact CB-CB 4.49Å; R237-L296 PolarHBondContact NH1-O 2.67Å; P252-L296 HydrophobicContact CB-CB 3.93Å; N294-L296 PolarHBondContact O-N 2.82Å; L296-V299 HydrophobicContact CD1-CG2 3.76Å; L296-V299 HydrophobicContact CD2-CG2 4.04Å; L296-V299 HydrophobicContact CG-CG2 4.32Å; L296-A313 HydrophobicContact CD1-CB 3.82Å; L296-F315 HydrophobicContact CB-CD1 4.05Å; L296-F315 HydrophobicContact CB-CE1 4.02Å; L296-F315 HydrophobicContact CD1-CD1 4.04Å; L296-F315 HydrophobicContact CD1-CE1 3.58Å; L296-F315 HydrophobicContact CD1-CE2 4.25Å; L296-F315 HydrophobicContact CD1-CZ 3.69Å; L296-F315 HydrophobicContact CG-CE1 4.39Å
297	Q	98.6	Very high	94.5	Very high	28 Å²	28	54 Å²	54	13%	0.131	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-42.2	-176.7	-58.4	-64.1	-8.1	0	0	113.6	I295 T314 S316 Y319	I295-Q297 VanDerWaalsContact CG2-NE2 3.34Å; I295-Q297 PolarHBondContact O-N 3.23Å; Q297-T314 PolarHBondContact N-O 3.37Å; Q297-S316 PolarHBondContact NE2-OG 2.86Å; Q297-Y319 PolarHBondContact NE2-OH 3.08Å
298	A	98.8	Very high	94.6	Very high	12 Å²	12	56.8 Å²	56.8	10%	0.099	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	161.3	173.6	0	0	0	0	0	111.2	V223 A313 T314 T421 I423	V223-A298 VanDerWaalsContact CG1-CA 3.44Å; A298-A313 VanDerWaalsContact O-CA 3.3Å; A298-A313 WeakPolarHBondContact O-CA 3.19Å; A298-T314 WeakPolarHBondContact CB-OG1 3.23Å; A298-T314 PolarHBondContact N-OG1 2.8Å; A298-T314 PolarHBondContact O-N 2.92Å; A298-T314 PolarHBondContact O-OG1 3.44Å; A298-T421 WeakPolarHBondContact CB-O 3.32Å; A298-I423 HydrophobicContact CB-CG2 4.15Å
299	V	98.9	Very high	95	Very high	11 Å²	11	49.7 Å²	49.7	7%	0.067	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.7	169.8	-169	0	0	0	0	107.6	V223 Q224 F235 L296 V311 L312 A313	V223-V299 HydrophobicContact CG1-CG2 4.25Å; Q224-V299 HydrophobicContact CB-CB 3.94Å; Q224-V299 HydrophobicContact CB-CG2 4.47Å; Q224-V299 HydrophobicContact CG-CB 4.3Å; F235-V299 HydrophobicContact CB-CB 4.46Å; F235-V299 HydrophobicContact CB-CG2 3.71Å; F235-V299 HydrophobicContact CD1-CG1 4.2Å; F235-V299 HydrophobicContact CD1-CG2 3.97Å; F235-V299 HydrophobicContact CD2-CG1 4.27Å; F235-V299 HydrophobicContact CE1-CG1 4.31Å; F235-V299 HydrophobicContact CE2-CG1 4.37Å; F235-V299 HydrophobicContact CG-CB 4.31Å; F235-V299 HydrophobicContact CG-CG1 4.19Å; F235-V299 HydrophobicContact CG-CG2 3.83Å; F235-V299 HydrophobicContact CZ-CG1 4.4Å; L296-V299 HydrophobicContact CD1-CG2 3.76Å; L296-V299 HydrophobicContact CD2-CG2 4.04Å; L296-V299 HydrophobicContact CG-CG2 4.32Å; V299-V311 HydrophobicContact CG1-CB 3.8Å; V299-V311 HydrophobicContact CG1-CG1 4.39Å; V299-V311 HydrophobicContact CG1-CG2 4.11Å; V299-L312 CarbonylContact C-O 3.49Å; V299-L312 WeakPolarHBondContact CA-O 3.36Å; V299-A313 HydrophobicContact CB-CB 4.45Å; V299-A313 HydrophobicContact CG1-CB 4.27Å; V299-A313 HydrophobicContact CG2-CB 3.92Å
300	T	98.7	Very high	95.4	Very high	12 Å²	12	44.7 Å²	44.7	7%	0.074	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-72.1	168.6	169.9	61.6	0	0	0	0	111.7	L312 I423 V425	T300-L312 HydrophobicContact CG2-CB 4.06Å; T300-L312 PolarHBondContact N-O 2.66Å; T300-L312 PolarHBondContact OG1-N 2.7Å; T300-I423 HydrophobicContact CG2-CB 4.49Å; T300-I423 HydrophobicContact CG2-CD1 4.16Å; T300-I423 HydrophobicContact CG2-CG1 4.01Å; T300-I423 HydrophobicContact CG2-CG2 3.75Å; T300-V425 HydrophobicContact CG2-CG2 3.87Å
301	D	97.8	Very high	95.6	Very high	97 Å²	97	40.4 Å²	40.4	52%	0.519	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-66.3	172	153.5	-60.8	-49.9	0	0	0	110.7	Q224 I303	Q224-D301 PolarHBondContact NE2-OD1 3.43Å; D301-I303 PolarHBondContact O-N 2.83Å
302	V	98.2	Very high	95.7	Very high	40 Å²	40	36 Å²	36	24%	0.242	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-67.2	124.6	176.8	-177.6	0	0	0	0	109.5	V226 Y228 D309 V311 M332	V226-V302 HydrophobicContact CB-CG2 4.02Å; V226-V302 HydrophobicContact CG1-CG2 4.45Å; V226-V302 HydrophobicContact CG2-CG2 3.73Å; Y228-V302 HydrophobicContact CD2-CG1 4.03Å; Y228-V302 HydrophobicContact CD2-CG2 4.14Å; Y228-V302 HydrophobicContact CE2-CG1 4.12Å; V302-D309 HydrophobicContact CG1-CB 3.72Å; V302-V311 HydrophobicContact CG2-CG1 4.08Å; V302-M332 HydrophobicContact CG1-CG 3.97Å; V302-M332 HydrophobicContact CG2-CE 4.29Å; V302-M332 HydrophobicContact CG2-CG 4.18Å; V302-M332 HydrophobicContact CG2-SD 3.97Å
303	I	96.4	Very high	95.8	Very high	31 Å²	31	32.1 Å²	32.1	16%	0.159	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.2	179.7	61.3	175.4	0	0	0	111.5	D301 I305 V310 L312 V425 T427	D301-I303 PolarHBondContact O-N 2.83Å; I303-I305 HydrophobicContact CD1-CD1 3.75Å; I303-I305 HydrophobicContact CD1-CG1 4.33Å; I303-I305 HydrophobicContact CG1-CD1 4.15Å; I303-I305 HydrophobicContact CG1-CG1 4.37Å; I303-V310 HydrophobicContact CG1-CG2 3.99Å; I303-V310 WeakPolarHBondContact CG1-O 3.47Å; I303-V310 PolarHBondContact N-O 3.02Å; I303-V310 PolarHBondContact O-N 3.32Å; I303-L312 HydrophobicContact CD1-CD1 4.2Å; I303-V425 HydrophobicContact CD1-CB 3.72Å; I303-V425 HydrophobicContact CD1-CG1 3.58Å; I303-V425 HydrophobicContact CD1-CG2 3.84Å; I303-T427 HydrophobicContact CB-CG2 4.04Å; I303-T427 HydrophobicContact CD1-CG2 4.06Å; I303-T427 HydrophobicContact CG1-CG2 4.41Å
304	R	93.3	Very high	95.8	Very high	144 Å²	144	32 Å²	32	54%	0.543	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	112.3	179.6	-175.7	61	58	100.1	-3.5	110.2	G307 R308 D309	R304-G307 VanDerWaalsContact CD-C 3.42Å; R304-R308 WeakPolarHBondContact CA-O 3.34Å; R304-R308 WeakPolarHBondContact CD-O 3.45Å; R304-D309 IonicContact CZ-OD1 3.76Å; R304-D309 IonicContact CZ-OD2 2.73Å; R304-D309 IonicContact NE-OD1 2.85Å; R304-D309 PolarHBondContact NE-OD1 3.41Å; R304-D309 IonicContact NE-OD2 3.96Å; R304-D309 IonicContact NH2-OD1 3.8Å; R304-D309 PolarHBondContact NH2-OD1 2.88Å; R304-D309 IonicContact NH2-OD2 2.9Å; R304-D309 PolarHBondContact NH2-OD2 2.9Å
305	I	89.4	Confident	95.8	Very high	5 Å²	5	31 Å²	31	3%	0.026	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.5	174.2	-61.6	172.3	0	0	0	108.4	I303 G307 R308 V310 L312 T427 T436 L460	I303-I305 HydrophobicContact CD1-CD1 3.75Å; I303-I305 HydrophobicContact CD1-CG1 4.33Å; I303-I305 HydrophobicContact CG1-CD1 4.15Å; I303-I305 HydrophobicContact CG1-CG1 4.37Å; I305-G307 PolarHBondContact O-N 3.02Å; I305-G307 VanDerWaalsContact O-N 3.1Å; I305-R308 PolarHBondContact N-O 3.34Å; I305-R308 WeakPolarHBondContact O-CB 3.46Å; I305-R308 PolarHBondContact O-N 2.92Å; I305-V310 HydrophobicContact CB-CG2 4.23Å; I305-V310 HydrophobicContact CD1-CG2 3.79Å; I305-V310 HydrophobicContact CG1-CG2 4.14Å; I305-L312 HydrophobicContact CD1-CD1 4.15Å; I305-T427 HydrophobicContact CD1-CG2 4.47Å; I305-T427 HydrophobicContact CG1-CG2 3.85Å; I305-T436 HydrophobicContact CD1-CG2 3.79Å; I305-T436 HydrophobicContact CG1-CG2 4.19Å; I305-L460 HydrophobicContact CG2-CD1 4.03Å; I305-L460 HydrophobicContact CG2-CD2 4.4Å
306	N	81.6	Confident	95.8	Very high	64 Å²	64	30.6 Å²	30.6	34%	0.342	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	35.5	180	-61	14.8	0	0	0	114.5	R308 I454 G458	N306-R308 VanDerWaalsContact C-N 3.26Å; N306-R308 PolarHBondContact O-N 2.92Å; N306-I454 WeakPolarHBondContact ND2-CG2 3.39Å; N306-I454 VanDerWaalsContact OD1-CD1 3.23Å; N306-I454 WeakPolarHBondContact OD1-CD1 3.36Å; N306-I454 WeakPolarHBondContact OD1-CG1 3.4Å; N306-G458 PolarHBondContact ND2-O 2.92Å
307	G	85.9	Confident	95.8	Very high	61 Å²	61	30.8 Å²	30.8	63%	0.629	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.2	-8	-176.8	0	0	0	0	0	115.5	R304 I305	R304-G307 VanDerWaalsContact CD-C 3.42Å; I305-G307 PolarHBondContact O-N 3.02Å; I305-G307 VanDerWaalsContact O-N 3.1Å
308	R	90.7	Very high	95.7	Very high	105 Å²	105	31.8 Å²	31.8	40%	0.396	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	142.7	176.5	-65.2	170.3	173.2	-97.8	0.6	111.7	R304 I305 N306 V310 D331	R304-R308 WeakPolarHBondContact CA-O 3.34Å; R304-R308 WeakPolarHBondContact CD-O 3.45Å; I305-R308 PolarHBondContact N-O 3.34Å; I305-R308 WeakPolarHBondContact O-CB 3.46Å; I305-R308 PolarHBondContact O-N 2.92Å; N306-R308 VanDerWaalsContact C-N 3.26Å; N306-R308 PolarHBondContact O-N 2.92Å; R308-V310 HydrophobicContact CB-CG1 3.82Å; R308-D331 VanDerWaalsContact CD-OD2 3.29Å; R308-D331 WeakPolarHBondContact CD-OD2 3.34Å; R308-D331 WeakPolarHBondContact CG-OD2 3.34Å; R308-D331 IonicContact CZ-OD2 2.87Å; R308-D331 IonicContact NE-OD2 3.65Å; R308-D331 IonicContact NH1-OD2 3.03Å; R308-D331 PolarHBondContact NH1-OD2 3.16Å
309	D	96.9	Very high	95.4	Very high	30 Å²	30	37 Å²	37	16%	0.16	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.1	166.5	-72.5	-39	0	0	0	109.1	Y228 V302 R304 M332	Y228-D309 HydrophobicContact CE2-CB 3.78Å; Y228-D309 WeakPolarHBondContact CE2-OD2 3.47Å; Y228-D309 PolarHBondContact OH-OD2 3.1Å; V302-D309 HydrophobicContact CG1-CB 3.72Å; R304-D309 IonicContact CZ-OD1 3.76Å; R304-D309 IonicContact CZ-OD2 2.73Å; R304-D309 IonicContact NE-OD1 2.85Å; R304-D309 PolarHBondContact NE-OD1 3.41Å; R304-D309 IonicContact NE-OD2 3.96Å; R304-D309 IonicContact NH2-OD1 3.8Å; R304-D309 PolarHBondContact NH2-OD1 2.88Å; R304-D309 IonicContact NH2-OD2 2.9Å; R304-D309 PolarHBondContact NH2-OD2 2.9Å; D309-M332 HydrophobicContact CB-CB 4.26Å; D309-M332 HydrophobicContact CB-CG 4.09Å; D309-M332 WeakPolarHBondContact O-CG 3.21Å; D309-M332 PolarHBondContact O-N 3.46Å
310	V	96.8	Very high	95.2	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157	-174.2	-52.2	0	0	0	0	111.3	I303 I305 R308 L312 Y330 I405	I303-V310 HydrophobicContact CG1-CG2 3.99Å; I303-V310 WeakPolarHBondContact CG1-O 3.47Å; I303-V310 PolarHBondContact N-O 3.02Å; I303-V310 PolarHBondContact O-N 3.32Å; I305-V310 HydrophobicContact CB-CG2 4.23Å; I305-V310 HydrophobicContact CD1-CG2 3.79Å; I305-V310 HydrophobicContact CG1-CG2 4.14Å; R308-V310 HydrophobicContact CB-CG1 3.82Å; V310-L312 HydrophobicContact CG2-CD1 3.85Å; V310-Y330 CarbonylContact C-O 3.58Å; V310-Y330 VanDerWaalsContact CA-O 3.24Å; V310-Y330 WeakPolarHBondContact CA-O 3.45Å; V310-Y330 WeakPolarHBondContact CB-O 3.2Å; V310-I405 HydrophobicContact CB-CD1 4.16Å; V310-I405 HydrophobicContact CG1-CD1 3.55Å
311	V	98.5	Very high	95	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138.1	164.2	-68.2	0	0	0	0	109.7	F235 V299 V302 A329 Y330 M332 I335	F235-V311 HydrophobicContact CE1-CG2 4.14Å; F235-V311 HydrophobicContact CZ-CG2 3.88Å; V299-V311 HydrophobicContact CG1-CB 3.8Å; V299-V311 HydrophobicContact CG1-CG1 4.39Å; V299-V311 HydrophobicContact CG1-CG2 4.11Å; V302-V311 HydrophobicContact CG2-CG1 4.08Å; V311-A329 CarbonylContact O-C 3.6Å; V311-A329 VanDerWaalsContact O-CA 3.3Å; V311-A329 WeakPolarHBondContact O-CA 3.41Å; V311-Y330 PolarHBondContact N-O 2.71Å; V311-Y330 PolarHBondContact O-N 2.9Å; V311-M332 HydrophobicContact CG1-SD 3.94Å; V311-M332 HydrophobicContact CG2-SD 4.36Å; V311-I335 HydrophobicContact CG2-CD1 3.97Å
312	L	98.3	Very high	94.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	135.7	171.9	-84.9	62.1	0	0	0	109.2	V299 T300 I303 I305 V310 A329 W410 I423 V425 V438	V299-L312 CarbonylContact C-O 3.49Å; V299-L312 WeakPolarHBondContact CA-O 3.36Å; T300-L312 HydrophobicContact CG2-CB 4.06Å; T300-L312 PolarHBondContact N-O 2.66Å; T300-L312 PolarHBondContact OG1-N 2.7Å; I303-L312 HydrophobicContact CD1-CD1 4.2Å; I305-L312 HydrophobicContact CD1-CD1 4.15Å; V310-L312 HydrophobicContact CG2-CD1 3.85Å; L312-A329 HydrophobicContact CD1-CB 3.68Å; L312-A329 HydrophobicContact CG-CB 3.95Å; L312-W410 HydrophobicContact CD1-CH2 4.18Å; L312-W410 HydrophobicContact CD1-CZ3 4.02Å; L312-W410 HydrophobicContact CD2-CE3 4.2Å; L312-W410 HydrophobicContact CD2-CZ3 3.92Å; L312-W410 HydrophobicContact CG-CZ3 4.17Å; L312-I423 HydrophobicContact CB-CD1 3.6Å; L312-I423 HydrophobicContact CD2-CD1 4.2Å; L312-V425 HydrophobicContact CD2-CG2 4.17Å; L312-V438 HydrophobicContact CD2-CG1 4.39Å; L312-V438 HydrophobicContact CD2-CG2 3.79Å
313	A	98.8	Very high	94.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.3	-175	0	0	0	0	0	111.7	L296 A298 V299 F315 V327 C328 Y330	L296-A313 HydrophobicContact CD1-CB 3.82Å; A298-A313 VanDerWaalsContact O-CA 3.3Å; A298-A313 WeakPolarHBondContact O-CA 3.19Å; V299-A313 HydrophobicContact CB-CB 4.45Å; V299-A313 HydrophobicContact CG1-CB 4.27Å; V299-A313 HydrophobicContact CG2-CB 3.92Å; A313-F315 HydrophobicContact CB-CD2 4.36Å; A313-F315 HydrophobicContact CB-CE2 3.43Å; A313-F315 VanDerWaalsContact CB-CE2 3.43Å; A313-F315 HydrophobicContact CB-CZ 3.73Å; A313-F315 WeakPolarHBondContact O-CD2 3.48Å; A313-F315 WeakPolarHBondContact O-CE2 3.42Å; A313-V327 WeakPolarHBondContact O-CA 3.48Å; A313-C328 PolarHBondContact N-O 2.8Å; A313-C328 PolarHBondContact O-N 3.3Å; A313-Y330 HydrophobicContact CB-CD2 4.49Å; A313-Y330 HydrophobicContact CB-CE2 4.14Å
314	T	98.8	Very high	94.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.3	176.8	52.9	0	0	0	0	109.9	Q297 A298 V327 T421 I423 L440	Q297-T314 PolarHBondContact N-O 3.37Å; A298-T314 WeakPolarHBondContact CB-OG1 3.23Å; A298-T314 PolarHBondContact N-OG1 2.8Å; A298-T314 PolarHBondContact O-N 2.92Å; A298-T314 PolarHBondContact O-OG1 3.44Å; T314-V327 HydrophobicContact CG2-CG2 4.37Å; T314-T421 PolarHBondContact OG1-O 3.46Å; T314-I423 HydrophobicContact CG2-CB 4.12Å; T314-I423 HydrophobicContact CG2-CD1 4.45Å; T314-L440 HydrophobicContact CG2-CD2 4.18Å
315	F	98.9	Very high	95.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	154.2	-179.5	-58.6	-99.7	0	0	0	110.3	P252 L281 C283 F293 I295 L296 A313 S325 A326 C328 Y330	P252-F315 HydrophobicContact CB-CD1 4.23Å; P252-F315 HydrophobicContact CB-CE1 3.71Å; P252-F315 HydrophobicContact CG-CD1 4.34Å; P252-F315 HydrophobicContact CG-CE1 3.93Å; L281-F315 HydrophobicContact CB-CE1 4.48Å; L281-F315 HydrophobicContact CB-CZ 4.46Å; L281-F315 HydrophobicContact CD1-CZ 4.44Å; C283-F315 HydrophobicContact CB-CD1 4.2Å; C283-F315 HydrophobicContact CB-CD2 3.7Å; C283-F315 HydrophobicContact CB-CE1 4.27Å; C283-F315 HydrophobicContact CB-CE2 3.79Å; C283-F315 HydrophobicContact CB-CG 3.94Å; C283-F315 HydrophobicContact CB-CZ 4.09Å; C283-F315 WeakPolarHBondContact SG-CD2 3.07Å; F293-F315 HydrophobicContact CB-CB 3.58Å; F293-F315 HydrophobicContact CB-CG 4.49Å; F293-F315 WeakPolarHBondContact O-CB 3.49Å; F293-F315 WeakPolarHBondContact O-CD1 3.24Å; I295-F315 CarbonylContact O-C 3.52Å; I295-F315 WeakPolarHBondContact O-CA 3.44Å; L296-F315 HydrophobicContact CB-CD1 4.05Å; L296-F315 HydrophobicContact CB-CE1 4.02Å; L296-F315 HydrophobicContact CD1-CD1 4.04Å; L296-F315 HydrophobicContact CD1-CE1 3.58Å; L296-F315 HydrophobicContact CD1-CE2 4.25Å; L296-F315 HydrophobicContact CD1-CZ 3.69Å; L296-F315 HydrophobicContact CG-CE1 4.39Å; A313-F315 HydrophobicContact CB-CD2 4.36Å; A313-F315 HydrophobicContact CB-CE2 3.43Å; A313-F315 VanDerWaalsContact CB-CE2 3.43Å; A313-F315 HydrophobicContact CB-CZ 3.73Å; A313-F315 WeakPolarHBondContact O-CD2 3.48Å; A313-F315 WeakPolarHBondContact O-CE2 3.42Å; F315-S325 CarbonylContact O-C 3.51Å; F315-S325 WeakPolarHBondContact O-CA 3.3Å; F315-A326 PolarHBondContact N-O 3.42Å; F315-A326 PolarHBondContact O-N 3.2Å; F315-C328 HydrophobicContact CD2-CB 4.37Å; F315-C328 HydrophobicContact CE2-CB 3.93Å; F315-Y330 AromaticContact CE2-CE2 3.88Å; F315-Y330 HydrophobicContact CE2-CE2 3.88Å; F315-Y330 AromaticContact CZ-CE2 3.72Å; F315-Y330 HydrophobicContact CZ-CE2 3.72Å; F315-Y330 AromaticContact CZ-CZ 3.9Å; F315-Y330 VanDerWaalsContact CZ-OH 3.23Å; F315-Y330 WeakPolarHBondContact CZ-OH 3.39Å
316	S	98.6	Very high	95.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	167.9	168.1	78.7	0	0	0	0	113.1	N294 I295 Q297 G324 R419	N294-S316 PolarHBondContact N-O 2.86Å; I295-S316 WeakPolarHBondContact CB-O 3.4Å; I295-S316 PolarHBondContact N-O 3.22Å; I295-S316 PolarHBondContact O-N 3.45Å; Q297-S316 PolarHBondContact NE2-OG 2.86Å; S316-G324 CarbonylContact C-O 3.52Å; S316-G324 WeakPolarHBondContact CA-O 3.26Å; S316-G324 WeakPolarHBondContact CB-O 3.44Å; S316-R419 WeakPolarHBondContact OG-CD 3.3Å
317	T	98.1	Very high	96.3	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.025	20%	0.201	C	C	.	.			trans	-66.5	160.7	161.3	60.3	0	0	0	0	111.1	F291 F293 S321 I322 G324	F291-T317 HydrophobicContact CE1-CG2 3.93Å; F291-T317 HydrophobicContact CZ-CG2 3.83Å; F293-T317 HydrophobicContact CD1-CG2 4.11Å; F293-T317 HydrophobicContact CE1-CG2 4.09Å; T317-S321 WeakPolarHBondContact CB-OG 3.41Å; T317-I322 WeakPolarHBondContact CB-O 3.26Å; T317-I322 PolarHBondContact OG1-O 3.12Å; T317-G324 PolarHBondContact N-O 2.85Å; T317-G324 PolarHBondContact OG1-N 2.93Å
318	P	96.6	Very high	96.9	Very high	49 Å²	49	33.5 Å²	33.5	32%	0.318	17%	0.171	S	C	.	.			trans	-53.1	147.5	172.5	-28.6	36.4	0	0	0	114.1	N320 S321	P318-N320 WeakPolarHBondContact CB-OD1 3.43Å; P318-N320 PolarHBondContact O-N 3.12Å; P318-N320 VanDerWaalsContact O-N 3.15Å; P318-S321 WeakPolarHBondContact CD-OG 3.45Å; P318-S321 PolarHBondContact O-N 3.18Å; P318-S321 VanDerWaalsContact O-N 3.08Å; P318-S321 PolarHBondContact O-OG 3.25Å
319	Y	93.3	Very high	97.2	Very high	122 Å²	122	28.5 Å²	28.5	48%	0.478	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.3	-176.6	-64.5	-78.3	0	0	0	114.2	I295 Q297	I295-Y319 HydrophobicContact CG2-CE2 4.01Å; Q297-Y319 PolarHBondContact NE2-OH 3.08Å
320	N	93.1	Very high	97.2	Very high	152 Å²	152	27.1 Å²	27.1	81%	0.813	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	22.8	178.2	66.3	-49.5	0	0	0	113.5	P318	P318-N320 WeakPolarHBondContact CB-OD1 3.43Å; P318-N320 PolarHBondContact O-N 3.12Å; P318-N320 VanDerWaalsContact O-N 3.15Å
321	S	95.1	Very high	97.2	Very high	50 Å²	50	27 Å²	27	35%	0.35	15%	0.145	S	C	.	.	S	Bend	trans	-130.6	176.4	-179.3	71.4	0	0	0	0	111.5	T317 P318 P323	T317-S321 WeakPolarHBondContact CB-OG 3.41Å; P318-S321 WeakPolarHBondContact CD-OG 3.45Å; P318-S321 PolarHBondContact O-N 3.18Å; P318-S321 VanDerWaalsContact O-N 3.08Å; P318-S321 PolarHBondContact O-OG 3.25Å; S321-P323 WeakPolarHBondContact O-CD 3.09Å
322	I	95.8	Very high	97.2	Very high	147 Å²	147	27 Å²	27	75%	0.754	15%	0.145	S	C	*	.			trans	-56	125.3	174.4	-59.6	176.6	0	0	0	108.5	T317 G324	T317-I322 WeakPolarHBondContact CB-O 3.26Å; T317-I322 PolarHBondContact OG1-O 3.12Å; I322-G324 PolarHBondContact O-N 2.79Å
323	P	97.1	Very high	97.2	Very high	38 Å²	38	32.5 Å²	32.5	25%	0.247	17%	0.173	C	C	.	.			trans	-61.4	127.9	-180	-23.8	34.5	0	0	0	111.6	S321	S321-P323 WeakPolarHBondContact O-CD 3.09Å
324	G	97.6	Very high	97.1	Very high	4 Å²	4	35 Å²	35	4%	0.041	19%	0.186	C	C	.	.			trans	-152.3	149	169.1	0	0	0	0	0	109.4	S316 T317 I322 R413	S316-G324 CarbonylContact C-O 3.52Å; S316-G324 WeakPolarHBondContact CA-O 3.26Å; S316-G324 WeakPolarHBondContact CB-O 3.44Å; T317-G324 PolarHBondContact N-O 2.85Å; T317-G324 PolarHBondContact OG1-N 2.93Å; I322-G324 PolarHBondContact O-N 2.79Å; G324-R413 CarbonylContact C-O 3.51Å; G324-R413 WeakPolarHBondContact CA-O 3.44Å
325	S	98.6	Very high	97.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.4	176.8	-57.8	0	0	0	0	111.5	F315 R413 R419 L420	F315-S325 CarbonylContact O-C 3.51Å; F315-S325 WeakPolarHBondContact O-CA 3.3Å; S325-R413 PolarHBondContact N-O 3.02Å; S325-R413 PolarHBondContact O-N 2.76Å; S325-R419 WeakPolarHBondContact OG-CA 3.12Å; S325-L420 PolarHBondContact OG-N 3.44Å; S325-L420 VanDerWaalsContact OG-N 3.1Å
326	A	98.1	Very high	97.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151	-177.6	0	0	0	0	0	110.9	F293 F315 P409 F411 L412	F293-A326 HydrophobicContact CB-CB 4.02Å; F293-A326 HydrophobicContact CD1-CB 3.75Å; F293-A326 HydrophobicContact CD2-CB 3.54Å; F293-A326 HydrophobicContact CE1-CB 4.04Å; F293-A326 HydrophobicContact CE2-CB 3.85Å; F293-A326 HydrophobicContact CG-CB 3.49Å; F293-A326 VanDerWaalsContact CG-CB 3.49Å; F293-A326 HydrophobicContact CZ-CB 4.08Å; F315-A326 PolarHBondContact N-O 3.42Å; F315-A326 PolarHBondContact O-N 3.2Å; A326-P409 HydrophobicContact CB-CB 3.99Å; A326-P409 HydrophobicContact CB-CG 3.88Å; A326-F411 WeakPolarHBondContact CA-O 3.05Å; A326-L412 HydrophobicContact CB-CD2 3.91Å
327	V	98.1	Very high	97.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.7	168.3	-172.9	0	0	0	0	108.6	A313 T314 P409 W410 F411 I423 L440	A313-V327 WeakPolarHBondContact O-CA 3.48Å; T314-V327 HydrophobicContact CG2-CG2 4.37Å; V327-P409 CarbonylContact O-C 3.58Å; V327-P409 VanDerWaalsContact O-CA 3.24Å; V327-P409 WeakPolarHBondContact O-CA 3.47Å; V327-P409 WeakPolarHBondContact O-CB 3.46Å; V327-W410 PolarHBondContact O-N 2.79Å; V327-F411 HydrophobicContact CB-CB 4.08Å; V327-F411 HydrophobicContact CG2-CB 4.02Å; V327-F411 HydrophobicContact CG2-CD1 4.42Å; V327-F411 PolarHBondContact N-O 2.93Å; V327-I423 HydrophobicContact CG1-CD1 4.23Å; V327-L440 HydrophobicContact CG2-CD1 3.63Å; V327-L440 HydrophobicContact CG2-CD2 3.78Å; V327-L440 HydrophobicContact CG2-CG 4.37Å
328	C	97.4	Very high	97.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.3	174.3	-72.5	0	0	0	0	109.9	C283 A313 F315 Y330	C283-C328 WeakPolarHBondContact CA-SG 3.3Å; C283-C328 HydrophobicContact CB-CB 3.75Å; C283-C328 WeakPolarHBondContact CB-SG 3.4Å; C283-C328 WeakPolarHBondContact SG-CB 3.44Å; C283-C328 CovalentContact SG-SG 2.04Å; C283-C328 PolarHBondContact SG-SG 2.92Å; A313-C328 PolarHBondContact N-O 2.8Å; A313-C328 PolarHBondContact O-N 3.3Å; F315-C328 HydrophobicContact CD2-CB 4.37Å; F315-C328 HydrophobicContact CE2-CB 3.93Å; C328-Y330 HydrophobicContact CB-CE2 3.98Å
329	A	96.3	Very high	97.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	151.9	169.7	0	0	0	0	0	110.9	V311 L312 S404 I405 W410	V311-A329 CarbonylContact O-C 3.6Å; V311-A329 VanDerWaalsContact O-CA 3.3Å; V311-A329 WeakPolarHBondContact O-CA 3.41Å; L312-A329 HydrophobicContact CD1-CB 3.68Å; L312-A329 HydrophobicContact CG-CB 3.95Å; A329-S404 CarbonylContact O-C 3.58Å; A329-S404 VanDerWaalsContact O-CA 3.29Å; A329-S404 WeakPolarHBondContact O-CA 3.39Å; A329-S404 WeakPolarHBondContact O-CB 3.06Å; A329-I405 HydrophobicContact CB-CB 4.43Å; A329-I405 HydrophobicContact CB-CD1 3.98Å; A329-I405 HydrophobicContact CB-CG1 4.4Å; A329-I405 PolarHBondContact O-N 2.73Å; A329-W410 HydrophobicContact CB-CD2 4.08Å; A329-W410 HydrophobicContact CB-CE3 4.3Å; A329-W410 HydrophobicContact CB-CH2 3.46Å; A329-W410 VanDerWaalsContact CB-CH2 3.46Å; A329-W410 HydrophobicContact CB-CZ2 3.2Å; A329-W410 HydrophobicContact CB-CZ3 4.03Å
330	Y	97.8	Very high	97.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.6	176.7	-58.3	-88	0	0	0	108.9	L281 N282 C283 V310 V311 A313 F315 C328 V402 P403	L281-Y330 HydrophobicContact CB-CE1 4.22Å; L281-Y330 HydrophobicContact CD2-CD1 4.06Å; L281-Y330 HydrophobicContact CD2-CD2 4.46Å; L281-Y330 HydrophobicContact CD2-CE1 3.99Å; L281-Y330 HydrophobicContact CD2-CE2 4.4Å; L281-Y330 HydrophobicContact CD2-CG 4.3Å; N282-Y330 VanDerWaalsContact C-OH 3.32Å; N282-Y330 PolarHBondContact O-OH 2.92Å; C283-Y330 WeakPolarHBondContact CB-OH 3.25Å; C283-Y330 PolarHBondContact N-OH 2.72Å; V310-Y330 CarbonylContact C-O 3.58Å; V310-Y330 VanDerWaalsContact CA-O 3.24Å; V310-Y330 WeakPolarHBondContact CA-O 3.45Å; V310-Y330 WeakPolarHBondContact CB-O 3.2Å; V311-Y330 PolarHBondContact N-O 2.71Å; V311-Y330 PolarHBondContact O-N 2.9Å; A313-Y330 HydrophobicContact CB-CD2 4.49Å; A313-Y330 HydrophobicContact CB-CE2 4.14Å; F315-Y330 AromaticContact CE2-CE2 3.88Å; F315-Y330 HydrophobicContact CE2-CE2 3.88Å; F315-Y330 AromaticContact CZ-CE2 3.72Å; F315-Y330 HydrophobicContact CZ-CE2 3.72Å; F315-Y330 AromaticContact CZ-CZ 3.9Å; F315-Y330 VanDerWaalsContact CZ-OH 3.23Å; F315-Y330 WeakPolarHBondContact CZ-OH 3.39Å; C328-Y330 HydrophobicContact CB-CE2 3.98Å; Y330-V402 HydrophobicContact CD1-CB 4.35Å; Y330-V402 HydrophobicContact CD1-CG1 3.83Å; Y330-P403 VanDerWaalsContact CD1-O 3.31Å; Y330-P403 WeakPolarHBondContact CD1-O 3.48Å
331	D	97.1	Very high	97.5	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.011	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	137.5	173.8	-162.3	-59.1	0	0	0	108.8	R308 L333 D334 I335 I405	R308-D331 VanDerWaalsContact CD-OD2 3.29Å; R308-D331 WeakPolarHBondContact CD-OD2 3.34Å; R308-D331 WeakPolarHBondContact CG-OD2 3.34Å; R308-D331 IonicContact CZ-OD2 2.87Å; R308-D331 IonicContact NE-OD2 3.65Å; R308-D331 IonicContact NH1-OD2 3.03Å; R308-D331 PolarHBondContact NH1-OD2 3.16Å; D331-L333 PolarHBondContact O-N 3.14Å; D331-L333 VanDerWaalsContact OD1-CB 3.31Å; D331-L333 WeakPolarHBondContact OD1-CB 3.5Å; D331-L333 WeakPolarHBondContact OD1-CG 3.2Å; D331-L333 PolarHBondContact OD1-N 3.44Å; D331-D334 HydrophobicContact CB-CB 4.14Å; D331-D334 WeakPolarHBondContact CB-OD2 3.11Å; D331-D334 PolarHBondContact O-N 2.78Å; D331-I335 PolarHBondContact O-N 2.89Å; D331-I405 HydrophobicContact CB-CD1 4.09Å; D331-I405 HydrophobicContact CB-CG1 4.26Å
332	M	98.2	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-24.7	178.5	-66.6	-55.5	-59.7	0	0	111.8	V226 Y228 Y233 V302 D309 V311 I335 A336	V226-M332 HydrophobicContact CG2-CE 4.32Å; Y228-M332 HydrophobicContact CD1-CB 3.95Å; Y228-M332 HydrophobicContact CD1-CE 3.84Å; Y228-M332 HydrophobicContact CD1-CG 4.34Å; Y228-M332 HydrophobicContact CD2-CG 4.35Å; Y228-M332 HydrophobicContact CE1-CB 3.57Å; Y228-M332 HydrophobicContact CE1-CG 4.28Å; Y228-M332 HydrophobicContact CE2-CB 4.3Å; Y228-M332 HydrophobicContact CE2-CG 4.29Å; Y228-M332 HydrophobicContact CG-CB 4.46Å; Y228-M332 HydrophobicContact CG-CE 3.83Å; Y228-M332 HydrophobicContact CG-CG 4.37Å; Y233-M332 HydrophobicContact CD2-CE 3.57Å; Y233-M332 HydrophobicContact CE2-CE 3.82Å; Y233-M332 HydrophobicContact CG-CE 4.15Å; V302-M332 HydrophobicContact CG1-CG 3.97Å; V302-M332 HydrophobicContact CG2-CE 4.29Å; V302-M332 HydrophobicContact CG2-CG 4.18Å; V302-M332 HydrophobicContact CG2-SD 3.97Å; D309-M332 HydrophobicContact CB-CB 4.26Å; D309-M332 HydrophobicContact CB-CG 4.09Å; D309-M332 WeakPolarHBondContact O-CG 3.21Å; D309-M332 PolarHBondContact O-N 3.46Å; V311-M332 HydrophobicContact CG1-SD 3.94Å; V311-M332 HydrophobicContact CG2-SD 4.36Å; M332-I335 HydrophobicContact CE-CD1 4.37Å; M332-I335 HydrophobicContact SD-CD1 3.74Å; M332-A336 WeakPolarHBondContact O-CB 3.04Å; M332-A336 PolarHBondContact O-N 2.86Å
333	L	97.4	Very high	97.8	Very high	115 Å²	115	24.9 Å²	24.9	60%	0.602	14%	0.144	S	C	*	.	H	α-helix	trans	-71.5	-37	172.3	-58.4	176.2	0	0	0	112.3	D331 A336 S337	D331-L333 PolarHBondContact O-N 3.14Å; D331-L333 VanDerWaalsContact OD1-CB 3.31Å; D331-L333 WeakPolarHBondContact OD1-CB 3.5Å; D331-L333 WeakPolarHBondContact OD1-CG 3.2Å; D331-L333 PolarHBondContact OD1-N 3.44Å; L333-A336 PolarHBondContact O-N 2.77Å; L333-S337 WeakPolarHBondContact O-CB 3.28Å; L333-S337 PolarHBondContact O-N 3.13Å; L333-S337 PolarHBondContact O-OG 3.4Å
334	D	98.2	Very high	97.8	Very high	52 Å²	52	24.7 Å²	24.7	28%	0.278	14%	0.139	S	C	.	.	H	α-helix	trans	-72.8	-31.4	175.9	-69	-30.5	0	0	0	111.6	D331 S337 V402 P403	D331-D334 HydrophobicContact CB-CB 4.14Å; D331-D334 WeakPolarHBondContact CB-OD2 3.11Å; D331-D334 PolarHBondContact O-N 2.78Å; D334-S337 PolarHBondContact O-OG 2.79Å; D334-S337 VanDerWaalsContact O-OG 3.1Å; D334-V402 HydrophobicContact CB-CG1 4.39Å; D334-P403 HydrophobicContact CB-CG 4.22Å
335	I	98.7	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65	-47.2	169.6	-70.6	167.4	0	0	0	110.3	Y233 F235 V254 V311 D331 M332 F339 V402	Y233-I335 HydrophobicContact CD1-CG2 3.71Å; Y233-I335 HydrophobicContact CE1-CG2 3.67Å; Y233-I335 HydrophobicContact CG-CG2 4.45Å; F235-I335 HydrophobicContact CE1-CD1 4.32Å; F235-I335 HydrophobicContact CZ-CD1 4.12Å; V254-I335 HydrophobicContact CG1-CG2 4.23Å; V254-I335 HydrophobicContact CG2-CG2 3.98Å; V311-I335 HydrophobicContact CG2-CD1 3.97Å; D331-I335 PolarHBondContact O-N 2.89Å; M332-I335 HydrophobicContact CE-CD1 4.37Å; M332-I335 HydrophobicContact SD-CD1 3.74Å; I335-F339 HydrophobicContact CG2-CE2 4.03Å; I335-F339 WeakPolarHBondContact O-CD2 3.06Å; I335-F339 WeakPolarHBondContact O-CE2 3.47Å; I335-V402 HydrophobicContact CG1-CG1 3.75Å
336	A	98.2	Very high	97.3	Very high	34 Å²	34	27.5 Å²	27.5	28%	0.281	15%	0.152	S	C	.	.	H	α-helix	trans	-66.5	-39.2	-179.9	0	0	0	0	0	112.9	M332 L333 V338 F339	M332-A336 WeakPolarHBondContact O-CB 3.04Å; M332-A336 PolarHBondContact O-N 2.86Å; L333-A336 PolarHBondContact O-N 2.77Å; A336-V338 PolarHBondContact O-N 3.12Å; A336-F339 PolarHBondContact O-N 2.71Å
337	S	98	Very high	96.8	Very high	53 Å²	53	34.6 Å²	34.6	37%	0.371	18%	0.182	S	C	.	.	H	α-helix	trans	-63.7	-38.2	-176.7	69	0	0	0	0	112.8	L333 D334 F339 T340 G341	L333-S337 WeakPolarHBondContact O-CB 3.28Å; L333-S337 PolarHBondContact O-N 3.13Å; L333-S337 PolarHBondContact O-OG 3.4Å; D334-S337 PolarHBondContact O-OG 2.79Å; D334-S337 VanDerWaalsContact O-OG 3.1Å; S337-F339 PolarHBondContact O-N 3.38Å; S337-T340 WeakPolarHBondContact O-CA 3.47Å; S337-T340 WeakPolarHBondContact O-CB 3.42Å; S337-T340 PolarHBondContact O-N 2.68Å; S337-T340 PolarHBondContact O-OG1 3.45Å; S337-G341 PolarHBondContact O-N 2.94Å
338	V	98.6	Very high	96.1	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.024	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-30.6	176.9	169.7	0	0	0	0	112.7	A279 A336 T340 G341 M398 E400 V402	A279-V338 HydrophobicContact CB-CG1 3.58Å; A336-V338 PolarHBondContact O-N 3.12Å; V338-T340 PolarHBondContact O-N 2.85Å; V338-G341 PolarHBondContact O-N 2.8Å; V338-G341 VanDerWaalsContact O-N 3.16Å; V338-M398 HydrophobicContact CG1-CB 4.08Å; V338-M398 HydrophobicContact CG1-CG 4.32Å; V338-M398 WeakPolarHBondContact O-CE 3.04Å; V338-E400 HydrophobicContact CG1-CB 4.15Å; V338-E400 HydrophobicContact CG2-CB 4.47Å; V338-V402 HydrophobicContact CB-CG2 4.19Å; V338-V402 HydrophobicContact CG1-CG2 4.36Å; V338-V402 HydrophobicContact CG2-CB 4.49Å; V338-V402 HydrophobicContact CG2-CG2 4.08Å
339	F	98.5	Very high	95.4	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-74.5	-12.9	173.5	-62.8	-64.9	0	0	0	113.6	Y233 V254 Q256 L277 A279 I335 A336 S337 R365 M398	Y233-F339 HydrophobicContact CD1-CE2 4.26Å; Y233-F339 HydrophobicContact CE1-CD2 4.22Å; Y233-F339 AromaticContact CE1-CE2 3.91Å; Y233-F339 HydrophobicContact CE1-CE2 3.91Å; V254-F339 HydrophobicContact CG1-CZ 4.32Å; Q256-F339 HydrophobicContact CB-CD2 4.35Å; Q256-F339 HydrophobicContact CB-CE2 4.15Å; Q256-F339 HydrophobicContact CB-CZ 4.36Å; Q256-F339 HydrophobicContact CG-CD1 4.05Å; Q256-F339 HydrophobicContact CG-CD2 4.08Å; Q256-F339 HydrophobicContact CG-CE1 4.18Å; Q256-F339 HydrophobicContact CG-CE2 4.21Å; Q256-F339 HydrophobicContact CG-CG 4Å; Q256-F339 HydrophobicContact CG-CZ 4.26Å; Q256-F339 VanDerWaalsContact OE1-CG 3.26Å; L277-F339 HydrophobicContact CB-CD1 3.61Å; L277-F339 HydrophobicContact CB-CE1 3.79Å; L277-F339 HydrophobicContact CD1-CD1 4.23Å; L277-F339 WeakPolarHBondContact O-CE1 3.48Å; A279-F339 HydrophobicContact CB-CE1 4.2Å; A279-F339 HydrophobicContact CB-CZ 4.26Å; I335-F339 HydrophobicContact CG2-CE2 4.03Å; I335-F339 WeakPolarHBondContact O-CD2 3.06Å; I335-F339 WeakPolarHBondContact O-CE2 3.47Å; A336-F339 PolarHBondContact O-N 2.71Å; S337-F339 PolarHBondContact O-N 3.38Å; F339-R365 PolarHBondContact O-NH2 3.32Å; F339-M398 HydrophobicContact CD1-CG 3.76Å; F339-M398 HydrophobicContact CD1-SD 4.22Å; F339-M398 HydrophobicContact CE1-CG 4.08Å
340	T	96.9	Very high	94.8	Very high	100 Å²	100	49.3 Å²	49.3	61%	0.613	27%	0.271	S	S	*	.	H	α-helix	trans	-87.7	-17.3	167.2	76	0	0	0	0	113.4	S337 V338 R365	S337-T340 WeakPolarHBondContact O-CA 3.47Å; S337-T340 WeakPolarHBondContact O-CB 3.42Å; S337-T340 PolarHBondContact O-N 2.68Å; S337-T340 PolarHBondContact O-OG1 3.45Å; V338-T340 PolarHBondContact O-N 2.85Å; T340-R365 PolarHBondContact O-NH1 2.04Å; T340-R365 VanDerWaalsContact O-NH1 3.13Å; T340-R365 PolarHBondContact O-NH2 3.47Å; T340-R365 VanDerWaalsContact O-NH2 3.14Å
341	G	97.2	Very high	94.3	Very high	15 Å²	15	50.7 Å²	50.7	16%	0.155	28%	0.281	C	S	.	.	S	Bend	trans	-71.3	-169	177.1	0	0	0	0	0	114.5	S337 V338 R365 M398	S337-G341 PolarHBondContact O-N 2.94Å; V338-G341 PolarHBondContact O-N 2.8Å; V338-G341 VanDerWaalsContact O-N 3.16Å; G341-R365 PolarHBondContact O-NH1 2.71Å; G341-R365 PolarHBondContact O-NH2 2.79Å; G341-M398 VanDerWaalsContact O-CE 3.26Å; G341-M398 WeakPolarHBondContact O-CE 3.45Å
342	R	98.3	Very high	93.9	Very high	99 Å²	99	55.8 Å²	55.8	37%	0.374	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-77.5	147.8	-174.4	-59.2	178.4	-52.3	-155.9	4.6	112.8	P355 D399	R342-P355 HydrophobicContact CB-CB 4.34Å; R342-D399 HydrophobicContact CB-CB 4.31Å; R342-D399 IonicContact CZ-OD2 3.91Å; R342-D399 IonicContact NE-OD2 2.82Å; R342-D399 IonicContact NH2-OD2 3.18Å; R342-D399 PolarHBondContact NH2-OD2 3.06Å; R342-D399 WeakPolarHBondContact O-CB 3.46Å; R342-D399 PolarHBondContact O-N 3.21Å
343	F	98.6	Very high	93.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-78	156.9	171.3	-57.4	-86.3	0	0	0	111.5	L277 P355 V356 V361 P366 F391 H395 M398	L277-F343 HydrophobicContact CD1-CE1 3.85Å; L277-F343 HydrophobicContact CD1-CZ 4.5Å; L277-F343 HydrophobicContact CD2-CD1 4.2Å; L277-F343 HydrophobicContact CD2-CE1 3.71Å; L277-F343 HydrophobicContact CG-CE1 4.46Å; F343-P355 WeakPolarHBondContact O-CA 3.28Å; F343-V356 HydrophobicContact CB-CB 4.25Å; F343-V356 HydrophobicContact CB-CG2 4.01Å; F343-V356 PolarHBondContact O-N 3.08Å; F343-V361 HydrophobicContact CD2-CG1 4.39Å; F343-V361 HydrophobicContact CD2-CG2 3.78Å; F343-V361 HydrophobicContact CE2-CG1 3.78Å; F343-V361 HydrophobicContact CE2-CG2 3.98Å; F343-P366 HydrophobicContact CE1-CB 4.24Å; F343-P366 HydrophobicContact CZ-CB 3.88Å; F343-P366 HydrophobicContact CZ-CG 4.43Å; F343-F391 HydrophobicContact CB-CE1 4.08Å; F343-F391 HydrophobicContact CB-CZ 4.1Å; F343-F391 AromaticContact CD1-CE1 3.95Å; F343-F391 HydrophobicContact CD1-CE1 3.95Å; F343-F391 AromaticContact CD2-CE1 3.6Å; F343-F391 HydrophobicContact CD2-CE1 3.6Å; F343-F391 AromaticContact CD2-CZ 3.78Å; F343-F391 HydrophobicContact CD2-CZ 3.78Å; F343-F391 HydrophobicContact CE1-CE1 4.3Å; F343-F391 AromaticContact CE2-CE1 3.98Å; F343-F391 HydrophobicContact CE2-CE1 3.98Å; F343-F391 HydrophobicContact CE2-CZ 4.44Å; F343-F391 AromaticContact CG-CE1 3.58Å; F343-F391 HydrophobicContact CG-CE1 3.58Å; F343-F391 AromaticContact CG-CZ 3.96Å; F343-F391 HydrophobicContact CG-CZ 3.96Å; F343-F391 HydrophobicContact CZ-CE1 4.32Å; F343-H395 HydrophobicContact CB-CB 4.32Å; F343-M398 HydrophobicContact CD1-CE 3.84Å; F343-M398 HydrophobicContact CD1-SD 3.71Å; F343-M398 HydrophobicContact CE1-CE 3.87Å; F343-M398 HydrophobicContact CE1-SD 3.82Å; F343-M398 HydrophobicContact CG-CE 4.27Å; F343-M398 HydrophobicContact CZ-CE 4.34Å
344	K	97	Very high	93.6	Very high	33 Å²	33	54 Å²	54	14%	0.143	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.6	175.7	-137.7	179.9	-166.4	80.4	0	110.8	W353 L397 D399	K344-W353 HydrophobicContact CB-CE3 4.13Å; K344-W353 HydrophobicContact CD-CB 4.16Å; K344-W353 HydrophobicContact CD-CE3 4.13Å; K344-W353 HydrophobicContact CG-CB 4.28Å; K344-W353 HydrophobicContact CG-CE3 4.05Å; K344-L397 HydrophobicContact CB-CD2 4.44Å; K344-L397 HydrophobicContact CB-CG 4.22Å; K344-L397 WeakPolarHBondContact CB-O 3.49Å; K344-L397 HydrophobicContact CD-CD2 4.03Å; K344-L397 HydrophobicContact CD-CG 4.36Å; K344-L397 PolarHBondContact N-O 2.84Å; K344-D399 HydrophobicContact CB-CB 4.43Å; K344-D399 HydrophobicContact CG-CB 4.26Å; K344-D399 PolarHBondContact NZ-O 2.87Å; K344-D399 IonicContact NZ-OD1 2.8Å; K344-D399 PolarHBondContact NZ-OD1 3.1Å
345	E	94.7	Very high	93.6	Very high	11 Å²	11	53.7 Å²	53.7	5%	0.051	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	164.8	173.4	63.8	173.8	-165.3	0	0	111.9	K347 W353 T354 V356 R360	E345-K347 HydrophobicContact CG-CG 4.42Å; E345-K347 WeakPolarHBondContact OE1-CE 3.23Å; E345-K347 WeakPolarHBondContact OE1-CG 3.43Å; E345-K347 IonicContact OE1-NZ 3.99Å; E345-W353 CarbonylContact O-C 3.6Å; E345-W353 VanDerWaalsContact O-CA 3.27Å; E345-W353 WeakPolarHBondContact O-CA 3.22Å; E345-T354 WeakPolarHBondContact CG-O 3.37Å; E345-T354 PolarHBondContact N-O 3.39Å; E345-T354 PolarHBondContact O-N 3.25Å; E345-V356 HydrophobicContact CB-CG2 3.69Å; E345-V356 HydrophobicContact CG-CG2 3.76Å; E345-R360 IonicContact OE1-CZ 2.66Å; E345-R360 IonicContact OE1-NH1 2.71Å; E345-R360 IonicContact OE1-NH2 2.8Å; E345-R360 PolarHBondContact OE1-NH2 2.98Å; E345-R360 IonicContact OE2-CZ 3.66Å; E345-R360 VanDerWaalsContact OE2-CZ 3.28Å; E345-R360 IonicContact OE2-NH1 3.64Å; E345-R360 PolarHBondContact OE2-NH1 3.47Å; E345-R360 IonicContact OE2-NH2 2.71Å; E345-R360 PolarHBondContact OE2-NH2 3.03Å
346	Q	91.1	Very high	93.6	Very high	53 Å²	53	53.7 Å²	53.7	25%	0.248	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	113.7	165.5	-153.5	-163.9	4.2	0	0	106.3	S348 P349 S351 W353	Q346-S348 WeakPolarHBondContact CG-O 3.13Å; Q346-P349 PolarHBondContact NE2-O 2.79Å; Q346-S351 VanDerWaalsContact CG-O 3.3Å; Q346-S351 WeakPolarHBondContact CG-O 3.47Å; Q346-S351 PolarHBondContact NE2-O 3.47Å; Q346-W353 HydrophobicContact CB-CD2 3.96Å; Q346-W353 HydrophobicContact CB-CE3 4.32Å; Q346-W353 HydrophobicContact CB-CG 4.34Å; Q346-W353 HydrophobicContact CB-CZ2 4.21Å; Q346-W353 HydrophobicContact CG-CD2 4.23Å; Q346-W353 HydrophobicContact CG-CG 4.18Å
347	K	85.8	Confident	93.5	Very high	149 Å²	149	54.8 Å²	54.8	65%	0.648	31%	0.306	S	S	*	.	S	Bend	trans	-72	-32.7	-167	-68.8	177.3	179.1	171.2	0	113.3	E345 S351 T354	E345-K347 HydrophobicContact CG-CG 4.42Å; E345-K347 WeakPolarHBondContact OE1-CE 3.23Å; E345-K347 WeakPolarHBondContact OE1-CG 3.43Å; E345-K347 IonicContact OE1-NZ 3.99Å; K347-S351 PolarHBondContact N-OG 3.23Å; K347-T354 WeakPolarHBondContact CE-OG1 3.4Å
348	S	84.2	Confident	93.4	Very high	56 Å²	56	56.4 Å²	56.4	39%	0.392	31%	0.311	S	S	.	.	S	Bend	trans	-137.9	161.5	166.2	68.8	0	0	0	0	109.4	Q346 D350 S351	Q346-S348 WeakPolarHBondContact CG-O 3.13Å; S348-D350 PolarHBondContact O-N 2.85Å; S348-S351 PolarHBondContact N-OG 3.13Å; S348-S351 PolarHBondContact O-N 3.2Å; S348-S351 PolarHBondContact O-OG 3.19Å; S348-S351 WeakPolarHBondContact OG-CB 3.24Å; S348-S351 PolarHBondContact OG-N 3.28Å
349	P	83.1	Confident	93.3	Very high	108 Å²	108	64.3 Å²	64.3	70%	0.701	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.7	-177.3	-27.8	36.8	0	0	0	115.2	Q346	Q346-P349 PolarHBondContact NE2-O 2.79Å
350	D	82.6	Confident	93.2	Very high	145 Å²	145	69.8 Å²	69.8	78%	0.775	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-8.2	-177.4	-43.4	-72.4	0	0	0	113.1	S348	S348-D350 PolarHBondContact O-N 2.85Å
351	S	87.9	Confident	93.2	Very high	28 Å²	28	65.9 Å²	65.9	20%	0.196	34%	0.344	C	S	.	.	S	Bend	trans	-73	156.6	179.4	65.2	0	0	0	0	112.8	Q346 K347 S348	Q346-S351 VanDerWaalsContact CG-O 3.3Å; Q346-S351 WeakPolarHBondContact CG-O 3.47Å; Q346-S351 PolarHBondContact NE2-O 3.47Å; K347-S351 PolarHBondContact N-OG 3.23Å; S348-S351 PolarHBondContact N-OG 3.13Å; S348-S351 PolarHBondContact O-N 3.2Å; S348-S351 PolarHBondContact O-OG 3.19Å; S348-S351 WeakPolarHBondContact OG-CB 3.24Å; S348-S351 PolarHBondContact OG-N 3.28Å
352	T	89.6	Confident	93.3	Very high	109 Å²	109	66 Å²	66	67%	0.669	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-64.8	151.1	167.1	47.4	0	0	0	0	111.1
353	W	93.8	Very high	93.1	Very high	43 Å²	43	70 Å²	70	16%	0.163	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.4	175.2	-73.1	70.2	0	0	0	110.4	V241 E242 K344 E345 Q346 L397	V241-W353 HydrophobicContact CB-CH2 4.43Å; V241-W353 HydrophobicContact CB-CZ2 3.96Å; V241-W353 HydrophobicContact CG2-CH2 3.83Å; V241-W353 HydrophobicContact CG2-CZ2 3.81Å; V241-W353 PolarHBondContact O-NE1 2.86Å; E242-W353 HydrophobicContact CB-CB 4.44Å; E242-W353 HydrophobicContact CB-CD2 4.26Å; E242-W353 HydrophobicContact CB-CG 4.06Å; K344-W353 HydrophobicContact CB-CE3 4.13Å; K344-W353 HydrophobicContact CD-CB 4.16Å; K344-W353 HydrophobicContact CD-CE3 4.13Å; K344-W353 HydrophobicContact CG-CB 4.28Å; K344-W353 HydrophobicContact CG-CE3 4.05Å; E345-W353 CarbonylContact O-C 3.6Å; E345-W353 VanDerWaalsContact O-CA 3.27Å; E345-W353 WeakPolarHBondContact O-CA 3.22Å; Q346-W353 HydrophobicContact CB-CD2 3.96Å; Q346-W353 HydrophobicContact CB-CE3 4.32Å; Q346-W353 HydrophobicContact CB-CG 4.34Å; Q346-W353 HydrophobicContact CB-CZ2 4.21Å; Q346-W353 HydrophobicContact CG-CD2 4.23Å; Q346-W353 HydrophobicContact CG-CG 4.18Å; W353-L397 HydrophobicContact CE3-CD2 4.3Å; W353-L397 HydrophobicContact CZ3-CD2 4.02Å
354	T	95.6	Very high	93	Very high	35 Å²	35	70.7 Å²	70.7	22%	0.215	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	154.2	-176.6	57.5	0	0	0	0	111.7	E345 K347	E345-T354 WeakPolarHBondContact CG-O 3.37Å; E345-T354 PolarHBondContact N-O 3.39Å; E345-T354 PolarHBondContact O-N 3.25Å; K347-T354 WeakPolarHBondContact CE-OG1 3.4Å
355	P	97.7	Very high	93	Very high	45 Å²	45	71.9 Å²	71.9	29%	0.292	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	140.5	167.8	20.9	-31.7	0	0	0	112.3	R342 F343 D399	R342-P355 HydrophobicContact CB-CB 4.34Å; F343-P355 WeakPolarHBondContact O-CA 3.28Å; P355-D399 HydrophobicContact CB-CB 4.34Å; P355-D399 WeakPolarHBondContact CB-OD2 3.44Å
356	V	98.1	Very high	93.2	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-75	127.2	162.7	-176.9	0	0	0	0	108.2	F343 E345 R360 V361 F391	F343-V356 HydrophobicContact CB-CB 4.25Å; F343-V356 HydrophobicContact CB-CG2 4.01Å; F343-V356 PolarHBondContact O-N 3.08Å; E345-V356 HydrophobicContact CB-CG2 3.69Å; E345-V356 HydrophobicContact CG-CG2 3.76Å; V356-R360 HydrophobicContact CG1-CB 4.16Å; V356-V361 HydrophobicContact CG1-CG2 4.22Å; V356-F391 HydrophobicContact CG1-CE2 4.14Å; V356-F391 HydrophobicContact CG1-CZ 4.05Å; V356-F391 HydrophobicContact CG2-CZ 4.38Å
357	P	96.9	Very high	93.4	Very high	57 Å²	57	69.1 Å²	69.1	37%	0.37	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-67.4	138.2	167.6	-18.2	33	0	0	0	110.8	E359 R360	P357-E359 WeakPolarHBondContact CB-OE2 3.35Å; P357-E359 PolarHBondContact O-N 3.31Å; P357-E359 VanDerWaalsContact O-N 3.1Å; P357-R360 PolarHBondContact O-N 2.9Å
358	D	95.1	Very high	93.9	Very high	87 Å²	87	63.4 Å²	63.4	47%	0.465	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-64	-19.2	-171.9	-68.3	-44.7	0	0	0	113.4	R360 V361	D358-R360 PolarHBondContact O-N 2.89Å; D358-V361 WeakPolarHBondContact O-CB 3.43Å; D358-V361 PolarHBondContact O-N 3.48Å
359	E	96.4	Very high	94.5	Very high	170 Å²	170	61 Å²	61	79%	0.794	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-65.4	-16.3	172.9	-52.4	80.2	-176.2	0	0	113.2	P357	P357-E359 WeakPolarHBondContact CB-OE2 3.35Å; P357-E359 PolarHBondContact O-N 3.31Å; P357-E359 VanDerWaalsContact O-N 3.1Å
360	R	96.7	Very high	95.1	Very high	123 Å²	123	56 Å²	56	46%	0.464	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-102.2	1.6	173.4	-68.3	-165.6	-67.2	124.8	-9	113.9	E345 V356 P357 D358	E345-R360 IonicContact OE1-CZ 2.66Å; E345-R360 IonicContact OE1-NH1 2.71Å; E345-R360 IonicContact OE1-NH2 2.8Å; E345-R360 PolarHBondContact OE1-NH2 2.98Å; E345-R360 IonicContact OE2-CZ 3.66Å; E345-R360 VanDerWaalsContact OE2-CZ 3.28Å; E345-R360 IonicContact OE2-NH1 3.64Å; E345-R360 PolarHBondContact OE2-NH1 3.47Å; E345-R360 IonicContact OE2-NH2 2.71Å; E345-R360 PolarHBondContact OE2-NH2 3.03Å; V356-R360 HydrophobicContact CG1-CB 4.16Å; P357-R360 PolarHBondContact O-N 2.9Å; D358-R360 PolarHBondContact O-N 2.89Å
361	V	98	Very high	95.4	Very high	18 Å²	18	51.5 Å²	51.5	11%	0.109	28%	0.276	C	S	.	.	S	Bend	trans	-83.1	124.3	175	178.1	0	0	0	0	108.6	F343 V356 D358 R365 P366 F391	F343-V361 HydrophobicContact CD2-CG1 4.39Å; F343-V361 HydrophobicContact CD2-CG2 3.78Å; F343-V361 HydrophobicContact CE2-CG1 3.78Å; F343-V361 HydrophobicContact CE2-CG2 3.98Å; V356-V361 HydrophobicContact CG1-CG2 4.22Å; D358-V361 WeakPolarHBondContact O-CB 3.43Å; D358-V361 PolarHBondContact O-N 3.48Å; V361-R365 HydrophobicContact CG1-CG 4.43Å; V361-P366 HydrophobicContact CG1-CG 4.36Å; V361-F391 HydrophobicContact CG2-CZ 4.05Å
362	P	97.6	Very high	95.4	Very high	18 Å²	18	51.7 Å²	51.7	12%	0.117	28%	0.277	C	S	.	.			trans	-69.5	170.9	-177.9	29.3	-35.9	0	0	0	112.5	P364 P366 D387 F391	P362-P364 CarbonylContact C-O 3.53Å; P362-P364 CarbonylContact O-C 3.5Å; P362-P366 HydrophobicContact CG-CG 3.79Å; P362-D387 HydrophobicContact CB-CB 4.31Å; P362-D387 VanDerWaalsContact CB-OD2 3.24Å; P362-D387 WeakPolarHBondContact CB-OD2 3.1Å; P362-F391 VanDerWaalsContact CD-CD2 3.45Å; P362-F391 HydrophobicContact CG-CB 3.7Å; P362-F391 HydrophobicContact CG-CD2 4.14Å; P362-F391 HydrophobicContact CG-CG 3.92Å
363	K	95.2	Very high	95	Very high	183 Å²	183	51.7 Å²	51.7	80%	0.796	28%	0.282	S	S	*	.	S	Bend	trans	-125.3	125.4	179.3	-67.1	-176.2	-179.3	179.1	0	109.8
364	P	95.9	Very high	94.2	Very high	13 Å²	13	54 Å²	54	8%	0.084	31%	0.305	C	S	.	.	S	Bend	cis	-69.2	160.2	8	31.8	-36.3	0	0	0	113.2	P362 P366 L375 Y378 F384 T388	P362-P364 CarbonylContact C-O 3.53Å; P362-P364 CarbonylContact O-C 3.5Å; P364-P366 WeakPolarHBondContact O-CD 3.37Å; P364-L375 HydrophobicContact CB-CD1 4Å; P364-L375 HydrophobicContact CB-CD2 3.78Å; P364-L375 HydrophobicContact CB-CG 3.63Å; P364-L375 HydrophobicContact CG-CD2 4.27Å; P364-Y378 HydrophobicContact CB-CD2 4.46Å; P364-Y378 HydrophobicContact CB-CE2 3.97Å; P364-Y378 HydrophobicContact CG-CD2 4.16Å; P364-Y378 HydrophobicContact CG-CE2 3.62Å; P364-F384 HydrophobicContact CG-CD1 4.35Å; P364-T388 HydrophobicContact CG-CG2 4.31Å; P364-T388 VanDerWaalsContact O-CG2 3.25Å; P364-T388 WeakPolarHBondContact O-CG2 3.48Å; P364-T388 PolarHBondContact O-OG1 3.27Å
365	R	97.1	Very high	93.9	Very high	59 Å²	59	52.7 Å²	52.7	22%	0.223	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-65	127.5	-175.6	178.6	178.3	163.7	98.4	7.8	110.2	F339 T340 G341 V361 G367 C368	F339-R365 PolarHBondContact O-NH2 3.32Å; T340-R365 PolarHBondContact O-NH1 2.04Å; T340-R365 VanDerWaalsContact O-NH1 3.13Å; T340-R365 PolarHBondContact O-NH2 3.47Å; T340-R365 VanDerWaalsContact O-NH2 3.14Å; G341-R365 PolarHBondContact O-NH1 2.71Å; G341-R365 PolarHBondContact O-NH2 2.79Å; V361-R365 HydrophobicContact CG1-CG 4.43Å; R365-G367 PolarHBondContact O-N 3Å; R365-C368 PolarHBondContact O-N 2.61Å
366	P	98.1	Very high	93.4	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.013	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	133.1	172.3	-30.6	37.1	0	0	0	113.1	F343 V361 P362 P364 T388 F391 I392	F343-P366 HydrophobicContact CE1-CB 4.24Å; F343-P366 HydrophobicContact CZ-CB 3.88Å; F343-P366 HydrophobicContact CZ-CG 4.43Å; V361-P366 HydrophobicContact CG1-CG 4.36Å; P362-P366 HydrophobicContact CG-CG 3.79Å; P364-P366 WeakPolarHBondContact O-CD 3.37Å; P366-T388 HydrophobicContact CG-CG2 4.16Å; P366-F391 HydrophobicContact CB-CD1 4.01Å; P366-F391 HydrophobicContact CG-CB 4.28Å; P366-F391 HydrophobicContact CG-CD1 3.51Å; P366-F391 HydrophobicContact CG-CE1 4.1Å; P366-F391 HydrophobicContact CG-CG 4.08Å; P366-I392 HydrophobicContact CB-CB 4.11Å; P366-I392 HydrophobicContact CB-CG1 4.35Å
367	G	95.8	Very high	93.1	Very high	4 Å²	4	67.9 Å²	67.9	4%	0.041	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	90	-11.9	178.2	0	0	0	0	0	116	Q256 R365	Q256-G367 PolarHBondContact NE2-O 3.05Å; R365-G367 PolarHBondContact O-N 3Å
368	C	96.1	Very high	93	Very high	28 Å²	28	67 Å²	67	19%	0.189	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-78.5	141.9	173.9	-64.1	0	0	0	0	111.6	R365 L375	R365-C368 PolarHBondContact O-N 2.61Å; C368-L375 HydrophobicContact CB-CD1 3.62Å; C368-L375 HydrophobicContact CB-CD2 3.96Å; C368-L375 HydrophobicContact CB-CG 4.48Å; C368-L375 WeakPolarHBondContact O-CD2 3.33Å
369	C	96.9	Very high	92.9	Very high	5 Å²	5	66.6 Å²	66.6	3%	0.034	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-75.4	141.9	-177.7	-49.7	0	0	0	0	112.7	Y231 C258 S372	Y231-C369 WeakPolarHBondContact CE1-SG 3.25Å; Y231-C369 VanDerWaalsContact CZ-SG 3.51Å; C258-C369 HydrophobicContact CB-CB 3.86Å; C258-C369 WeakPolarHBondContact CB-SG 3.33Å; C258-C369 WeakPolarHBondContact SG-CA 3.4Å; C258-C369 WeakPolarHBondContact SG-CB 3.35Å; C258-C369 CovalentContact SG-SG 2.04Å; C258-C369 PolarHBondContact SG-SG 2.7Å; C369-S372 WeakPolarHBondContact O-CB 3.15Å; C369-S372 PolarHBondContact O-N 3.15Å; C369-S372 PolarHBondContact O-OG 2.73Å
370	A	95.7	Very high	92.9	Very high	3 Å²	3	60.5 Å²	60.5	3%	0.025	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	149	170.4	0	0	0	0	0	110.4	N260 S372 F384	N260-A370 PolarHBondContact ND2-O 3.08Å; A370-S372 PolarHBondContact O-N 3.47Å; A370-S372 VanDerWaalsContact O-N 3.12Å; A370-F384 HydrophobicContact CB-CE1 3.9Å; A370-F384 HydrophobicContact CB-CZ 3.89Å
371	G	89.8	Confident	93	Very high	52 Å²	52	54.7 Å²	54.7	54%	0.536	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	0.1	-176.3	0	0	0	0	0	116.4	Y378	G371-Y378 PolarHBondContact N-O 2.69Å
372	S	87.6	Confident	92.9	Very high	32 Å²	32	57.5 Å²	57.5	22%	0.224	32%	0.319	C	S	.	.	S	Bend	trans	-70.5	161.4	169.6	65.8	0	0	0	0	111.2	C369 A370 S374 L375 E376	C369-S372 WeakPolarHBondContact O-CB 3.15Å; C369-S372 PolarHBondContact O-N 3.15Å; C369-S372 PolarHBondContact O-OG 2.73Å; A370-S372 PolarHBondContact O-N 3.47Å; A370-S372 VanDerWaalsContact O-N 3.12Å; S372-S374 PolarHBondContact O-N 2.93Å; S372-L375 CarbonylContact O-C 3.56Å; S372-L375 VanDerWaalsContact O-C 3.31Å; S372-L375 WeakPolarHBondContact O-CA 3.44Å; S372-L375 PolarHBondContact O-N 2.79Å; S372-E376 WeakPolarHBondContact O-CG 3.48Å; S372-E376 PolarHBondContact O-N 2.71Å
373	S	80.6	Confident	92.9	Very high	109 Å²	109	61.2 Å²	61.2	76%	0.762	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-12.8	-174	57.2	0	0	0	0	116.3
374	S	77.3	Confident	93	Very high	92 Å²	92	53 Å²	53	64%	0.643	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-10	172.6	57.7	0	0	0	0	113.7	S372	S372-S374 PolarHBondContact O-N 2.93Å
375	L	88.5	Confident	93.1	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.031	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	17.2	-175.6	-83.5	75.8	0	0	0	112.8	P364 C368 S372 R377 Y378 F384	P364-L375 HydrophobicContact CB-CD1 4Å; P364-L375 HydrophobicContact CB-CD2 3.78Å; P364-L375 HydrophobicContact CB-CG 3.63Å; P364-L375 HydrophobicContact CG-CD2 4.27Å; C368-L375 HydrophobicContact CB-CD1 3.62Å; C368-L375 HydrophobicContact CB-CD2 3.96Å; C368-L375 HydrophobicContact CB-CG 4.48Å; C368-L375 WeakPolarHBondContact O-CD2 3.33Å; S372-L375 CarbonylContact O-C 3.56Å; S372-L375 VanDerWaalsContact O-C 3.31Å; S372-L375 WeakPolarHBondContact O-CA 3.44Å; S372-L375 PolarHBondContact O-N 2.79Å; L375-R377 PolarHBondContact O-N 3.12Å; L375-Y378 HydrophobicContact CB-CD2 4.33Å; L375-Y378 HydrophobicContact CG-CD2 4.38Å; L375-Y378 PolarHBondContact O-N 2.94Å; L375-F384 HydrophobicContact CD2-CE1 3.77Å; L375-F384 HydrophobicContact CD2-CZ 3.77Å
376	E	87.4	Confident	93.2	Very high	147 Å²	147	53.6 Å²	53.6	69%	0.687	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-24.8	-176.8	-58.9	-177	168.3	0	0	114.4	S372 Y378	S372-E376 WeakPolarHBondContact O-CG 3.48Å; S372-E376 PolarHBondContact O-N 2.71Å; E376-Y378 VanDerWaalsContact C-N 3.26Å; E376-Y378 PolarHBondContact O-N 3.34Å
377	R	92.8	Very high	93.2	Very high	217 Å²	217	57.7 Å²	57.7	82%	0.819	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.9	173.2	179.4	-179.6	-65.4	-164.8	-0.6	113.8	L375	L375-R377 PolarHBondContact O-N 3.12Å
378	Y	94.6	Very high	93.3	Very high	40 Å²	40	57.7 Å²	57.7	16%	0.157	33%	0.329	C	S	.	.			trans	-102.1	111.9	-174.3	-58.8	-77.3	0	0	0	109.1	P364 G371 L375 E376 E383 F384 P385	P364-Y378 HydrophobicContact CB-CD2 4.46Å; P364-Y378 HydrophobicContact CB-CE2 3.97Å; P364-Y378 HydrophobicContact CG-CD2 4.16Å; P364-Y378 HydrophobicContact CG-CE2 3.62Å; G371-Y378 PolarHBondContact N-O 2.69Å; L375-Y378 HydrophobicContact CB-CD2 4.33Å; L375-Y378 HydrophobicContact CG-CD2 4.38Å; L375-Y378 PolarHBondContact O-N 2.94Å; E376-Y378 VanDerWaalsContact C-N 3.26Å; E376-Y378 PolarHBondContact O-N 3.34Å; Y378-E383 WeakPolarHBondContact CA-OE2 3.39Å; Y378-E383 HydrophobicContact CD1-CB 4.02Å; Y378-F384 HydrophobicContact CD1-CD1 4.14Å; Y378-F384 HydrophobicContact CD2-CD1 4.47Å; Y378-F384 HydrophobicContact CD2-CE1 4.42Å; Y378-F384 AromaticContact CG-CD1 3.99Å; Y378-F384 HydrophobicContact CG-CD1 3.99Å; Y378-F384 HydrophobicContact CG-CE1 4.09Å; Y378-P385 HydrophobicContact CE1-CG 4.41Å
379	A	93.8	Very high	93.4	Very high	77 Å²	77	56.4 Å²	56.4	64%	0.636	32%	0.32	S	S	*	.	S	Bend	trans	-73.5	-32.3	178	0	0	0	0	0	111.4	E383	A379-E383 PolarHBondContact N-OE2 2.71Å
380	T	96.4	Very high	93.5	Very high	42 Å²	42	59.5 Å²	59.5	26%	0.258	34%	0.336	S	S	.	.	S	Bend	trans	-142.6	160	174.9	66.2	0	0	0	0	112.2	M262 N382 E383	M262-T380 HydrophobicContact CG-CG2 4.22Å; T380-N382 PolarHBondContact O-N 2.89Å; T380-E383 PolarHBondContact N-OE2 2.89Å; T380-E383 WeakPolarHBondContact O-CB 3.12Å; T380-E383 PolarHBondContact O-N 3.31Å
381	S	97.2	Very high	93.6	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.014	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-63.6	-19.3	175.1	57	0	0	0	0	114.3	D261 M262 G263 T274 E383 F384	D261-S381 PolarHBondContact OD1-OG 2.04Å; M262-S381 WeakPolarHBondContact CA-OG 3.49Å; M262-S381 PolarHBondContact N-OG 3.46Å; G263-S381 PolarHBondContact N-OG 2.93Å; G263-S381 CarbonylContact O-C 3.51Å; G263-S381 VanDerWaalsContact O-C 3.27Å; G263-S381 WeakPolarHBondContact O-CB 3.04Å; G263-S381 PolarHBondContact O-OG 2.86Å; T274-S381 WeakPolarHBondContact OG1-CB 3.32Å; S381-E383 PolarHBondContact O-N 2.86Å; S381-F384 VanDerWaalsContact O-CB 3.29Å; S381-F384 WeakPolarHBondContact O-CB 3.46Å; S381-F384 WeakPolarHBondContact O-CG 3.41Å; S381-F384 PolarHBondContact O-N 3.34Å; S381-F384 VanDerWaalsContact O-N 3.08Å
382	N	97.1	Very high	94	Very high	76 Å²	76	57.9 Å²	57.9	41%	0.406	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-63.1	-22.8	176.6	-59.3	9.7	0	0	0	112	M262 G263 T380	M262-N382 VanDerWaalsContact CB-OD1 3.23Å; M262-N382 WeakPolarHBondContact CB-OD1 3.43Å; M262-N382 PolarHBondContact O-OD1 3.04Å; G263-N382 PolarHBondContact O-N 2.86Å; G263-N382 PolarHBondContact O-OD1 3.34Å; T380-N382 PolarHBondContact O-N 2.89Å
383	E	97.1	Very high	94.5	Very high	97 Å²	97	59.8 Å²	59.8	45%	0.453	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-89	-4.3	179.3	-60.7	164.2	177.3	0	0	112.7	Y378 A379 T380 S381	Y378-E383 WeakPolarHBondContact CA-OE2 3.39Å; Y378-E383 HydrophobicContact CD1-CB 4.02Å; A379-E383 PolarHBondContact N-OE2 2.71Å; T380-E383 PolarHBondContact N-OE2 2.89Å; T380-E383 WeakPolarHBondContact O-CB 3.12Å; T380-E383 PolarHBondContact O-N 3.31Å; S381-E383 PolarHBondContact O-N 2.86Å
384	F	98	Very high	95.3	Very high	11 Å²	11	57.4 Å²	57.4	5%	0.048	30%	0.299	C	S	.	.	S	Bend	trans	-64.1	135.1	-179.3	-70.9	-13.7	0	0	0	111.6	P364 A370 L375 Y378 S381 L389	P364-F384 HydrophobicContact CG-CD1 4.35Å; A370-F384 HydrophobicContact CB-CE1 3.9Å; A370-F384 HydrophobicContact CB-CZ 3.89Å; L375-F384 HydrophobicContact CD2-CE1 3.77Å; L375-F384 HydrophobicContact CD2-CZ 3.77Å; Y378-F384 HydrophobicContact CD1-CD1 4.14Å; Y378-F384 HydrophobicContact CD2-CD1 4.47Å; Y378-F384 HydrophobicContact CD2-CE1 4.42Å; Y378-F384 AromaticContact CG-CD1 3.99Å; Y378-F384 HydrophobicContact CG-CD1 3.99Å; Y378-F384 HydrophobicContact CG-CE1 4.09Å; S381-F384 VanDerWaalsContact O-CB 3.29Å; S381-F384 WeakPolarHBondContact O-CB 3.46Å; S381-F384 WeakPolarHBondContact O-CG 3.41Å; S381-F384 PolarHBondContact O-N 3.34Å; S381-F384 VanDerWaalsContact O-N 3.08Å; F384-L389 HydrophobicContact CB-CD1 4.21Å; F384-L389 HydrophobicContact CB-CD2 3.95Å; F384-L389 HydrophobicContact CB-CG 3.95Å; F384-L389 HydrophobicContact CD2-CD2 4.15Å; F384-L389 VanDerWaalsContact O-CD1 3.31Å; F384-L389 WeakPolarHBondContact O-CD1 3.49Å
385	P	97.8	Very high	96.3	Very high	40 Å²	40	54.4 Å²	54.4	26%	0.26	28%	0.275	S	S	.	.			trans	-52.6	143.2	173.6	-32.8	39.4	0	0	0	114.8	Y378 D387 T388 L389	Y378-P385 HydrophobicContact CE1-CG 4.41Å; P385-D387 WeakPolarHBondContact CB-OD1 3.03Å; P385-D387 PolarHBondContact O-N 2.95Å; P385-T388 WeakPolarHBondContact O-CB 3.31Å; P385-T388 PolarHBondContact O-N 3.05Å; P385-T388 VanDerWaalsContact O-N 3.14Å; P385-L389 PolarHBondContact O-N 3.34Å; P385-L389 VanDerWaalsContact O-N 3.07Å
386	D	98.1	Very high	96.8	Very high	43 Å²	43	54.3 Å²	54.3	23%	0.23	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-26.6	-177.8	-80.3	27.1	0	0	0	113.5	S265 R267 V268 N390	S265-D386 PolarHBondContact OG-OD1 3.2Å; R267-D386 IonicContact CZ-OD1 3.54Å; R267-D386 IonicContact CZ-OD2 2.76Å; R267-D386 IonicContact NE-OD1 2.72Å; R267-D386 PolarHBondContact NE-OD1 3.1Å; R267-D386 IonicContact NE-OD2 3.45Å; R267-D386 PolarHBondContact NE-OD2 2.89Å; R267-D386 IonicContact NH2-OD1 2.87Å; R267-D386 PolarHBondContact NH2-OD1 2.95Å; R267-D386 IonicContact NH2-OD2 2.94Å; V268-D386 HydrophobicContact CG2-CB 4.08Å; D386-N390 VanDerWaalsContact O-CB 3.26Å; D386-N390 WeakPolarHBondContact O-CB 3.06Å; D386-N390 PolarHBondContact O-N 3.3Å; D386-N390 PolarHBondContact O-ND2 3.44Å
387	D	97.9	Very high	97.3	Very high	88 Å²	88	47.4 Å²	47.4	47%	0.471	24%	0.243	S	C	.	.	H	α-helix	trans	-67.9	-44.1	175.3	67	-25.8	0	0	0	111.2	P362 P385 N390 F391	P362-D387 HydrophobicContact CB-CB 4.31Å; P362-D387 VanDerWaalsContact CB-OD2 3.24Å; P362-D387 WeakPolarHBondContact CB-OD2 3.1Å; P385-D387 WeakPolarHBondContact CB-OD1 3.03Å; P385-D387 PolarHBondContact O-N 2.95Å; D387-N390 PolarHBondContact O-N 3.2Å; D387-F391 WeakPolarHBondContact O-CB 3.4Å; D387-F391 PolarHBondContact O-N 3.07Å
388	T	98.1	Very high	97.6	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.031	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-46.4	175.4	-55.8	0	0	0	0	110.9	P364 P366 P385 F391 I392	P364-T388 HydrophobicContact CG-CG2 4.31Å; P364-T388 VanDerWaalsContact O-CG2 3.25Å; P364-T388 WeakPolarHBondContact O-CG2 3.48Å; P364-T388 PolarHBondContact O-OG1 3.27Å; P366-T388 HydrophobicContact CG-CG2 4.16Å; P385-T388 WeakPolarHBondContact O-CB 3.31Å; P385-T388 PolarHBondContact O-N 3.05Å; P385-T388 VanDerWaalsContact O-N 3.14Å; T388-F391 PolarHBondContact O-N 2.86Å; T388-I392 PolarHBondContact O-N 2.89Å
389	L	98.6	Very high	97.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-68.9	-39.2	178.7	-65.6	175.1	0	0	0	112.6	V268 L269 T274 F384 P385 K393	V268-L389 HydrophobicContact CB-CB 3.78Å; V268-L389 HydrophobicContact CB-CD1 4.2Å; V268-L389 HydrophobicContact CG1-CB 3.57Å; L269-L389 HydrophobicContact CD1-CB 4.29Å; L269-L389 HydrophobicContact CD1-CD2 4.16Å; L269-L389 WeakPolarHBondContact CD1-O 3.42Å; T274-L389 HydrophobicContact CG2-CD2 3.54Å; F384-L389 HydrophobicContact CB-CD1 4.21Å; F384-L389 HydrophobicContact CB-CD2 3.95Å; F384-L389 HydrophobicContact CB-CG 3.95Å; F384-L389 HydrophobicContact CD2-CD2 4.15Å; F384-L389 VanDerWaalsContact O-CD1 3.31Å; F384-L389 WeakPolarHBondContact O-CD1 3.49Å; P385-L389 PolarHBondContact O-N 3.34Å; P385-L389 VanDerWaalsContact O-N 3.07Å; L389-K393 VanDerWaalsContact O-CB 3.24Å; L389-K393 WeakPolarHBondContact O-CB 3.26Å; L389-K393 PolarHBondContact O-N 3.37Å
390	N	98.4	Very high	98	Very high	69 Å²	69	37.2 Å²	37.2	37%	0.369	19%	0.194	S	C	.	.	H	α-helix	trans	-71.3	-33.7	174.7	-79.7	-62.2	0	0	0	112.1	V268 D386 D387 T394	V268-N390 WeakPolarHBondContact CG2-ND2 3.27Å; D386-N390 VanDerWaalsContact O-CB 3.26Å; D386-N390 WeakPolarHBondContact O-CB 3.06Å; D386-N390 PolarHBondContact O-N 3.3Å; D386-N390 PolarHBondContact O-ND2 3.44Å; D387-N390 PolarHBondContact O-N 3.2Å; N390-T394 PolarHBondContact O-N 2.96Å; N390-T394 PolarHBondContact O-OG1 3.1Å
391	F	98.6	Very high	98.1	Very high	20 Å²	20	37 Å²	37	9%	0.088	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-53.8	175.2	-173.1	-75.8	0	0	0	110.9	F343 V356 V361 P362 P366 D387 T388 K393 T394 H395	F343-F391 HydrophobicContact CB-CE1 4.08Å; F343-F391 HydrophobicContact CB-CZ 4.1Å; F343-F391 AromaticContact CD1-CE1 3.95Å; F343-F391 HydrophobicContact CD1-CE1 3.95Å; F343-F391 AromaticContact CD2-CE1 3.6Å; F343-F391 HydrophobicContact CD2-CE1 3.6Å; F343-F391 AromaticContact CD2-CZ 3.78Å; F343-F391 HydrophobicContact CD2-CZ 3.78Å; F343-F391 HydrophobicContact CE1-CE1 4.3Å; F343-F391 AromaticContact CE2-CE1 3.98Å; F343-F391 HydrophobicContact CE2-CE1 3.98Å; F343-F391 HydrophobicContact CE2-CZ 4.44Å; F343-F391 AromaticContact CG-CE1 3.58Å; F343-F391 HydrophobicContact CG-CE1 3.58Å; F343-F391 AromaticContact CG-CZ 3.96Å; F343-F391 HydrophobicContact CG-CZ 3.96Å; F343-F391 HydrophobicContact CZ-CE1 4.32Å; V356-F391 HydrophobicContact CG1-CE2 4.14Å; V356-F391 HydrophobicContact CG1-CZ 4.05Å; V356-F391 HydrophobicContact CG2-CZ 4.38Å; V361-F391 HydrophobicContact CG2-CZ 4.05Å; P362-F391 VanDerWaalsContact CD-CD2 3.45Å; P362-F391 HydrophobicContact CG-CB 3.7Å; P362-F391 HydrophobicContact CG-CD2 4.14Å; P362-F391 HydrophobicContact CG-CG 3.92Å; P366-F391 HydrophobicContact CB-CD1 4.01Å; P366-F391 HydrophobicContact CG-CB 4.28Å; P366-F391 HydrophobicContact CG-CD1 3.51Å; P366-F391 HydrophobicContact CG-CE1 4.1Å; P366-F391 HydrophobicContact CG-CG 4.08Å; D387-F391 WeakPolarHBondContact O-CB 3.4Å; D387-F391 PolarHBondContact O-N 3.07Å; T388-F391 PolarHBondContact O-N 2.86Å; F391-K393 VanDerWaalsContact C-N 3.28Å; F391-K393 PolarHBondContact O-N 3.24Å; F391-T394 PolarHBondContact O-N 2.79Å; F391-T394 PolarHBondContact O-OG1 2.9Å; F391-T394 VanDerWaalsContact O-OG1 3.09Å; F391-H395 HydrophobicContact CD1-CB 4.1Å; F391-H395 AromaticContact CD1-ND1 3.97Å; F391-H395 AromaticContact CD2-ND1 3.94Å; F391-H395 HydrophobicContact CE1-CB 3.78Å; F391-H395 AromaticContact CE1-CG 4Å; F391-H395 AromaticContact CG-ND1 3.9Å; F391-H395 HydrophobicContact CZ-CB 4.29Å; F391-H395 WeakPolarHBondContact O-CB 3.41Å; F391-H395 PolarHBondContact O-N 2.79Å; F391-H395 PolarHBondContact O-ND1 2.88Å
392	I	98.6	Very high	98.2	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-38.4	-179.1	-156.1	179.1	0	0	0	111.8	L269 T274 L277 P366 T388 T394 H395	L269-I392 HydrophobicContact CD1-CG2 3.59Å; T274-I392 WeakPolarHBondContact O-CD1 3.35Å; L277-I392 HydrophobicContact CD2-CD1 3.92Å; L277-I392 HydrophobicContact CD2-CG1 3.72Å; L277-I392 HydrophobicContact CG-CD1 4.14Å; L277-I392 HydrophobicContact CG-CG1 4.47Å; P366-I392 HydrophobicContact CB-CB 4.11Å; P366-I392 HydrophobicContact CB-CG1 4.35Å; T388-I392 PolarHBondContact O-N 2.89Å; I392-T394 PolarHBondContact O-N 2.8Å; I392-T394 VanDerWaalsContact O-N 3.17Å; I392-H395 CarbonylContact O-C 3.28Å; I392-H395 PolarHBondContact O-N 3.19Å
393	K	98.4	Very high	98.2	Very high	72 Å²	72	35.1 Å²	35.1	31%	0.313	19%	0.188	S	C	.	.	H	α-helix	trans	-56	-32.7	174.6	-176.3	177.5	176.5	-174.3	0	113.2	W216 V268 L269 L389 F391	W216-K393 PolarHBondContact NE1-O 3.18Å; V268-K393 HydrophobicContact CG1-CD 4.43Å; L269-K393 HydrophobicContact CD1-CB 4.15Å; L269-K393 HydrophobicContact CD2-CB 4.08Å; L269-K393 HydrophobicContact CD2-CD 4.13Å; L269-K393 HydrophobicContact CD2-CG 4.03Å; L269-K393 HydrophobicContact CG-CB 4.25Å; L269-K393 HydrophobicContact CG-CD 4.39Å; L389-K393 VanDerWaalsContact O-CB 3.24Å; L389-K393 WeakPolarHBondContact O-CB 3.26Å; L389-K393 PolarHBondContact O-N 3.37Å; F391-K393 VanDerWaalsContact C-N 3.28Å; F391-K393 PolarHBondContact O-N 3.24Å
394	T	97.4	Very high	98.1	Very high	58 Å²	58	30.6 Å²	30.6	36%	0.356	17%	0.167	S	C	.	.	H	α-helix	trans	-102.6	-15.4	-175.5	50.8	0	0	0	0	114.4	K215 N390 F391 I392 P396	K215-T394 WeakPolarHBondContact CD-O 3.41Å; K215-T394 PolarHBondContact NZ-O 2.84Å; N390-T394 PolarHBondContact O-N 2.96Å; N390-T394 PolarHBondContact O-OG1 3.1Å; F391-T394 PolarHBondContact O-N 2.79Å; F391-T394 PolarHBondContact O-OG1 2.9Å; F391-T394 VanDerWaalsContact O-OG1 3.09Å; I392-T394 PolarHBondContact O-N 2.8Å; I392-T394 VanDerWaalsContact O-N 3.17Å; T394-P396 VanDerWaalsContact C-CD 3.44Å
395	H	98.1	Very high	97.8	Very high	30 Å²	30	30.9 Å²	30.9	14%	0.139	17%	0.169	C	C	.	.			trans	-129.6	53.6	-178.3	-53.9	87.7	0	0	0	113.3	F343 F391 I392 L397	F343-H395 HydrophobicContact CB-CB 4.32Å; F391-H395 HydrophobicContact CD1-CB 4.1Å; F391-H395 AromaticContact CD1-ND1 3.97Å; F391-H395 AromaticContact CD2-ND1 3.94Å; F391-H395 HydrophobicContact CE1-CB 3.78Å; F391-H395 AromaticContact CE1-CG 4Å; F391-H395 AromaticContact CG-ND1 3.9Å; F391-H395 HydrophobicContact CZ-CB 4.29Å; F391-H395 WeakPolarHBondContact O-CB 3.41Å; F391-H395 PolarHBondContact O-N 2.79Å; F391-H395 PolarHBondContact O-ND1 2.88Å; I392-H395 CarbonylContact O-C 3.28Å; I392-H395 PolarHBondContact O-N 3.19Å; H395-L397 PolarHBondContact O-N 2.84Å; H395-L397 VanDerWaalsContact O-N 3.14Å
396	P	98.4	Very high	97.2	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.019	17%	0.17	C	C	.	.			trans	-72.4	-1.1	179.8	32.4	-38.2	0	0	0	114	K215 W216 F276 L277 K278 T394	K215-P396 HydrophobicContact CB-CG 3.98Å; K215-P396 WeakPolarHBondContact O-CG 3.3Å; W216-P396 HydrophobicContact CG-CG 4.39Å; F276-P396 HydrophobicContact CD1-CB 4.03Å; F276-P396 HydrophobicContact CE1-CB 4.11Å; L277-P396 CarbonylContact C-O 3.53Å; L277-P396 WeakPolarHBondContact CA-O 3.37Å; K278-P396 WeakPolarHBondContact CG-O 3.13Å; K278-P396 PolarHBondContact N-O 3Å; T394-P396 VanDerWaalsContact C-CD 3.44Å
397	L	98.7	Very high	96.9	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.5	-174.7	178.8	62.8	0	0	0	110.7	V241 E242 K278 K344 W353 H395	V241-L397 HydrophobicContact CG2-CD2 4.12Å; E242-L397 HydrophobicContact CB-CD2 4.44Å; K278-L397 HydrophobicContact CG-CD1 4.09Å; K278-L397 WeakPolarHBondContact O-CA 3.41Å; K344-L397 HydrophobicContact CB-CD2 4.44Å; K344-L397 HydrophobicContact CB-CG 4.22Å; K344-L397 WeakPolarHBondContact CB-O 3.49Å; K344-L397 HydrophobicContact CD-CD2 4.03Å; K344-L397 HydrophobicContact CD-CG 4.36Å; K344-L397 PolarHBondContact N-O 2.84Å; W353-L397 HydrophobicContact CE3-CD2 4.3Å; W353-L397 HydrophobicContact CZ3-CD2 4.02Å; H395-L397 PolarHBondContact O-N 2.84Å; H395-L397 VanDerWaalsContact O-N 3.14Å
398	M	98.7	Very high	96.6	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	151.6	172	-52.5	-45.1	-68	0	0	111.5	L277 K278 A279 V338 F339 G341 F343	L277-M398 HydrophobicContact CB-SD 4.26Å; L277-M398 HydrophobicContact CD1-SD 3.94Å; L277-M398 HydrophobicContact CD2-SD 4.22Å; L277-M398 HydrophobicContact CG-SD 4.38Å; K278-M398 PolarHBondContact O-N 2.92Å; A279-M398 HydrophobicContact CB-CB 4.22Å; A279-M398 HydrophobicContact CB-CG 4.28Å; V338-M398 HydrophobicContact CG1-CB 4.08Å; V338-M398 HydrophobicContact CG1-CG 4.32Å; V338-M398 WeakPolarHBondContact O-CE 3.04Å; F339-M398 HydrophobicContact CD1-CG 3.76Å; F339-M398 HydrophobicContact CD1-SD 4.22Å; F339-M398 HydrophobicContact CE1-CG 4.08Å; G341-M398 VanDerWaalsContact O-CE 3.26Å; G341-M398 WeakPolarHBondContact O-CE 3.45Å; F343-M398 HydrophobicContact CD1-CE 3.84Å; F343-M398 HydrophobicContact CD1-SD 3.71Å; F343-M398 HydrophobicContact CE1-CE 3.87Å; F343-M398 HydrophobicContact CE1-SD 3.82Å; F343-M398 HydrophobicContact CG-CE 4.27Å; F343-M398 HydrophobicContact CZ-CE 4.34Å
399	D	98.3	Very high	96.4	Very high	30 Å²	30	36 Å²	36	16%	0.16	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	-42.7	177.7	-176.4	42.9	0	0	0	111.6	R342 K344 P355	R342-D399 HydrophobicContact CB-CB 4.31Å; R342-D399 IonicContact CZ-OD2 3.91Å; R342-D399 IonicContact NE-OD2 2.82Å; R342-D399 IonicContact NH2-OD2 3.18Å; R342-D399 PolarHBondContact NH2-OD2 3.06Å; R342-D399 WeakPolarHBondContact O-CB 3.46Å; R342-D399 PolarHBondContact O-N 3.21Å; K344-D399 HydrophobicContact CB-CB 4.43Å; K344-D399 HydrophobicContact CG-CB 4.26Å; K344-D399 PolarHBondContact NZ-O 2.87Å; K344-D399 IonicContact NZ-OD1 2.8Å; K344-D399 PolarHBondContact NZ-OD1 3.1Å; P355-D399 HydrophobicContact CB-CB 4.34Å; P355-D399 WeakPolarHBondContact CB-OD2 3.44Å
400	E	98.1	Very high	96.2	Very high	88 Å²	88	37.2 Å²	37.2	41%	0.411	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	161.5	-174.9	-71	164.6	-144.9	0	0	113.2	V338	V338-E400 HydrophobicContact CG1-CB 4.15Å; V338-E400 HydrophobicContact CG2-CB 4.47Å
401	A	98.4	Very high	96	Very high	36 Å²	36	34.2 Å²	34.2	30%	0.298	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.1	173.3	0	0	0	0	0	109.2	R280 N282	R280-A401 HydrophobicContact CB-CB 3.86Å; R280-A401 HydrophobicContact CG-CB 4.22Å; R280-A401 CarbonylContact O-C 3.58Å; R280-A401 WeakPolarHBondContact O-CA 3.37Å; N282-A401 HydrophobicContact CB-CB 4.25Å
402	V	98.8	Very high	95.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	121.1	179.6	-173.1	0	0	0	0	109.3	V254 A279 R280 L281 N282 Y330 D334 I335 V338	V254-V402 HydrophobicContact CG1-CG2 3.82Å; A279-V402 HydrophobicContact CB-CG2 4.15Å; R280-V402 PolarHBondContact O-N 2.78Å; L281-V402 HydrophobicContact CD2-CB 4.06Å; L281-V402 HydrophobicContact CD2-CG2 4.23Å; N282-V402 VanDerWaalsContact CB-O 3.23Å; N282-V402 WeakPolarHBondContact CB-O 3.34Å; N282-V402 PolarHBondContact N-O 2.89Å; Y330-V402 HydrophobicContact CD1-CB 4.35Å; Y330-V402 HydrophobicContact CD1-CG1 3.83Å; D334-V402 HydrophobicContact CB-CG1 4.39Å; I335-V402 HydrophobicContact CG1-CG1 3.75Å; V338-V402 HydrophobicContact CB-CG2 4.19Å; V338-V402 HydrophobicContact CG1-CG2 4.36Å; V338-V402 HydrophobicContact CG2-CB 4.49Å; V338-V402 HydrophobicContact CG2-CG2 4.08Å
403	P	97.6	Very high	95.8	Very high	39 Å²	39	35.1 Å²	35.1	25%	0.253	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	142.8	177	29.3	-34.4	0	0	0	110.2	Y330 D334 N407	Y330-P403 VanDerWaalsContact CD1-O 3.31Å; Y330-P403 WeakPolarHBondContact CD1-O 3.48Å; D334-P403 HydrophobicContact CB-CG 4.22Å; P403-N407 WeakPolarHBondContact CB-OD1 3.18Å
404	S	95.8	Very high	95.7	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.014	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-77.6	150.8	165	37.4	0	0	0	0	110	N282 A329 F406 N407	N282-S404 VanDerWaalsContact O-CB 3.3Å; N282-S404 WeakPolarHBondContact O-CB 3.24Å; N282-S404 PolarHBondContact O-OG 3.17Å; A329-S404 CarbonylContact O-C 3.58Å; A329-S404 VanDerWaalsContact O-CA 3.29Å; A329-S404 WeakPolarHBondContact O-CA 3.39Å; A329-S404 WeakPolarHBondContact O-CB 3.06Å; S404-F406 PolarHBondContact O-N 3Å; S404-F406 VanDerWaalsContact O-N 3.15Å; S404-N407 WeakPolarHBondContact O-CA 3.33Å; S404-N407 PolarHBondContact O-N 2.78Å
405	I	91.5	Very high	95.5	Very high	17 Å²	17	36.8 Å²	36.8	9%	0.087	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	118.4	178.7	-58.4	176.2	0	0	0	108.8	V310 A329 D331 W410	V310-I405 HydrophobicContact CB-CD1 4.16Å; V310-I405 HydrophobicContact CG1-CD1 3.55Å; A329-I405 HydrophobicContact CB-CB 4.43Å; A329-I405 HydrophobicContact CB-CD1 3.98Å; A329-I405 HydrophobicContact CB-CG1 4.4Å; A329-I405 PolarHBondContact O-N 2.73Å; D331-I405 HydrophobicContact CB-CD1 4.09Å; D331-I405 HydrophobicContact CB-CG1 4.26Å; I405-W410 HydrophobicContact CB-CZ2 4.17Å; I405-W410 HydrophobicContact CD1-CZ2 4.33Å; I405-W410 HydrophobicContact CG2-CZ2 4.17Å; I405-W410 PolarHBondContact O-NE1 2.7Å; I405-W410 VanDerWaalsContact O-NE1 3.16Å
406	F	84.9	Confident	95.4	Very high	68 Å²	68	36.3 Å²	36.3	30%	0.298	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	9.4	-167.6	-50.8	-71.6	0	0	0	117.4	S404 R408 F459 L460	S404-F406 PolarHBondContact O-N 3Å; S404-F406 VanDerWaalsContact O-N 3.15Å; F406-R408 HydrophobicContact CB-CG 4.25Å; F406-R408 PolarHBondContact O-N 2.91Å; F406-R408 VanDerWaalsContact O-N 3.12Å; F406-F459 HydrophobicContact CE1-CB 3.96Å; F406-F459 HydrophobicContact CE1-CD1 4.32Å; F406-F459 HydrophobicContact CZ-CB 3.77Å; F406-F459 HydrophobicContact CZ-CD1 4.27Å; F406-L460 WeakPolarHBondContact CD2-O 3.49Å; F406-L460 HydrophobicContact CE2-CB 3.83Å; F406-L460 WeakPolarHBondContact CE2-O 3.5Å; F406-L460 HydrophobicContact CZ-CB 4.42Å; F406-L460 WeakPolarHBondContact CZ-O 3.5Å
407	N	91.5	Very high	95.2	Very high	92 Å²	92	47 Å²	47	49%	0.492	22%	0.223	S	C	.	.	S	Bend	trans	53.4	27	179.4	-62.3	-61.4	0	0	0	114.3	P403 S404	P403-N407 WeakPolarHBondContact CB-OD1 3.18Å; S404-N407 WeakPolarHBondContact O-CA 3.33Å; S404-N407 PolarHBondContact O-N 2.78Å
408	R	91.8	Very high	95.1	Very high	113 Å²	113	47.6 Å²	47.6	43%	0.426	23%	0.226	S	C	.	.	S	Bend	trans	-150.6	157.7	177.5	65.8	175.6	-179.7	-103.2	5.3	110.5	F406 N461	F406-R408 HydrophobicContact CB-CG 4.25Å; F406-R408 PolarHBondContact O-N 2.91Å; F406-R408 VanDerWaalsContact O-N 3.12Å; R408-N461 PolarHBondContact NH2-O 3.33Å
409	P	94.6	Very high	95.1	Very high	12 Å²	12	48.8 Å²	48.8	8%	0.078	23%	0.23	C	C	.	.			trans	-58.9	145.9	167.3	-23.3	35.3	0	0	0	112	S284 V285 A326 V327 L412	S284-P409 WeakPolarHBondContact O-CD 3.41Å; V285-P409 HydrophobicContact CG2-CG 4.23Å; A326-P409 HydrophobicContact CB-CB 3.99Å; A326-P409 HydrophobicContact CB-CG 3.88Å; V327-P409 CarbonylContact O-C 3.58Å; V327-P409 VanDerWaalsContact O-CA 3.24Å; V327-P409 WeakPolarHBondContact O-CA 3.47Å; V327-P409 WeakPolarHBondContact O-CB 3.46Å; P409-L412 HydrophobicContact CB-CD2 4.08Å; P409-L412 HydrophobicContact CB-CG 4.13Å; P409-L412 HydrophobicContact CG-CD2 3.98Å; P409-L412 HydrophobicContact CG-CG 4.42Å
410	W	93.1	Very high	95.1	Very high	25 Å²	25	47.3 Å²	47.3	10%	0.095	22%	0.222	C	C	.	.	S	Bend	trans	-80.8	-24.4	169.7	-65.4	7.8	0	0	0	111.7	L312 V327 A329 I405 A452 L460 S463	L312-W410 HydrophobicContact CD1-CH2 4.18Å; L312-W410 HydrophobicContact CD1-CZ3 4.02Å; L312-W410 HydrophobicContact CD2-CE3 4.2Å; L312-W410 HydrophobicContact CD2-CZ3 3.92Å; L312-W410 HydrophobicContact CG-CZ3 4.17Å; V327-W410 PolarHBondContact O-N 2.79Å; A329-W410 HydrophobicContact CB-CD2 4.08Å; A329-W410 HydrophobicContact CB-CE3 4.3Å; A329-W410 HydrophobicContact CB-CH2 3.46Å; A329-W410 VanDerWaalsContact CB-CH2 3.46Å; A329-W410 HydrophobicContact CB-CZ2 3.2Å; A329-W410 HydrophobicContact CB-CZ3 4.03Å; I405-W410 HydrophobicContact CB-CZ2 4.17Å; I405-W410 HydrophobicContact CD1-CZ2 4.33Å; I405-W410 HydrophobicContact CG2-CZ2 4.17Å; I405-W410 PolarHBondContact O-NE1 2.7Å; I405-W410 VanDerWaalsContact O-NE1 3.16Å; W410-A452 HydrophobicContact CE3-CB 4.48Å; W410-A452 HydrophobicContact CZ3-CB 4.33Å; W410-L460 HydrophobicContact CH2-CD1 3.22Å; W410-L460 HydrophobicContact CZ2-CD1 3.44Å; W410-L460 VanDerWaalsContact CZ2-CD1 3.44Å; W410-L460 HydrophobicContact CZ3-CD1 3.93Å; W410-S463 WeakPolarHBondContact O-CB 3.44Å; W410-S463 PolarHBondContact O-OG 3.15Å
411	F	95.5	Very high	95.1	Very high	6 Å²	6	44 Å²	44	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	145.1	-179.3	-167.1	-100.4	0	0	0	110.5	A326 V327 R413 L420 L440 L448 F450 F465	A326-F411 WeakPolarHBondContact CA-O 3.05Å; V327-F411 HydrophobicContact CB-CB 4.08Å; V327-F411 HydrophobicContact CG2-CB 4.02Å; V327-F411 HydrophobicContact CG2-CD1 4.42Å; V327-F411 PolarHBondContact N-O 2.93Å; F411-R413 HydrophobicContact CE1-CG 3.76Å; F411-R413 HydrophobicContact CZ-CG 4.27Å; F411-L420 HydrophobicContact CD1-CD1 4.21Å; F411-L420 HydrophobicContact CE1-CD1 4.35Å; F411-L440 HydrophobicContact CD1-CD1 3.57Å; F411-L440 HydrophobicContact CE1-CD1 3.91Å; F411-L440 HydrophobicContact CG-CD1 4.29Å; F411-L448 HydrophobicContact CE1-CD2 3.69Å; F411-L448 HydrophobicContact CZ-CD2 3.88Å; F411-F450 HydrophobicContact CB-CD1 4.24Å; F411-F450 HydrophobicContact CB-CE1 3.94Å; F411-F450 HydrophobicContact CB-CZ 4.25Å; F411-F450 HydrophobicContact CD2-CB 4.28Å; F411-F450 HydrophobicContact CD2-CD1 4.03Å; F411-F450 HydrophobicContact CD2-CG 4.18Å; F411-F450 HydrophobicContact CE2-CB 4.36Å; F411-F450 HydrophobicContact CG-CD1 4.03Å; F411-F450 HydrophobicContact CG-CE1 4.2Å; F411-F465 HydrophobicContact CE2-CB 4.06Å; F411-F465 HydrophobicContact CE2-CD1 4.23Å; F411-F465 HydrophobicContact CE2-CD2 4.08Å; F411-F465 AromaticContact CE2-CG 3.87Å; F411-F465 HydrophobicContact CE2-CG 3.87Å; F411-F465 HydrophobicContact CZ-CD1 4.12Å; F411-F465 HydrophobicContact CZ-CD2 4.01Å; F411-F465 HydrophobicContact CZ-CE1 4.18Å; F411-F465 HydrophobicContact CZ-CE2 4.09Å; F411-F465 HydrophobicContact CZ-CG 4.03Å; F411-F465 HydrophobicContact CZ-CZ 4.17Å
412	L	95.9	Very high	95	Very high	25 Å²	25	45.8 Å²	45.8	13%	0.131	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.7	-176.7	-77.7	171.2	0	0	0	110.6	F20 P21 V285 F293 A326 P409	F20-L412 HydrophobicContact CE1-CD1 4.42Å; P21-L412 HydrophobicContact CB-CD1 3.88Å; P21-L412 HydrophobicContact CG-CD1 4.12Å; V285-L412 HydrophobicContact CG2-CD1 3.97Å; V285-L412 HydrophobicContact CG2-CD2 4.34Å; F293-L412 HydrophobicContact CE1-CD2 4.45Å; F293-L412 HydrophobicContact CE2-CD2 3.76Å; F293-L412 HydrophobicContact CZ-CD2 3.57Å; A326-L412 HydrophobicContact CB-CD2 3.91Å; P409-L412 HydrophobicContact CB-CD2 4.08Å; P409-L412 HydrophobicContact CB-CG 4.13Å; P409-L412 HydrophobicContact CG-CD2 3.98Å; P409-L412 HydrophobicContact CG-CG 4.42Å
413	R	97	Very high	95	Very high	17 Å²	17	46.8 Å²	46.8	6%	0.064	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	127.3	159.9	-68.6	-68.3	-98.6	169.8	-13.7	109.8	D23 E25 G324 S325 F411 V416 L448 E468	D23-R413 WeakPolarHBondContact OD2-CA 3.46Å; D23-R413 IonicContact OD2-NE 2.8Å; D23-R413 IonicContact OD2-NH1 2.71Å; E25-R413 IonicContact OE1-NH1 3.84Å; G324-R413 CarbonylContact C-O 3.51Å; G324-R413 WeakPolarHBondContact CA-O 3.44Å; S325-R413 PolarHBondContact N-O 3.02Å; S325-R413 PolarHBondContact O-N 2.76Å; F411-R413 HydrophobicContact CE1-CG 3.76Å; F411-R413 HydrophobicContact CZ-CG 4.27Å; R413-V416 HydrophobicContact CB-CG2 3.78Å; R413-L448 HydrophobicContact CG-CD2 3.78Å; R413-E468 IonicContact CZ-OE2 3.89Å; R413-E468 IonicContact NE-OE2 3.9Å; R413-E468 IonicContact NH2-OE2 3.18Å; R413-E468 PolarHBondContact NH2-OE2 2.7Å
414	T	95.2	Very high	95.1	Very high	36 Å²	36	45.4 Å²	45.4	22%	0.221	21%	0.206	C	C	.	.			trans	-136.6	-17.9	-173.6	63.5	0	0	0	0	113.4	F20 D23 V416	F20-T414 HydrophobicContact CE1-CG2 3.7Å; F20-T414 HydrophobicContact CZ-CG2 4.29Å; D23-T414 WeakPolarHBondContact OD1-CB 3.39Å; D23-T414 PolarHBondContact OD1-N 3.37Å; D23-T414 PolarHBondContact OD1-OG1 3.21Å; D23-T414 PolarHBondContact OD2-N 2.82Å; T414-V416 VanDerWaalsContact C-N 3.32Å
415	M	93.9	Very high	95.2	Very high	128 Å²	128	46.4 Å²	46.4	63%	0.631	21%	0.212	S	C	*	.	S	Bend	trans	-90.4	4.1	177.2	-59.2	-164.8	-178.5	0	0	113.1	E22 D23	E22-M415 HydrophobicContact CG-CE 3.85Å; D23-M415 HydrophobicContact CB-CG 4.26Å; D23-M415 PolarHBondContact OD2-N 3.21Å
416	V	95	Very high	95.4	Very high	20 Å²	20	45.8 Å²	45.8	12%	0.121	21%	0.209	C	C	.	.	S	Bend	trans	-102.8	152.7	-175	-61	0	0	0	0	113.4	R413 T414 Y418	R413-V416 HydrophobicContact CB-CG2 3.78Å; T414-V416 VanDerWaalsContact C-N 3.32Å; V416-Y418 HydrophobicContact CB-CD1 4.05Å; V416-Y418 HydrophobicContact CB-CD2 4.49Å; V416-Y418 HydrophobicContact CB-CE1 3.8Å; V416-Y418 HydrophobicContact CB-CE2 4.26Å; V416-Y418 HydrophobicContact CB-CG 4.39Å; V416-Y418 HydrophobicContact CG1-CE1 3.9Å; V416-Y418 HydrophobicContact CG1-CE2 4.5Å; V416-Y418 HydrophobicContact CG2-CD2 4.09Å; V416-Y418 HydrophobicContact CG2-CE1 4.36Å; V416-Y418 HydrophobicContact CG2-CE2 3.92Å; V416-Y418 HydrophobicContact CG2-CG 4.37Å; V416-Y418 WeakPolarHBondContact CG2-O 3.43Å
417	R	95.1	Very high	95.9	Very high	227 Å²	227	44.4 Å²	44.4	86%	0.857	21%	0.206	S	C	*	.	S	Bend	trans	-86.7	-4.6	178.2	-61.3	-64	-173.7	143.3	2	114.5
418	Y	96.4	Very high	96	Very high	16 Å²	16	41.1 Å²	41.1	6%	0.063	19%	0.192	C	C	.	.	S	Bend	trans	-109.6	155.4	-177.6	60	-106.3	0	0	0	111.3	V416 L420 I446 L448 E468	V416-Y418 HydrophobicContact CB-CD1 4.05Å; V416-Y418 HydrophobicContact CB-CD2 4.49Å; V416-Y418 HydrophobicContact CB-CE1 3.8Å; V416-Y418 HydrophobicContact CB-CE2 4.26Å; V416-Y418 HydrophobicContact CB-CG 4.39Å; V416-Y418 HydrophobicContact CG1-CE1 3.9Å; V416-Y418 HydrophobicContact CG1-CE2 4.5Å; V416-Y418 HydrophobicContact CG2-CD2 4.09Å; V416-Y418 HydrophobicContact CG2-CE1 4.36Å; V416-Y418 HydrophobicContact CG2-CE2 3.92Å; V416-Y418 HydrophobicContact CG2-CG 4.37Å; V416-Y418 WeakPolarHBondContact CG2-O 3.43Å; Y418-L420 HydrophobicContact CE2-CD2 4.08Å; Y418-I446 HydrophobicContact CD1-CD1 4Å; Y418-I446 HydrophobicContact CE1-CD1 3.61Å; Y418-L448 HydrophobicContact CE2-CD1 4.11Å; Y418-E468 PolarHBondContact OH-OE2 2.69Å
419	R	97.9	Very high	96.1	Very high	27 Å²	27	35.8 Å²	35.8	10%	0.102	17%	0.172	C	C	.	.			trans	-93	150.1	165.8	-63.3	166.2	-172.7	75.3	9.9	111.6	S316 S325 S442 E443	S316-R419 WeakPolarHBondContact OG-CD 3.3Å; S325-R419 WeakPolarHBondContact OG-CA 3.12Å; R419-S442 VanDerWaalsContact O-CA 3.28Å; R419-S442 WeakPolarHBondContact O-CA 3.4Å; R419-S442 WeakPolarHBondContact O-CB 3.42Å; R419-E443 HydrophobicContact CB-CG 4.11Å; R419-E443 WeakPolarHBondContact CB-OE2 3.43Å; R419-E443 WeakPolarHBondContact CG-OE2 3.27Å; R419-E443 PolarHBondContact N-OE2 3.13Å; R419-E443 IonicContact NH1-OE1 3.54Å; R419-E443 IonicContact NH1-OE2 2.66Å; R419-E443 PolarHBondContact NH1-OE2 2.83Å; R419-E443 PolarHBondContact O-N 2.86Å; R419-E443 VanDerWaalsContact O-N 3.13Å
420	L	98.5	Very high	95.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	135.7	164	-57.2	171.3	0	0	0	108.2	S325 F411 Y418 L440 G441 L448	S325-L420 PolarHBondContact OG-N 3.44Å; S325-L420 VanDerWaalsContact OG-N 3.1Å; F411-L420 HydrophobicContact CD1-CD1 4.21Å; F411-L420 HydrophobicContact CE1-CD1 4.35Å; Y418-L420 HydrophobicContact CE2-CD2 4.08Å; L420-L440 HydrophobicContact CD1-CD1 4.09Å; L420-L440 HydrophobicContact CD2-CB 4.29Å; L420-G441 CarbonylContact C-O 3.54Å; L420-G441 WeakPolarHBondContact CA-O 3.23Å; L420-L448 HydrophobicContact CD2-CD1 3.75Å; L420-L448 HydrophobicContact CD2-CD2 4.1Å; L420-L448 HydrophobicContact CD2-CG 4.48Å
421	T	97.8	Very high	95.7	Very high	18 Å²	18	35 Å²	35	11%	0.11	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	-86.5	-172.4	58.1	0	0	0	0	111.2	A298 T314 G441 E443	A298-T421 WeakPolarHBondContact CB-O 3.32Å; T314-T421 PolarHBondContact OG1-O 3.46Å; T421-G441 PolarHBondContact N-O 3.35Å; T421-G441 PolarHBondContact OG1-O 2.88Å; T421-E443 HydrophobicContact CG2-CG 3.72Å
422	K	98.2	Very high	95.4	Very high	74 Å²	74	42.5 Å²	42.5	32%	0.322	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	154.4	-175.4	-56	-66.6	162.5	154.7	0	111	L440 G441 I487 M488 M490	K422-L440 CarbonylContact O-C 3.55Å; K422-L440 WeakPolarHBondContact O-CA 3.47Å; K422-G441 PolarHBondContact O-N 3.37Å; K422-I487 HydrophobicContact CB-CG2 4.36Å; K422-I487 HydrophobicContact CG-CG2 4.1Å; K422-I487 WeakPolarHBondContact CG-O 3.37Å; K422-M488 WeakPolarHBondContact CE-O 3.46Å; K422-M488 PolarHBondContact NZ-O 3.01Å; K422-M490 HydrophobicContact CB-CE 4.05Å; K422-M490 HydrophobicContact CB-CG 4.04Å; K422-M490 HydrophobicContact CB-SD 4.38Å
423	I	98.7	Very high	95.2	Very high	20 Å²	20	46.8 Å²	46.8	10%	0.103	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.2	178.4	-177.6	162.4	0	0	0	109.7	A298 T300 L312 T314 V327 V425 V438 F439 L440	A298-I423 HydrophobicContact CB-CG2 4.15Å; T300-I423 HydrophobicContact CG2-CB 4.49Å; T300-I423 HydrophobicContact CG2-CD1 4.16Å; T300-I423 HydrophobicContact CG2-CG1 4.01Å; T300-I423 HydrophobicContact CG2-CG2 3.75Å; L312-I423 HydrophobicContact CB-CD1 3.6Å; L312-I423 HydrophobicContact CD2-CD1 4.2Å; T314-I423 HydrophobicContact CG2-CB 4.12Å; T314-I423 HydrophobicContact CG2-CD1 4.45Å; V327-I423 HydrophobicContact CG1-CD1 4.23Å; I423-V425 HydrophobicContact CD1-CG2 4.4Å; I423-V425 HydrophobicContact CG1-CG2 4.15Å; I423-V438 HydrophobicContact CD1-CG1 3.84Å; I423-V438 HydrophobicContact CG1-CG1 3.98Å; I423-F439 WeakPolarHBondContact CA-O 3.47Å; I423-L440 HydrophobicContact CB-CD2 4.31Å; I423-L440 HydrophobicContact CD1-CD2 3.85Å; I423-L440 HydrophobicContact CG1-CD2 3.95Å
424	A	98.5	Very high	94.9	Very high	11 Å²	11	49.4 Å²	49.4	9%	0.091	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.9	168.5	0	0	0	0	0	108.5	F439 M490 L492 L499	A424-F439 PolarHBondContact N-O 2.92Å; A424-F439 PolarHBondContact O-N 3.37Å; A424-M490 HydrophobicContact CB-CB 4.39Å; A424-M490 HydrophobicContact CB-CE 4.11Å; A424-L492 HydrophobicContact CB-CB 4.25Å; A424-L499 HydrophobicContact CB-CD1 3.93Å
425	V	97.9	Very high	94.7	Very high	23 Å²	23	48.4 Å²	48.4	14%	0.139	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	133.3	-173.5	-173.1	0	0	0	0	110.3	T300 I303 L312 I423 T427 T436 V437 V438	T300-V425 HydrophobicContact CG2-CG2 3.87Å; I303-V425 HydrophobicContact CD1-CB 3.72Å; I303-V425 HydrophobicContact CD1-CG1 3.58Å; I303-V425 HydrophobicContact CD1-CG2 3.84Å; L312-V425 HydrophobicContact CD2-CG2 4.17Å; I423-V425 HydrophobicContact CD1-CG2 4.4Å; I423-V425 HydrophobicContact CG1-CG2 4.15Å; V425-T427 HydrophobicContact CG1-CG2 4.15Å; V425-T436 HydrophobicContact CG1-CG2 3.7Å; V425-V437 WeakPolarHBondContact CA-O 3.16Å; V425-V438 HydrophobicContact CG1-CG2 4.06Å; V425-V438 HydrophobicContact CG2-CG1 4.24Å; V425-V438 HydrophobicContact CG2-CG2 4.16Å
426	D	96.8	Very high	94.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	106.3	165.7	-174.5	-1.9	0	0	0	109.1	A428 T436 V437 L492 R494 Y532	D426-A428 VanDerWaalsContact C-N 3.27Å; D426-A428 PolarHBondContact O-N 2.91Å; D426-A428 PolarHBondContact OD1-N 3.46Å; D426-T436 CarbonylContact O-C 3.48Å; D426-T436 VanDerWaalsContact O-CA 3.26Å; D426-T436 WeakPolarHBondContact O-CA 3.5Å; D426-V437 PolarHBondContact N-O 2.76Å; D426-V437 PolarHBondContact O-N 3.21Å; D426-L492 HydrophobicContact CB-CD1 3.88Å; D426-L492 HydrophobicContact CB-CD2 4.12Å; D426-R494 IonicContact OD1-CZ 2.82Å; D426-R494 IonicContact OD1-NE 2.63Å; D426-R494 PolarHBondContact OD1-NE 3.2Å; D426-R494 IonicContact OD1-NH2 3.76Å; D426-R494 PolarHBondContact OD1-NH2 3.21Å; D426-Y532 WeakPolarHBondContact CB-OH 3.44Å; D426-Y532 VanDerWaalsContact CG-OH 3.29Å; D426-Y532 WeakPolarHBondContact OD2-CE1 3.38Å; D426-Y532 PolarHBondContact OD2-OH 3.45Å
427	T	94.8	Very high	94.8	Very high	38 Å²	38	41.6 Å²	41.6	23%	0.233	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-3.9	177.5	55.2	0	0	0	0	115	I303 I305 V425 H435 R494	I303-T427 HydrophobicContact CB-CG2 4.04Å; I303-T427 HydrophobicContact CD1-CG2 4.06Å; I303-T427 HydrophobicContact CG1-CG2 4.41Å; I305-T427 HydrophobicContact CD1-CG2 4.47Å; I305-T427 HydrophobicContact CG1-CG2 3.85Å; V425-T427 HydrophobicContact CG1-CG2 4.15Å; T427-H435 CarbonylContact C-O 3.57Å; T427-R494 PolarHBondContact OG1-NH2 3.31Å
428	A	94	Very high	95	Very high	24 Å²	24	30.8 Å²	30.8	20%	0.198	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	37.1	-167.5	0	0	0	0	0	111.1	D426 Q433	D426-A428 VanDerWaalsContact C-N 3.27Å; D426-A428 PolarHBondContact O-N 2.91Å; D426-A428 PolarHBondContact OD1-N 3.46Å; A428-Q433 WeakPolarHBondContact CA-O 3.28Å; A428-Q433 HydrophobicContact CB-CB 4.15Å; A428-Q433 WeakPolarHBondContact O-CA 3.41Å
429	A	93.4	Very high	95.1	Very high	1 Å²	1	30 Å²	30	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	149.5	-175.2	0	0	0	0	0	112	H435 V437 P531 Y532	A429-H435 HydrophobicContact CB-CB 4.37Å; A429-H435 WeakPolarHBondContact CB-O 3.3Å; A429-H435 PolarHBondContact N-O 2.97Å; A429-H435 PolarHBondContact O-N 2.85Å; A429-V437 HydrophobicContact CB-CB 4.31Å; A429-V437 HydrophobicContact CB-CG2 3.69Å; A429-P531 HydrophobicContact CB-CB 4.2Å; A429-Y532 HydrophobicContact CB-CE1 3.88Å; A429-Y532 HydrophobicContact CB-CE2 4.42Å
430	G	91	Very high	95.1	Very high	5 Å²	5	28.8 Å²	28.8	5%	0.052	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	177.4	176.1	0	0	0	0	0	115.7	Y432 Q433 P531	G430-Y432 VanDerWaalsContact C-N 3.33Å; G430-Y432 PolarHBondContact O-N 3.49Å; G430-Q433 PolarHBondContact O-N 3.5Å; G430-P531 WeakPolarHBondContact CA-O 3.39Å
431	P	88.8	Confident	95.1	Very high	15 Å²	15	28.8 Å²	28.8	10%	0.097	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-35.3	-165.7	23.5	-34.7	0	0	0	113.5	L545 F553	P431-L545 HydrophobicContact CG-CD1 3.95Å; P431-F553 HydrophobicContact CB-CE1 4.13Å; P431-F553 HydrophobicContact CB-CE2 4.2Å; P431-F553 HydrophobicContact CB-CZ 3.61Å; P431-F553 HydrophobicContact CG-CE1 4.47Å; P431-F553 HydrophobicContact CG-CE2 3.65Å; P431-F553 HydrophobicContact CG-CZ 3.54Å
432	Y	89.8	Confident	95.2	Very high	164 Å²	164	27.9 Å²	27.9	64%	0.643	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	8	178.1	-48.2	-70.7	0	0	0	113.6	G430 N434 F553	G430-Y432 VanDerWaalsContact C-N 3.33Å; G430-Y432 PolarHBondContact O-N 3.49Å; Y432-N434 WeakPolarHBondContact CB-OD1 3.24Å; Y432-N434 PolarHBondContact O-N 2.81Å; Y432-N434 VanDerWaalsContact O-N 3.14Å; Y432-F553 HydrophobicContact CE2-CZ 4.29Å
433	Q	91.3	Very high	95.1	Very high	115 Å²	115	26.6 Å²	26.6	54%	0.537	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	32.3	177.7	-61.6	-174.6	11.3	0	0	114.7	A428 G430 P547	A428-Q433 WeakPolarHBondContact CA-O 3.28Å; A428-Q433 HydrophobicContact CB-CB 4.15Å; A428-Q433 WeakPolarHBondContact O-CA 3.41Å; G430-Q433 PolarHBondContact O-N 3.5Å; Q433-P547 HydrophobicContact CG-CB 4.28Å; Q433-P547 HydrophobicContact CG-CG 4.12Å
434	N	89.1	Confident	95	Very high	71 Å²	71	31.3 Å²	31.3	38%	0.38	15%	0.154	S	C	.	.			trans	-115.9	-7.4	-166.9	65.6	-49.3	0	0	0	114.1	Y432	Y432-N434 WeakPolarHBondContact CB-OD1 3.24Å; Y432-N434 PolarHBondContact O-N 2.81Å; Y432-N434 VanDerWaalsContact O-N 3.14Å
435	H	92	Very high	95	Very high	16 Å²	16	30.8 Å²	30.8	7%	0.074	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	142.8	179.5	-61.4	-81.7	0	0	0	111	T427 A429 L451 P531 I557 E558	T427-H435 CarbonylContact C-O 3.57Å; A429-H435 HydrophobicContact CB-CB 4.37Å; A429-H435 WeakPolarHBondContact CB-O 3.3Å; A429-H435 PolarHBondContact N-O 2.97Å; A429-H435 PolarHBondContact O-N 2.85Å; H435-L451 HydrophobicContact CB-CD1 3.93Å; H435-P531 HydrophobicContact CB-CB 3.89Å; H435-P531 HydrophobicContact CB-CG 3.81Å; H435-I557 WeakPolarHBondContact NE2-CD1 3.42Å; H435-E558 IonicContact CE1-OE1 2.73Å; H435-E558 PolarHBondContact CE1-OE1 2.73Å
436	T	94.5	Very high	95	Very high	4 Å²	4	31 Å²	31	3%	0.025	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	113	174	-65.3	0	0	0	0	110.9	I305 V425 D426 A452	I305-T436 HydrophobicContact CD1-CG2 3.79Å; I305-T436 HydrophobicContact CG1-CG2 4.19Å; V425-T436 HydrophobicContact CG1-CG2 3.7Å; D426-T436 CarbonylContact O-C 3.48Å; D426-T436 VanDerWaalsContact O-CA 3.26Å; D426-T436 WeakPolarHBondContact O-CA 3.5Å; T436-A452 HydrophobicContact CG2-CB 4.3Å; T436-A452 PolarHBondContact O-N 2.82Å
437	V	96.9	Very high	95.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.2	177.3	-179.9	0	0	0	0	109.9	V425 D426 A429 F439 K449 F450 P531 Y532	V425-V437 WeakPolarHBondContact CA-O 3.16Å; D426-V437 PolarHBondContact N-O 2.76Å; D426-V437 PolarHBondContact O-N 3.21Å; A429-V437 HydrophobicContact CB-CB 4.31Å; A429-V437 HydrophobicContact CB-CG2 3.69Å; V437-F439 HydrophobicContact CB-CE2 4.42Å; V437-F439 HydrophobicContact CG1-CD2 4.27Å; V437-F439 HydrophobicContact CG1-CE2 3.7Å; V437-F439 HydrophobicContact CG1-CZ 3.94Å; V437-K449 HydrophobicContact CG1-CD 4.47Å; V437-K449 HydrophobicContact CG1-CG 3.85Å; V437-F450 WeakPolarHBondContact CA-O 3.39Å; V437-P531 HydrophobicContact CG2-CB 4.42Å; V437-P531 HydrophobicContact CG2-CG 3.83Å; V437-Y532 HydrophobicContact CB-CE2 4.28Å; V437-Y532 HydrophobicContact CG1-CE2 4.19Å; V437-Y532 HydrophobicContact CG2-CE2 4.12Å
438	V	98.2	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132	-179.8	-178.9	0	0	0	0	109.6	L312 I423 V425 L440 K449 F450	L312-V438 HydrophobicContact CD2-CG1 4.39Å; L312-V438 HydrophobicContact CD2-CG2 3.79Å; I423-V438 HydrophobicContact CD1-CG1 3.84Å; I423-V438 HydrophobicContact CG1-CG1 3.98Å; V425-V438 HydrophobicContact CG1-CG2 4.06Å; V425-V438 HydrophobicContact CG2-CG1 4.24Å; V425-V438 HydrophobicContact CG2-CG2 4.16Å; V438-L440 HydrophobicContact CG1-CD2 3.74Å; V438-L440 HydrophobicContact CG1-CG 4.29Å; V438-K449 WeakPolarHBondContact O-CA 3.24Å; V438-F450 HydrophobicContact CB-CD1 3.88Å; V438-F450 HydrophobicContact CB-CD2 4.25Å; V438-F450 HydrophobicContact CB-CE1 3.5Å; V438-F450 VanDerWaalsContact CB-CE1 3.5Å; V438-F450 HydrophobicContact CB-CE2 3.91Å; V438-F450 HydrophobicContact CB-CG 4.25Å; V438-F450 HydrophobicContact CB-CZ 3.52Å; V438-F450 HydrophobicContact CG1-CD1 4.11Å; V438-F450 HydrophobicContact CG1-CE1 3.41Å; V438-F450 VanDerWaalsContact CG1-CE1 3.41Å; V438-F450 HydrophobicContact CG1-CZ 3.69Å; V438-F450 HydrophobicContact CG2-CD2 4.47Å; V438-F450 HydrophobicContact CG2-CE1 4.17Å; V438-F450 HydrophobicContact CG2-CE2 3.82Å; V438-F450 HydrophobicContact CG2-CZ 3.65Å; V438-F450 PolarHBondContact N-O 3.34Å; V438-F450 PolarHBondContact O-N 3.39Å
439	F	98.8	Very high	95.5	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.5	174.9	-62	-95.7	0	0	0	109.5	I423 A424 V437 I447 L448 K449 M469 M490 L492 L499 L512 Y532	I423-F439 WeakPolarHBondContact CA-O 3.47Å; A424-F439 PolarHBondContact N-O 2.92Å; A424-F439 PolarHBondContact O-N 3.37Å; V437-F439 HydrophobicContact CB-CE2 4.42Å; V437-F439 HydrophobicContact CG1-CD2 4.27Å; V437-F439 HydrophobicContact CG1-CE2 3.7Å; V437-F439 HydrophobicContact CG1-CZ 3.94Å; F439-I447 HydrophobicContact CB-CG2 4.31Å; F439-I447 HydrophobicContact CD1-CG2 4.34Å; F439-L448 WeakPolarHBondContact CA-O 3.34Å; F439-K449 HydrophobicContact CD1-CB 4.18Å; F439-K449 HydrophobicContact CD1-CD 4.49Å; F439-K449 HydrophobicContact CD1-CG 4.09Å; F439-K449 HydrophobicContact CE1-CB 4.26Å; F439-K449 HydrophobicContact CE1-CD 3.76Å; F439-K449 HydrophobicContact CE1-CG 3.78Å; F439-K449 HydrophobicContact CZ-CD 4.21Å; F439-K449 HydrophobicContact CZ-CG 4.26Å; F439-M469 HydrophobicContact CD1-CE 4.25Å; F439-M469 HydrophobicContact CE1-CE 4.24Å; F439-M490 HydrophobicContact CB-CE 4.46Å; F439-M490 WeakPolarHBondContact O-CE 3.38Å; F439-L492 HydrophobicContact CD2-CD1 3.78Å; F439-L492 HydrophobicContact CE2-CD1 3.64Å; F439-L499 HydrophobicContact CB-CD2 3.95Å; F439-L499 HydrophobicContact CD1-CD2 3.81Å; F439-L499 HydrophobicContact CE1-CD2 4.48Å; F439-L499 HydrophobicContact CG-CD2 3.94Å; F439-L512 HydrophobicContact CE1-CD2 4.41Å; F439-L512 HydrophobicContact CE2-CD2 3.83Å; F439-L512 HydrophobicContact CZ-CB 4.45Å; F439-L512 HydrophobicContact CZ-CD2 3.63Å; F439-Y532 HydrophobicContact CZ-CE2 4.09Å
440	L	98.9	Very high	95.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.8	-177.4	-52.8	174.7	0	0	0	110.1	T314 V327 F411 L420 K422 I423 V438 I447 L448 F450	T314-L440 HydrophobicContact CG2-CD2 4.18Å; V327-L440 HydrophobicContact CG2-CD1 3.63Å; V327-L440 HydrophobicContact CG2-CD2 3.78Å; V327-L440 HydrophobicContact CG2-CG 4.37Å; F411-L440 HydrophobicContact CD1-CD1 3.57Å; F411-L440 HydrophobicContact CE1-CD1 3.91Å; F411-L440 HydrophobicContact CG-CD1 4.29Å; L420-L440 HydrophobicContact CD1-CD1 4.09Å; L420-L440 HydrophobicContact CD2-CB 4.29Å; K422-L440 CarbonylContact O-C 3.55Å; K422-L440 WeakPolarHBondContact O-CA 3.47Å; I423-L440 HydrophobicContact CB-CD2 4.31Å; I423-L440 HydrophobicContact CD1-CD2 3.85Å; I423-L440 HydrophobicContact CG1-CD2 3.95Å; V438-L440 HydrophobicContact CG1-CD2 3.74Å; V438-L440 HydrophobicContact CG1-CG 4.29Å; L440-I447 CarbonylContact O-C 3.52Å; L440-I447 WeakPolarHBondContact O-CA 3.16Å; L440-L448 HydrophobicContact CB-CB 4.31Å; L440-L448 PolarHBondContact N-O 2.94Å; L440-L448 PolarHBondContact O-N 3.27Å; L440-F450 HydrophobicContact CD1-CD1 3.93Å; L440-F450 HydrophobicContact CD1-CE1 3.83Å; L440-F450 HydrophobicContact CD2-CE1 4.22Å; L440-F450 HydrophobicContact CG-CD1 4.27Å; L440-F450 HydrophobicContact CG-CE1 4.1Å
441	G	98.6	Very high	95.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	164.9	172.5	0	0	0	0	0	112.5	L420 T421 K422	L420-G441 CarbonylContact C-O 3.54Å; L420-G441 WeakPolarHBondContact CA-O 3.23Å; T421-G441 PolarHBondContact N-O 3.35Å; T421-G441 PolarHBondContact OG1-O 2.88Å; K422-G441 PolarHBondContact O-N 3.37Å
442	S	98.4	Very high	96	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	170.2	-178.7	67.3	0	0	0	0	114.3	R419 K444 G445 I446 I487	R419-S442 VanDerWaalsContact O-CA 3.28Å; R419-S442 WeakPolarHBondContact O-CA 3.4Å; R419-S442 WeakPolarHBondContact O-CB 3.42Å; S442-K444 PolarHBondContact O-N 3.26Å; S442-K444 PolarHBondContact OG-N 3.05Å; S442-G445 PolarHBondContact OG-N 2.9Å; S442-I446 WeakPolarHBondContact CB-O 3.42Å; S442-I446 PolarHBondContact N-O 3.18Å; S442-I446 PolarHBondContact OG-N 3.07Å; S442-I446 VanDerWaalsContact OG-N 3.08Å; S442-I446 PolarHBondContact OG-O 2.87Å; S442-I487 PolarHBondContact O-N 3.21Å
443	E	97.1	Very high	95.4	Very high	46 Å²	46	23.4 Å²	23.4	22%	0.215	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-3.8	170.4	-62.5	179.6	135.5	0	0	114.1	R419 T421	R419-E443 HydrophobicContact CB-CG 4.11Å; R419-E443 WeakPolarHBondContact CB-OE2 3.43Å; R419-E443 WeakPolarHBondContact CG-OE2 3.27Å; R419-E443 PolarHBondContact N-OE2 3.13Å; R419-E443 IonicContact NH1-OE1 3.54Å; R419-E443 IonicContact NH1-OE2 2.66Å; R419-E443 PolarHBondContact NH1-OE2 2.83Å; R419-E443 PolarHBondContact O-N 2.86Å; R419-E443 VanDerWaalsContact O-N 3.13Å; T421-E443 HydrophobicContact CG2-CG 3.72Å
444	K	97.1	Very high	94.2	Very high	120 Å²	120	21.5 Å²	21.5	52%	0.522	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	10.3	-173	-68.2	-63.2	-175.8	-178.1	0	115.4	S442 I446 K485	S442-K444 PolarHBondContact O-N 3.26Å; S442-K444 PolarHBondContact OG-N 3.05Å; K444-I446 VanDerWaalsContact C-N 3.25Å; K444-I446 PolarHBondContact O-N 3.44Å; K444-K485 CarbonylContact C-O 3.56Å; K444-K485 VanDerWaalsContact C-O 3.28Å
445	G	97.4	Very high	93	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	78.1	12.9	176.3	0	0	0	0	0	114.1	S442 V471 K485	S442-G445 PolarHBondContact OG-N 2.9Å; G445-V471 WeakPolarHBondContact O-CG2 3.34Å; G445-V471 PolarHBondContact O-N 2.79Å; G445-K485 WeakPolarHBondContact CA-O 3.47Å; G445-K485 PolarHBondContact N-O 2.81Å
446	I	98.4	Very high	90.9	Very high	27 Å²	27	26.1 Å²	26.1	14%	0.138	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	137.7	169.2	-57.5	168.1	0	0	0	108	Y418 S442 K444 L448 E468 M469	Y418-I446 HydrophobicContact CD1-CD1 4Å; Y418-I446 HydrophobicContact CE1-CD1 3.61Å; S442-I446 WeakPolarHBondContact CB-O 3.42Å; S442-I446 PolarHBondContact N-O 3.18Å; S442-I446 PolarHBondContact OG-N 3.07Å; S442-I446 VanDerWaalsContact OG-N 3.08Å; S442-I446 PolarHBondContact OG-O 2.87Å; K444-I446 VanDerWaalsContact C-N 3.25Å; K444-I446 PolarHBondContact O-N 3.44Å; I446-L448 HydrophobicContact CG2-CD1 4.01Å; I446-E468 HydrophobicContact CG2-CG 3.36Å; I446-M469 CarbonylContact C-O 3.41Å; I446-M469 VanDerWaalsContact CA-O 3.31Å; I446-M469 WeakPolarHBondContact CA-O 3.46Å
447	I	98.6	Very high	89	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.5	170	-62	178.7	0	0	0	108.8	F439 L440 M469 V471 I487 M490 L499 V501	F439-I447 HydrophobicContact CB-CG2 4.31Å; F439-I447 HydrophobicContact CD1-CG2 4.34Å; L440-I447 CarbonylContact O-C 3.52Å; L440-I447 WeakPolarHBondContact O-CA 3.16Å; I447-M469 HydrophobicContact CB-CE 4.44Å; I447-M469 HydrophobicContact CB-CG 3.84Å; I447-M469 HydrophobicContact CB-SD 4.44Å; I447-M469 HydrophobicContact CG2-CE 4.05Å; I447-M469 HydrophobicContact CG2-CG 4.44Å; I447-M469 PolarHBondContact N-O 2.84Å; I447-M469 WeakPolarHBondContact O-CG 3.3Å; I447-M469 PolarHBondContact O-N 3.04Å; I447-V471 HydrophobicContact CD1-CG1 4.36Å; I447-V471 HydrophobicContact CD1-CG2 3.77Å; I447-V471 HydrophobicContact CG1-CG2 4.07Å; I447-I487 HydrophobicContact CD1-CD1 4.12Å; I447-I487 HydrophobicContact CG1-CD1 3.63Å; I447-M490 HydrophobicContact CD1-SD 4.03Å; I447-M490 HydrophobicContact CG1-SD 4.37Å; I447-L499 HydrophobicContact CD1-CD2 4.02Å; I447-L499 HydrophobicContact CG2-CD2 4.49Å; I447-V501 HydrophobicContact CD1-CB 4.37Å; I447-V501 HydrophobicContact CD1-CG1 3.95Å; I447-V501 HydrophobicContact CD1-CG2 3.47Å; I447-V501 VanDerWaalsContact CD1-CG2 3.47Å
448	L	98.7	Very high	86.7	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130	175.8	-65	77.2	0	0	0	108.1	F411 R413 Y418 L420 F439 L440 I446 F465 E468	F411-L448 HydrophobicContact CE1-CD2 3.69Å; F411-L448 HydrophobicContact CZ-CD2 3.88Å; R413-L448 HydrophobicContact CG-CD2 3.78Å; Y418-L448 HydrophobicContact CE2-CD1 4.11Å; L420-L448 HydrophobicContact CD2-CD1 3.75Å; L420-L448 HydrophobicContact CD2-CD2 4.1Å; L420-L448 HydrophobicContact CD2-CG 4.48Å; F439-L448 WeakPolarHBondContact CA-O 3.34Å; L440-L448 HydrophobicContact CB-CB 4.31Å; L440-L448 PolarHBondContact N-O 2.94Å; L440-L448 PolarHBondContact O-N 3.27Å; I446-L448 HydrophobicContact CG2-CD1 4.01Å; L448-F465 HydrophobicContact CB-CE2 3.73Å; L448-F465 HydrophobicContact CB-CZ 4.18Å; L448-F465 HydrophobicContact CD2-CE1 4.46Å; L448-F465 HydrophobicContact CD2-CE2 4.01Å; L448-F465 HydrophobicContact CD2-CZ 3.61Å; L448-F465 HydrophobicContact CG-CE2 3.94Å; L448-F465 HydrophobicContact CG-CZ 3.86Å; L448-E468 HydrophobicContact CG-CG 4.25Å
449	K	98.5	Very high	84.5	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122	-178.5	178.9	-174.1	175.8	176.7	0	109.3	V437 V438 F439 L466 E467 M469 L512 D530	V437-K449 HydrophobicContact CG1-CD 4.47Å; V437-K449 HydrophobicContact CG1-CG 3.85Å; V438-K449 WeakPolarHBondContact O-CA 3.24Å; F439-K449 HydrophobicContact CD1-CB 4.18Å; F439-K449 HydrophobicContact CD1-CD 4.49Å; F439-K449 HydrophobicContact CD1-CG 4.09Å; F439-K449 HydrophobicContact CE1-CB 4.26Å; F439-K449 HydrophobicContact CE1-CD 3.76Å; F439-K449 HydrophobicContact CE1-CG 3.78Å; F439-K449 HydrophobicContact CZ-CD 4.21Å; F439-K449 HydrophobicContact CZ-CG 4.26Å; K449-L466 HydrophobicContact CD-CB 4.43Å; K449-L466 HydrophobicContact CD-CD1 4.42Å; K449-L466 HydrophobicContact CG-CB 4.33Å; K449-L466 HydrophobicContact CG-CD1 4.31Å; K449-L466 PolarHBondContact O-N 3.35Å; K449-E467 HydrophobicContact CB-CB 4.19Å; K449-E467 HydrophobicContact CD-CB 4.43Å; K449-E467 PolarHBondContact N-O 2.85Å; K449-E467 PolarHBondContact O-N 3.2Å; K449-M469 HydrophobicContact CB-CE 4.16Å; K449-L512 PolarHBondContact NZ-O 3.41Å; K449-D530 WeakPolarHBondContact CE-OD1 3.37Å; K449-D530 IonicContact NZ-OD1 2.75Å; K449-D530 PolarHBondContact NZ-OD1 3.18Å; K449-D530 IonicContact NZ-OD2 2.84Å; K449-D530 PolarHBondContact NZ-OD2 3.37Å
450	F	97.1	Very high	82.5	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	149.3	177	80.1	-101.3	0	0	0	112.8	F411 V437 V438 L440 A452 L464	F411-F450 HydrophobicContact CB-CD1 4.24Å; F411-F450 HydrophobicContact CB-CE1 3.94Å; F411-F450 HydrophobicContact CB-CZ 4.25Å; F411-F450 HydrophobicContact CD2-CB 4.28Å; F411-F450 HydrophobicContact CD2-CD1 4.03Å; F411-F450 HydrophobicContact CD2-CG 4.18Å; F411-F450 HydrophobicContact CE2-CB 4.36Å; F411-F450 HydrophobicContact CG-CD1 4.03Å; F411-F450 HydrophobicContact CG-CE1 4.2Å; V437-F450 WeakPolarHBondContact CA-O 3.39Å; V438-F450 HydrophobicContact CB-CD1 3.88Å; V438-F450 HydrophobicContact CB-CD2 4.25Å; V438-F450 HydrophobicContact CB-CE1 3.5Å; V438-F450 VanDerWaalsContact CB-CE1 3.5Å; V438-F450 HydrophobicContact CB-CE2 3.91Å; V438-F450 HydrophobicContact CB-CG 4.25Å; V438-F450 HydrophobicContact CB-CZ 3.52Å; V438-F450 HydrophobicContact CG1-CD1 4.11Å; V438-F450 HydrophobicContact CG1-CE1 3.41Å; V438-F450 VanDerWaalsContact CG1-CE1 3.41Å; V438-F450 HydrophobicContact CG1-CZ 3.69Å; V438-F450 HydrophobicContact CG2-CD2 4.47Å; V438-F450 HydrophobicContact CG2-CE1 4.17Å; V438-F450 HydrophobicContact CG2-CE2 3.82Å; V438-F450 HydrophobicContact CG2-CZ 3.65Å; V438-F450 PolarHBondContact N-O 3.34Å; V438-F450 PolarHBondContact O-N 3.39Å; L440-F450 HydrophobicContact CD1-CD1 3.93Å; L440-F450 HydrophobicContact CD1-CE1 3.83Å; L440-F450 HydrophobicContact CD2-CE1 4.22Å; L440-F450 HydrophobicContact CG-CD1 4.27Å; L440-F450 HydrophobicContact CG-CE1 4.1Å; F450-A452 HydrophobicContact CE2-CB 4.45Å; F450-L464 CarbonylContact C-O 3.53Å; F450-L464 WeakPolarHBondContact CA-O 3.43Å; F450-L464 WeakPolarHBondContact CB-O 3.05Å
451	L	95.1	Very high	80.7	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128	171.1	168.2	67.7	0	0	0	109.2	H435 R453 S463 L464 L466 P531 I557	H435-L451 HydrophobicContact CB-CD1 3.93Å; L451-R453 HydrophobicContact CD2-CG 4.22Å; L451-R453 HydrophobicContact CG-CG 4.26Å; L451-R453 PolarHBondContact O-N 2.86Å; L451-S463 CarbonylContact O-C 3.58Å; L451-S463 VanDerWaalsContact O-CA 3.3Å; L451-S463 WeakPolarHBondContact O-CA 3.25Å; L451-L464 HydrophobicContact CB-CB 4.3Å; L451-L464 HydrophobicContact CD2-CD2 4.4Å; L451-L464 PolarHBondContact N-O 2.78Å; L451-L464 PolarHBondContact O-N 3.14Å; L451-L466 HydrophobicContact CB-CD1 4.09Å; L451-L466 HydrophobicContact CB-CD2 4.36Å; L451-L466 HydrophobicContact CB-CG 4.26Å; L451-P531 HydrophobicContact CD1-CG 4.1Å; L451-I557 HydrophobicContact CD2-CG2 3.45Å; L451-I557 VanDerWaalsContact CD2-CG2 3.45Å
452	A	90.8	Very high	79.4	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.033	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	113.5	168.8	0	0	0	0	0	108.9	W410 T436 F450 I454 L460	W410-A452 HydrophobicContact CE3-CB 4.48Å; W410-A452 HydrophobicContact CZ3-CB 4.33Å; T436-A452 HydrophobicContact CG2-CB 4.3Å; T436-A452 PolarHBondContact O-N 2.82Å; F450-A452 HydrophobicContact CE2-CB 4.45Å; A452-I454 PolarHBondContact O-N 2.98Å; A452-L460 HydrophobicContact CB-CD2 4.22Å
453	R	77.6	Confident	79	Confident	82 Å²	82	46.3 Å²	46.3	31%	0.309	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	111.4	-173.3	-73.7	-168.6	-82.3	161.2	-9.7	111.5	L451 G455 L460 N461 D462 S463 L464	L451-R453 HydrophobicContact CD2-CG 4.22Å; L451-R453 HydrophobicContact CG-CG 4.26Å; L451-R453 PolarHBondContact O-N 2.86Å; R453-G455 PolarHBondContact O-N 2.97Å; R453-L460 CarbonylContact O-C 3.51Å; R453-L460 WeakPolarHBondContact O-CA 3.4Å; R453-N461 PolarHBondContact O-N 3.26Å; R453-D462 HydrophobicContact CB-CB 4.5Å; R453-D462 WeakPolarHBondContact CB-O 3.24Å; R453-D462 IonicContact CZ-OD2 3.52Å; R453-D462 VanDerWaalsContact CZ-OD2 3.31Å; R453-D462 PolarHBondContact N-O 2.73Å; R453-D462 IonicContact NH1-OD2 3.43Å; R453-D462 VanDerWaalsContact NH2-CG 3.28Å; R453-D462 IonicContact NH2-OD1 3.95Å; R453-D462 IonicContact NH2-OD2 2.8Å; R453-D462 PolarHBondContact NH2-OD2 2.95Å; R453-S463 PolarHBondContact NE-O 2.87Å; R453-S463 PolarHBondContact NH2-O 3.03Å; R453-L464 HydrophobicContact CG-CB 4.27Å
454	I	67.4	Low	78.8	Confident	74 Å²	74	45.3 Å²	45.3	38%	0.379	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	122.6	169.9	-52.4	169.7	0	0	0	108.5	N306 A452 L460	N306-I454 WeakPolarHBondContact ND2-CG2 3.39Å; N306-I454 VanDerWaalsContact OD1-CD1 3.23Å; N306-I454 WeakPolarHBondContact OD1-CD1 3.36Å; N306-I454 WeakPolarHBondContact OD1-CG1 3.4Å; A452-I454 PolarHBondContact O-N 2.98Å; I454-L460 HydrophobicContact CB-CD2 4.35Å; I454-L460 HydrophobicContact CG1-CD2 3.66Å
455	G	62.3	Low	78.8	Confident	7 Å²	7	39.9 Å²	39.9	7%	0.072	22%	0.221	C	C	.	.			trans	-82.5	159.1	173.5	0	0	0	0	0	112.5	R453 S457 G458 F459	R453-G455 PolarHBondContact O-N 2.97Å; G455-S457 PolarHBondContact O-N 2.8Å; G455-G458 PolarHBondContact O-N 3.38Å; G455-F459 WeakPolarHBondContact CA-O 3.48Å; G455-F459 PolarHBondContact N-O 2.85Å
456	N	49.4	Very low	78.8	Confident	177 Å²	177	40 Å²	40	95%	0.947	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-13.2	-177.8	-61.8	28.1	0	0	0	114.8
457	S	52.9	Low	78.8	Confident	78 Å²	78	39 Å²	39	55%	0.545	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-1	175.2	54.8	0	0	0	0	113.9	G455 F459	G455-S457 PolarHBondContact O-N 2.8Å; S457-F459 VanDerWaalsContact O-CD2 3.23Å; S457-F459 WeakPolarHBondContact O-CD2 3.36Å; S457-F459 PolarHBondContact O-N 3.41Å
458	G	50.5	Low	78.8	Confident	45 Å²	45	40.6 Å²	40.6	46%	0.464	22%	0.224	S	C	.	.	S	Bend	trans	84.6	-9.9	-173.1	0	0	0	0	0	114.3	N306 G455	N306-G458 PolarHBondContact ND2-O 2.92Å; G455-G458 PolarHBondContact O-N 3.38Å
459	F	50.5	Low	78.7	Confident	102 Å²	102	40.6 Å²	40.6	45%	0.447	22%	0.224	S	C	.	.	S	Bend	trans	-89.7	145	175.8	-64.1	-89.1	0	0	0	110.2	F406 G455 S457 N461	F406-F459 HydrophobicContact CE1-CB 3.96Å; F406-F459 HydrophobicContact CE1-CD1 4.32Å; F406-F459 HydrophobicContact CZ-CB 3.77Å; F406-F459 HydrophobicContact CZ-CD1 4.27Å; G455-F459 WeakPolarHBondContact CA-O 3.48Å; G455-F459 PolarHBondContact N-O 2.85Å; S457-F459 VanDerWaalsContact O-CD2 3.23Å; S457-F459 WeakPolarHBondContact O-CD2 3.36Å; S457-F459 PolarHBondContact O-N 3.41Å; F459-N461 PolarHBondContact O-N 2.87Å
460	L	57.4	Low	78.7	Confident	15 Å²	15	42.6 Å²	42.6	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	117.5	177.7	-59.3	154.4	0	0	0	109.4	I305 F406 W410 A452 R453 I454	I305-L460 HydrophobicContact CG2-CD1 4.03Å; I305-L460 HydrophobicContact CG2-CD2 4.4Å; F406-L460 WeakPolarHBondContact CD2-O 3.49Å; F406-L460 HydrophobicContact CE2-CB 3.83Å; F406-L460 WeakPolarHBondContact CE2-O 3.5Å; F406-L460 HydrophobicContact CZ-CB 4.42Å; F406-L460 WeakPolarHBondContact CZ-O 3.5Å; W410-L460 HydrophobicContact CH2-CD1 3.22Å; W410-L460 HydrophobicContact CZ2-CD1 3.44Å; W410-L460 VanDerWaalsContact CZ2-CD1 3.44Å; W410-L460 HydrophobicContact CZ3-CD1 3.93Å; A452-L460 HydrophobicContact CB-CD2 4.22Å; R453-L460 CarbonylContact O-C 3.51Å; R453-L460 WeakPolarHBondContact O-CA 3.4Å; I454-L460 HydrophobicContact CB-CD2 4.35Å; I454-L460 HydrophobicContact CG1-CD2 3.66Å
461	N	60.9	Low	78.7	Confident	88 Å²	88	42.6 Å²	42.6	47%	0.471	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-35.3	-174.3	-80.1	-3.9	0	0	0	112.5	R408 R453 F459	R408-N461 PolarHBondContact NH2-O 3.33Å; R453-N461 PolarHBondContact O-N 3.26Å; F459-N461 PolarHBondContact O-N 2.87Å
462	D	72.2	Confident	78.8	Confident	87 Å²	87	42.7 Å²	42.7	47%	0.465	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	174.4	-162.3	-158.4	-2.4	0	0	0	111.1	R453	R453-D462 HydrophobicContact CB-CB 4.5Å; R453-D462 WeakPolarHBondContact CB-O 3.24Å; R453-D462 IonicContact CZ-OD2 3.52Å; R453-D462 VanDerWaalsContact CZ-OD2 3.31Å; R453-D462 PolarHBondContact N-O 2.73Å; R453-D462 IonicContact NH1-OD2 3.43Å; R453-D462 VanDerWaalsContact NH2-CG 3.28Å; R453-D462 IonicContact NH2-OD1 3.95Å; R453-D462 IonicContact NH2-OD2 2.8Å; R453-D462 PolarHBondContact NH2-OD2 2.95Å
463	S	89.3	Confident	79.1	Confident	14 Å²	14	42.7 Å²	42.7	10%	0.098	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	177	163	67.2	0	0	0	0	111.3	W410 L451 R453	W410-S463 WeakPolarHBondContact O-CB 3.44Å; W410-S463 PolarHBondContact O-OG 3.15Å; L451-S463 CarbonylContact O-C 3.58Å; L451-S463 VanDerWaalsContact O-CA 3.3Å; L451-S463 WeakPolarHBondContact O-CA 3.25Å; R453-S463 PolarHBondContact NE-O 2.87Å; R453-S463 PolarHBondContact NH2-O 3.03Å
464	L	93.4	Very high	79.8	Confident	25 Å²	25	42 Å²	42	13%	0.131	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	120.1	171.4	-179.3	68.3	0	0	0	109	I27 F450 L451 R453 L466 R529	I27-L464 HydrophobicContact CD1-CD1 4.21Å; I27-L464 HydrophobicContact CD1-CD2 4.06Å; I27-L464 HydrophobicContact CD1-CG 4.11Å; F450-L464 CarbonylContact C-O 3.53Å; F450-L464 WeakPolarHBondContact CA-O 3.43Å; F450-L464 WeakPolarHBondContact CB-O 3.05Å; L451-L464 HydrophobicContact CB-CB 4.3Å; L451-L464 HydrophobicContact CD2-CD2 4.4Å; L451-L464 PolarHBondContact N-O 2.78Å; L451-L464 PolarHBondContact O-N 3.14Å; R453-L464 HydrophobicContact CG-CB 4.27Å; L464-L466 HydrophobicContact CD2-CD2 3.9Å; L464-L466 HydrophobicContact CG-CD2 4.15Å; L464-L466 PolarHBondContact O-N 2.84Å; L464-R529 HydrophobicContact CD2-CB 4.14Å
465	F	96.7	Very high	81	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	102.7	-178.4	-166	-169.5	0	0	0	110.2	S24 P26 I27 F411 L448 E467 E468	S24-F465 VanDerWaalsContact O-CD1 3.22Å; S24-F465 WeakPolarHBondContact O-CD1 3.41Å; P26-F465 HydrophobicContact CB-CD1 3.71Å; P26-F465 HydrophobicContact CB-CD2 4.01Å; P26-F465 HydrophobicContact CB-CE1 3.71Å; P26-F465 HydrophobicContact CB-CE2 3.99Å; P26-F465 HydrophobicContact CB-CG 3.88Å; P26-F465 HydrophobicContact CB-CZ 3.85Å; P26-F465 HydrophobicContact CG-CD1 4.35Å; P26-F465 HydrophobicContact CG-CE1 4Å; P26-F465 HydrophobicContact CG-CZ 4.26Å; I27-F465 PolarHBondContact N-O 2.75Å; F411-F465 HydrophobicContact CE2-CB 4.06Å; F411-F465 HydrophobicContact CE2-CD1 4.23Å; F411-F465 HydrophobicContact CE2-CD2 4.08Å; F411-F465 AromaticContact CE2-CG 3.87Å; F411-F465 HydrophobicContact CE2-CG 3.87Å; F411-F465 HydrophobicContact CZ-CD1 4.12Å; F411-F465 HydrophobicContact CZ-CD2 4.01Å; F411-F465 HydrophobicContact CZ-CE1 4.18Å; F411-F465 HydrophobicContact CZ-CE2 4.09Å; F411-F465 HydrophobicContact CZ-CG 4.03Å; F411-F465 HydrophobicContact CZ-CZ 4.17Å; L448-F465 HydrophobicContact CB-CE2 3.73Å; L448-F465 HydrophobicContact CB-CZ 4.18Å; L448-F465 HydrophobicContact CD2-CE1 4.46Å; L448-F465 HydrophobicContact CD2-CE2 4.01Å; L448-F465 HydrophobicContact CD2-CZ 3.61Å; L448-F465 HydrophobicContact CG-CE2 3.94Å; L448-F465 HydrophobicContact CG-CZ 3.86Å; F465-E467 WeakPolarHBondContact CE2-O 3.45Å; F465-E468 HydrophobicContact CE2-CB 4.3Å; F465-E468 HydrophobicContact CZ-CB 3.87Å; F465-E468 HydrophobicContact CZ-CG 4.44Å
466	L	97.4	Very high	82.4	Confident	3 Å²	3	46 Å²	46	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-45.6	-175.5	-59.8	178.6	0	0	0	111.5	I27 S28 K449 L451 L464 R529	I27-L466 HydrophobicContact CD1-CD2 4.17Å; I27-L466 PolarHBondContact N-O 2.79Å; S28-L466 PolarHBondContact N-O 2.99Å; S28-L466 PolarHBondContact OG-O 2.85Å; K449-L466 HydrophobicContact CD-CB 4.43Å; K449-L466 HydrophobicContact CD-CD1 4.42Å; K449-L466 HydrophobicContact CG-CB 4.33Å; K449-L466 HydrophobicContact CG-CD1 4.31Å; K449-L466 PolarHBondContact O-N 3.35Å; L451-L466 HydrophobicContact CB-CD1 4.09Å; L451-L466 HydrophobicContact CB-CD2 4.36Å; L451-L466 HydrophobicContact CB-CG 4.26Å; L464-L466 HydrophobicContact CD2-CD2 3.9Å; L464-L466 HydrophobicContact CG-CD2 4.15Å; L464-L466 PolarHBondContact O-N 2.84Å; L466-R529 HydrophobicContact CD2-CB 4.35Å
467	E	97.8	Very high	84.5	Confident	5 Å²	5	37.6 Å²	37.6	2%	0.023	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	137.3	-171.8	-172.2	175.2	-160.1	0	0	113.9	S28 S30 K449 F465 M469 R514	S28-E467 VanDerWaalsContact O-CA 3.29Å; S28-E467 WeakPolarHBondContact O-CA 3.39Å; S28-E467 WeakPolarHBondContact OG-CB 3.24Å; S28-E467 WeakPolarHBondContact OG-CG 3.11Å; S30-E467 VanDerWaalsContact CB-OE1 3.24Å; S30-E467 WeakPolarHBondContact CB-OE1 3.33Å; S30-E467 PolarHBondContact OG-OE1 2.75Å; K449-E467 HydrophobicContact CB-CB 4.19Å; K449-E467 HydrophobicContact CD-CB 4.43Å; K449-E467 PolarHBondContact N-O 2.85Å; K449-E467 PolarHBondContact O-N 3.2Å; F465-E467 WeakPolarHBondContact CE2-O 3.45Å; E467-M469 HydrophobicContact CG-CB 4.39Å; E467-R514 VanDerWaalsContact OE1-CD 3.25Å; E467-R514 WeakPolarHBondContact OE1-CD 3.08Å; E467-R514 IonicContact OE1-CZ 2.73Å; E467-R514 IonicContact OE1-NE 2.78Å; E467-R514 PolarHBondContact OE1-NE 3.04Å; E467-R514 IonicContact OE2-CZ 2.65Å; E467-R514 IonicContact OE2-NE 2.7Å; E467-R514 PolarHBondContact OE2-NE 3.14Å; E467-R514 IonicContact OE2-NH2 3.95Å; E467-R514 PolarHBondContact OE2-NH2 3.49Å
468	E	98.3	Very high	86.4	Confident	34 Å²	34	36 Å²	36	16%	0.159	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.8	158.7	-166.4	174.5	109.8	0	0	109.8	P26 S28 I29 S30 R413 Y418 I446 L448 F465	P26-E468 HydrophobicContact CB-CB 4.4Å; P26-E468 HydrophobicContact CG-CB 4.11Å; S28-E468 PolarHBondContact O-N 2.77Å; S28-E468 VanDerWaalsContact O-N 3.08Å; I29-E468 CarbonylContact C-O 3.57Å; I29-E468 WeakPolarHBondContact CA-O 3.22Å; S30-E468 PolarHBondContact N-O 3.34Å; R413-E468 IonicContact CZ-OE2 3.89Å; R413-E468 IonicContact NE-OE2 3.9Å; R413-E468 IonicContact NH2-OE2 3.18Å; R413-E468 PolarHBondContact NH2-OE2 2.7Å; Y418-E468 PolarHBondContact OH-OE2 2.69Å; I446-E468 HydrophobicContact CG2-CG 3.36Å; L448-E468 HydrophobicContact CG-CG 4.25Å; F465-E468 HydrophobicContact CE2-CB 4.3Å; F465-E468 HydrophobicContact CZ-CB 3.87Å; F465-E468 HydrophobicContact CZ-CG 4.44Å
469	M	97.8	Very high	88.1	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	127	-177.3	62	178.2	119.1	0	0	112.2	S30 F439 I446 I447 K449 E467 V471 V510 R514	S30-M469 WeakPolarHBondContact O-CA 3.39Å; F439-M469 HydrophobicContact CD1-CE 4.25Å; F439-M469 HydrophobicContact CE1-CE 4.24Å; I446-M469 CarbonylContact C-O 3.41Å; I446-M469 VanDerWaalsContact CA-O 3.31Å; I446-M469 WeakPolarHBondContact CA-O 3.46Å; I447-M469 HydrophobicContact CB-CE 4.44Å; I447-M469 HydrophobicContact CB-CG 3.84Å; I447-M469 HydrophobicContact CB-SD 4.44Å; I447-M469 HydrophobicContact CG2-CE 4.05Å; I447-M469 HydrophobicContact CG2-CG 4.44Å; I447-M469 PolarHBondContact N-O 2.84Å; I447-M469 WeakPolarHBondContact O-CG 3.3Å; I447-M469 PolarHBondContact O-N 3.04Å; K449-M469 HydrophobicContact CB-CE 4.16Å; E467-M469 HydrophobicContact CG-CB 4.39Å; M469-V471 HydrophobicContact CB-CG1 4.27Å; M469-V471 HydrophobicContact CG-CG1 3.79Å; M469-V471 HydrophobicContact SD-CG1 3.89Å; M469-V510 HydrophobicContact SD-CG1 3.88Å; M469-R514 VanDerWaalsContact CE-NH2 3.34Å
470	S	97.8	Very high	89.6	Confident	43 Å²	43	34.6 Å²	34.6	30%	0.301	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	109.4	172.4	-174.1	0	0	0	0	108.7	S30 T35	S30-S470 PolarHBondContact O-N 3.05Å; T35-S470 WeakPolarHBondContact CB-O 3.5Å; T35-S470 WeakPolarHBondContact CG2-O 3.13Å; T35-S470 PolarHBondContact OG1-O 3.38Å
471	V	97.6	Very high	90.6	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.226	C	C	.	.			trans	-105.6	-13.1	-170.4	-57.1	0	0	0	0	114.3	T35 G445 I447 M469 N473 V501 F503 I508 V510	T35-V471 HydrophobicContact CG2-CG1 4.42Å; G445-V471 WeakPolarHBondContact O-CG2 3.34Å; G445-V471 PolarHBondContact O-N 2.79Å; I447-V471 HydrophobicContact CD1-CG1 4.36Å; I447-V471 HydrophobicContact CD1-CG2 3.77Å; I447-V471 HydrophobicContact CG1-CG2 4.07Å; M469-V471 HydrophobicContact CB-CG1 4.27Å; M469-V471 HydrophobicContact CG-CG1 3.79Å; M469-V471 HydrophobicContact SD-CG1 3.89Å; V471-N473 PolarHBondContact O-N 3.12Å; V471-V501 HydrophobicContact CG2-CG1 4.17Å; V471-F503 HydrophobicContact CG2-CE2 4.44Å; V471-F503 HydrophobicContact CG2-CZ 4.15Å; V471-I508 WeakPolarHBondContact O-CD1 3.23Å; V471-V510 HydrophobicContact CB-CG2 4.21Å; V471-V510 HydrophobicContact CG1-CG1 4.36Å; V471-V510 HydrophobicContact CG1-CG2 4.08Å
472	Y	97.4	Very high	91.6	Very high	8 Å²	8	35.3 Å²	35.3	3%	0.031	21%	0.212	C	C	.	.			trans	-65.7	119.9	176.6	-177.3	-90.9	0	0	0	111.1	P474 C477 S478 E483 K485 F503	Y472-P474 HydrophobicContact CD1-CG 4.24Å; Y472-P474 HydrophobicContact CE1-CB 4.44Å; Y472-P474 HydrophobicContact CE1-CG 4.32Å; Y472-P474 WeakPolarHBondContact O-CD 3.21Å; Y472-C477 HydrophobicContact CD2-CB 4.39Å; Y472-C477 HydrophobicContact CE2-CB 3.78Å; Y472-C477 PolarHBondContact OH-O 2.73Å; Y472-S478 PolarHBondContact OH-OG 2.9Å; Y472-S478 VanDerWaalsContact OH-OG 3.08Å; Y472-E483 HydrophobicContact CE1-CG 4.38Å; Y472-K485 HydrophobicContact CD1-CD 4.12Å; Y472-K485 VanDerWaalsContact CD1-CE 3.4Å; Y472-K485 HydrophobicContact CD1-CG 3.7Å; Y472-K485 HydrophobicContact CD2-CB 4.45Å; Y472-K485 HydrophobicContact CD2-CG 3.96Å; Y472-K485 HydrophobicContact CE1-CD 4.33Å; Y472-K485 HydrophobicContact CE1-CG 3.76Å; Y472-K485 HydrophobicContact CE2-CG 4.03Å; Y472-K485 HydrophobicContact CG-CG 3.77Å; Y472-F503 AromaticContact CD2-CD1 3.61Å; Y472-F503 HydrophobicContact CD2-CD1 3.61Å; Y472-F503 HydrophobicContact CD2-CD2 4.19Å; Y472-F503 AromaticContact CD2-CE1 3.67Å; Y472-F503 HydrophobicContact CD2-CE1 3.67Å; Y472-F503 HydrophobicContact CD2-CE2 4.25Å; Y472-F503 AromaticContact CD2-CG 3.87Å; Y472-F503 HydrophobicContact CD2-CG 3.87Å; Y472-F503 AromaticContact CD2-CZ 4Å; Y472-F503 HydrophobicContact CD2-CZ 4Å; Y472-F503 HydrophobicContact CE2-CD1 4.17Å; Y472-F503 HydrophobicContact CE2-CG 4.26Å; Y472-F503 HydrophobicContact CG-CE1 4.39Å; Y472-F503 HydrophobicContact CG-CZ 4.49Å
473	N	95.7	Very high	92.4	Very high	3 Å²	3	37 Å²	37	2%	0.016	22%	0.217	C	C	.	.			trans	-96.1	109.6	178	178.7	-25.1	0	0	0	110.3	K36 V471 E475 K476 C477 I508	K36-N473 PolarHBondContact O-ND2 3.17Å; V471-N473 PolarHBondContact O-N 3.12Å; N473-E475 WeakPolarHBondContact OD1-CA 3.45Å; N473-E475 WeakPolarHBondContact OD1-CB 3.47Å; N473-E475 PolarHBondContact OD1-N 2.87Å; N473-K476 PolarHBondContact OD1-N 3.5Å; N473-C477 WeakPolarHBondContact O-CA 3.33Å; N473-C477 WeakPolarHBondContact O-CB 3.27Å; N473-C477 PolarHBondContact O-N 2.91Å; N473-C477 PolarHBondContact O-SG 2.93Å; N473-I508 HydrophobicContact CB-CD1 4.41Å
474	P	94.1	Very high	92.7	Very high	68 Å²	68	37.6 Å²	37.6	44%	0.442	22%	0.219	S	C	.	.	H	α-helix	trans	-65.4	-38.5	178.7	-20.1	33.8	0	0	0	113.3	Y472 K476 C477 S478	Y472-P474 HydrophobicContact CD1-CG 4.24Å; Y472-P474 HydrophobicContact CE1-CB 4.44Å; Y472-P474 HydrophobicContact CE1-CG 4.32Å; Y472-P474 WeakPolarHBondContact O-CD 3.21Å; P474-K476 VanDerWaalsContact C-N 3.28Å; P474-K476 PolarHBondContact O-N 3.41Å; P474-C477 PolarHBondContact O-N 3.05Å; P474-S478 VanDerWaalsContact O-CB 3.23Å; P474-S478 WeakPolarHBondContact O-CB 3.24Å; P474-S478 PolarHBondContact O-N 2.8Å
475	E	91.8	Very high	92.8	Very high	122 Å²	122	39.3 Å²	39.3	57%	0.57	23%	0.226	S	C	*	.	H	α-helix	trans	-61	-36	-177.9	-54.2	168.3	-177.9	0	0	112.1	K36 N473	K36-E475 WeakPolarHBondContact CD-OE1 3.3Å; K36-E475 IonicContact NZ-OE1 3.75Å; K36-E475 PolarHBondContact NZ-OE1 3.28Å; K36-E475 IonicContact NZ-OE2 2.79Å; N473-E475 WeakPolarHBondContact OD1-CA 3.45Å; N473-E475 WeakPolarHBondContact OD1-CB 3.47Å; N473-E475 PolarHBondContact OD1-N 2.87Å
476	K	91.3	Very high	92.9	Very high	44 Å²	44	45.1 Å²	45.1	19%	0.191	25%	0.248	C	C	.	.	H	α-helix	trans	-97.6	-29.8	178.8	-65	-175.9	179.6	175.5	0	113.3	V40 V42 R53 E87 N473 P474	V40-K476 HydrophobicContact CB-CB 4.13Å; V40-K476 HydrophobicContact CB-CD 3.82Å; V40-K476 HydrophobicContact CG1-CB 4.07Å; V40-K476 HydrophobicContact CG2-CB 4.08Å; V40-K476 HydrophobicContact CG2-CD 3.63Å; V40-K476 HydrophobicContact CG2-CG 4.43Å; V42-K476 WeakPolarHBondContact CG1-O 3.15Å; R53-K476 PolarHBondContact NH1-O 3.14Å; E87-K476 PolarHBondContact O-NZ 3.03Å; E87-K476 IonicContact OE2-NZ 3.51Å; N473-K476 PolarHBondContact OD1-N 3.5Å; P474-K476 VanDerWaalsContact C-N 3.28Å; P474-K476 PolarHBondContact O-N 3.41Å
477	C	93.4	Very high	92.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-111.3	-15	-171.1	-53.8	0	0	0	0	116.7	Y472 N473 P474 Y479 T505 C506	Y472-C477 HydrophobicContact CD2-CB 4.39Å; Y472-C477 HydrophobicContact CE2-CB 3.78Å; Y472-C477 PolarHBondContact OH-O 2.73Å; N473-C477 WeakPolarHBondContact O-CA 3.33Å; N473-C477 WeakPolarHBondContact O-CB 3.27Å; N473-C477 PolarHBondContact O-N 2.91Å; N473-C477 PolarHBondContact O-SG 2.93Å; P474-C477 PolarHBondContact O-N 3.05Å; C477-Y479 PolarHBondContact O-N 2.71Å; C477-T505 WeakPolarHBondContact O-CB 3.4Å; C477-T505 PolarHBondContact O-OG1 3.42Å; C477-C506 HydrophobicContact CB-CB 3.89Å; C477-C506 WeakPolarHBondContact CB-SG 3.49Å; C477-C506 WeakPolarHBondContact SG-CB 3.39Å; C477-C506 CovalentContact SG-SG 2.04Å; C477-C506 PolarHBondContact SG-SG 2.79Å
478	S	93.1	Very high	92.9	Very high	45 Å²	45	46.9 Å²	46.9	32%	0.315	26%	0.256	S	S	.	.			trans	-92.4	90.4	175.1	-62.5	0	0	0	0	110.4	Y472 P474	Y472-S478 PolarHBondContact OH-OG 2.9Å; Y472-S478 VanDerWaalsContact OH-OG 3.08Å; P474-S478 VanDerWaalsContact O-CB 3.23Å; P474-S478 WeakPolarHBondContact O-CB 3.24Å; P474-S478 PolarHBondContact O-N 2.8Å
479	Y	86.3	Confident	92.9	Very high	24 Å²	24	45.7 Å²	45.7	9%	0.094	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-146.3	171.6	177.4	64.6	-94.3	0	0	0	111.2	V42 R53 C477 G481 V482 T505	V42-Y479 HydrophobicContact CG1-CE1 4.24Å; R53-Y479 HydrophobicContact CB-CD2 3.44Å; R53-Y479 VanDerWaalsContact CB-CD2 3.44Å; R53-Y479 HydrophobicContact CB-CE2 3.48Å; R53-Y479 VanDerWaalsContact CB-CE2 3.48Å; R53-Y479 HydrophobicContact CB-CG 4.1Å; C477-Y479 PolarHBondContact O-N 2.71Å; Y479-G481 PolarHBondContact O-N 3.21Å; Y479-G481 VanDerWaalsContact O-N 3.14Å; Y479-V482 PolarHBondContact O-N 3.31Å; Y479-T505 PolarHBondContact OH-O 3.03Å
480	D	81.3	Confident	92.9	Very high	93 Å²	93	46.4 Å²	46.4	50%	0.497	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	30.6	-176	-144.9	9.3	0	0	0	113.1	H54 R55 V482	H54-D480 WeakPolarHBondContact CA-OD2 3.45Å; R55-D480 HydrophobicContact CB-CB 4.28Å; R55-D480 PolarHBondContact N-OD2 2.9Å; D480-V482 VanDerWaalsContact C-N 3.32Å; D480-V482 PolarHBondContact O-N 3.07Å
481	G	79.6	Confident	92.9	Very high	87 Å²	87	47.3 Å²	47.3	90%	0.897	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	8.1	-177.7	0	0	0	0	0	116	Y479	Y479-G481 PolarHBondContact O-N 3.21Å; Y479-G481 VanDerWaalsContact O-N 3.14Å
482	V	81.1	Confident	92.9	Very high	30 Å²	30	49 Å²	49	18%	0.182	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-112.2	120.9	-171.5	176.3	0	0	0	0	113.3	Y479 D480 D484 T505	Y479-V482 PolarHBondContact O-N 3.31Å; D480-V482 VanDerWaalsContact C-N 3.32Å; D480-V482 PolarHBondContact O-N 3.07Å; V482-D484 HydrophobicContact CG1-CB 3.92Å; V482-T505 HydrophobicContact CB-CG2 4.32Å; V482-T505 HydrophobicContact CG1-CG2 4.12Å
483	E	90.6	Very high	92.8	Very high	122 Å²	122	49.9 Å²	49.9	57%	0.57	27%	0.27	S	S	*	.			trans	-115.9	55.4	172.4	-162.1	-168.3	139.8	0	0	111.6	Y472 K485	Y472-E483 HydrophobicContact CE1-CG 4.38Å; E483-K485 HydrophobicContact CG-CG 4.46Å; E483-K485 PolarHBondContact O-N 3.01Å; E483-K485 WeakPolarHBondContact OE1-CE 3.1Å; E483-K485 IonicContact OE1-NZ 2.82Å; E483-K485 PolarHBondContact OE1-NZ 3.09Å
484	D	93.8	Very high	92.6	Very high	27 Å²	27	55.5 Å²	55.5	14%	0.144	29%	0.291	C	S	.	.			trans	-85.9	90.8	179.4	-170.2	1.1	0	0	0	111.9	V482 R486	V482-D484 HydrophobicContact CG1-CB 3.92Å; D484-R486 PolarHBondContact O-N 3.46Å; D484-R486 WeakPolarHBondContact OD1-CB 3.34Å; D484-R486 VanDerWaalsContact OD1-CG 3.3Å; D484-R486 WeakPolarHBondContact OD1-CG 3.46Å; D484-R486 IonicContact OD1-CZ 3.98Å; D484-R486 PolarHBondContact OD1-N 2.87Å; D484-R486 IonicContact OD1-NE 3.64Å; D484-R486 PolarHBondContact OD1-NE 3.04Å; D484-R486 IonicContact OD1-NH2 3.26Å; D484-R486 IonicContact OD2-CZ 2.69Å; D484-R486 IonicContact OD2-NE 3.9Å; D484-R486 PolarHBondContact OD2-NE 3.27Å; D484-R486 IonicContact OD2-NH2 3.41Å; D484-R486 PolarHBondContact OD2-NH2 3.3Å
485	K	97	Very high	92.4	Very high	62 Å²	62	56.1 Å²	56.1	27%	0.27	30%	0.302	S	S	.	.			trans	-74.9	7.4	-179.6	-70.3	175.8	166.5	160.3	0	114.9	K444 G445 Y472 E483 F503	K444-K485 CarbonylContact C-O 3.56Å; K444-K485 VanDerWaalsContact C-O 3.28Å; G445-K485 WeakPolarHBondContact CA-O 3.47Å; G445-K485 PolarHBondContact N-O 2.81Å; Y472-K485 HydrophobicContact CD1-CD 4.12Å; Y472-K485 VanDerWaalsContact CD1-CE 3.4Å; Y472-K485 HydrophobicContact CD1-CG 3.7Å; Y472-K485 HydrophobicContact CD2-CB 4.45Å; Y472-K485 HydrophobicContact CD2-CG 3.96Å; Y472-K485 HydrophobicContact CE1-CD 4.33Å; Y472-K485 HydrophobicContact CE1-CG 3.76Å; Y472-K485 HydrophobicContact CE2-CG 4.03Å; Y472-K485 HydrophobicContact CG-CG 3.77Å; E483-K485 HydrophobicContact CG-CG 4.46Å; E483-K485 PolarHBondContact O-N 3.01Å; E483-K485 WeakPolarHBondContact OE1-CE 3.1Å; E483-K485 IonicContact OE1-NZ 2.82Å; E483-K485 PolarHBondContact OE1-NZ 3.09Å; K485-F503 WeakPolarHBondContact O-CE1 3.4Å
486	R	97.8	Very high	92.3	Very high	128 Å²	128	51.6 Å²	51.6	48%	0.483	28%	0.284	S	S	.	.			trans	-77.6	127.7	179.8	-61.6	175.8	-58.5	139.7	9	111	D484 M488	D484-R486 PolarHBondContact O-N 3.46Å; D484-R486 WeakPolarHBondContact OD1-CB 3.34Å; D484-R486 VanDerWaalsContact OD1-CG 3.3Å; D484-R486 WeakPolarHBondContact OD1-CG 3.46Å; D484-R486 IonicContact OD1-CZ 3.98Å; D484-R486 PolarHBondContact OD1-N 2.87Å; D484-R486 IonicContact OD1-NE 3.64Å; D484-R486 PolarHBondContact OD1-NE 3.04Å; D484-R486 IonicContact OD1-NH2 3.26Å; D484-R486 IonicContact OD2-CZ 2.69Å; D484-R486 IonicContact OD2-NE 3.9Å; D484-R486 PolarHBondContact OD2-NE 3.27Å; D484-R486 IonicContact OD2-NH2 3.41Å; D484-R486 PolarHBondContact OD2-NH2 3.3Å; R486-M488 PolarHBondContact O-N 2.94Å
487	I	98.6	Very high	92.4	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.031	29%	0.288	C	S	.	.			trans	-73.3	117.3	173.3	-62.6	176.2	0	0	0	109.2	K422 S442 I447 M490 V501 A502 F503	K422-I487 HydrophobicContact CB-CG2 4.36Å; K422-I487 HydrophobicContact CG-CG2 4.1Å; K422-I487 WeakPolarHBondContact CG-O 3.37Å; S442-I487 PolarHBondContact O-N 3.21Å; I447-I487 HydrophobicContact CD1-CD1 4.12Å; I447-I487 HydrophobicContact CG1-CD1 3.63Å; I487-M490 HydrophobicContact CG2-CG 3.61Å; I487-M490 HydrophobicContact CG2-SD 4.14Å; I487-V501 HydrophobicContact CD1-CG1 3.87Å; I487-V501 HydrophobicContact CG1-CG1 4.01Å; I487-V501 HydrophobicContact CG2-CG1 3.92Å; I487-A502 CarbonylContact C-O 3.59Å; I487-F503 HydrophobicContact CD1-CE1 4.45Å; I487-F503 HydrophobicContact CD1-CZ 4.28Å; I487-F503 HydrophobicContact CG1-CD1 4.29Å; I487-F503 HydrophobicContact CG1-CE1 3.5Å; I487-F503 VanDerWaalsContact CG1-CE1 3.5Å; I487-F503 HydrophobicContact CG1-CZ 3.71Å
488	M	96.8	Very high	92.5	Very high	38 Å²	38	51.8 Å²	51.8	19%	0.187	29%	0.291	C	S	.	.			trans	-93.1	-28.1	-174.7	-63.8	-167.9	63.1	0	0	112.9	I58 K422 R486 A502	I58-M488 WeakPolarHBondContact O-CE 2.82Å; K422-M488 WeakPolarHBondContact CE-O 3.46Å; K422-M488 PolarHBondContact NZ-O 3.01Å; R486-M488 PolarHBondContact O-N 2.94Å; M488-A502 PolarHBondContact N-O 3.11Å
489	G	97.6	Very high	92.7	Very high	10 Å²	10	49.7 Å²	49.7	10%	0.103	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	156.9	173.1	0	0	0	0	0	111.2	A502	G489-A502 PolarHBondContact O-N 3.31Å
490	M	98.6	Very high	93.3	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.074	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	142.4	170	-58.2	-168.8	-47.1	0	0	108.2	K422 A424 F439 I447 I487 L499 Y500	K422-M490 HydrophobicContact CB-CE 4.05Å; K422-M490 HydrophobicContact CB-CG 4.04Å; K422-M490 HydrophobicContact CB-SD 4.38Å; A424-M490 HydrophobicContact CB-CB 4.39Å; A424-M490 HydrophobicContact CB-CE 4.11Å; F439-M490 HydrophobicContact CB-CE 4.46Å; F439-M490 WeakPolarHBondContact O-CE 3.38Å; I447-M490 HydrophobicContact CD1-SD 4.03Å; I447-M490 HydrophobicContact CG1-SD 4.37Å; I487-M490 HydrophobicContact CG2-CG 3.61Å; I487-M490 HydrophobicContact CG2-SD 4.14Å; M490-L499 HydrophobicContact CB-CD1 4.26Å; M490-L499 HydrophobicContact SD-CD2 4.48Å; M490-Y500 CarbonylContact C-O 3.55Å; M490-Y500 VanDerWaalsContact CA-O 3.26Å; M490-Y500 WeakPolarHBondContact CA-O 3.33Å
491	Q	98.1	Very high	94.1	Very high	62 Å²	62	44.1 Å²	44.1	29%	0.29	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	121.5	176.1	-71.4	-66.1	-16.5	0	0	108.7	I61 I63 Y500	I61-Q491 HydrophobicContact CB-CG 4.43Å; I61-Q491 HydrophobicContact CD1-CB 4.15Å; I61-Q491 HydrophobicContact CD1-CG 3.89Å; I61-Q491 HydrophobicContact CG1-CG 3.91Å; I61-Q491 WeakPolarHBondContact O-CG 3.41Å; I61-Q491 PolarHBondContact O-NE2 2.91Å; I63-Q491 HydrophobicContact CD1-CB 3.83Å; I63-Q491 HydrophobicContact CG1-CB 4.04Å; I63-Q491 HydrophobicContact CG1-CG 4.42Å; Q491-Y500 PolarHBondContact N-O 3.4Å; Q491-Y500 PolarHBondContact O-N 2.79Å
492	L	97.4	Very high	95	Very high	35 Å²	35	40 Å²	40	18%	0.183	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.2	178.8	-175.6	143.9	0	0	0	109.2	A424 D426 F439 R494 L499 L512	A424-L492 HydrophobicContact CB-CB 4.25Å; D426-L492 HydrophobicContact CB-CD1 3.88Å; D426-L492 HydrophobicContact CB-CD2 4.12Å; F439-L492 HydrophobicContact CD2-CD1 3.78Å; F439-L492 HydrophobicContact CE2-CD1 3.64Å; L492-R494 HydrophobicContact CD2-CG 3.96Å; L492-L499 HydrophobicContact CB-CD1 3.95Å; L492-L499 HydrophobicContact CD1-CD1 4.49Å; L492-L512 HydrophobicContact CD1-CD2 3.62Å; L492-L512 HydrophobicContact CG-CD2 3.94Å
493	D	95.4	Very high	95.8	Very high	26 Å²	26	38.5 Å²	38.5	14%	0.139	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.3	170.7	173.3	38.2	0	0	0	110.7	I63 A495 S496 S497 S498	I63-D493 HydrophobicContact CD1-CB 3.92Å; D493-A495 WeakPolarHBondContact OD1-CB 3.37Å; D493-A495 PolarHBondContact OD1-N 2.89Å; D493-S496 VanDerWaalsContact OD2-CB 3.24Å; D493-S496 WeakPolarHBondContact OD2-CB 3.27Å; D493-S496 PolarHBondContact OD2-N 2.78Å; D493-S496 PolarHBondContact OD2-OG 2.77Å; D493-S497 PolarHBondContact O-N 2.96Å; D493-S498 PolarHBondContact N-O 3.08Å; D493-S498 PolarHBondContact O-N 3.27Å
494	R	91.7	Very high	96.1	Very high	121 Å²	121	32.9 Å²	32.9	46%	0.457	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-31.4	176	-67.2	176.6	174.6	142.3	-2.9	111.9	D426 T427 L492 S497	D426-R494 IonicContact OD1-CZ 2.82Å; D426-R494 IonicContact OD1-NE 2.63Å; D426-R494 PolarHBondContact OD1-NE 3.2Å; D426-R494 IonicContact OD1-NH2 3.76Å; D426-R494 PolarHBondContact OD1-NH2 3.21Å; T427-R494 PolarHBondContact OG1-NH2 3.31Å; L492-R494 HydrophobicContact CD2-CG 3.96Å; R494-S497 PolarHBondContact O-N 2.7Å; R494-S497 PolarHBondContact O-OG 3.2Å
495	A	89.9	Confident	96.2	Very high	81 Å²	81	31.6 Å²	31.6	67%	0.669	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-53	-174.3	0	0	0	0	0	111.3	D493 S497	D493-A495 WeakPolarHBondContact OD1-CB 3.37Å; D493-A495 PolarHBondContact OD1-N 2.89Å; A495-S497 PolarHBondContact O-N 3.44Å
496	S	89.4	Confident	96.2	Very high	27 Å²	27	28.7 Å²	28.7	19%	0.189	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	9	172.2	68	0	0	0	0	114.2	I81 D493 S498	I81-S496 WeakPolarHBondContact CG2-OG 3.49Å; D493-S496 VanDerWaalsContact OD2-CB 3.24Å; D493-S496 WeakPolarHBondContact OD2-CB 3.27Å; D493-S496 PolarHBondContact OD2-N 2.78Å; D493-S496 PolarHBondContact OD2-OG 2.77Å; S496-S498 PolarHBondContact O-N 2.85Å; S496-S498 VanDerWaalsContact O-N 3.14Å; S496-S498 PolarHBondContact O-OG 2.68Å
497	S	92.2	Very high	96.2	Very high	40 Å²	40	22.6 Å²	22.6	28%	0.28	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	42.2	-179	-62.8	0	0	0	0	113.5	D493 R494 A495 L512	D493-S497 PolarHBondContact O-N 2.96Å; R494-S497 PolarHBondContact O-N 2.7Å; R494-S497 PolarHBondContact O-OG 3.2Å; A495-S497 PolarHBondContact O-N 3.44Å; S497-L512 WeakPolarHBondContact O-CG 3.38Å; S497-L512 PolarHBondContact O-N 2.95Å; S497-L512 VanDerWaalsContact O-N 3.09Å
498	S	95.4	Very high	96.1	Very high	8 Å²	8	22.3 Å²	22.3	6%	0.056	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142.9	-166.9	-67.1	0	0	0	0	113.4	D493 S496 K509	D493-S498 PolarHBondContact N-O 3.08Å; D493-S498 PolarHBondContact O-N 3.27Å; S496-S498 PolarHBondContact O-N 2.85Å; S496-S498 VanDerWaalsContact O-N 3.14Å; S496-S498 PolarHBondContact O-OG 2.68Å; S498-K509 WeakPolarHBondContact OG-CE 3.26Å
499	L	98.3	Very high	96.2	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.1	165.8	-177.6	70.4	0	0	0	109.1	A424 F439 I447 M490 L492 V501 V510 L512	A424-L499 HydrophobicContact CB-CD1 3.93Å; F439-L499 HydrophobicContact CB-CD2 3.95Å; F439-L499 HydrophobicContact CD1-CD2 3.81Å; F439-L499 HydrophobicContact CE1-CD2 4.48Å; F439-L499 HydrophobicContact CG-CD2 3.94Å; I447-L499 HydrophobicContact CD1-CD2 4.02Å; I447-L499 HydrophobicContact CG2-CD2 4.49Å; M490-L499 HydrophobicContact CB-CD1 4.26Å; M490-L499 HydrophobicContact SD-CD2 4.48Å; L492-L499 HydrophobicContact CB-CD1 3.95Å; L492-L499 HydrophobicContact CD1-CD1 4.49Å; L499-V501 HydrophobicContact CD2-CG2 4.16Å; L499-V501 HydrophobicContact CG-CG2 4.06Å; L499-V510 HydrophobicContact CB-CB 4.47Å; L499-V510 PolarHBondContact N-O 3.24Å; L499-V510 WeakPolarHBondContact O-CB 3.39Å; L499-V510 PolarHBondContact O-N 3.32Å; L499-L512 HydrophobicContact CB-CD2 4.05Å
500	Y	98.4	Very high	96.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125	173.8	-71.1	-87.4	0	0	0	110.3	I61 I63 L68 I81 M490 Q491 I508 K509	I61-Y500 WeakPolarHBondContact CD1-O 3.45Å; I63-Y500 HydrophobicContact CD1-CD2 4.18Å; L68-Y500 HydrophobicContact CD1-CG 4.49Å; L68-Y500 HydrophobicContact CD2-CD1 3.49Å; L68-Y500 VanDerWaalsContact CD2-CD1 3.49Å; L68-Y500 HydrophobicContact CD2-CE1 3.81Å; L68-Y500 HydrophobicContact CD2-CG 3.96Å; I81-Y500 HydrophobicContact CD1-CE2 4.42Å; I81-Y500 HydrophobicContact CG1-CE2 4.37Å; I81-Y500 HydrophobicContact CG2-CE2 4.43Å; M490-Y500 CarbonylContact C-O 3.55Å; M490-Y500 VanDerWaalsContact CA-O 3.26Å; M490-Y500 WeakPolarHBondContact CA-O 3.33Å; Q491-Y500 PolarHBondContact N-O 3.4Å; Q491-Y500 PolarHBondContact O-N 2.79Å; Y500-I508 WeakPolarHBondContact CA-O 3.45Å; Y500-K509 HydrophobicContact CD1-CB 4.15Å; Y500-K509 HydrophobicContact CD1-CG 4.39Å; Y500-K509 HydrophobicContact CE1-CB 3.83Å; Y500-K509 HydrophobicContact CE1-CD 3.94Å; Y500-K509 HydrophobicContact CE1-CG 3.79Å; Y500-K509 WeakPolarHBondContact OH-CD 3.3Å; Y500-K509 WeakPolarHBondContact OH-CE 3.49Å; Y500-K509 PolarHBondContact OH-NZ 3.05Å
501	V	98.7	Very high	96.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	116.3	-171.3	-174.9	0	0	0	0	109.9	I447 V471 I487 L499 F503 V507 I508 V510	I447-V501 HydrophobicContact CD1-CB 4.37Å; I447-V501 HydrophobicContact CD1-CG1 3.95Å; I447-V501 HydrophobicContact CD1-CG2 3.47Å; I447-V501 VanDerWaalsContact CD1-CG2 3.47Å; V471-V501 HydrophobicContact CG2-CG1 4.17Å; I487-V501 HydrophobicContact CD1-CG1 3.87Å; I487-V501 HydrophobicContact CG1-CG1 4.01Å; I487-V501 HydrophobicContact CG2-CG1 3.92Å; L499-V501 HydrophobicContact CD2-CG2 4.16Å; L499-V501 HydrophobicContact CG-CG2 4.06Å; V501-F503 HydrophobicContact CG1-CE2 3.81Å; V501-F503 HydrophobicContact CG1-CZ 4.05Å; V501-V507 CarbonylContact O-C 3.54Å; V501-V507 VanDerWaalsContact O-CA 3.3Å; V501-V507 WeakPolarHBondContact O-CA 3.33Å; V501-I508 PolarHBondContact N-O 3.17Å; V501-I508 PolarHBondContact O-N 2.83Å; V501-V510 HydrophobicContact CG2-CB 4.47Å; V501-V510 HydrophobicContact CG2-CG2 3.83Å
502	A	98.5	Very high	96	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.2	-177.4	0	0	0	0	0	113.4	I58 I61 I487 M488 G489 V507	I58-A502 HydrophobicContact CG2-CB 4.29Å; I61-A502 HydrophobicContact CB-CB 4.37Å; I61-A502 HydrophobicContact CD1-CB 3.79Å; I61-A502 HydrophobicContact CG1-CB 3.76Å; I61-A502 HydrophobicContact CG2-CB 3.7Å; I487-A502 CarbonylContact C-O 3.59Å; M488-A502 PolarHBondContact N-O 3.11Å; G489-A502 PolarHBondContact O-N 3.31Å; A502-V507 HydrophobicContact CB-CG1 4.47Å; A502-V507 HydrophobicContact CB-CG2 4.1Å
503	F	98.1	Very high	95.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.112	C	C	.	.			trans	-115.5	172.8	167.8	-61.5	-85.2	0	0	0	109.2	I58 V471 Y472 K485 I487 V501 T505 C506 I508	I58-F503 WeakPolarHBondContact CB-O 3.47Å; V471-F503 HydrophobicContact CG2-CE2 4.44Å; V471-F503 HydrophobicContact CG2-CZ 4.15Å; Y472-F503 AromaticContact CD2-CD1 3.61Å; Y472-F503 HydrophobicContact CD2-CD1 3.61Å; Y472-F503 HydrophobicContact CD2-CD2 4.19Å; Y472-F503 AromaticContact CD2-CE1 3.67Å; Y472-F503 HydrophobicContact CD2-CE1 3.67Å; Y472-F503 HydrophobicContact CD2-CE2 4.25Å; Y472-F503 AromaticContact CD2-CG 3.87Å; Y472-F503 HydrophobicContact CD2-CG 3.87Å; Y472-F503 AromaticContact CD2-CZ 4Å; Y472-F503 HydrophobicContact CD2-CZ 4Å; Y472-F503 HydrophobicContact CE2-CD1 4.17Å; Y472-F503 HydrophobicContact CE2-CG 4.26Å; Y472-F503 HydrophobicContact CG-CE1 4.39Å; Y472-F503 HydrophobicContact CG-CZ 4.49Å; K485-F503 WeakPolarHBondContact O-CE1 3.4Å; I487-F503 HydrophobicContact CD1-CE1 4.45Å; I487-F503 HydrophobicContact CD1-CZ 4.28Å; I487-F503 HydrophobicContact CG1-CD1 4.29Å; I487-F503 HydrophobicContact CG1-CE1 3.5Å; I487-F503 VanDerWaalsContact CG1-CE1 3.5Å; I487-F503 HydrophobicContact CG1-CZ 3.71Å; V501-F503 HydrophobicContact CG1-CE2 3.81Å; V501-F503 HydrophobicContact CG1-CZ 4.05Å; F503-T505 PolarHBondContact O-N 2.63Å; F503-T505 VanDerWaalsContact O-N 3.17Å; F503-C506 PolarHBondContact N-O 2.92Å; F503-I508 HydrophobicContact CD2-CD1 4.22Å; F503-I508 HydrophobicContact CD2-CG1 4.43Å; F503-I508 HydrophobicContact CE2-CD1 3.8Å; F503-I508 HydrophobicContact CE2-CG1 4.28Å
504	S	96.1	Very high	95.8	Very high	4 Å²	4	18.1 Å²	18.1	3%	0.028	11%	0.108	C	C	.	.	S	Bend	trans	-65.1	-21.3	-178.7	78.2	0	0	0	0	114.3	R55 D57 I58	R55-S504 PolarHBondContact NH2-OG 2.79Å; D57-S504 WeakPolarHBondContact CA-O 3.49Å; D57-S504 PolarHBondContact N-O 2.78Å; I58-S504 PolarHBondContact N-O 2.99Å
505	T	95.9	Very high	95.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-109.2	-21.9	-177.8	47.8	0	0	0	0	114.6	R55 L56 C477 Y479 V482 F503	R55-T505 HydrophobicContact CG-CG2 4.22Å; L56-T505 WeakPolarHBondContact CD1-O 3.41Å; C477-T505 WeakPolarHBondContact O-CB 3.4Å; C477-T505 PolarHBondContact O-OG1 3.42Å; Y479-T505 PolarHBondContact OH-O 3.03Å; V482-T505 HydrophobicContact CB-CG2 4.32Å; V482-T505 HydrophobicContact CG1-CG2 4.12Å; F503-T505 PolarHBondContact O-N 2.63Å; F503-T505 VanDerWaalsContact O-N 3.17Å
506	C	96.4	Very high	95.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.			trans	-153.2	164.6	-170.9	71.3	0	0	0	0	113.4	V40 F41 V42 C477 F503	V40-C506 HydrophobicContact CG1-CB 3.7Å; F41-C506 VanDerWaalsContact O-CA 3.25Å; F41-C506 WeakPolarHBondContact O-CA 3.08Å; F41-C506 WeakPolarHBondContact O-CB 3.48Å; V42-C506 HydrophobicContact CG1-CB 4.29Å; C477-C506 HydrophobicContact CB-CB 3.89Å; C477-C506 WeakPolarHBondContact CB-SG 3.49Å; C477-C506 WeakPolarHBondContact SG-CB 3.39Å; C477-C506 CovalentContact SG-SG 2.04Å; C477-C506 PolarHBondContact SG-SG 2.79Å; F503-C506 PolarHBondContact N-O 2.92Å
507	V	98.2	Very high	96	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.6	166.9	-169.6	0	0	0	0	109.5	V40 F41 I58 I61 L68 I70 V501 A502	V40-V507 CarbonylContact C-O 3.56Å; V40-V507 WeakPolarHBondContact CA-O 3.25Å; F41-V507 HydrophobicContact CB-CB 4.09Å; F41-V507 HydrophobicContact CD1-CG2 4.37Å; F41-V507 PolarHBondContact N-O 2.04Å; F41-V507 PolarHBondContact O-N 2.95Å; F41-V507 VanDerWaalsContact O-N 3.12Å; I58-V507 HydrophobicContact CD1-CG2 3.74Å; I61-V507 HydrophobicContact CD1-CG1 4.29Å; I61-V507 HydrophobicContact CG2-CG2 3.99Å; L68-V507 HydrophobicContact CD2-CG1 4.45Å; I70-V507 HydrophobicContact CD1-CB 4.41Å; I70-V507 HydrophobicContact CD1-CG2 3.83Å; I70-V507 HydrophobicContact CG1-CG2 4.22Å; I70-V507 HydrophobicContact CG2-CG2 4.06Å; V501-V507 CarbonylContact O-C 3.54Å; V501-V507 VanDerWaalsContact O-CA 3.3Å; V501-V507 WeakPolarHBondContact O-CA 3.33Å; A502-V507 HydrophobicContact CB-CG1 4.47Å; A502-V507 HydrophobicContact CB-CG2 4.1Å
508	I	97.9	Very high	96.1	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.5	-174.7	-51.3	-174.8	0	0	0	109.7	Y38 P39 V40 V471 N473 Y500 V501 F503 V510	Y38-I508 HydrophobicContact CD2-CG2 4.43Å; P39-I508 WeakPolarHBondContact O-CA 3.27Å; V40-I508 HydrophobicContact CG1-CG1 4.21Å; V40-I508 HydrophobicContact CG2-CD1 4.46Å; V40-I508 HydrophobicContact CG2-CG1 4.08Å; V40-I508 HydrophobicContact CG2-CG2 4.37Å; V471-I508 WeakPolarHBondContact O-CD1 3.23Å; N473-I508 HydrophobicContact CB-CD1 4.41Å; Y500-I508 WeakPolarHBondContact CA-O 3.45Å; V501-I508 PolarHBondContact N-O 3.17Å; V501-I508 PolarHBondContact O-N 2.83Å; F503-I508 HydrophobicContact CD2-CD1 4.22Å; F503-I508 HydrophobicContact CD2-CG1 4.43Å; F503-I508 HydrophobicContact CE2-CD1 3.8Å; F503-I508 HydrophobicContact CE2-CG1 4.28Å; I508-V510 HydrophobicContact CB-CG2 4.49Å; I508-V510 HydrophobicContact CG2-CG2 3.95Å
509	K	97.6	Very high	95.9	Very high	24 Å²	24	20 Å²	20	10%	0.104	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	101.3	175.1	-176.1	175.6	-178.1	167.5	0	109.1	P39 S84 I89 S498 Y500	P39-K509 HydrophobicContact CB-CB 4.23Å; P39-K509 PolarHBondContact O-N 3.18Å; S84-K509 PolarHBondContact O-NZ 2.91Å; I89-K509 HydrophobicContact CD1-CB 3.78Å; S498-K509 WeakPolarHBondContact OG-CE 3.26Å; Y500-K509 HydrophobicContact CD1-CB 4.15Å; Y500-K509 HydrophobicContact CD1-CG 4.39Å; Y500-K509 HydrophobicContact CE1-CB 3.83Å; Y500-K509 HydrophobicContact CE1-CD 3.94Å; Y500-K509 HydrophobicContact CE1-CG 3.79Å; Y500-K509 WeakPolarHBondContact OH-CD 3.3Å; Y500-K509 WeakPolarHBondContact OH-CE 3.49Å; Y500-K509 PolarHBondContact OH-NZ 3.05Å
510	V	97.4	Very high	95.7	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	122.9	-175.9	-179.4	0	0	0	0	109.7	Y38 M469 V471 L499 V501 I508	Y38-V510 HydrophobicContact CD2-CB 4.45Å; Y38-V510 HydrophobicContact CD2-CG1 4.33Å; Y38-V510 HydrophobicContact CD2-CG2 4.01Å; Y38-V510 HydrophobicContact CE2-CB 4.41Å; Y38-V510 HydrophobicContact CE2-CG1 3.81Å; Y38-V510 HydrophobicContact CE2-CG2 4.26Å; M469-V510 HydrophobicContact SD-CG1 3.88Å; V471-V510 HydrophobicContact CB-CG2 4.21Å; V471-V510 HydrophobicContact CG1-CG1 4.36Å; V471-V510 HydrophobicContact CG1-CG2 4.08Å; L499-V510 HydrophobicContact CB-CB 4.47Å; L499-V510 PolarHBondContact N-O 3.24Å; L499-V510 WeakPolarHBondContact O-CB 3.39Å; L499-V510 PolarHBondContact O-N 3.32Å; V501-V510 HydrophobicContact CG2-CB 4.47Å; V501-V510 HydrophobicContact CG2-CG2 3.83Å; I508-V510 HydrophobicContact CB-CG2 4.49Å; I508-V510 HydrophobicContact CG2-CG2 3.95Å
511	P	96.1	Very high	95.5	Very high	49 Å²	49	29.4 Å²	29.4	32%	0.318	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	143.7	175.9	-25.6	35.5	0	0	0	112.9	Y38 G513 R514	Y38-P511 HydrophobicContact CD1-CG 4.39Å; Y38-P511 HydrophobicContact CE1-CG 4.04Å; P511-G513 WeakPolarHBondContact CB-O 3.26Å; P511-R514 PolarHBondContact O-NH1 3.07Å
512	L	96	Very high	95.3	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	16%	0.159	C	C	.	.	S	Bend	trans	-67.4	-45.8	-179.2	-67.7	173.8	0	0	0	112.6	F439 K449 L492 S497 L499 Y532	F439-L512 HydrophobicContact CE1-CD2 4.41Å; F439-L512 HydrophobicContact CE2-CD2 3.83Å; F439-L512 HydrophobicContact CZ-CB 4.45Å; F439-L512 HydrophobicContact CZ-CD2 3.63Å; K449-L512 PolarHBondContact NZ-O 3.41Å; L492-L512 HydrophobicContact CD1-CD2 3.62Å; L492-L512 HydrophobicContact CG-CD2 3.94Å; S497-L512 WeakPolarHBondContact O-CG 3.38Å; S497-L512 PolarHBondContact O-N 2.95Å; S497-L512 VanDerWaalsContact O-N 3.09Å; L499-L512 HydrophobicContact CB-CD2 4.05Å; L512-Y532 HydrophobicContact CB-CD1 4.24Å; L512-Y532 HydrophobicContact CB-CD2 4.15Å; L512-Y532 HydrophobicContact CB-CE1 4.05Å; L512-Y532 HydrophobicContact CB-CE2 3.94Å; L512-Y532 HydrophobicContact CB-CG 4.3Å; L512-Y532 HydrophobicContact CD1-CE1 4Å
513	G	94.4	Very high	95.1	Very high	9 Å²	9	34.9 Å²	34.9	9%	0.093	17%	0.17	C	C	.	.			trans	-106.6	158.1	170.9	0	0	0	0	0	112.3	P511	P511-G513 WeakPolarHBondContact CB-O 3.26Å
514	R	94.4	Very high	94.9	Very high	13 Å²	13	37.4 Å²	37.4	5%	0.049	19%	0.186	C	C	.	.			trans	-118.9	29.5	179.7	-108.5	158.3	-67.3	-52.6	-17.2	112.8	S30 Y34 Y38 E467 M469 P511 E516 R517	S30-R514 WeakPolarHBondContact OG-CD 3.36Å; Y34-R514 HydrophobicContact CE1-CG 3.83Å; Y38-R514 VanDerWaalsContact OH-CD 3.3Å; Y38-R514 WeakPolarHBondContact OH-CD 3.31Å; Y38-R514 PolarHBondContact OH-NH1 3.22Å; Y38-R514 VanDerWaalsContact OH-NH1 3.13Å; E467-R514 VanDerWaalsContact OE1-CD 3.25Å; E467-R514 WeakPolarHBondContact OE1-CD 3.08Å; E467-R514 IonicContact OE1-CZ 2.73Å; E467-R514 IonicContact OE1-NE 2.78Å; E467-R514 PolarHBondContact OE1-NE 3.04Å; E467-R514 IonicContact OE2-CZ 2.65Å; E467-R514 IonicContact OE2-NE 2.7Å; E467-R514 PolarHBondContact OE2-NE 3.14Å; E467-R514 IonicContact OE2-NH2 3.95Å; E467-R514 PolarHBondContact OE2-NH2 3.49Å; M469-R514 VanDerWaalsContact CE-NH2 3.34Å; P511-R514 PolarHBondContact O-NH1 3.07Å; R514-E516 VanDerWaalsContact C-N 3.33Å; R514-E516 PolarHBondContact O-N 2.88Å; R514-E516 VanDerWaalsContact O-N 3.16Å; R514-R517 WeakPolarHBondContact O-CB 3.31Å; R514-R517 PolarHBondContact O-N 2.8Å
515	C	94.1	Very high	94.9	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.02	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-55.8	-42	-161.1	-40.8	0	0	0	0	114	R517 H518 Y532 C533 C542 T543	C515-R517 PolarHBondContact O-N 3Å; C515-R517 VanDerWaalsContact O-N 3.11Å; C515-H518 PolarHBondContact O-CD2 2.87Å; C515-H518 VanDerWaalsContact O-CD2 3.29Å; C515-H518 PolarHBondContact O-N 3.33Å; C515-Y532 PolarHBondContact SG-O 2.91Å; C515-C533 WeakPolarHBondContact CA-SG 3.47Å; C515-C533 HydrophobicContact CB-CB 3.64Å; C515-C533 WeakPolarHBondContact CB-SG 3.24Å; C515-C533 PolarHBondContact N-SG 2.86Å; C515-C533 WeakPolarHBondContact SG-CA 3.35Å; C515-C533 WeakPolarHBondContact SG-CB 3.46Å; C515-C533 CovalentContact SG-SG 2.04Å; C515-C533 PolarHBondContact SG-SG 3.07Å; C515-C542 CarbonylContact C-O 3.51Å; C515-C542 WeakPolarHBondContact O-CB 3.45Å; C515-T543 WeakPolarHBondContact CB-O 3.35Å
516	E	90.9	Very high	94.9	Very high	153 Å²	153	38 Å²	38	72%	0.715	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-61.7	-20.2	178.6	-61.6	-179.6	171.4	0	0	113.5	R514 H518 G519	R514-E516 VanDerWaalsContact C-N 3.33Å; R514-E516 PolarHBondContact O-N 2.88Å; R514-E516 VanDerWaalsContact O-N 3.16Å; E516-H518 PolarHBondContact O-N 2.71Å; E516-G519 WeakPolarHBondContact O-CA 3.33Å; E516-G519 PolarHBondContact O-N 2.85Å
517	R	91.9	Very high	94.8	Very high	97 Å²	97	39.7 Å²	39.7	37%	0.366	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-62.9	-27	173.3	-173.1	-179.1	162.7	135.4	-8.7	112.7	I29 S30 Y34 R514 C515 G519	I29-R517 PolarHBondContact O-NH2 3.04Å; S30-R517 PolarHBondContact OG-NH1 3.44Å; S30-R517 VanDerWaalsContact OG-NH1 3.09Å; Y34-R517 HydrophobicContact CE2-CG 4.28Å; R514-R517 WeakPolarHBondContact O-CB 3.31Å; R514-R517 PolarHBondContact O-N 2.8Å; C515-R517 PolarHBondContact O-N 3Å; C515-R517 VanDerWaalsContact O-N 3.11Å; R517-G519 VanDerWaalsContact C-N 3.25Å
518	H	92.6	Very high	94.8	Very high	35 Å²	35	40 Å²	40	16%	0.162	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-78	-15	172.3	-52.5	-70.4	0	0	0	112	C515 E516 K520 C521 T524 C525 C542	C515-H518 PolarHBondContact O-CD2 2.87Å; C515-H518 VanDerWaalsContact O-CD2 3.29Å; C515-H518 PolarHBondContact O-N 3.33Å; E516-H518 PolarHBondContact O-N 2.71Å; H518-K520 PolarHBondContact O-N 3Å; H518-C521 PolarHBondContact O-N 3.05Å; H518-T524 PolarHBondContact CE1-O 3.48Å; H518-T524 PolarHBondContact ND1-O 3.44Å; H518-C525 HydrophobicContact CB-CB 4.13Å; H518-C542 HydrophobicContact CB-CB 3.78Å
519	G	91.7	Very high	94.7	Very high	28 Å²	28	41.8 Å²	41.8	29%	0.289	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	-124.3	175.8	0	0	0	0	0	112.3	E516 R517 A541 C542	E516-G519 WeakPolarHBondContact O-CA 3.33Å; E516-G519 PolarHBondContact O-N 2.85Å; R517-G519 VanDerWaalsContact C-N 3.25Å; G519-A541 WeakPolarHBondContact O-CA 3.31Å; G519-C542 PolarHBondContact O-N 3.07Å
520	K	93.4	Very high	94.6	Very high	178 Å²	178	41.2 Å²	41.2	77%	0.774	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	10.7	177.9	-57.9	-170.6	176.8	-178.5	0	113.9	H518 K522 W535 G540	H518-K520 PolarHBondContact O-N 3Å; K520-K522 PolarHBondContact O-N 2.91Å; K520-W535 VanDerWaalsContact O-CH2 3.24Å; K520-W535 WeakPolarHBondContact O-CH2 3.28Å; K520-G540 WeakPolarHBondContact CG-O 3.24Å
521	C	94.3	Very high	94.5	Very high	20 Å²	20	41.2 Å²	41.2	14%	0.135	21%	0.21	C	C	.	.			trans	-93	99.8	175.1	-166.3	0	0	0	0	112	H518 K523 T524 C525 C568	H518-C521 PolarHBondContact O-N 3.05Å; C521-K523 PolarHBondContact O-N 2.96Å; C521-T524 PolarHBondContact O-N 3.5Å; C521-T524 PolarHBondContact O-OG1 2.95Å; C521-C525 PolarHBondContact O-N 2.84Å; C521-C568 HydrophobicContact CB-CB 3.83Å; C521-C568 WeakPolarHBondContact CB-SG 3.29Å; C521-C568 WeakPolarHBondContact SG-CA 3.3Å; C521-C568 WeakPolarHBondContact SG-CB 3.48Å; C521-C568 CovalentContact SG-SG 2.03Å; C521-C568 PolarHBondContact SG-SG 3.26Å
522	K	94.1	Very high	94.5	Very high	63 Å²	63	39.3 Å²	39.3	27%	0.274	20%	0.196	S	C	.	.	H	α-helix	trans	-56.9	-37.7	176.4	-171.8	176.2	-178.7	-172	0	112.7	K520 C525 I526 W535 E554 L565	K520-K522 PolarHBondContact O-N 2.91Å; K522-C525 WeakPolarHBondContact O-CB 3.38Å; K522-C525 PolarHBondContact O-N 3.45Å; K522-I526 HydrophobicContact CG-CG1 4.19Å; K522-I526 WeakPolarHBondContact O-CG1 3.36Å; K522-I526 PolarHBondContact O-N 3.17Å; K522-W535 HydrophobicContact CB-CD2 3.74Å; K522-W535 HydrophobicContact CB-CE3 3.8Å; K522-W535 HydrophobicContact CB-CG 4.36Å; K522-W535 HydrophobicContact CB-CH2 4.03Å; K522-W535 HydrophobicContact CB-CZ2 4Å; K522-W535 HydrophobicContact CB-CZ3 3.95Å; K522-W535 HydrophobicContact CD-CD2 4.15Å; K522-W535 HydrophobicContact CD-CG 4.03Å; K522-W535 HydrophobicContact CG-CB 4.32Å; K522-W535 HydrophobicContact CG-CD2 3.65Å; K522-W535 HydrophobicContact CG-CE3 4.1Å; K522-W535 HydrophobicContact CG-CG 3.72Å; K522-E554 WeakPolarHBondContact CE-OE2 3.14Å; K522-E554 IonicContact NZ-OE2 3.76Å; K522-E554 PolarHBondContact NZ-OE2 3.4Å; K522-L565 HydrophobicContact CD-CD2 3.97Å; K522-L565 HydrophobicContact CG-CD1 4.25Å; K522-L565 HydrophobicContact CG-CD2 4.43Å
523	K	94.6	Very high	94.5	Very high	52 Å²	52	39.3 Å²	39.3	23%	0.226	20%	0.197	C	C	.	.	H	α-helix	trans	-58.5	-51.4	-177.8	-171.4	166.3	-170.8	167.5	0	112.5	C521 A527 T562 L565 G566 D567	C521-K523 PolarHBondContact O-N 2.96Å; K523-A527 WeakPolarHBondContact O-CB 3.36Å; K523-A527 PolarHBondContact O-N 2.88Å; K523-T562 HydrophobicContact CG-CG2 3.95Å; K523-T562 WeakPolarHBondContact O-CG2 3.25Å; K523-L565 HydrophobicContact CB-CB 4.16Å; K523-L565 HydrophobicContact CG-CB 4.34Å; K523-G566 WeakPolarHBondContact CB-O 3.16Å; K523-D567 WeakPolarHBondContact CD-OD1 3.43Å; K523-D567 WeakPolarHBondContact CE-OD1 3.28Å; K523-D567 IonicContact NZ-OD1 3.72Å; K523-D567 PolarHBondContact NZ-OD1 2.86Å; K523-D567 IonicContact NZ-OD2 2.63Å
524	T	94.8	Very high	94.5	Very high	54 Å²	54	39 Å²	39	33%	0.331	19%	0.193	S	C	.	.	H	α-helix	trans	-74.5	-27.7	178	50.5	0	0	0	0	113	H518 C521 S528 C568	H518-T524 PolarHBondContact CE1-O 3.48Å; H518-T524 PolarHBondContact ND1-O 3.44Å; C521-T524 PolarHBondContact O-N 3.5Å; C521-T524 PolarHBondContact O-OG1 2.95Å; T524-S528 PolarHBondContact O-N 3.03Å; T524-C568 VanDerWaalsContact CG2-SG 3.56Å
525	C	95.8	Very high	94.5	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.014	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-52.1	171.6	-171.4	0	0	0	0	111.8	H518 C521 K522 S528 G534 W535 C542	H518-C525 HydrophobicContact CB-CB 4.13Å; C521-C525 PolarHBondContact O-N 2.84Å; K522-C525 WeakPolarHBondContact O-CB 3.38Å; K522-C525 PolarHBondContact O-N 3.45Å; C525-S528 WeakPolarHBondContact O-CB 3.25Å; C525-S528 PolarHBondContact O-N 3.05Å; C525-S528 PolarHBondContact O-OG 3.09Å; C525-G534 VanDerWaalsContact SG-C 3.58Å; C525-W535 HydrophobicContact CB-CE3 4.16Å; C525-C542 VanDerWaalsContact CA-SG 3.59Å; C525-C542 HydrophobicContact CB-CB 3.55Å; C525-C542 WeakPolarHBondContact CB-SG 3.44Å; C525-C542 WeakPolarHBondContact SG-CB 3.43Å; C525-C542 CovalentContact SG-SG 2.03Å; C525-C542 PolarHBondContact SG-SG 3.33Å
526	I	95.7	Very high	94.5	Very high	14 Å²	14	40.2 Å²	40.2	7%	0.072	20%	0.198	C	C	.	.	H	α-helix	trans	-71.1	-40.2	179.1	-56.9	-60.6	0	0	0	111.2	K522 S528 R529 W535 E554 D556 N561 L565	K522-I526 HydrophobicContact CG-CG1 4.19Å; K522-I526 WeakPolarHBondContact O-CG1 3.36Å; K522-I526 PolarHBondContact O-N 3.17Å; I526-S528 PolarHBondContact O-N 3.35Å; I526-R529 PolarHBondContact O-N 3.17Å; I526-W535 HydrophobicContact CD1-CB 4.22Å; I526-E554 HydrophobicContact CD1-CB 4.27Å; I526-E554 VanDerWaalsContact CD1-O 3.29Å; I526-E554 WeakPolarHBondContact CD1-O 3.4Å; I526-D556 HydrophobicContact CG2-CB 3.94Å; I526-N561 WeakPolarHBondContact CG2-O 3.17Å; I526-L565 HydrophobicContact CB-CD1 4.3Å; I526-L565 HydrophobicContact CG1-CD1 4.18Å
527	A	95.7	Very high	94.3	Very high	36 Å²	36	38.2 Å²	38.2	30%	0.298	19%	0.187	S	C	.	.	H	α-helix	trans	-62	-22.6	176.5	0	0	0	0	0	113.9	I27 K523 R529 T562	I27-A527 VanDerWaalsContact CG2-O 3.28Å; I27-A527 WeakPolarHBondContact CG2-O 3.06Å; K523-A527 WeakPolarHBondContact O-CB 3.36Å; K523-A527 PolarHBondContact O-N 2.88Å; A527-R529 PolarHBondContact O-N 3.21Å; A527-T562 HydrophobicContact CB-CG2 3.9Å
528	S	96.3	Very high	94	Very high	7 Å²	7	39 Å²	39	5%	0.049	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.1	178.3	75.1	0	0	0	0	113.1	T524 C525 I526 D530	T524-S528 PolarHBondContact O-N 3.03Å; C525-S528 WeakPolarHBondContact O-CB 3.25Å; C525-S528 PolarHBondContact O-N 3.05Å; C525-S528 PolarHBondContact O-OG 3.09Å; I526-S528 PolarHBondContact O-N 3.35Å; S528-D530 PolarHBondContact O-N 2.96Å; S528-D530 PolarHBondContact OG-N 3.2Å
529	R	96	Very high	93.4	Very high	38 Å²	38	40 Å²	40	14%	0.143	21%	0.214	C	C	.	.			trans	51.4	22	-173.6	-57.3	175.8	62.3	164	-4.4	113.6	I27 L464 L466 I526 A527 P531 I557 E558 R559	I27-R529 HydrophobicContact CD1-CB 4.18Å; I27-R529 HydrophobicContact CD1-CG 4.39Å; L464-R529 HydrophobicContact CD2-CB 4.14Å; L466-R529 HydrophobicContact CD2-CB 4.35Å; I526-R529 PolarHBondContact O-N 3.17Å; A527-R529 PolarHBondContact O-N 3.21Å; R529-P531 WeakPolarHBondContact O-CD 3.39Å; R529-I557 VanDerWaalsContact CZ-O 3.26Å; R529-I557 PolarHBondContact NE-O 3.32Å; R529-I557 PolarHBondContact NH2-O 2.73Å; R529-E558 PolarHBondContact NH2-O 2.72Å; R529-R559 PolarHBondContact NH1-O 3.15Å
530	D	96.8	Very high	93.3	Very high	12 Å²	12	40 Å²	40	6%	0.064	21%	0.214	C	C	.	.			trans	-82.3	116.7	-176	-174.1	-2.2	0	0	0	110.1	K449 S528 Y532 C533	K449-D530 WeakPolarHBondContact CE-OD1 3.37Å; K449-D530 IonicContact NZ-OD1 2.75Å; K449-D530 PolarHBondContact NZ-OD1 3.18Å; K449-D530 IonicContact NZ-OD2 2.84Å; K449-D530 PolarHBondContact NZ-OD2 3.37Å; S528-D530 PolarHBondContact O-N 2.96Å; S528-D530 PolarHBondContact OG-N 3.2Å; D530-Y532 PolarHBondContact O-N 2.85Å; D530-Y532 WeakPolarHBondContact OD1-CD2 3.33Å; D530-Y532 PolarHBondContact OD1-N 2.98Å; D530-C533 HydrophobicContact CB-CB 4.18Å; D530-C533 PolarHBondContact O-N 2.76Å
531	P	95.4	Very high	93.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.2	-176	-26.4	35.3	0	0	0	115.2	A429 G430 H435 V437 L451 R529 C533 I557	A429-P531 HydrophobicContact CB-CB 4.2Å; G430-P531 WeakPolarHBondContact CA-O 3.39Å; H435-P531 HydrophobicContact CB-CB 3.89Å; H435-P531 HydrophobicContact CB-CG 3.81Å; V437-P531 HydrophobicContact CG2-CB 4.42Å; V437-P531 HydrophobicContact CG2-CG 3.83Å; L451-P531 HydrophobicContact CD1-CG 4.1Å; R529-P531 WeakPolarHBondContact O-CD 3.39Å; P531-C533 VanDerWaalsContact C-N 3.28Å; P531-I557 HydrophobicContact CB-CD1 4.02Å; P531-I557 HydrophobicContact CG-CD1 4.23Å; P531-I557 HydrophobicContact CG-CG2 4.36Å
532	Y	95.9	Very high	93.4	Very high	9 Å²	9	31.8 Å²	31.8	4%	0.035	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-5.7	176.6	-57.3	-73.2	0	0	0	113.7	D426 A429 V437 F439 L512 C515 D530 H544 L545	D426-Y532 WeakPolarHBondContact CB-OH 3.44Å; D426-Y532 VanDerWaalsContact CG-OH 3.29Å; D426-Y532 WeakPolarHBondContact OD2-CE1 3.38Å; D426-Y532 PolarHBondContact OD2-OH 3.45Å; A429-Y532 HydrophobicContact CB-CE1 3.88Å; A429-Y532 HydrophobicContact CB-CE2 4.42Å; V437-Y532 HydrophobicContact CB-CE2 4.28Å; V437-Y532 HydrophobicContact CG1-CE2 4.19Å; V437-Y532 HydrophobicContact CG2-CE2 4.12Å; F439-Y532 HydrophobicContact CZ-CE2 4.09Å; L512-Y532 HydrophobicContact CB-CD1 4.24Å; L512-Y532 HydrophobicContact CB-CD2 4.15Å; L512-Y532 HydrophobicContact CB-CE1 4.05Å; L512-Y532 HydrophobicContact CB-CE2 3.94Å; L512-Y532 HydrophobicContact CB-CG 4.3Å; L512-Y532 HydrophobicContact CD1-CE1 4Å; C515-Y532 PolarHBondContact SG-O 2.91Å; D530-Y532 PolarHBondContact O-N 2.85Å; D530-Y532 WeakPolarHBondContact OD1-CD2 3.33Å; D530-Y532 PolarHBondContact OD1-N 2.98Å; Y532-H544 AromaticContact CD1-NE2 3.93Å; Y532-H544 CarbonylContact O-C 3.57Å; Y532-H544 WeakPolarHBondContact O-CA 3.38Å; Y532-L545 PolarHBondContact O-N 2.96Å
533	C	95.8	Very high	93.4	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.02	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.8	-168.9	-60.8	0	0	0	0	113.2	C515 D530 P531	C515-C533 WeakPolarHBondContact CA-SG 3.47Å; C515-C533 HydrophobicContact CB-CB 3.64Å; C515-C533 WeakPolarHBondContact CB-SG 3.24Å; C515-C533 PolarHBondContact N-SG 2.86Å; C515-C533 WeakPolarHBondContact SG-CA 3.35Å; C515-C533 WeakPolarHBondContact SG-CB 3.46Å; C515-C533 CovalentContact SG-SG 2.04Å; C515-C533 PolarHBondContact SG-SG 3.07Å; D530-C533 HydrophobicContact CB-CB 4.18Å; D530-C533 PolarHBondContact O-N 2.76Å; P531-C533 VanDerWaalsContact C-N 3.28Å
534	G	94.8	Very high	93.3	Very high	1 Å²	1	31 Å²	31	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	159.1	174	0	0	0	0	0	112.3	C525 T543 E554	C525-G534 VanDerWaalsContact SG-C 3.58Å; G534-T543 PolarHBondContact N-O 2.73Å; G534-T543 VanDerWaalsContact N-O 3.16Å; G534-T543 PolarHBondContact O-N 3.17Å; G534-E554 WeakPolarHBondContact CA-O 3.15Å
535	W	94.8	Very high	93	Very high	28 Å²	28	28.7 Å²	28.7	11%	0.106	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	114.4	177.2	179.6	-94.7	0	0	0	110.3	K520 K522 C525 I526 G540 A541 C542 F553 E554	K520-W535 VanDerWaalsContact O-CH2 3.24Å; K520-W535 WeakPolarHBondContact O-CH2 3.28Å; K522-W535 HydrophobicContact CB-CD2 3.74Å; K522-W535 HydrophobicContact CB-CE3 3.8Å; K522-W535 HydrophobicContact CB-CG 4.36Å; K522-W535 HydrophobicContact CB-CH2 4.03Å; K522-W535 HydrophobicContact CB-CZ2 4Å; K522-W535 HydrophobicContact CB-CZ3 3.95Å; K522-W535 HydrophobicContact CD-CD2 4.15Å; K522-W535 HydrophobicContact CD-CG 4.03Å; K522-W535 HydrophobicContact CG-CB 4.32Å; K522-W535 HydrophobicContact CG-CD2 3.65Å; K522-W535 HydrophobicContact CG-CE3 4.1Å; K522-W535 HydrophobicContact CG-CG 3.72Å; C525-W535 HydrophobicContact CB-CE3 4.16Å; I526-W535 HydrophobicContact CD1-CB 4.22Å; W535-G540 WeakPolarHBondContact CH2-O 3.08Å; W535-A541 VanDerWaalsContact CE3-C 3.42Å; W535-C542 HydrophobicContact CE3-CB 4.32Å; W535-F553 CarbonylContact O-C 3.52Å; W535-F553 VanDerWaalsContact O-CA 3.3Å; W535-F553 WeakPolarHBondContact O-CA 3.27Å; W535-E554 HydrophobicContact CB-CB 4.47Å; W535-E554 PolarHBondContact N-O 2.66Å; W535-E554 PolarHBondContact O-N 2.8Å
536	I	92.9	Very high	92.2	Very high	14 Å²	14	31.7 Å²	31.7	7%	0.072	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.5	177	-67.6	-174	0	0	0	109.6	E538 G540 A541 T543 L551 F553	I536-E538 WeakPolarHBondContact CG2-OE2 3.48Å; I536-G540 PolarHBondContact O-N 2.85Å; I536-G540 VanDerWaalsContact O-N 3.08Å; I536-A541 PolarHBondContact N-O 3.32Å; I536-T543 HydrophobicContact CD1-CG2 4.42Å; I536-T543 WeakPolarHBondContact CD1-OG1 3.47Å; I536-T543 VanDerWaalsContact CG1-OG1 3.28Å; I536-T543 WeakPolarHBondContact CG1-OG1 3.45Å; I536-L551 HydrophobicContact CD1-CB 4.09Å; I536-L551 HydrophobicContact CD1-CD1 3.81Å; I536-L551 HydrophobicContact CG2-CB 4.25Å; I536-F553 HydrophobicContact CG1-CB 4.31Å
537	K	87.4	Confident	91.3	Very high	112 Å²	112	34.1 Å²	34.1	49%	0.487	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-42.8	-175.6	-70.8	-175.6	-179.7	178	0	112.6	G539 G540 T552 E554	K537-G539 VanDerWaalsContact C-N 3.29Å; K537-G539 PolarHBondContact O-N 3.47Å; K537-G540 PolarHBondContact O-N 2.87Å; K537-T552 PolarHBondContact N-O 2.79Å; K537-E554 WeakPolarHBondContact CE-OE1 3.26Å; K537-E554 VanDerWaalsContact CE-OE2 3.27Å; K537-E554 WeakPolarHBondContact CE-OE2 3.22Å; K537-E554 IonicContact NZ-OE1 2.7Å; K537-E554 PolarHBondContact NZ-OE1 3.23Å; K537-E554 IonicContact NZ-OE2 3.94Å
538	E	84.3	Confident	90.1	Very high	114 Å²	114	39.7 Å²	39.7	53%	0.533	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-29.6	-175.5	-52.2	85.1	175.8	0	0	112	I536 T552	I536-E538 WeakPolarHBondContact CG2-OE2 3.48Å; E538-T552 WeakPolarHBondContact OE1-CB 3.44Å; E538-T552 PolarHBondContact OE1-N 3.26Å; E538-T552 PolarHBondContact OE1-OG1 2.84Å
539	G	81.1	Confident	88.9	Confident	54 Å²	54	41.5 Å²	41.5	56%	0.557	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-15.1	178.3	0	0	0	0	0	115.3	K537 A541	K537-G539 VanDerWaalsContact C-N 3.29Å; K537-G539 PolarHBondContact O-N 3.47Å; G539-A541 VanDerWaalsContact C-N 3.27Å; G539-A541 PolarHBondContact O-N 2.92Å
540	G	90.2	Very high	88	Confident	29 Å²	29	51.5 Å²	51.5	30%	0.299	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	36.7	-176.8	0	0	0	0	0	113.5	K520 W535 I536 K537	K520-G540 WeakPolarHBondContact CG-O 3.24Å; W535-G540 WeakPolarHBondContact CH2-O 3.08Å; I536-G540 PolarHBondContact O-N 2.85Å; I536-G540 VanDerWaalsContact O-N 3.08Å; K537-G540 PolarHBondContact O-N 2.87Å
541	A	94.3	Very high	87.3	Confident	24 Å²	24	55.3 Å²	55.3	20%	0.198	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	159.5	-173.5	0	0	0	0	0	112.8	G519 W535 I536 G539	G519-A541 WeakPolarHBondContact O-CA 3.31Å; W535-A541 VanDerWaalsContact CE3-C 3.42Å; I536-A541 PolarHBondContact N-O 3.32Å; G539-A541 VanDerWaalsContact C-N 3.27Å; G539-A541 PolarHBondContact O-N 2.92Å
542	C	95.4	Very high	87	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.014	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.1	170.5	-159.9	0	0	0	0	110.7	C515 H518 G519 C525 W535	C515-C542 CarbonylContact C-O 3.51Å; C515-C542 WeakPolarHBondContact O-CB 3.45Å; H518-C542 HydrophobicContact CB-CB 3.78Å; G519-C542 PolarHBondContact O-N 3.07Å; C525-C542 VanDerWaalsContact CA-SG 3.59Å; C525-C542 HydrophobicContact CB-CB 3.55Å; C525-C542 WeakPolarHBondContact CB-SG 3.44Å; C525-C542 WeakPolarHBondContact SG-CB 3.43Å; C525-C542 CovalentContact SG-SG 2.03Å; C525-C542 PolarHBondContact SG-SG 3.33Å; W535-C542 HydrophobicContact CE3-CB 4.32Å
543	T	93.4	Very high	86.7	Confident	36 Å²	36	60.8 Å²	60.8	22%	0.221	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	162.1	-171.3	57.5	0	0	0	0	112.1	C515 G534 I536	C515-T543 WeakPolarHBondContact CB-O 3.35Å; G534-T543 PolarHBondContact N-O 2.73Å; G534-T543 VanDerWaalsContact N-O 3.16Å; G534-T543 PolarHBondContact O-N 3.17Å; I536-T543 HydrophobicContact CD1-CG2 4.42Å; I536-T543 WeakPolarHBondContact CD1-OG1 3.47Å; I536-T543 VanDerWaalsContact CG1-OG1 3.28Å; I536-T543 WeakPolarHBondContact CG1-OG1 3.45Å
544	H	92	Very high	86.6	Confident	63 Å²	63	63.5 Å²	63.5	29%	0.292	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	133.1	173.2	-172.8	-93.8	0	0	0	111.6	Y532	Y532-H544 AromaticContact CD1-NE2 3.93Å; Y532-H544 CarbonylContact O-C 3.57Å; Y532-H544 WeakPolarHBondContact O-CA 3.38Å
545	L	88.1	Confident	86.5	Confident	5 Å²	5	65.7 Å²	65.7	3%	0.026	35%	0.352	C	S	.	.			trans	-93.6	112.4	-179.8	-61.2	-177	0	0	0	111.3	P431 Y532 F553	P431-L545 HydrophobicContact CG-CD1 3.95Å; Y532-L545 PolarHBondContact O-N 2.96Å; L545-F553 HydrophobicContact CD1-CD2 3.7Å; L545-F553 HydrophobicContact CD1-CE2 4.02Å; L545-F553 HydrophobicContact CD1-CG 4.17Å; L545-F553 HydrophobicContact CD2-CB 3.72Å; L545-F553 HydrophobicContact CD2-CD1 4.3Å; L545-F553 HydrophobicContact CD2-CD2 4.21Å; L545-F553 HydrophobicContact CD2-CG 3.82Å
546	S	80.1	Confident	86.5	Confident	64 Å²	64	65.8 Å²	65.8	45%	0.448	36%	0.355	S	S	.	.			trans	-88.4	138.5	169.8	-60	0	0	0	0	110.5	N548 S549	S546-N548 PolarHBondContact O-N 2.91Å; S546-S549 VanDerWaalsContact O-CB 3.28Å; S546-S549 WeakPolarHBondContact O-CB 3.39Å; S546-S549 PolarHBondContact O-N 2.61Å
547	P	75.8	Confident	86.5	Confident	65 Å²	65	65.3 Å²	65.3	42%	0.422	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.1	-177	-28.4	35.7	0	0	0	116	Q433	Q433-P547 HydrophobicContact CG-CB 4.28Å; Q433-P547 HydrophobicContact CG-CG 4.12Å
548	N	71.7	Confident	86.5	Confident	154 Å²	154	65.8 Å²	65.8	82%	0.824	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	11.5	178.1	-66.4	-19.4	0	0	0	113.6	S546 R550	S546-N548 PolarHBondContact O-N 2.91Å; N548-R550 PolarHBondContact O-N 3.06Å
549	S	71.4	Confident	86.7	Confident	44 Å²	44	69.8 Å²	69.8	31%	0.308	37%	0.367	S	S	.	.			trans	-64.8	133.7	178.9	-172.3	0	0	0	0	111.5	S546 L551	S546-S549 VanDerWaalsContact O-CB 3.28Å; S546-S549 WeakPolarHBondContact O-CB 3.39Å; S546-S549 PolarHBondContact O-N 2.61Å; S549-L551 PolarHBondContact OG-N 3.07Å
550	R	77.1	Confident	87.2	Confident	249 Å²	249	67.8 Å²	67.8	94%	0.94	35%	0.346	S	S	*	.			trans	-100.6	-0.8	173.5	-62.2	-175	-179.3	-176.6	0.9	113.4	N548	N548-R550 PolarHBondContact O-N 3.06Å
551	L	82.1	Confident	87.3	Confident	92 Å²	92	70 Å²	70	48%	0.482	35%	0.351	S	S	.	.	S	Bend	trans	-79	150.5	-177.7	-62.8	170.3	0	0	0	110.8	I536 S549 F553	I536-L551 HydrophobicContact CD1-CB 4.09Å; I536-L551 HydrophobicContact CD1-CD1 3.81Å; I536-L551 HydrophobicContact CG2-CB 4.25Å; S549-L551 PolarHBondContact OG-N 3.07Å; L551-F553 PolarHBondContact O-N 2.72Å
552	T	87.4	Confident	87.2	Confident	75 Å²	75	70.7 Å²	70.7	46%	0.46	35%	0.353	S	S	.	.			trans	-81.6	106.9	-179.2	66.6	0	0	0	0	111.1	K537 E538	K537-T552 PolarHBondContact N-O 2.79Å; E538-T552 WeakPolarHBondContact OE1-CB 3.44Å; E538-T552 PolarHBondContact OE1-N 3.26Å; E538-T552 PolarHBondContact OE1-OG1 2.84Å
553	F	91.4	Very high	86.9	Confident	49 Å²	49	76.9 Å²	76.9	22%	0.215	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	150.9	179.2	68.2	-90.5	0	0	0	112.2	P431 Y432 W535 I536 L545 L551 Q555	P431-F553 HydrophobicContact CB-CE1 4.13Å; P431-F553 HydrophobicContact CB-CE2 4.2Å; P431-F553 HydrophobicContact CB-CZ 3.61Å; P431-F553 HydrophobicContact CG-CE1 4.47Å; P431-F553 HydrophobicContact CG-CE2 3.65Å; P431-F553 HydrophobicContact CG-CZ 3.54Å; Y432-F553 HydrophobicContact CE2-CZ 4.29Å; W535-F553 CarbonylContact O-C 3.52Å; W535-F553 VanDerWaalsContact O-CA 3.3Å; W535-F553 WeakPolarHBondContact O-CA 3.27Å; I536-F553 HydrophobicContact CG1-CB 4.31Å; L545-F553 HydrophobicContact CD1-CD2 3.7Å; L545-F553 HydrophobicContact CD1-CE2 4.02Å; L545-F553 HydrophobicContact CD1-CG 4.17Å; L545-F553 HydrophobicContact CD2-CB 3.72Å; L545-F553 HydrophobicContact CD2-CD1 4.3Å; L545-F553 HydrophobicContact CD2-CD2 4.21Å; L545-F553 HydrophobicContact CD2-CG 3.82Å; L551-F553 PolarHBondContact O-N 2.72Å; F553-Q555 HydrophobicContact CD2-CG 4.31Å; F553-Q555 HydrophobicContact CE2-CG 4.11Å
554	E	92.8	Very high	86.4	Confident	59 Å²	59	79.4 Å²	79.4	28%	0.276	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	133.6	168.6	-70.2	178.1	147.8	0	0	110.2	K522 I526 G534 W535 K537	K522-E554 WeakPolarHBondContact CE-OE2 3.14Å; K522-E554 IonicContact NZ-OE2 3.76Å; K522-E554 PolarHBondContact NZ-OE2 3.4Å; I526-E554 HydrophobicContact CD1-CB 4.27Å; I526-E554 VanDerWaalsContact CD1-O 3.29Å; I526-E554 WeakPolarHBondContact CD1-O 3.4Å; G534-E554 WeakPolarHBondContact CA-O 3.15Å; W535-E554 HydrophobicContact CB-CB 4.47Å; W535-E554 PolarHBondContact N-O 2.66Å; W535-E554 PolarHBondContact O-N 2.8Å; K537-E554 WeakPolarHBondContact CE-OE1 3.26Å; K537-E554 VanDerWaalsContact CE-OE2 3.27Å; K537-E554 WeakPolarHBondContact CE-OE2 3.22Å; K537-E554 IonicContact NZ-OE1 2.7Å; K537-E554 PolarHBondContact NZ-OE1 3.23Å; K537-E554 IonicContact NZ-OE2 3.94Å
555	Q	93.9	Very high	86.2	Confident	47 Å²	47	78.2 Å²	78.2	22%	0.22	42%	0.415	C	S	.	.			trans	-145.7	151.7	174.2	67.9	179.5	35.2	0	0	108.9	F553 I557	F553-Q555 HydrophobicContact CD2-CG 4.31Å; F553-Q555 HydrophobicContact CE2-CG 4.11Å; Q555-I557 HydrophobicContact CG-CD1 4.44Å; Q555-I557 VanDerWaalsContact NE2-CD1 3.31Å
556	D	93.4	Very high	85.8	Confident	31 Å²	31	80.8 Å²	80.8	17%	0.166	44%	0.443	C	S	.	.			trans	-138.9	99.5	168.4	178.6	-12.2	0	0	0	107.4	I526 E558 R559 G560 N561	I526-D556 HydrophobicContact CG2-CB 3.94Å; D556-E558 PolarHBondContact OD1-N 2.99Å; D556-R559 WeakPolarHBondContact OD1-CA 3.42Å; D556-R559 WeakPolarHBondContact OD1-CB 3.3Å; D556-R559 PolarHBondContact OD1-N 3.3Å; D556-G560 VanDerWaalsContact O-CA 3.3Å; D556-G560 WeakPolarHBondContact O-CA 3.44Å; D556-G560 PolarHBondContact O-N 3.28Å; D556-G560 PolarHBondContact OD1-N 3.34Å; D556-G560 PolarHBondContact OD2-N 2.96Å; D556-N561 VanDerWaalsContact OD2-CB 3.3Å; D556-N561 WeakPolarHBondContact OD2-CB 3.05Å; D556-N561 PolarHBondContact OD2-N 3.24Å
557	I	92.8	Very high	86.1	Confident	4 Å²	4	83.6 Å²	83.6	2%	0.021	45%	0.452	C	S	.	.	S	Bend	trans	-92	-30.3	-175.1	-64	165.2	0	0	0	109.9	H435 L451 R529 P531 Q555	H435-I557 WeakPolarHBondContact NE2-CD1 3.42Å; L451-I557 HydrophobicContact CD2-CG2 3.45Å; L451-I557 VanDerWaalsContact CD2-CG2 3.45Å; R529-I557 VanDerWaalsContact CZ-O 3.26Å; R529-I557 PolarHBondContact NE-O 3.32Å; R529-I557 PolarHBondContact NH2-O 2.73Å; P531-I557 HydrophobicContact CB-CD1 4.02Å; P531-I557 HydrophobicContact CG-CD1 4.23Å; P531-I557 HydrophobicContact CG-CG2 4.36Å; Q555-I557 HydrophobicContact CG-CD1 4.44Å; Q555-I557 VanDerWaalsContact NE2-CD1 3.31Å
558	E	88	Confident	86.5	Confident	121 Å²	121	82.9 Å²	82.9	57%	0.565	45%	0.448	S	S	*	.	S	Bend	trans	-73.8	-35.6	-174.8	-68.1	63.8	-142.9	0	0	112.4	H435 R529 D556	H435-E558 IonicContact CE1-OE1 2.73Å; H435-E558 PolarHBondContact CE1-OE1 2.73Å; R529-E558 PolarHBondContact NH2-O 2.72Å; D556-E558 PolarHBondContact OD1-N 2.99Å
559	R	88.3	Confident	86	Confident	198 Å²	198	84 Å²	84	75%	0.747	45%	0.448	S	S	*	.	S	Bend	trans	-125.8	-42.2	-177.2	-41.3	176	-164.8	-102.5	-1.7	111.8	R529 D556	R529-R559 PolarHBondContact NH1-O 3.15Å; D556-R559 WeakPolarHBondContact OD1-CA 3.42Å; D556-R559 WeakPolarHBondContact OD1-CB 3.3Å; D556-R559 PolarHBondContact OD1-N 3.3Å
560	G	91.3	Very high	84.8	Confident	13 Å²	13	88.5 Å²	88.5	13%	0.134	47%	0.469	C	S	.	.			trans	71	43.4	-170.7	0	0	0	0	0	112.9	D556 T562	D556-G560 VanDerWaalsContact O-CA 3.3Å; D556-G560 WeakPolarHBondContact O-CA 3.44Å; D556-G560 PolarHBondContact O-N 3.28Å; D556-G560 PolarHBondContact OD1-N 3.34Å; D556-G560 PolarHBondContact OD2-N 2.96Å; G560-T562 PolarHBondContact O-N 3.08Å
561	N	92.8	Very high	83	Confident	74 Å²	74	82 Å²	82	40%	0.396	46%	0.462	S	S	.	.			trans	-63	131.9	-175.8	-167.1	-2.1	0	0	0	111.9	I526 D556 D563	I526-N561 WeakPolarHBondContact CG2-O 3.17Å; D556-N561 VanDerWaalsContact OD2-CB 3.3Å; D556-N561 WeakPolarHBondContact OD2-CB 3.05Å; D556-N561 PolarHBondContact OD2-N 3.24Å; N561-D563 PolarHBondContact ND2-OD2 2.91Å; N561-D563 VanDerWaalsContact OD1-CB 3.3Å; N561-D563 WeakPolarHBondContact OD1-CB 3.05Å; N561-D563 PolarHBondContact OD1-N 3.12Å; N561-D563 PolarHBondContact OD1-OD2 2.96Å; N561-D563 VanDerWaalsContact OD1-OD2 3.11Å
562	T	92.1	Very high	80.9	Confident	39 Å²	39	86.5 Å²	86.5	24%	0.239	48%	0.478	C	S	.	.			trans	-122.7	10	174.8	57.6	0	0	0	0	114.2	K523 A527 G560 G564 L565	K523-T562 HydrophobicContact CG-CG2 3.95Å; K523-T562 WeakPolarHBondContact O-CG2 3.25Å; A527-T562 HydrophobicContact CB-CG2 3.9Å; G560-T562 PolarHBondContact O-N 3.08Å; T562-G564 PolarHBondContact O-N 2.79Å; T562-L565 HydrophobicContact CG2-CD1 4.24Å; T562-L565 WeakPolarHBondContact O-CB 3.29Å; T562-L565 PolarHBondContact O-N 2.83Å
563	D	89.4	Confident	78.6	Confident	133 Å²	133	89 Å²	89	71%	0.711	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	132.4	176	-63	-23.7	0	0	0	110.8	N561 L565	N561-D563 PolarHBondContact ND2-OD2 2.91Å; N561-D563 VanDerWaalsContact OD1-CB 3.3Å; N561-D563 WeakPolarHBondContact OD1-CB 3.05Å; N561-D563 PolarHBondContact OD1-N 3.12Å; N561-D563 PolarHBondContact OD1-OD2 2.96Å; N561-D563 VanDerWaalsContact OD1-OD2 3.11Å; D563-L565 PolarHBondContact O-N 2.95Å
564	G	83.4	Confident	75.7	Confident	89 Å²	89	91 Å²	91	92%	0.918	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	2	-177.5	0	0	0	0	0	115.5	T562	T562-G564 PolarHBondContact O-N 2.79Å
565	L	87.1	Confident	73	Confident	38 Å²	38	95.9 Å²	95.9	20%	0.199	55%	0.546	C	S	.	.	P	Polyproline II helix	trans	-86.2	127.1	171.3	-55.7	-173.2	0	0	0	110.7	K522 K523 I526 T562 D563	K522-L565 HydrophobicContact CD-CD2 3.97Å; K522-L565 HydrophobicContact CG-CD1 4.25Å; K522-L565 HydrophobicContact CG-CD2 4.43Å; K523-L565 HydrophobicContact CB-CB 4.16Å; K523-L565 HydrophobicContact CG-CB 4.34Å; I526-L565 HydrophobicContact CB-CD1 4.3Å; I526-L565 HydrophobicContact CG1-CD1 4.18Å; T562-L565 HydrophobicContact CG2-CD1 4.24Å; T562-L565 WeakPolarHBondContact O-CB 3.29Å; T562-L565 PolarHBondContact O-N 2.83Å; D563-L565 PolarHBondContact O-N 2.95Å
566	G	80.4	Confident	70.1	Confident	59 Å²	59	101.3 Å²	101.3	61%	0.608	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-63.1	152	174.7	0	0	0	0	0	113.2	K523	K523-G566 WeakPolarHBondContact CB-O 3.16Å
567	D	85.9	Confident	67.1	Low	122 Å²	122	107.6 Å²	107.6	65%	0.652	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-75.5	151.5	-176.8	-71.1	-65	0	0	0	114.1	K523 H569	K523-D567 WeakPolarHBondContact CD-OD1 3.43Å; K523-D567 WeakPolarHBondContact CE-OD1 3.28Å; K523-D567 IonicContact NZ-OD1 3.72Å; K523-D567 PolarHBondContact NZ-OD1 2.86Å; K523-D567 IonicContact NZ-OD2 2.63Å; D567-H569 PolarHBondContact O-N 2.82Å
568	C	84.1	Confident	64.1	Low	50 Å²	50	114.9 Å²	114.9	34%	0.338	65%	0.647	S	S	.	*			trans	-72.1	115.9	169.6	-38	0	0	0	0	108.9	C521 T524	C521-C568 HydrophobicContact CB-CB 3.83Å; C521-C568 WeakPolarHBondContact CB-SG 3.29Å; C521-C568 WeakPolarHBondContact SG-CA 3.3Å; C521-C568 WeakPolarHBondContact SG-CB 3.48Å; C521-C568 CovalentContact SG-SG 2.03Å; C521-C568 PolarHBondContact SG-SG 3.26Å; T524-C568 VanDerWaalsContact CG2-SG 3.56Å
569	H	61.7	Low	61.3	Low	177 Å²	177	114.1 Å²	114.1	82%	0.819	66%	0.655	S	S	*	*			trans	-64	138.6	162.4	-101.4	58.2	0	0	0	109.7	D567 S571	D567-H569 PolarHBondContact O-N 2.82Å; H569-S571 PolarHBondContact O-N 2.79Å
570	N	45.8	Very low	58.3	Low	140 Å²	140	110.9 Å²	110.9	75%	0.749	66%	0.658	S	S	*	*			trans	-73.6	82.5	-172.5	-84.3	-29.1	0	0	0	112.7	F572	N570-F572 PolarHBondContact O-N 3.44Å; N570-F572 VanDerWaalsContact O-N 3.14Å
571	S	39.5	Very low	55.4	Low	112 Å²	112	116 Å²	116	78%	0.783	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	4.3	166.8	-48.1	0	0	0	0	113.9	H569	H569-S571 PolarHBondContact O-N 2.79Å
572	F	38.3	Very low	52.2	Low	186 Å²	186	120 Å²	120	82%	0.816	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	21.4	-170.9	-102.3	-78.7	0	0	0	114.9	N570	N570-F572 PolarHBondContact O-N 3.44Å; N570-F572 VanDerWaalsContact O-N 3.14Å
573	V	37.8	Very low	49.6	Very low	129 Å²	129	123.6 Å²	123.6	78%	0.782	73%	0.733	S	S	*	*	S	Bend	trans	-136.5	60.4	169.9	-165.9	0	0	0	0	110.9
574	A	30.9	Very low	46.7	Very low	91 Å²	91	125.3 Å²	125.3	75%	0.752	74%	0.742	S	S	*	*			trans	-164.1	53.2	172.4	0	0	0	0	0	114.3
575	L	36.3	Very low	44.2	Very low	161 Å²	161	128.9 Å²	128.9	84%	0.843	73%	0.734	S	S	*	*	S	Bend	trans	-136.6	21.7	164.5	-92.8	-177.6	0	0	0	113.7
576	N	33.9	Very low	41.4	Very low	161 Å²	161	133.8 Å²	133.8	86%	0.861	76%	0.756	S	S	*	*	S	Bend	trans	-115.7	61.1	166.7	-79.8	5.2	0	0	0	109.3
577	D	29.9	Very low	38.9	Very low	162 Å²	162	137.9 Å²	137.9	87%	0.866	76%	0.761	S	S	*	*			trans	-166.7	87.3	161.2	-100.8	-30.6	0	0	0	110.4
578	I	30.3	Very low	36.1	Very low	157 Å²	157	135.8 Å²	135.8	81%	0.805	76%	0.756	S	S	*	*			trans	-132	100.8	155.3	-62.2	-175.5	0	0	0	107.8
579	S	27.3	Very low	33.4	Very low	105 Å²	105	142.6 Å²	142.6	73%	0.734	78%	0.776	S	S	*	*			trans	20.1	117.2	150.9	-51.6	0	0	0	0	119	P581	S579-P581 WeakPolarHBondContact O-CD 3.4Å
580	T	25.2	Very low	31.7	Very low	131 Å²	131	140.9 Å²	140.9	80%	0.804	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-65.9	124.4	156	49	0	0	0	0	111.4
581	P	30.8	Very low	30.9	Very low	119 Å²	119	139.5 Å²	139.5	77%	0.773	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-88	132.8	157.8	33.3	-28.1	0	0	0	109.9	S579	S579-P581 WeakPolarHBondContact O-CD 3.4Å
582	L	27.1	Very low	30.4	Very low	160 Å²	160	139.6 Å²	139.6	84%	0.838	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-83.5	160.6	157.3	-108	79.1	0	0	0	109.6
583	P	37.3	Very low	30	Very low	113 Å²	113	141.6 Å²	141.6	73%	0.734	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-90.7	157.6	-159.6	35.8	-37.2	0	0	0	114.5
584	D	27.8	Very low	29.5	Very low	170 Å²	170	138.4 Å²	138.4	91%	0.909	76%	0.763	S	S	*	*			trans	-136.4	162.3	154.5	-98.8	-47.7	0	0	0	109.4
585	H	30.1	Very low	29.4	Very low	164 Å²	164	143.4 Å²	143.4	76%	0.759	77%	0.77	S	S	*	*			trans	-83	160.4	-159	-94.8	-93.8	0	0	0	117.7
586	E	28.9	Very low	29	Very low	140 Å²	140	140.5 Å²	140.5	65%	0.654	76%	0.763	S	S	*	*			trans	-23.9	154.7	146.1	-59.9	161.5	119	0	0	115.7
587	M	27.7	Very low	28.8	Very low	145 Å²	145	138.4 Å²	138.4	71%	0.714	76%	0.761	S	S	*	*			cis	-171	178.8	2.7	-116.9	-167	-77.9	0	0	107.8
588	S	26.5	Very low	28.8	Very low	79 Å²	79	136.3 Å²	136.3	55%	0.552	76%	0.759	S	S	*	*			cis	-170	-179.5	-4.1	47.9	0	0	0	0	110.1
589	Y	28.1	Very low	28.8	Very low	193 Å²	193	136.4 Å²	136.4	76%	0.757	76%	0.76	S	S	*	*			trans	41.1	121.1	159.5	-49.8	-61.6	0	0	0	119.7
590	N	27	Very low	28.9	Very low	141 Å²	141	139 Å²	139	75%	0.754	77%	0.766	S	S	*	*				-172.5	130.5	64.5	-101.3	-57.5	0	0	0	115.3
591	T	28.6	Very low	29.8	Very low	110 Å²	110	138.5 Å²	138.5	68%	0.675	76%	0.764	S	S	*	*				62	94.1	116.9	-46	0	0	0	0	124.4
592	V	29	Very low	29.6	Very low	114 Å²	114	137.9 Å²	137.9	69%	0.691	76%	0.763	S	S	*	*				75.7	147.9	128	-176.3	0	0	0	0	122.9
593	Y	29.2	Very low	29.7	Very low	228 Å²	228	136 Å²	136	89%	0.894	76%	0.758	S	S	*	*			trans	73.7	141	179.1	-64.9	-66.7	0	0	0	117
594	G	27.1	Very low	29.3	Very low	63 Å²	63	136.3 Å²	136.3	65%	0.649	76%	0.758	S	S	*	*			cis	173.3	173.4	-7.3	0	0	0	0	0	114
595	H	28.4	Very low	29.5	Very low	196 Å²	196	134.9 Å²	134.9	91%	0.907	76%	0.756	S	S	*	*			trans	70.7	174.8	171.7	-80	-70.1	0	0	0	120.4
596	S	29.1	Very low	29.6	Very low	99 Å²	99	132.9 Å²	132.9	69%	0.692	76%	0.76	S	S	*	*			trans	-162.2	160.3	-144.2	50.4	0	0	0	0	115.8
597	S	29.2	Very low	29.6	Very low	118 Å²	118	133.3 Å²	133.3	83%	0.825	77%	0.767	S	S	*	*			trans	75.1	101	154.3	-57.7	0	0	0	0	121.8
598	S	29.4	Very low	29.8	Very low	117 Å²	117	132.2 Å²	132.2	82%	0.818	77%	0.773	S	S	*	*			trans	-164.1	147.2	134.1	49.4	0	0	0	0	107.6
599	L	30.3	Very low	30.1	Very low	159 Å²	159	134.6 Å²	134.6	83%	0.832	79%	0.785	S	S	*	*			cis	117.9	125.3	14.7	-97.6	173.1	0	0	0	111.7
600	L	30.6	Very low	30.2	Very low	161 Å²	161	130 Å²	130	84%	0.843	79%	0.787	S	S	*	*			trans	79.9	132.7	166.2	-64.3	164.5	0	0	0	120.1
601	P	42.8	Very low	30.3	Very low	119 Å²	119	131.3 Å²	131.3	77%	0.773	79%	0.789	S	S	*	*			trans	-110.6	161	172	40.8	-32.8	0	0	0	114.1
602	S	27.9	Very low	30.3	Very low	106 Å²	106	133.9 Å²	133.9	74%	0.741	79%	0.793	S	S	*	*			trans	-168.7	111.6	164.3	-95.6	0	0	0	0	109.8
603	T	29.4	Very low	30.3	Very low	121 Å²	121	131.7 Å²	131.7	74%	0.742	79%	0.793	S	S	*	*				93.8	166.4	89.6	57.9	0	0	0	0	115
604	T	29.4	Very low	30.3	Very low	120 Å²	120	132.1 Å²	132.1	74%	0.736	80%	0.795	S	S	*	*			trans	70.8	100.1	176.1	60.7	0	0	0	0	115.8
605	T	30.1	Very low	30.5	Very low	140 Å²	140	137 Å²	137	86%	0.859	80%	0.801	S	S	*	*				80.8	121.9	67.6	60.9	0	0	0	0	114.3
606	S	32.1	Very low	30.7	Very low	122 Å²	122	132.4 Å²	132.4	85%	0.853	79%	0.791	S	S	*	*			trans	-130.3	125.3	166.4	57	0	0	0	0	108.7
607	D	30	Very low	30.7	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	80%	0.803	S	S	*	*			trans	-137.7	131.7	-178.4	-168.2	9.7	0	0	0	109.2
608	S	32.1	Very low	30.7	Very low	122 Å²	122	137.9 Å²	137.9	85%	0.853	80%	0.803	S	S	*	*			trans	-157.1	101.3	-173.7	-71.3	0	0	0	0	111.1
609	T	32.1	Very low	30.8	Very low	130 Å²	130	136.3 Å²	136.3	80%	0.798	81%	0.805	S	S	*	*			trans	-94.8	142	179	53.9	0	0	0	0	113.3
610	A	30.4	Very low	30.5	Very low	97 Å²	97	136.9 Å²	136.9	80%	0.802	81%	0.805	S	S	*	*			trans	164	153.2	145.2	0	0	0	0	0	111.4
611	Q	28.5	Very low	30.5	Very low	168 Å²	168	136.4 Å²	136.4	79%	0.785	80%	0.803	S	S	*	*			cis	-161	175.3	-29.4	-172.6	156.6	0.4	0	0	108.3
612	E	30.1	Very low	29.8	Very low	164 Å²	164	136.2 Å²	136.2	77%	0.766	80%	0.795	S	S	*	*			trans	-53.2	159.6	173.8	-54.5	127.4	124.5	0	0	113.5
613	G	28.8	Very low	29.8	Very low	67 Å²	67	140.4 Å²	140.4	69%	0.691	80%	0.795	S	S	*	*			cis	132.7	140.7	3.6	0	0	0	0	0	111.6
614	Y	28.3	Very low	29.6	Very low	237 Å²	237	142.1 Å²	142.1	93%	0.929	79%	0.792	S	S	*	*			trans	-167.6	159.8	163.2	-129.9	-89.7	0	0	0	113.6
615	E	31.2	Very low	29.5	Very low	166 Å²	166	143 Å²	143	78%	0.776	79%	0.788	S	S	*	*			trans	-108.2	157.5	-176	-51.1	174.6	106.1	0	0	114.1
616	S	32.3	Very low	29.4	Very low	100 Å²	100	143.5 Å²	143.5	70%	0.699	78%	0.784	S	S	*	*				159.2	139.9	113.3	-85.8	0	0	0	0	116.5
617	R	30.9	Very low	29.3	Very low	253 Å²	253	144.7 Å²	144.7	96%	0.955	78%	0.78	S	S	*	*			trans	62.5	145	160.1	-64.1	176.3	175.5	-156.8	-2.4	117.6
618	G	29.1	Very low	29.1	Very low	79 Å²	79	144.8 Å²	144.8	81%	0.814	78%	0.781	S	S	*	*			cis	162.3	161.4	-6.9	0	0	0	0	0	112.3
619	G	29.7	Very low	28.9	Very low	84 Å²	84	143.8 Å²	143.8	87%	0.866	77%	0.774	S	S	*	*			trans	137.9	137.8	176.6	0	0	0	0	0	112.9
620	M	25.4	Very low	29.9	Very low	171 Å²	171	143 Å²	143	84%	0.842	77%	0.771	S	S	*	*			trans	-151.3	164	179.9	-171	167.8	74.1	0	0	109.7
621	L	30.8	Very low	29.8	Very low	150 Å²	150	145.3 Å²	145.3	79%	0.785	77%	0.77	S	S	*	*			trans	82	148.3	176.5	-49.5	172.9	0	0	0	115.2
622	D	27.3	Very low	29.9	Very low	115 Å²	115	141.8 Å²	141.8	62%	0.615	76%	0.764	S	S	*	*			cis	-170.3	-177.8	-27.2	-170	8.9	0	0	0	107.8
623	W	27.6	Very low	30	Very low	195 Å²	195	140.1 Å²	140.1	74%	0.739	77%	0.765	S	S	*	*			trans	81.4	67.6	162.6	-58	101.1	0	0	0	120.6
624	K	26.5	Very low	30.1	Very low	156 Å²	156	144 Å²	144	68%	0.678	77%	0.77	S	S	*	*				22.9	113	106	-172.3	-162.1	-175.9	-177.1	0	117.6
625	H	26.9	Very low	31.2	Very low	140 Å²	140	138 Å²	138	65%	0.648	76%	0.76	S	S	*	*				178	134.7	118.1	-106.8	-89.6	0	0	0	115.5
626	L	27.2	Very low	31.4	Very low	150 Å²	150	138.4 Å²	138.4	79%	0.785	77%	0.766	S	S	*	*			trans	71.1	153.7	146.8	-73.5	163.7	0	0	0	124.2
627	L	30.1	Very low	31.2	Very low	146 Å²	146	137.3 Å²	137.3	76%	0.764	77%	0.771	S	S	*	*			trans	-68.5	170	173.2	-62.7	120.8	0	0	0	111.3
628	D	26.3	Very low	31.3	Very low	150 Å²	150	129.6 Å²	129.6	80%	0.802	76%	0.761	S	S	*	*			cis	-157.5	-174.4	34.4	-143.5	-30.3	0	0	0	114.1
629	S	27.2	Very low	31.4	Very low	102 Å²	102	132.8 Å²	132.8	71%	0.713	77%	0.765	S	S	*	*			trans	-97	-167.6	-179.6	-135.1	0	0	0	0	112.3
630	P	53.1	Low	31.3	Very low	112 Å²	112	133.5 Å²	133.5	73%	0.727	76%	0.757	S	S	*	*			cis	-138.2	-170.4	-17.4	31.2	-7.2	0	0	0	115.6
631	D	29.3	Very low	31.6	Very low	146 Å²	146	129.4 Å²	129.4	78%	0.781	75%	0.745	S	S	*	*				116.2	137.8	125.5	-145.4	10.7	0	0	0	124
632	S	29.8	Very low	31.5	Very low	94 Å²	94	129.8 Å²	129.8	66%	0.657	74%	0.742	S	S	*	*			trans	80.3	138.8	146.2	74.3	0	0	0	0	127.3
633	T	31.6	Very low	31.7	Very low	129 Å²	129	131.3 Å²	131.3	79%	0.791	75%	0.75	S	S	*	*			trans	101.7	142.6	142.1	-5.9	0	0	0	0	124.4
634	D	30.6	Very low	31.8	Very low	149 Å²	149	128.8 Å²	128.8	80%	0.797	75%	0.746	S	S	*	*			trans	-90.1	-155.9	-176.2	-48.3	-87.1	0	0	0	114.4
635	P	52.9	Low	31.9	Very low	111 Å²	111	129.7 Å²	129.7	72%	0.721	75%	0.753	S	S	*	*			cis	-144.5	-165.4	-3	37.7	-12.6	0	0	0	119.2
636	L	34.5	Very low	32.1	Very low	174 Å²	174	127.6 Å²	127.6	91%	0.911	75%	0.746	S	S	*	*			trans	90.2	159.8	170	-51.2	178.6	0	0	0	117.6
637	G	28.3	Very low	32.3	Very low	77 Å²	77	128.3 Å²	128.3	79%	0.794	74%	0.743	S	S	*	*			cis	141.3	150.7	-7.3	0	0	0	0	0	113.2
638	A	33.5	Very low	32.6	Very low	91 Å²	91	129 Å²	129	75%	0.752	74%	0.74	S	S	*	*			cis	-171.2	-179.2	-12.6	0	0	0	0	0	111.9
639	V	30	Very low	33	Very low	147 Å²	147	125 Å²	125	89%	0.891	73%	0.734	S	S	*	*			trans	64.4	157.5	170.3	-114.6	0	0	0	0	118.2
640	S	28.5	Very low	33.1	Very low	99 Å²	99	126.3 Å²	126.3	69%	0.692	74%	0.737	S	S	*	*			cis	-154.3	167.8	4.1	-160.8	0	0	0	0	116.1
641	S	31.3	Very low	32.1	Very low	85 Å²	85	127.5 Å²	127.5	59%	0.594	74%	0.736	S	S	*	*			trans	-18.7	155.9	167	52.3	0	0	0	0	122
642	H	30.1	Very low	32.1	Very low	157 Å²	157	131.5 Å²	131.5	73%	0.727	74%	0.74	S	S	*	*				-168.8	159.3	64.1	-111.2	-76.6	0	0	0	118.3
643	N	30.1	Very low	32.1	Very low	148 Å²	148	134.8 Å²	134.8	79%	0.791	75%	0.745	S	S	*	*			trans	72.6	144.4	153.2	-67.5	-3.4	0	0	0	121.9
644	H	30	Very low	31.9	Very low	142 Å²	142	134 Å²	134	66%	0.657	75%	0.745	S	S	*	*			trans	-168	130.4	-158.9	179.8	15.1	0	0	0	111.5	K648	H644-K648 PolarHBondContact NE2-NZ 2.9Å
645	Q	28.6	Very low	31.7	Very low	175 Å²	175	137.5 Å²	137.5	82%	0.818	75%	0.749	S	S	*	*			trans	-165.3	145.7	167	-103.3	170.9	-15.7	0	0	107.4
646	D	31.8	Very low	30.8	Very low	95 Å²	95	140.1 Å²	140.1	51%	0.508	76%	0.756	S	S	.	*			cis	-179.5	144.8	-17.5	-126.1	-13.4	0	0	0	106.7
647	K	31.1	Very low	30.9	Very low	165 Å²	165	140.6 Å²	140.6	72%	0.717	75%	0.751	S	S	*	*			cis	-130.1	170	-7.9	-95.1	106.6	-178.9	163.5	0	106.9
648	K	37	Very low	30.9	Very low	162 Å²	162	140.6 Å²	140.6	70%	0.704	75%	0.75	S	S	*	*			cis	76.1	136.9	32.7	-68.2	173.3	171.4	162.3	0	114.7	H644	H644-K648 PolarHBondContact NE2-NZ 2.9Å
649	G	33	Very low	31.3	Very low	64 Å²	64	144.9 Å²	144.9	66%	0.66	75%	0.754	S	S	*	*			cis	-147.7	-156.2	-5.4	0	0	0	0	0	109.8
650	V	29.5	Very low	31.5	Very low	131 Å²	131	145.5 Å²	145.5	79%	0.794	75%	0.753	S	S	*	*			cis	-153	118.9	12.4	179.2	0	0	0	0	105.2
651	I	33.2	Very low	32.7	Very low	136 Å²	136	149.8 Å²	149.8	70%	0.697	76%	0.762	S	S	*	*				61.7	124.9	83.5	-66.8	172.1	0	0	0	111.2
652	R	29.3	Very low	33.5	Very low	230 Å²	230	153.1 Å²	153.1	87%	0.868	77%	0.772	S	S	*	*				-151	136.7	70.5	-158.2	175.7	-159.4	147	4.3	114.6
653	E	28.5	Very low	34.7	Very low	163 Å²	163	150 Å²	150	76%	0.762	76%	0.764	S	S	*	*			trans	-88.5	176.4	176.5	-66	167.1	108.1	0	0	112.9
654	S	29.1	Very low	36.4	Very low	113 Å²	113	146.1 Å²	146.1	79%	0.79	75%	0.747	S	S	*	*			trans	-49.9	151.2	160.9	42.3	0	0	0	0	113.1
655	Y	26.5	Very low	38.3	Very low	223 Å²	223	144.6 Å²	144.6	88%	0.875	75%	0.747	S	S	*	*			trans	-125.3	135.9	162.4	-119.3	-104.9	0	0	0	108.9
656	L	33.5	Very low	40.2	Very low	166 Å²	166	141 Å²	141	87%	0.869	74%	0.737	S	S	*	*			trans	-132.4	138.7	173.3	-152.5	165.3	0	0	0	107.1
657	K	35.2	Very low	42	Very low	184 Å²	184	141.5 Å²	141.5	80%	0.8	74%	0.739	S	S	*	*			trans	81.5	94.4	178.1	-158.3	174.3	-173.5	175.7	0	115.8
658	G	29.2	Very low	44.1	Very low	76 Å²	76	138 Å²	138	78%	0.784	73%	0.728	S	S	*	*			trans	-142.8	113	150	0	0	0	0	0	106.8	D660	G658-D660 PolarHBondContact O-N 3.32Å
659	H	41.4	Very low	46	Very low	181 Å²	181	132.4 Å²	132.4	84%	0.838	71%	0.712	S	S	*	*			trans	-88.5	99.1	178.9	-102.8	-68.6	0	0	0	108.9
660	D	35.3	Very low	48.4	Very low	161 Å²	161	133.8 Å²	133.8	86%	0.861	70%	0.703	S	S	*	*			trans	-125.2	135.8	156.1	-98.8	-49.2	0	0	0	111.4	G658 L662	G658-D660 PolarHBondContact O-N 3.32Å; D660-L662 PolarHBondContact O-N 2.95Å; D660-L662 VanDerWaalsContact O-N 3.16Å
661	Q	52.4	Low	50.8	Low	189 Å²	189	130.1 Å²	130.1	88%	0.883	69%	0.687	S	S	*	*			trans	-57.2	97.8	-169	177.2	177	69	0	0	114.4
662	L	48	Very low	53.3	Low	155 Å²	155	128 Å²	128	81%	0.812	68%	0.68	S	S	*	*			trans	-159.2	111.2	158.8	-106.4	157.6	0	0	0	110.6	D660	D660-L662 PolarHBondContact O-N 2.95Å; D660-L662 VanDerWaalsContact O-N 3.16Å
663	V	55.5	Low	56	Low	90 Å²	90	122 Å²	122	55%	0.545	66%	0.664	S	S	.	*			trans	-68.8	128.5	168.9	178.3	0	0	0	0	107.9	V665 L668	V663-V665 PolarHBondContact O-N 3.12Å; V663-V665 VanDerWaalsContact O-N 3.11Å; V663-L668 HydrophobicContact CB-CD1 3.98Å; V663-L668 HydrophobicContact CG1-CD1 3.85Å; V663-L668 HydrophobicContact CG1-CG 3.87Å
664	P	67	Low	58.8	Low	68 Å²	68	119.2 Å²	119.2	44%	0.442	65%	0.654	S	S	.	*			trans	-55.1	121.7	178.2	-27.6	35.7	0	0	0	110.9	T666 L667 L668	P664-T666 PolarHBondContact O-N 3.29Å; P664-L667 HydrophobicContact CB-CB 4.4Å; P664-L667 HydrophobicContact CB-CD1 4.28Å; P664-L667 HydrophobicContact CB-CG 4.31Å; P664-L667 HydrophobicContact CG-CD1 4.09Å; P664-L667 PolarHBondContact O-N 3.39Å; P664-L668 PolarHBondContact O-N 3.03Å; P664-L668 VanDerWaalsContact O-N 3.1Å
665	V	70	Confident	61.5	Low	110 Å²	110	116.9 Å²	116.9	67%	0.667	64%	0.642	S	S	*	*	H	α-helix	trans	-56.6	-28.5	-177.8	-179.5	0	0	0	0	111.1	V663 A669	V663-V665 PolarHBondContact O-N 3.12Å; V663-V665 VanDerWaalsContact O-N 3.11Å; V665-A669 WeakPolarHBondContact O-CB 3.25Å; V665-A669 PolarHBondContact O-N 2.94Å
666	T	67.7	Low	64.6	Low	99 Å²	99	114.1 Å²	114.1	61%	0.607	63%	0.634	S	S	*	*	H	α-helix	trans	-62.9	-44	171.3	48	0	0	0	0	113.7	P664 A669 I670	P664-T666 PolarHBondContact O-N 3.29Å; T666-A669 PolarHBondContact O-N 3.28Å; T666-I670 WeakPolarHBondContact O-CB 3.49Å; T666-I670 WeakPolarHBondContact O-CD1 3.44Å; T666-I670 WeakPolarHBondContact O-CG1 3.26Å; T666-I670 PolarHBondContact O-N 2.82Å
667	L	70.6	Confident	67.3	Low	105 Å²	105	109.9 Å²	109.9	55%	0.55	62%	0.615	S	S	.	*	H	α-helix	trans	-70.8	-38.3	176.8	-72.8	175.4	0	0	0	111.6	P664 I670 A671	P664-L667 HydrophobicContact CB-CB 4.4Å; P664-L667 HydrophobicContact CB-CD1 4.28Å; P664-L667 HydrophobicContact CB-CG 4.31Å; P664-L667 HydrophobicContact CG-CD1 4.09Å; P664-L667 PolarHBondContact O-N 3.39Å; L667-I670 PolarHBondContact O-N 3.09Å; L667-A671 VanDerWaalsContact O-CB 3.3Å; L667-A671 WeakPolarHBondContact O-CB 3.28Å; L667-A671 PolarHBondContact O-N 3.46Å
668	L	73.8	Confident	69.8	Low	92 Å²	92	106.1 Å²	106.1	48%	0.482	60%	0.602	S	S	.	*	H	α-helix	trans	-63	-44.2	171.7	-102.2	166.2	0	0	0	111.6	V663 P664 A671 V672	V663-L668 HydrophobicContact CB-CD1 3.98Å; V663-L668 HydrophobicContact CG1-CD1 3.85Å; V663-L668 HydrophobicContact CG1-CG 3.87Å; P664-L668 PolarHBondContact O-N 3.03Å; P664-L668 VanDerWaalsContact O-N 3.1Å; L668-A671 PolarHBondContact O-N 3.22Å; L668-V672 WeakPolarHBondContact O-CB 3.46Å; L668-V672 VanDerWaalsContact O-CG2 3.29Å; L668-V672 WeakPolarHBondContact O-CG2 3.27Å; L668-V672 PolarHBondContact O-N 2.9Å
669	A	77.6	Confident	72.6	Confident	45 Å²	45	104.2 Å²	104.2	37%	0.372	58%	0.583	S	S	.	*	H	α-helix	trans	-62.7	-44.4	175.9	0	0	0	0	0	112	V665 T666 V672 I673	V665-A669 WeakPolarHBondContact O-CB 3.25Å; V665-A669 PolarHBondContact O-N 2.94Å; T666-A669 PolarHBondContact O-N 3.28Å; A669-V672 PolarHBondContact O-N 3.41Å; A669-I673 WeakPolarHBondContact O-CB 3.43Å; A669-I673 WeakPolarHBondContact O-CD1 3.47Å; A669-I673 WeakPolarHBondContact O-CG1 3.07Å; A669-I673 PolarHBondContact O-N 2.84Å
670	I	83.3	Confident	74.8	Confident	93 Å²	93	98 Å²	98	48%	0.477	56%	0.563	S	S	.	*	H	α-helix	trans	-62.1	-44.5	175.4	-70.8	163.5	0	0	0	110.7	T666 L667 I673 L674	T666-I670 WeakPolarHBondContact O-CB 3.49Å; T666-I670 WeakPolarHBondContact O-CD1 3.44Å; T666-I670 WeakPolarHBondContact O-CG1 3.26Å; T666-I670 PolarHBondContact O-N 2.82Å; L667-I670 PolarHBondContact O-N 3.09Å; I670-I673 PolarHBondContact O-N 3.49Å; I670-L674 HydrophobicContact CG2-CD1 3.83Å; I670-L674 HydrophobicContact CG2-CG 4.39Å; I670-L674 WeakPolarHBondContact O-CB 3.32Å; I670-L674 VanDerWaalsContact O-CG 3.29Å; I670-L674 WeakPolarHBondContact O-CG 3.42Å; I670-L674 PolarHBondContact O-N 3.27Å
671	A	79.8	Confident	77.4	Confident	54 Å²	54	94 Å²	94	45%	0.446	54%	0.544	S	S	.	.	H	α-helix	trans	-63.1	-41.8	177.1	0	0	0	0	0	112.4	L667 L668 A675	L667-A671 VanDerWaalsContact O-CB 3.3Å; L667-A671 WeakPolarHBondContact O-CB 3.28Å; L667-A671 PolarHBondContact O-N 3.46Å; L668-A671 PolarHBondContact O-N 3.22Å; A671-A675 VanDerWaalsContact O-CB 3.25Å; A671-A675 WeakPolarHBondContact O-CB 3.1Å; A671-A675 PolarHBondContact O-N 2.96Å
672	V	85.2	Confident	79	Confident	90 Å²	90	91.1 Å²	91.1	55%	0.545	53%	0.528	S	S	.	.	H	α-helix	trans	-67.2	-41.8	175.9	169.2	0	0	0	0	111.4	L668 A669 A675 F676	L668-V672 WeakPolarHBondContact O-CB 3.46Å; L668-V672 VanDerWaalsContact O-CG2 3.29Å; L668-V672 WeakPolarHBondContact O-CG2 3.27Å; L668-V672 PolarHBondContact O-N 2.9Å; A669-V672 PolarHBondContact O-N 3.41Å; V672-A675 PolarHBondContact O-N 3.04Å; V672-F676 VanDerWaalsContact O-CB 3.28Å; V672-F676 WeakPolarHBondContact O-CB 3.38Å; V672-F676 PolarHBondContact O-N 3.06Å
673	I	87.3	Confident	80.8	Confident	105 Å²	105	86.9 Å²	86.9	54%	0.538	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-45.9	175.8	-71.1	163.7	0	0	0	110.4	A669 I670 F676 V677	A669-I673 WeakPolarHBondContact O-CB 3.43Å; A669-I673 WeakPolarHBondContact O-CD1 3.47Å; A669-I673 WeakPolarHBondContact O-CG1 3.07Å; A669-I673 PolarHBondContact O-N 2.84Å; I670-I673 PolarHBondContact O-N 3.49Å; I673-F676 PolarHBondContact O-N 3.25Å; I673-V677 HydrophobicContact CG2-CG2 4.38Å; I673-V677 WeakPolarHBondContact O-CB 3.5Å; I673-V677 VanDerWaalsContact O-CG2 3.31Å; I673-V677 WeakPolarHBondContact O-CG2 3.43Å; I673-V677 PolarHBondContact O-N 3.03Å
674	L	85.6	Confident	82.3	Confident	104 Å²	104	84.5 Å²	84.5	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-63.5	-43	176.4	-72	171.3	0	0	0	111.7	I670 F676 V677 M678	I670-L674 HydrophobicContact CG2-CD1 3.83Å; I670-L674 HydrophobicContact CG2-CG 4.39Å; I670-L674 WeakPolarHBondContact O-CB 3.32Å; I670-L674 VanDerWaalsContact O-CG 3.29Å; I670-L674 WeakPolarHBondContact O-CG 3.42Å; I670-L674 PolarHBondContact O-N 3.27Å; L674-F676 VanDerWaalsContact C-N 3.33Å; L674-F676 PolarHBondContact O-N 3.11Å; L674-V677 PolarHBondContact O-N 2.74Å; L674-M678 VanDerWaalsContact O-CB 3.31Å; L674-M678 WeakPolarHBondContact O-CB 3.49Å; L674-M678 WeakPolarHBondContact O-CG 3.45Å; L674-M678 PolarHBondContact O-N 3.43Å
675	A	87.1	Confident	83.3	Confident	65 Å²	65	85.5 Å²	85.5	54%	0.537	51%	0.506	S	S	.	.	H	α-helix	trans	-62.3	-39.2	174.8	0	0	0	0	0	112.2	A671 V672 G679	A671-A675 VanDerWaalsContact O-CB 3.25Å; A671-A675 WeakPolarHBondContact O-CB 3.1Å; A671-A675 PolarHBondContact O-N 2.96Å; V672-A675 PolarHBondContact O-N 3.04Å; A675-G679 PolarHBondContact O-N 2.86Å
676	F	90.4	Very high	84	Confident	164 Å²	164	84.2 Å²	84.2	72%	0.719	50%	0.499	S	S	*	.	H	α-helix	trans	-71.4	-41.8	177.9	-165.2	-89.2	0	0	0	112.3	V672 I673 L674 G679 A680	V672-F676 VanDerWaalsContact O-CB 3.28Å; V672-F676 WeakPolarHBondContact O-CB 3.38Å; V672-F676 PolarHBondContact O-N 3.06Å; I673-F676 PolarHBondContact O-N 3.25Å; L674-F676 VanDerWaalsContact C-N 3.33Å; L674-F676 PolarHBondContact O-N 3.11Å; F676-G679 PolarHBondContact O-N 2.83Å; F676-A680 WeakPolarHBondContact O-CB 3.42Å; F676-A680 PolarHBondContact O-N 3.2Å
677	V	90.2	Very high	84.9	Confident	78 Å²	78	83.9 Å²	83.9	47%	0.473	50%	0.496	S	S	.	.	H	α-helix	trans	-63.9	-46.7	174.7	169.4	0	0	0	0	110.7	I673 L674 G679 A680 V681	I673-V677 HydrophobicContact CG2-CG2 4.38Å; I673-V677 WeakPolarHBondContact O-CB 3.5Å; I673-V677 VanDerWaalsContact O-CG2 3.31Å; I673-V677 WeakPolarHBondContact O-CG2 3.43Å; I673-V677 PolarHBondContact O-N 3.03Å; L674-V677 PolarHBondContact O-N 2.74Å; V677-G679 VanDerWaalsContact C-N 3.34Å; V677-G679 PolarHBondContact O-N 2.93Å; V677-A680 PolarHBondContact O-N 3.19Å; V677-V681 WeakPolarHBondContact O-CG2 3.47Å; V677-V681 PolarHBondContact O-N 2.79Å
678	M	88.4	Confident	85.6	Confident	104 Å²	104	86.8 Å²	86.8	51%	0.512	50%	0.501	S	S	.	.	H	α-helix	trans	-64	-39.4	175.7	-68.1	-64.4	-79.5	0	0	111.5	L674 V681 F682	L674-M678 VanDerWaalsContact O-CB 3.31Å; L674-M678 WeakPolarHBondContact O-CB 3.49Å; L674-M678 WeakPolarHBondContact O-CG 3.45Å; L674-M678 PolarHBondContact O-N 3.43Å; M678-V681 PolarHBondContact O-N 2.98Å; M678-F682 HydrophobicContact CE-CE2 4.01Å; M678-F682 WeakPolarHBondContact O-CB 3.25Å; M678-F682 VanDerWaalsContact O-CD2 3.27Å; M678-F682 WeakPolarHBondContact O-CD2 3.47Å; M678-F682 PolarHBondContact O-N 3.29Å
679	G	88.9	Confident	85.9	Confident	37 Å²	37	85.7 Å²	85.7	38%	0.381	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-40.6	173.3	0	0	0	0	0	113.1	A675 F676 V677 S683	A675-G679 PolarHBondContact O-N 2.86Å; F676-G679 PolarHBondContact O-N 2.83Å; V677-G679 VanDerWaalsContact C-N 3.34Å; V677-G679 PolarHBondContact O-N 2.93Å; G679-S683 VanDerWaalsContact O-CB 3.26Å; G679-S683 WeakPolarHBondContact O-CB 3.5Å; G679-S683 PolarHBondContact O-N 3.17Å; G679-S683 PolarHBondContact O-OG 3.37Å
680	A	87.3	Confident	86	Confident	51 Å²	51	87.6 Å²	87.6	42%	0.421	51%	0.507	S	S	.	.	H	α-helix	trans	-66.5	-40.2	175.2	0	0	0	0	0	112	F676 V677 S683 G684	F676-A680 WeakPolarHBondContact O-CB 3.42Å; F676-A680 PolarHBondContact O-N 3.2Å; V677-A680 PolarHBondContact O-N 3.19Å; A680-S683 WeakPolarHBondContact CA-OG 3.06Å; A680-S683 PolarHBondContact O-OG 3.25Å; A680-G684 PolarHBondContact O-N 3Å
681	V	88.9	Confident	85.8	Confident	76 Å²	76	86.4 Å²	86.4	46%	0.461	51%	0.506	S	S	.	.	H	α-helix	trans	-66.6	-49	174.5	171.4	0	0	0	0	111.2	V677 M678 G684 I685	V677-V681 WeakPolarHBondContact O-CG2 3.47Å; V677-V681 PolarHBondContact O-N 2.79Å; M678-V681 PolarHBondContact O-N 2.98Å; V681-G684 PolarHBondContact O-N 3.18Å; V681-I685 HydrophobicContact CG1-CD1 3.76Å; V681-I685 WeakPolarHBondContact O-CB 3.45Å; V681-I685 VanDerWaalsContact O-CG1 3.29Å; V681-I685 WeakPolarHBondContact O-CG1 3.45Å; V681-I685 PolarHBondContact O-N 3.01Å
682	F	85.9	Confident	85.7	Confident	129 Å²	129	86.1 Å²	86.1	57%	0.566	50%	0.497	S	S	*	.	H	α-helix	trans	-65.8	-39.3	179.3	-84.9	-64.5	0	0	0	113	M678 T686	M678-F682 HydrophobicContact CE-CE2 4.01Å; M678-F682 WeakPolarHBondContact O-CB 3.25Å; M678-F682 VanDerWaalsContact O-CD2 3.27Å; M678-F682 WeakPolarHBondContact O-CD2 3.47Å; M678-F682 PolarHBondContact O-N 3.29Å; F682-T686 VanDerWaalsContact O-CB 3.32Å; F682-T686 WeakPolarHBondContact O-CB 3.44Å; F682-T686 PolarHBondContact O-N 2.87Å; F682-T686 PolarHBondContact O-OG1 2.92Å
683	S	86.4	Confident	85.1	Confident	65 Å²	65	87.3 Å²	87.3	46%	0.455	50%	0.497	S	S	.	.	H	α-helix	trans	-69.2	-39.9	174.1	57.1	0	0	0	0	111.9	G679 A680 T686 V687	G679-S683 VanDerWaalsContact O-CB 3.26Å; G679-S683 WeakPolarHBondContact O-CB 3.5Å; G679-S683 PolarHBondContact O-N 3.17Å; G679-S683 PolarHBondContact O-OG 3.37Å; A680-S683 WeakPolarHBondContact CA-OG 3.06Å; A680-S683 PolarHBondContact O-OG 3.25Å; S683-T686 PolarHBondContact O-N 2.72Å; S683-V687 WeakPolarHBondContact O-CB 3.36Å; S683-V687 WeakPolarHBondContact O-CG2 3.34Å; S683-V687 PolarHBondContact O-N 3.15Å
684	G	87.3	Confident	84.4	Confident	40 Å²	40	91.2 Å²	91.2	41%	0.412	51%	0.505	S	S	.	.	H	α-helix	trans	-58.5	-46.7	172.6	0	0	0	0	0	112.9	A680 V681 Y688	A680-G684 PolarHBondContact O-N 3Å; V681-G684 PolarHBondContact O-N 3.18Å; G684-Y688 VanDerWaalsContact O-CB 3.29Å; G684-Y688 WeakPolarHBondContact O-CB 3.42Å; G684-Y688 PolarHBondContact O-N 3.34Å
685	I	87.7	Confident	83.6	Confident	90 Å²	90	95.7 Å²	95.7	46%	0.462	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-43.7	174.4	-68.4	166.4	0	0	0	110.8	V681 Y688 C689	V681-I685 HydrophobicContact CG1-CD1 3.76Å; V681-I685 WeakPolarHBondContact O-CB 3.45Å; V681-I685 VanDerWaalsContact O-CG1 3.29Å; V681-I685 WeakPolarHBondContact O-CG1 3.45Å; V681-I685 PolarHBondContact O-N 3.01Å; I685-Y688 PolarHBondContact O-N 3.14Å; I685-C689 WeakPolarHBondContact O-CB 3.31Å; I685-C689 PolarHBondContact O-N 2.75Å; I685-C689 PolarHBondContact O-SG 3.11Å
686	T	84.3	Confident	82.9	Confident	83 Å²	83	98.2 Å²	98.2	51%	0.509	51%	0.513	S	S	.	.	H	α-helix	trans	-63.8	-44.4	179.7	-57	0	0	0	0	111.5	F682 S683 C689 V690	F682-T686 VanDerWaalsContact O-CB 3.32Å; F682-T686 WeakPolarHBondContact O-CB 3.44Å; F682-T686 PolarHBondContact O-N 2.87Å; F682-T686 PolarHBondContact O-OG1 2.92Å; S683-T686 PolarHBondContact O-N 2.72Å; T686-C689 PolarHBondContact O-N 3.05Å; T686-V690 WeakPolarHBondContact O-CB 3.25Å; T686-V690 VanDerWaalsContact O-CG2 3.31Å; T686-V690 WeakPolarHBondContact O-CG2 3.17Å; T686-V690 PolarHBondContact O-N 2.82Å
687	V	86.8	Confident	81.7	Confident	92 Å²	92	93.9 Å²	93.9	56%	0.558	50%	0.498	S	S	*	.	H	α-helix	trans	-65.2	-41.1	175.2	170.7	0	0	0	0	110.9	S683 V690 C691	S683-V687 WeakPolarHBondContact O-CB 3.36Å; S683-V687 WeakPolarHBondContact O-CG2 3.34Å; S683-V687 PolarHBondContact O-N 3.15Å; V687-V690 PolarHBondContact O-N 2.7Å; V687-C691 VanDerWaalsContact O-CB 3.23Å; V687-C691 WeakPolarHBondContact O-CB 3.46Å; V687-C691 PolarHBondContact O-N 2.97Å; V687-C691 PolarHBondContact O-SG 3.36Å
688	Y	85.2	Confident	80.5	Confident	165 Å²	165	94.5 Å²	94.5	65%	0.647	50%	0.501	S	S	*	.	H	α-helix	trans	-59.3	-50	174.3	-179.9	-94.6	0	0	0	111.3	G684 I685 V690 C691 D692	G684-Y688 VanDerWaalsContact O-CB 3.29Å; G684-Y688 WeakPolarHBondContact O-CB 3.42Å; G684-Y688 PolarHBondContact O-N 3.34Å; I685-Y688 PolarHBondContact O-N 3.14Å; Y688-V690 PolarHBondContact O-N 2.59Å; Y688-C691 PolarHBondContact O-N 2.72Å; Y688-D692 VanDerWaalsContact O-CB 3.26Å; Y688-D692 WeakPolarHBondContact O-CB 3.44Å; Y688-D692 PolarHBondContact O-N 3.31Å
689	C	81.4	Confident	79.3	Confident	70 Å²	70	92 Å²	92	47%	0.473	50%	0.497	S	S	.	.	H	α-helix	trans	-62.3	-40	177.9	-69.7	0	0	0	0	112.8	I685 T686 H693	I685-C689 WeakPolarHBondContact O-CB 3.31Å; I685-C689 PolarHBondContact O-N 2.75Å; I685-C689 PolarHBondContact O-SG 3.11Å; T686-C689 PolarHBondContact O-N 3.05Å; C689-H693 VanDerWaalsContact O-CB 3.27Å; C689-H693 WeakPolarHBondContact O-CB 3.44Å; C689-H693 PolarHBondContact O-N 3.43Å
690	V	79.9	Confident	78.1	Confident	84 Å²	84	94.5 Å²	94.5	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-70	-38.7	176.9	169.8	0	0	0	0	111.8	T686 V687 Y688 R694	T686-V690 WeakPolarHBondContact O-CB 3.25Å; T686-V690 VanDerWaalsContact O-CG2 3.31Å; T686-V690 WeakPolarHBondContact O-CG2 3.17Å; T686-V690 PolarHBondContact O-N 2.82Å; V687-V690 PolarHBondContact O-N 2.7Å; Y688-V690 PolarHBondContact O-N 2.59Å; V690-R694 WeakPolarHBondContact O-CB 3.26Å; V690-R694 PolarHBondContact O-N 3.08Å
691	C	78.4	Confident	76.8	Confident	69 Å²	69	96.7 Å²	96.7	47%	0.466	51%	0.513	S	S	.	.	H	α-helix	trans	-69.6	-38	175.4	-76.1	0	0	0	0	112.4	V687 Y688 R695	V687-C691 VanDerWaalsContact O-CB 3.23Å; V687-C691 WeakPolarHBondContact O-CB 3.46Å; V687-C691 PolarHBondContact O-N 2.97Å; V687-C691 PolarHBondContact O-SG 3.36Å; Y688-C691 PolarHBondContact O-N 2.72Å; C691-R695 WeakPolarHBondContact O-CB 3.45Å; C691-R695 WeakPolarHBondContact O-CG 3.4Å; C691-R695 PolarHBondContact O-N 3.06Å
692	D	76.4	Confident	75.1	Confident	48 Å²	48	98.1 Å²	98.1	26%	0.257	51%	0.514	S	S	.	.	H	α-helix	trans	-70.4	-40.9	174.5	178.9	55.3	0	0	0	111.6	Y688 R694 R695 K696	Y688-D692 VanDerWaalsContact O-CB 3.26Å; Y688-D692 WeakPolarHBondContact O-CB 3.44Å; Y688-D692 PolarHBondContact O-N 3.31Å; D692-R694 PolarHBondContact O-N 3.08Å; D692-R695 PolarHBondContact O-N 3.19Å; D692-K696 WeakPolarHBondContact O-CB 3.02Å; D692-K696 WeakPolarHBondContact O-CG 3.4Å; D692-K696 PolarHBondContact O-N 3.05Å; D692-K696 WeakPolarHBondContact OD1-CE 3.38Å; D692-K696 IonicContact OD1-NZ 2.64Å; D692-K696 WeakPolarHBondContact OD2-CE 3.4Å; D692-K696 IonicContact OD2-NZ 3.31Å; D692-K696 PolarHBondContact OD2-NZ 2.04Å
693	H	74.5	Confident	73.5	Confident	115 Å²	115	100.8 Å²	100.8	53%	0.532	52%	0.521	S	S	.	.	H	α-helix	trans	-58.8	-48.9	171.4	-160.1	-60.1	0	0	0	110.6	C689 R695 K696 D697	C689-H693 VanDerWaalsContact O-CB 3.27Å; C689-H693 WeakPolarHBondContact O-CB 3.44Å; C689-H693 PolarHBondContact O-N 3.43Å; H693-R695 VanDerWaalsContact C-N 3.33Å; H693-R695 PolarHBondContact O-N 3.03Å; H693-K696 CarbonylContact O-C 3.42Å; H693-K696 WeakPolarHBondContact O-CA 3.45Å; H693-K696 WeakPolarHBondContact O-CB 3.02Å; H693-K696 PolarHBondContact O-N 3.28Å; H693-D697 IonicContact CE1-OD1 3.28Å; H693-D697 PolarHBondContact CE1-OD1 2.78Å; H693-D697 VanDerWaalsContact CE1-OD1 3.3Å; H693-D697 IonicContact CE1-OD2 2.68Å; H693-D697 IonicContact CG-OD2 3.31Å; H693-D697 IonicContact ND1-OD1 3.91Å; H693-D697 PolarHBondContact ND1-OD1 3.38Å; H693-D697 IonicContact ND1-OD2 3.3Å; H693-D697 PolarHBondContact ND1-OD2 3.26Å; H693-D697 VanDerWaalsContact O-CG 3.22Å; H693-D697 PolarHBondContact O-N 3.41Å
694	R	70.6	Confident	71.7	Confident	187 Å²	187	105.2 Å²	105.2	71%	0.706	53%	0.532	S	S	*	.	H	α-helix	trans	-62.1	-35.6	175.3	-87.2	-171.8	154	-165	-6.8	113.7	V690 D692 V698	V690-R694 WeakPolarHBondContact O-CB 3.26Å; V690-R694 PolarHBondContact O-N 3.08Å; D692-R694 PolarHBondContact O-N 3.08Å; R694-V698 VanDerWaalsContact O-CG2 3.32Å; R694-V698 WeakPolarHBondContact O-CG2 3.3Å; R694-V698 PolarHBondContact O-N 2.85Å
695	R	70.3	Confident	69.8	Low	197 Å²	197	110.1 Å²	110.1	74%	0.743	54%	0.544	S	S	*	.	H	α-helix	trans	-64.7	-40.4	171.9	-80.1	177.5	174.5	-161.5	-1	111.4	C691 D692 H693 A699	C691-R695 WeakPolarHBondContact O-CB 3.45Å; C691-R695 WeakPolarHBondContact O-CG 3.4Å; C691-R695 PolarHBondContact O-N 3.06Å; D692-R695 PolarHBondContact O-N 3.19Å; H693-R695 VanDerWaalsContact C-N 3.33Å; H693-R695 PolarHBondContact O-N 3.03Å; R695-A699 VanDerWaalsContact O-CB 3.27Å; R695-A699 WeakPolarHBondContact O-CB 3.31Å; R695-A699 PolarHBondContact O-N 3.35Å
696	K	71.8	Confident	67.8	Low	118 Å²	118	112.7 Å²	112.7	51%	0.513	55%	0.552	S	S	.	*	H	α-helix	trans	-67.5	-42.3	175.9	-74.2	166.2	176.9	170.3	0	111.7	D692 H693 A699 V700	D692-K696 WeakPolarHBondContact O-CB 3.02Å; D692-K696 WeakPolarHBondContact O-CG 3.4Å; D692-K696 PolarHBondContact O-N 3.05Å; D692-K696 WeakPolarHBondContact OD1-CE 3.38Å; D692-K696 IonicContact OD1-NZ 2.64Å; D692-K696 WeakPolarHBondContact OD2-CE 3.4Å; D692-K696 IonicContact OD2-NZ 3.31Å; D692-K696 PolarHBondContact OD2-NZ 2.04Å; H693-K696 CarbonylContact O-C 3.42Å; H693-K696 WeakPolarHBondContact O-CA 3.45Å; H693-K696 WeakPolarHBondContact O-CB 3.02Å; H693-K696 PolarHBondContact O-N 3.28Å; K696-A699 CarbonylContact O-C 3.54Å; K696-A699 PolarHBondContact O-N 2.7Å; K696-V700 WeakPolarHBondContact O-CB 3.22Å; K696-V700 VanDerWaalsContact O-CG2 3.24Å; K696-V700 WeakPolarHBondContact O-CG2 3.32Å; K696-V700 PolarHBondContact O-N 3.01Å
697	D	66.2	Low	65.7	Low	74 Å²	74	116.2 Å²	116.2	40%	0.396	56%	0.563	S	S	.	*	H	α-helix	trans	-59.2	-48.9	174.6	-63.8	-42.8	0	0	0	111.2	H693 A699 V700 V701	H693-D697 IonicContact CE1-OD1 3.28Å; H693-D697 PolarHBondContact CE1-OD1 2.78Å; H693-D697 VanDerWaalsContact CE1-OD1 3.3Å; H693-D697 IonicContact CE1-OD2 2.68Å; H693-D697 IonicContact CG-OD2 3.31Å; H693-D697 IonicContact ND1-OD1 3.91Å; H693-D697 PolarHBondContact ND1-OD1 3.38Å; H693-D697 IonicContact ND1-OD2 3.3Å; H693-D697 PolarHBondContact ND1-OD2 3.26Å; H693-D697 VanDerWaalsContact O-CG 3.22Å; H693-D697 PolarHBondContact O-N 3.41Å; D697-A699 VanDerWaalsContact C-N 3.35Å; D697-A699 PolarHBondContact O-N 3.49Å; D697-V700 PolarHBondContact O-N 3.14Å; D697-V701 WeakPolarHBondContact O-CG2 3.41Å; D697-V701 PolarHBondContact O-N 3.16Å
698	V	64.6	Low	63.8	Low	91 Å²	91	119.1 Å²	119.1	55%	0.552	57%	0.574	S	S	*	*	H	α-helix	trans	-62.7	-40.2	176.5	171.9	0	0	0	0	111.6	R694 V701 Q702	R694-V698 VanDerWaalsContact O-CG2 3.32Å; R694-V698 WeakPolarHBondContact O-CG2 3.3Å; R694-V698 PolarHBondContact O-N 2.85Å; V698-V701 PolarHBondContact O-N 3.36Å; V698-Q702 PolarHBondContact O-N 2.92Å
699	A	63.2	Low	61.7	Low	50 Å²	50	116.3 Å²	116.3	41%	0.413	57%	0.574	S	S	.	*	H	α-helix	trans	-69.5	-31.5	176	0	0	0	0	0	113.2	R695 K696 D697 R703	R695-A699 VanDerWaalsContact O-CB 3.27Å; R695-A699 WeakPolarHBondContact O-CB 3.31Å; R695-A699 PolarHBondContact O-N 3.35Å; K696-A699 CarbonylContact O-C 3.54Å; K696-A699 PolarHBondContact O-N 2.7Å; D697-A699 VanDerWaalsContact C-N 3.35Å; D697-A699 PolarHBondContact O-N 3.49Å; A699-R703 WeakPolarHBondContact O-CB 3.44Å; A699-R703 WeakPolarHBondContact O-CG 3.31Å; A699-R703 PolarHBondContact O-N 3.2Å
700	V	63.9	Low	59.6	Low	90 Å²	90	121 Å²	121	55%	0.545	59%	0.588	S	S	.	*	H	α-helix	trans	-72.1	-41.5	174.5	165.6	0	0	0	0	110.6	K696 D697 R703 K704	K696-V700 WeakPolarHBondContact O-CB 3.22Å; K696-V700 VanDerWaalsContact O-CG2 3.24Å; K696-V700 WeakPolarHBondContact O-CG2 3.32Å; K696-V700 PolarHBondContact O-N 3.01Å; D697-V700 PolarHBondContact O-N 3.14Å; V700-R703 PolarHBondContact O-N 2.86Å; V700-K704 WeakPolarHBondContact O-CB 3.33Å; V700-K704 PolarHBondContact O-N 2.84Å
701	V	58.7	Low	57.5	Low	98 Å²	98	122.6 Å²	122.6	59%	0.594	60%	0.604	S	S	*	*	H	α-helix	trans	-59.6	-48.3	171.5	172	0	0	0	0	110.5	D697 V698 R703 K704 E705	D697-V701 WeakPolarHBondContact O-CG2 3.41Å; D697-V701 PolarHBondContact O-N 3.16Å; V698-V701 PolarHBondContact O-N 3.36Å; V701-R703 VanDerWaalsContact C-N 3.29Å; V701-R703 PolarHBondContact O-N 3.05Å; V701-K704 PolarHBondContact O-N 3.26Å; V701-E705 PolarHBondContact O-N 3.05Å; V701-E705 VanDerWaalsContact O-N 3.1Å
702	Q	53.8	Low	55.5	Low	106 Å²	106	130.2 Å²	130.2	50%	0.495	62%	0.623	S	S	.	*	H	α-helix	trans	-65.7	-24	176	-76	-167.8	-13	0	0	114.6	V698 K706	V698-Q702 PolarHBondContact O-N 2.92Å; Q702-K706 WeakPolarHBondContact O-CD 3.49Å; Q702-K706 WeakPolarHBondContact O-CG 3.43Å
703	R	52.2	Low	53.3	Low	184 Å²	184	139.5 Å²	139.5	69%	0.694	65%	0.654	S	S	*	*	H	α-helix	trans	-75.3	-45.6	170.3	-86.4	-176.5	171.4	171.1	-1.9	111.6	A699 V700 V701 E705 K706 E707	A699-R703 WeakPolarHBondContact O-CB 3.44Å; A699-R703 WeakPolarHBondContact O-CG 3.31Å; A699-R703 PolarHBondContact O-N 3.2Å; V700-R703 PolarHBondContact O-N 2.86Å; V701-R703 VanDerWaalsContact C-N 3.29Å; V701-R703 PolarHBondContact O-N 3.05Å; R703-E705 PolarHBondContact O-N 3.39Å; R703-K706 CarbonylContact O-C 3.5Å; R703-K706 WeakPolarHBondContact O-CA 3.44Å; R703-K706 PolarHBondContact O-N 3.35Å; R703-E707 PolarHBondContact O-N 3.22Å
704	K	49	Very low	51.2	Low	159 Å²	159	137.1 Å²	137.1	69%	0.691	66%	0.66	S	S	*	*	H	α-helix	trans	-61.9	-30.1	-179.1	-155.8	172	-171.6	177.9	0	112.7	V700 V701	V700-K704 WeakPolarHBondContact O-CB 3.33Å; V700-K704 PolarHBondContact O-N 2.84Å; V701-K704 PolarHBondContact O-N 3.26Å
705	E	47.6	Very low	49.4	Very low	142 Å²	142	133.4 Å²	133.4	66%	0.664	66%	0.664	S	S	*	*	H	α-helix	trans	-75.8	-28.1	172.4	-165.7	169.7	-132.5	0	0	113.2	V701 R703	V701-E705 PolarHBondContact O-N 3.05Å; V701-E705 VanDerWaalsContact O-N 3.1Å; R703-E705 PolarHBondContact O-N 3.39Å
706	K	45.1	Very low	47.7	Very low	144 Å²	144	131.9 Å²	131.9	63%	0.626	67%	0.667	S	S	*	*	H	α-helix	trans	-89.8	-24	179.7	-75	176.6	178.4	173.6	0	114.6	Q702 R703 L708 T709	Q702-K706 WeakPolarHBondContact O-CD 3.49Å; Q702-K706 WeakPolarHBondContact O-CG 3.43Å; R703-K706 CarbonylContact O-C 3.5Å; R703-K706 WeakPolarHBondContact O-CA 3.44Å; R703-K706 PolarHBondContact O-N 3.35Å; K706-L708 VanDerWaalsContact C-N 3.29Å; K706-L708 PolarHBondContact O-N 2.9Å; K706-T709 PolarHBondContact O-OG1 3.48Å
707	E	41.3	Very low	45.7	Very low	158 Å²	158	130.6 Å²	130.6	74%	0.738	67%	0.672	S	S	*	*	H	α-helix	trans	-70.7	-23.4	176.8	-76.2	-179.1	122.5	0	0	113.1	R703 T709	R703-E707 PolarHBondContact O-N 3.22Å; E707-T709 VanDerWaalsContact C-N 3.3Å; E707-T709 PolarHBondContact O-N 2.85Å
708	L	44.9	Very low	44.2	Very low	153 Å²	153	132.5 Å²	132.5	80%	0.801	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-7.6	-179.4	-91.5	163.3	0	0	0	115.3	K706	K706-L708 VanDerWaalsContact C-N 3.29Å; K706-L708 PolarHBondContact O-N 2.9Å
709	T	42.9	Very low	42.6	Very low	105 Å²	105	134.2 Å²	134.2	64%	0.644	70%	0.702	S	S	*	*	S	Bend	trans	-125.2	1.3	-166.9	46.4	0	0	0	0	116.5	K706 E707	K706-T709 PolarHBondContact O-OG1 3.48Å; E707-T709 VanDerWaalsContact C-N 3.3Å; E707-T709 PolarHBondContact O-N 2.85Å
710	H	37.3	Very low	41.2	Very low	168 Å²	168	137.4 Å²	137.4	78%	0.778	72%	0.716	S	S	*	*			trans	-139.4	48.6	-176.4	-114.7	54.2	0	0	0	117.3
711	S	34.6	Very low	39.6	Very low	118 Å²	118	141.9 Å²	141.9	83%	0.825	73%	0.728	S	S	*	*			trans	-97	74.1	160.4	-169.8	0	0	0	0	111.8
712	R	36.6	Very low	38.3	Very low	230 Å²	230	143.9 Å²	143.9	87%	0.868	74%	0.735	S	S	*	*	S	Bend	trans	-177.1	146	154.4	-107.9	162.8	-172.9	-160.2	1	113.9
713	R	30.3	Very low	37	Very low	242 Å²	242	144.2 Å²	144.2	91%	0.913	75%	0.749	S	S	*	*			trans	64.7	120.6	163	-175.5	177.6	-82.5	-179.8	-6.8	116.7
714	G	30.9	Very low	35.9	Very low	65 Å²	65	138.3 Å²	138.3	67%	0.67	75%	0.746	S	S	*	*			trans	-112.8	-157.5	158.3	0	0	0	0	0	111.7
715	S	33.1	Very low	35.2	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	75%	0.749	S	S	*	*			trans	89.5	119.4	173.9	-150	0	0	0	0	118.1
716	M	33.1	Very low	34.4	Very low	165 Å²	165	140.2 Å²	140.2	81%	0.813	76%	0.758	S	S	*	*			trans	68.6	125.2	145.7	-69.8	179	71	0	0	123.7
717	S	29.5	Very low	33.6	Very low	90 Å²	90	136.1 Å²	136.1	63%	0.629	76%	0.757	S	S	*	*			trans	67.7	112.1	132	67.7	0	0	0	0	123.3
718	S	35.2	Very low	33	Very low	114 Å²	114	135.8 Å²	135.8	80%	0.797	76%	0.76	S	S	*	*				79.8	161.8	123.2	-56.3	0	0	0	0	122.2
719	V	32.3	Very low	32.3	Very low	128 Å²	128	134.1 Å²	134.1	78%	0.776	76%	0.756	S	S	*	*			trans	89.4	92.3	160.7	-163.5	0	0	0	0	119.7
720	T	33.6	Very low	31.7	Very low	116 Å²	116	138 Å²	138	71%	0.712	77%	0.767	S	S	*	*				38.7	131.5	116.6	-39.1	0	0	0	0	123.2
721	K	28.8	Very low	31.4	Very low	184 Å²	184	134.9 Å²	134.9	80%	0.8	77%	0.765	S	S	*	*			trans	68.3	150.8	159.5	-86.3	176.7	175.1	179.8	0	116
722	L	32.7	Very low	31.1	Very low	140 Å²	140	139 Å²	139	73%	0.733	77%	0.768	S	S	*	*			cis	-159	171.2	19.1	-120	157.1	0	0	0	109.7
723	S	27	Very low	30.8	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	77%	0.766	S	S	*	*			trans	33.6	143.9	157	-57.6	0	0	0	0	122.3
724	G	27.5	Very low	31.7	Very low	60 Å²	60	129.2 Å²	129.2	62%	0.619	76%	0.757	S	S	*	*			cis	166.4	-142.6	7.8	0	0	0	0	0	110.6
725	L	34.5	Very low	31.6	Very low	147 Å²	147	135.8 Å²	135.8	77%	0.77	77%	0.767	S	S	*	*			trans	73.1	134.7	178.9	-61.2	77.9	0	0	0	116.1
726	F	32	Very low	32.1	Very low	194 Å²	194	135.5 Å²	135.5	85%	0.851	76%	0.762	S	S	*	*			cis	-155.3	164.3	-19.7	-108.2	-34.5	0	0	0	110.6
727	G	27.5	Very low	31.7	Very low	58 Å²	58	136 Å²	136	60%	0.598	76%	0.763	S	S	*	*			trans	-134.6	-168.9	168.8	0	0	0	0	0	111.8
728	D	29.1	Very low	31.8	Very low	152 Å²	152	136.2 Å²	136.2	81%	0.813	77%	0.77	S	S	*	*			trans	78.4	88.3	161.4	-56.3	-26	0	0	0	121
729	T	30.5	Very low	31.6	Very low	117 Å²	117	137.8 Å²	137.8	72%	0.718	77%	0.768	S	S	*	*				58.4	137.8	117.1	58.9	0	0	0	0	124.2
730	Q	29.2	Very low	31.5	Very low	187 Å²	187	139.2 Å²	139.2	87%	0.874	77%	0.77	S	S	*	*			trans	65.7	137.8	150.2	-71.6	-175.3	17.8	0	0	117.9
731	S	30.8	Very low	31.4	Very low	103 Å²	103	139.6 Å²	139.6	72%	0.72	77%	0.772	S	S	*	*			cis	-165.5	144.2	25.5	41.6	0	0	0	0	113.2
732	K	27.9	Very low	32.2	Very low	204 Å²	204	136.1 Å²	136.1	89%	0.887	77%	0.769	S	S	*	*			trans	169.2	122.2	133.3	-99.2	179.1	176.6	178.8	0	113.5
733	D	31.7	Very low	32	Very low	157 Å²	157	137.6 Å²	137.6	84%	0.84	78%	0.777	S	S	*	*			trans	-94.3	179.4	160.6	-84.7	-64.5	0	0	0	110.2
734	P	48.7	Very low	32.2	Very low	110 Å²	110	139.6 Å²	139.6	71%	0.714	78%	0.775	S	S	*	*			cis	-134.3	165.6	2.6	39.7	-23.8	0	0	0	116.6
735	K	28.1	Very low	32.4	Very low	202 Å²	202	144.3 Å²	144.3	88%	0.878	78%	0.781	S	S	*	*				169.2	163.9	127.9	-93.9	-168.1	171.6	-175.9	0	112.5
736	P	44.2	Very low	32.2	Very low	104 Å²	104	144.5 Å²	144.5	68%	0.675	78%	0.783	S	S	*	*			trans	-124.2	-173.3	-138.8	46.7	-37.1	0	0	0	116.9
737	E	25.7	Very low	32	Very low	177 Å²	177	139.2 Å²	139.2	83%	0.827	78%	0.783	S	S	*	*			trans	68.1	90.2	153.4	-75.5	172.3	-179.7	0	0	120.8
738	A	31.5	Very low	32.2	Very low	94 Å²	94	146.2 Å²	146.2	78%	0.777	80%	0.797	S	S	*	*			trans	-159.9	128.2	132.1	0	0	0	0	0	107.4
739	I	29.5	Very low	32.4	Very low	146 Å²	146	147 Å²	147	75%	0.749	80%	0.801	S	S	*	*			cis	75.5	109.9	42.3	-56.4	-179.3	0	0	0	113.2
740	L	29.9	Very low	32.4	Very low	159 Å²	159	145.3 Å²	145.3	83%	0.832	80%	0.798	S	S	*	*			trans	62.2	111.4	159.5	-72.6	167.1	0	0	0	120.5
741	T	32	Very low	32.6	Very low	123 Å²	123	142.5 Å²	142.5	76%	0.755	79%	0.794	S	S	*	*			trans	-61.6	174	139	52.1	0	0	0	0	111.2
742	P	46.8	Very low	33.6	Very low	112 Å²	112	143.7 Å²	143.7	73%	0.727	80%	0.799	S	S	*	*			cis	-128.9	-175.6	-0.6	41.2	-26.1	0	0	0	113.5
743	L	27.4	Very low	33.8	Very low	171 Å²	171	137.2 Å²	137.2	90%	0.895	79%	0.791	S	S	*	*				-169.1	138.7	127.9	-105.9	164.6	0	0	0	111.4
744	M	31.8	Very low	33.8	Very low	155 Å²	155	137.2 Å²	137.2	76%	0.764	79%	0.79	S	S	*	*			trans	-105.5	136.1	165.4	-63.7	-164.6	-59.7	0	0	109.3
745	H	30.8	Very low	33	Very low	158 Å²	158	138.1 Å²	138.1	73%	0.731	79%	0.794	S	S	*	*				-173.1	166.8	108.7	-115.2	71.4	0	0	0	114.6
746	N	30.9	Very low	33.2	Very low	151 Å²	151	132.5 Å²	132.5	81%	0.807	79%	0.785	S	S	*	*			trans	-57.4	135.5	166	-69.3	-50.7	0	0	0	111.8
747	G	27.4	Very low	32.6	Very low	84 Å²	84	136.6 Å²	136.6	87%	0.866	79%	0.792	S	S	*	*			trans	-90.2	117	161.8	0	0	0	0	0	111.4
748	K	32.1	Very low	32.7	Very low	205 Å²	205	136.4 Å²	136.4	89%	0.891	79%	0.794	S	S	*	*			trans	-136	141.7	153.6	-159.6	173.7	-176.9	-178.3	0	108.8
749	L	32.6	Very low	32.4	Very low	169 Å²	169	139.3 Å²	139.3	89%	0.885	80%	0.795	S	S	*	*			trans	-38.8	136.6	-162.8	-107.2	62.5	0	0	0	117.6
750	A	31.2	Very low	32.6	Very low	80 Å²	80	139.2 Å²	139.2	66%	0.661	80%	0.795	S	S	*	*			trans	-69.4	164.4	151	0	0	0	0	0	109.7
751	T	33.8	Very low	32.4	Very low	128 Å²	128	141 Å²	141	79%	0.785	80%	0.796	S	S	*	*				-171.3	167.8	67.8	40.9	0	0	0	0	111.2
752	P	50.8	Low	32.2	Very low	128 Å²	128	139.7 Å²	139.7	83%	0.831	80%	0.797	S	S	*	*			cis	-137.3	172.6	-28.9	36.7	-19.7	0	0	0	114.5
753	G	31.9	Very low	31.3	Very low	69 Å²	69	142 Å²	142	71%	0.711	80%	0.804	S	S	*	*			trans	129.5	110.2	148.7	0	0	0	0	0	119.1
754	N	32.6	Very low	31.5	Very low	156 Å²	156	141.9 Å²	141.9	83%	0.834	80%	0.798	S	S	*	*			trans	36.1	144.3	137.3	-62.2	-5.9	0	0	0	121.6
755	T	32.9	Very low	31.3	Very low	130 Å²	130	143.4 Å²	143.4	80%	0.798	80%	0.803	S	S	*	*			cis	-161.4	150.3	21.7	-14.8	0	0	0	0	114.5
756	A	31.2	Very low	31.3	Very low	83 Å²	83	143.9 Å²	143.9	69%	0.686	81%	0.805	S	S	*	*			trans	52	113.2	143.5	0	0	0	0	0	125.4
757	K	32.2	Very low	31.2	Very low	190 Å²	190	144.3 Å²	144.3	83%	0.826	81%	0.807	S	S	*	*				55.6	124	124.4	-64.4	-177	176.4	-178.9	0	123.6
758	M	28.1	Very low	31.3	Very low	173 Å²	173	146 Å²	146	85%	0.852	80%	0.796	S	S	*	*			trans	53	146.1	132.1	-64.6	-179.7	164.3	0	0	120.2
759	L	25.3	Very low	31.3	Very low	155 Å²	155	143.4 Å²	143.4	81%	0.812	79%	0.791	S	S	*	*			cis	-156.5	-166.1	47.1	-136.7	125.4	0	0	0	113.8
760	I	32.2	Very low	31.2	Very low	144 Å²	144	141.6 Å²	141.6	74%	0.738	79%	0.787	S	S	*	*			trans	-105	148.7	-154.4	-35.3	167	0	0	0	113.8
761	K	26.4	Very low	31.1	Very low	198 Å²	198	142.6 Å²	142.6	86%	0.861	80%	0.795	S	S	*	*				117.9	142.4	125.5	-149.8	176.1	-178.1	-177.5	0	119.8
762	A	27.3	Very low	31.2	Very low	94 Å²	94	144.5 Å²	144.5	78%	0.777	80%	0.8	S	S	*	*			trans	90.1	141.9	155.9	0	0	0	0	0	119.7
763	D	29	Very low	31.2	Very low	161 Å²	161	144 Å²	144	86%	0.861	80%	0.797	S	S	*	*			trans	-74.8	156.8	179.1	-66.7	-81.6	0	0	0	113.7
764	Q	30.6	Very low	31.5	Very low	169 Å²	169	146.8 Å²	146.8	79%	0.79	80%	0.8	S	S	*	*				168.5	122.9	97.1	-173.5	157.7	32	0	0	113
765	H	29	Very low	32.8	Very low	187 Å²	187	144.5 Å²	144.5	87%	0.866	79%	0.794	S	S	*	*			trans	158.1	148.7	140.9	-90.4	-71.9	0	0	0	110.7
766	H	29.8	Very low	32.7	Very low	167 Å²	167	146.7 Å²	146.7	77%	0.773	80%	0.795	S	S	*	*			trans	-147	105.5	-159	-175.7	-66.6	0	0	0	112.8
767	L	29.9	Very low	32.6	Very low	161 Å²	161	148.2 Å²	148.2	84%	0.843	80%	0.8	S	S	*	*			trans	-171.1	144.1	168.5	-88.7	125.7	0	0	0	107.6
768	D	29.3	Very low	32.7	Very low	120 Å²	120	145.6 Å²	145.6	64%	0.642	80%	0.801	S	S	*	*			cis	-160.1	164.2	-22.9	-144.1	-7	0	0	0	112.1
769	L	30.3	Very low	34.1	Very low	149 Å²	149	142.5 Å²	142.5	78%	0.78	79%	0.794	S	S	*	*			trans	49.6	108.4	164.2	-97.5	67.3	0	0	0	122.9
770	T	30.5	Very low	34.1	Very low	132 Å²	132	141.9 Å²	141.9	81%	0.81	80%	0.796	S	S	*	*			trans	-55.4	155.8	142.9	43.5	0	0	0	0	113.1
771	A	31	Very low	33.9	Very low	100 Å²	100	142.8 Å²	142.8	83%	0.826	80%	0.802	S	S	*	*			cis	106.8	166.7	33.8	0	0	0	0	0	114.4
772	L	35	Very low	34	Very low	168 Å²	168	140.6 Å²	140.6	88%	0.88	80%	0.795	S	S	*	*			trans	-73	-179	-174.4	-67.7	166.6	0	0	0	112.8
773	P	50.4	Low	34.1	Very low	119 Å²	119	142.4 Å²	142.4	77%	0.773	79%	0.787	S	S	*	*			cis	-148.8	-146.8	22.5	45.4	-21.3	0	0	0	117.4
774	T	38.9	Very low	34	Very low	126 Å²	126	142 Å²	142	77%	0.773	78%	0.777	S	S	*	*			trans	-106.2	-163.7	-175.1	60	0	0	0	0	111.7
775	P	59.5	Low	33.8	Very low	108 Å²	108	144.1 Å²	144.1	70%	0.701	78%	0.778	S	S	*	*			cis	-140.4	-167.3	-9.8	43.9	-24.3	0	0	0	116.8
776	E	31	Very low	34	Very low	176 Å²	176	144.6 Å²	144.6	82%	0.822	78%	0.778	S	S	*	*			trans	78.6	138.5	149	-72.2	-85.4	107.7	0	0	125
777	S	28.8	Very low	34.4	Very low	115 Å²	115	142.5 Å²	142.5	80%	0.804	78%	0.779	S	S	*	*			trans	82.2	156.7	155.1	76.7	0	0	0	0	123.1
778	T	35.5	Very low	34.2	Very low	136 Å²	136	140.1 Å²	140.1	83%	0.834	78%	0.776	S	S	*	*			trans	-132.6	-179.2	-171.9	19.4	0	0	0	0	110.2
779	P	55.9	Low	34.2	Very low	108 Å²	108	146 Å²	146	70%	0.701	79%	0.789	S	S	*	*			cis	-140.3	-159	10.2	33.9	-8.3	0	0	0	115.9
780	T	26.5	Very low	34.1	Very low	141 Å²	141	142.4 Å²	142.4	87%	0.865	79%	0.788	S	S	*	*			trans	110.3	159.7	154.3	73.1	0	0	0	0	119.8
781	L	27.9	Very low	34	Very low	163 Å²	163	141.1 Å²	141.1	85%	0.853	78%	0.784	S	S	*	*			trans	-110.4	150	-165.3	-76	145.9	0	0	0	112.1
782	Q	27.8	Very low	33.9	Very low	153 Å²	153	145.8 Å²	145.8	72%	0.715	78%	0.78	S	S	*	*				172.4	138	108.2	-96.3	-166.1	43.1	0	0	114.8
783	Q	29.2	Very low	33.5	Very low	132 Å²	132	144.6 Å²	144.6	62%	0.617	77%	0.77	S	S	*	*			trans	60.5	153.7	148.8	-62.5	-169.6	43.4	0	0	117.6
784	K	27.3	Very low	32.3	Very low	151 Å²	151	149.3 Å²	149.3	66%	0.657	77%	0.773	S	S	*	*			cis	-155.2	165	-5.9	-109.8	165	177	148.6	0	103.5
785	R	26.2	Very low	31.8	Very low	215 Å²	215	148 Å²	148	81%	0.811	76%	0.758	S	S	*	*			cis	-167.7	154.1	22.9	-130.3	162.1	-174.7	161.4	-3.2	107.2
786	K	34.2	Very low	30.2	Very low	197 Å²	197	151.5 Å²	151.5	86%	0.857	76%	0.757	S	S	*	*			trans	-83.4	162.9	151.6	-68.2	-172.3	177.7	-176.5	0	109.1
787	P	38.2	Very low	30	Very low	122 Å²	122	149 Å²	149	79%	0.792	75%	0.75	S	S	*	*				-150.2	172.8	101.5	39.7	-24.1	0	0	0	116.3
788	S	25.8	Very low	30	Very low	111 Å²	111	150.2 Å²	150.2	78%	0.776	74%	0.742	S	S	*	*			trans	57.1	126.4	164.3	-137.9	0	0	0	0	118.7
789	R	27.7	Very low	29.6	Very low	245 Å²	245	149.4 Å²	149.4	93%	0.925	73%	0.733	S	S	*	*			cis	89.3	122.2	21.8	-161.1	-171.7	-167.1	-168.2	5.6	114.4
790	G	28.8	Very low	28.4	Very low	73 Å²	73	151.5 Å²	151.5	75%	0.753	74%	0.738	S	S	*	*			trans	108.5	140.1	-179.2	0	0	0	0	0	111.7
791	S	28.5	Very low	28.6	Very low	105 Å²	105	151.9 Å²	151.9	73%	0.734	73%	0.733	S	S	*	*			cis	-160.8	171.6	-8.5	-152.3	0	0	0	0	111.7
792	R	28.8	Very low	28.6	Very low	198 Å²	198	151.3 Å²	151.3	75%	0.747	73%	0.731	S	S	*	*			trans	-1.9	157.9	141.9	-63.6	179.8	139.8	164.6	-5	119.5
793	E	26.7	Very low	28.6	Very low	143 Å²	143	148.5 Å²	148.5	67%	0.668	73%	0.733	S	S	*	*			cis	-170.7	179.8	-6	-106.4	152.5	-173.7	0	0	106.5
794	W	25.9	Very low	28.6	Very low	217 Å²	217	147.3 Å²	147.3	82%	0.822	74%	0.739	S	S	*	*			trans	71	124.8	167.7	-151.7	-96.4	0	0	0	115.6
795	E	27	Very low	29	Very low	100 Å²	100	146.3 Å²	146.3	47%	0.467	75%	0.745	S	S	.	*			cis	105.1	128.6	31.1	-152.2	-153.1	-94.1	0	0	113.2
796	R	26.5	Very low	29	Very low	180 Å²	180	144.1 Å²	144.1	68%	0.679	74%	0.742	S	S	*	*			trans	61.1	132.8	154.1	-94.4	-167.3	-176.8	106.8	-5.7	122.5
797	N	27.5	Very low	28.6	Very low	124 Å²	124	140.4 Å²	140.4	66%	0.663	73%	0.731	S	S	*	*			trans	68.5	158.7	133.4	-71.4	11.2	0	0	0	120.1
798	Q	28	Very low	28.2	Very low	140 Å²	140	141.8 Å²	141.8	65%	0.654	73%	0.731	S	S	*	*			cis	-173.5	149.1	-37.9	-135.6	-165.1	-0.3	0	0	107.9
799	N	27.8	Very low	29	Very low	120 Å²	120	141.9 Å²	141.9	64%	0.642	73%	0.729	S	S	*	*			trans	72.3	160.1	154.2	-45.3	-32.8	0	0	0	121.7
800	L	29.2	Very low	30.2	Very low	151 Å²	151	135.2 Å²	135.2	79%	0.791	72%	0.718	S	S	*	*			trans	94.9	104.8	150.1	-66.2	151.3	0	0	0	121.5
801	I	31.3	Very low	30.1	Very low	150 Å²	150	140.5 Å²	140.5	77%	0.769	73%	0.725	S	S	*	*				112.4	140.3	125.3	-75.2	171.3	0	0	0	120.3
802	N	28.8	Very low	30	Very low	151 Å²	151	139.1 Å²	139.1	81%	0.807	73%	0.728	S	S	*	*			trans	-102.4	157.3	-167.1	-44.9	-45.3	0	0	0	113.7
803	A	28.2	Very low	30	Very low	93 Å²	93	135.3 Å²	135.3	77%	0.769	73%	0.731	S	S	*	*			trans	-156.4	138.5	137.9	0	0	0	0	0	107.3
804	C	28.9	Very low	31	Very low	108 Å²	108	133.6 Å²	133.6	73%	0.73	73%	0.733	S	S	*	*			cis	71.5	133.1	38	-63.2	0	0	0	0	113.1
805	T	34.6	Very low	31.2	Very low	130 Å²	130	128.9 Å²	128.9	80%	0.798	73%	0.727	S	S	*	*			cis	-162.5	179.6	12.6	-4.4	0	0	0	0	112.1
806	K	27.5	Very low	31.5	Very low	169 Å²	169	131.3 Å²	131.3	74%	0.735	74%	0.742	S	S	*	*			trans	100.1	139.1	166.1	-64.5	-175.8	143.3	-84.8	0	116.6
807	D	26	Very low	32.3	Very low	119 Å²	119	127.6 Å²	127.6	64%	0.636	74%	0.741	S	S	*	*			cis	-142.8	-179	-6	-99	-33.2	0	0	0	111.7
808	L	28.8	Very low	32.3	Very low	151 Å²	151	127.1 Å²	127.1	79%	0.791	74%	0.743	S	S	*	*			trans	-108.5	-152.7	-158.8	-72.3	91	0	0	0	115.2
809	P	42.6	Very low	32.2	Very low	113 Å²	113	127 Å²	127	73%	0.734	75%	0.747	S	S	*	*				-124.8	-136.1	-82	41	-22.9	0	0	0	110.7
810	P	52.5	Low	32.3	Very low	105 Å²	105	129 Å²	129	68%	0.682	76%	0.756	S	S	*	*			cis	-119.6	-172.6	-30	29.5	-5.6	0	0	0	112
811	M	27.4	Very low	33.3	Very low	183 Å²	183	126.7 Å²	126.7	90%	0.901	75%	0.751	S	S	*	*			cis	-169	165.8	44.9	-101.9	-61.5	-167.4	0	0	110.8
812	G	26.1	Very low	33.2	Very low	77 Å²	77	128 Å²	128	79%	0.794	76%	0.759	S	S	*	*			trans	112	107.9	142.4	0	0	0	0	0	120.3
813	S	28	Very low	33.2	Very low	118 Å²	118	132.7 Å²	132.7	83%	0.825	77%	0.765	S	S	*	*			trans	-116.1	175.6	153	-142.8	0	0	0	0	106.9
814	P	47.5	Very low	33.1	Very low	107 Å²	107	133.3 Å²	133.3	70%	0.695	77%	0.77	S	S	*	*			cis	-150.1	177.1	20.4	46	-24.9	0	0	0	119.1
815	V	30.3	Very low	33.1	Very low	117 Å²	117	133.5 Å²	133.5	71%	0.709	77%	0.772	S	S	*	*			trans	43.5	112	134.4	175.4	0	0	0	0	122.5
816	I	34.1	Very low	33.6	Very low	151 Å²	151	132.4 Å²	132.4	77%	0.774	77%	0.768	S	S	*	*				58.2	152.2	128.8	-60.8	179.2	0	0	0	119.6
817	P	42.4	Very low	33.6	Very low	102 Å²	102	129.1 Å²	129.1	66%	0.662	77%	0.765	S	S	*	*			cis	-133.3	-174.9	3.1	28.2	-3.2	0	0	0	118.4
818	T	29.3	Very low	33.7	Very low	115 Å²	115	132 Å²	132	71%	0.706	78%	0.775	S	S	*	*			trans	80.4	125	142.7	32.8	0	0	0	0	125.2
819	D	25.8	Very low	33.9	Very low	138 Å²	138	131.7 Å²	131.7	74%	0.738	77%	0.772	S	S	*	*			trans	82	133.1	130.4	-71.9	-3.8	0	0	0	127.5
820	L	29	Very low	33.7	Very low	160 Å²	160	131.9 Å²	131.9	84%	0.838	77%	0.774	S	S	*	*			trans	74.8	160.8	147	-69.2	168.1	0	0	0	120.7
821	P	50.5	Low	32.5	Very low	103 Å²	103	132.3 Å²	132.3	67%	0.669	78%	0.779	S	S	*	*			trans	-125.1	172.6	-150.8	43.8	-32.2	0	0	0	116.1
822	L	28.9	Very low	32.6	Very low	179 Å²	179	130.4 Å²	130.4	94%	0.937	78%	0.778	S	S	*	*				-178	176	127.8	-99.7	168.1	0	0	0	113.6
823	R	28.6	Very low	32.7	Very low	249 Å²	249	133.1 Å²	133.1	94%	0.94	78%	0.779	S	S	*	*			trans	-88.4	146.7	-175.4	-89.7	176.3	161.4	155.7	-6.9	114.5
824	A	26.8	Very low	32.8	Very low	105 Å²	105	133.5 Å²	133.5	87%	0.868	78%	0.776	S	S	*	*			trans	-152.8	165.5	140.7	0	0	0	0	0	110.9
825	S	27.8	Very low	31.8	Very low	113 Å²	113	136.2 Å²	136.2	79%	0.79	78%	0.783	S	S	*	*			trans	-139.7	178.5	-176.2	62.6	0	0	0	0	109.3
826	P	45.9	Very low	32	Very low	107 Å²	107	135.6 Å²	135.6	70%	0.695	78%	0.782	S	S	*	*			cis	-142.3	179.6	13.2	42	-21.3	0	0	0	118.7
827	S	27.8	Very low	31.6	Very low	99 Å²	99	136.5 Å²	136.5	69%	0.692	79%	0.786	S	S	*	*			trans	59.2	106	149.7	59.8	0	0	0	0	122.3
828	H	27.3	Very low	30.8	Very low	179 Å²	179	137.9 Å²	137.9	83%	0.829	79%	0.793	S	S	*	*				-167.5	168.5	119.7	-117.6	-95.6	0	0	0	113.5
829	I	33.9	Very low	30.9	Very low	145 Å²	145	141.5 Å²	141.5	74%	0.744	80%	0.802	S	S	*	*			trans	-62.4	142.1	179.6	-54.7	152.5	0	0	0	110.5
830	P	37.8	Very low	31	Very low	118 Å²	118	144.5 Å²	144.5	77%	0.766	81%	0.812	S	S	*	*				-158	-162.4	67.6	45.9	-22.7	0	0	0	118.9
831	S	28.1	Very low	30.8	Very low	114 Å²	114	139.6 Å²	139.6	80%	0.797	80%	0.8	S	S	*	*			trans	-50.8	158.6	-176.8	-47.2	0	0	0	0	118.9
832	V	29.8	Very low	29.7	Very low	142 Å²	142	145.7 Å²	145.7	86%	0.861	81%	0.811	S	S	*	*			trans	-76.2	138.8	179.6	179.5	0	0	0	0	113.3
833	V	27.5	Very low	29.4	Very low	135 Å²	135	145.6 Å²	145.6	82%	0.818	81%	0.806	S	S	*	*			trans	-130.7	145	166.3	173.5	0	0	0	0	109.8
834	V	29.9	Very low	29.3	Very low	126 Å²	126	141.4 Å²	141.4	76%	0.764	80%	0.797	S	S	*	*			trans	-80.6	139.7	-178.9	175.8	0	0	0	0	111.7
835	L	26.1	Very low	29.3	Very low	163 Å²	163	143.3 Å²	143.3	85%	0.853	79%	0.788	S	S	*	*			trans	-143.8	164.5	158.9	-82.6	-171.2	0	0	0	111.8
836	P	34.6	Very low	29.2	Very low	105 Å²	105	149.3 Å²	149.3	68%	0.682	80%	0.795	S	S	*	*			trans	-124	-175.2	-147.3	44.8	-34.3	0	0	0	115.2
837	I	26.2	Very low	28.4	Very low	169 Å²	169	149.4 Å²	149.4	87%	0.867	79%	0.793	S	S	*	*			trans	-133.3	140.1	158.5	-60.7	-178.9	0	0	0	109.3
838	T	25.8	Very low	28.3	Very low	132 Å²	132	150.5 Å²	150.5	81%	0.81	79%	0.791	S	S	*	*			trans	-122.4	159.1	172	45.4	0	0	0	0	111.4
839	Q	29.9	Very low	28.2	Very low	190 Å²	190	149.8 Å²	149.8	89%	0.888	79%	0.788	S	S	*	*			trans	-84.1	154.7	-172.6	-56.5	164.9	-62.6	0	0	114.2
840	Q	29.4	Very low	28.9	Very low	201 Å²	201	147.5 Å²	147.5	94%	0.939	78%	0.783	S	S	*	*			trans	-173.8	149	143.3	-101.6	162.7	17.7	0	0	108
841	G	25.4	Very low	28.3	Very low	57 Å²	57	151.3 Å²	151.3	59%	0.588	79%	0.787	S	S	*	*			cis	143.9	115.1	-10.1	0	0	0	0	0	113.2
842	Y	25.9	Very low	28.2	Very low	232 Å²	232	153.2 Å²	153.2	91%	0.91	79%	0.786	S	S	*	*			trans	-175.3	157	163.8	-90.9	-59	0	0	0	107.8
843	Q	22.7	Very low	28.1	Very low	177 Å²	177	150.9 Å²	150.9	83%	0.827	78%	0.775	S	S	*	*			cis	-145.8	164.2	9.5	-151.5	173.6	8.8	0	0	112.2
844	H	27.6	Very low	28.3	Very low	160 Å²	160	152.5 Å²	152.5	74%	0.741	77%	0.774	S	S	*	*			trans	-71.9	172.3	166.5	-83.6	-114.5	0	0	0	111.9
845	E	25.3	Very low	28.3	Very low	146 Å²	146	153.3 Å²	153.3	68%	0.682	78%	0.779	S	S	*	*			cis	175.1	142.7	-16.5	170.8	179.9	-179	0	0	106.7
846	Y	25.5	Very low	28.4	Very low	238 Å²	238	149.9 Å²	149.9	93%	0.933	77%	0.774	S	S	*	*			trans	-168.5	172.4	153.9	-124.5	-88.5	0	0	0	112.1
847	V	30.3	Very low	28.2	Very low	109 Å²	109	153.7 Å²	153.7	66%	0.661	78%	0.782	S	S	*	*			trans	-127.3	156.7	-158.3	175.4	0	0	0	0	114.4
848	D	25.9	Very low	28.5	Very low	123 Å²	123	154.6 Å²	154.6	66%	0.658	79%	0.786	S	S	*	*			trans	83.7	120.5	160.9	-96.8	-40.8	0	0	0	122.6
849	Q	24.2	Very low	28.7	Very low	164 Å²	164	152.5 Å²	152.5	77%	0.766	78%	0.781	S	S	*	*				47	164.3	129.4	-78.6	-172.8	75.5	0	0	123.8
850	P	49.4	Very low	28.8	Very low	97 Å²	97	149.6 Å²	149.6	63%	0.63	77%	0.771	S	S	*	*			cis	-143.8	177.8	-36.6	40.4	-23.3	0	0	0	115.9
851	K	25.5	Very low	29	Very low	197 Å²	197	147.7 Å²	147.7	86%	0.857	76%	0.762	S	S	*	*			trans	74.7	154.2	146.4	-87.1	-178.8	178.1	-178.1	0	123.4
852	M	25.3	Very low	29.2	Very low	155 Å²	155	152 Å²	152	76%	0.764	77%	0.772	S	S	*	*			trans	79.1	129.6	170.6	-51.1	-154.2	72	0	0	116
853	S	28.1	Very low	29.6	Very low	92 Å²	92	149.5 Å²	149.5	64%	0.643	77%	0.768	S	S	*	*			cis	72.2	140.8	29.9	92.2	0	0	0	0	113
854	E	31.5	Very low	29.9	Very low	170 Å²	170	145.5 Å²	145.5	79%	0.794	77%	0.766	S	S	*	*			cis	-165.9	144.9	18.7	176.6	174.1	-151.2	0	0	110.3
855	V	29	Very low	30.2	Very low	143 Å²	143	142 Å²	142	87%	0.867	77%	0.765	S	S	*	*			trans	-147	107.2	158.3	-177.1	0	0	0	0	112.1
856	A	29.1	Very low	30.4	Very low	90 Å²	90	141.3 Å²	141.3	74%	0.744	77%	0.771	S	S	*	*			trans	36.7	126.8	147.2	0	0	0	0	0	123.3
857	Q	30.8	Very low	30.6	Very low	185 Å²	185	137 Å²	137	86%	0.864	76%	0.763	S	S	*	*			trans	-91.1	164.9	152.4	-89.9	146.3	-79.1	0	0	112.1
858	M	31.2	Very low	30.4	Very low	189 Å²	189	141 Å²	141	93%	0.931	77%	0.774	S	S	*	*			trans	164.2	148.2	134.2	-89.2	172	-159.1	0	0	108.5
859	A	30.4	Very low	30.4	Very low	87 Å²	87	144.4 Å²	144.4	72%	0.719	78%	0.779	S	S	*	*			cis	-149.6	175.6	9.4	0	0	0	0	0	109.5
860	L	32.7	Very low	30.5	Very low	129 Å²	129	144.6 Å²	144.6	68%	0.675	78%	0.778	S	S	*	*			cis	-156.4	141.6	-0.3	-162	68.7	0	0	0	109.7
861	E	33.3	Very low	29.5	Very low	161 Å²	161	145.8 Å²	145.8	75%	0.752	78%	0.783	S	S	*	*			trans	36.9	153.8	150.2	-68.4	148.7	-166	0	0	122.8
862	D	28.9	Very low	29.7	Very low	147 Å²	147	143.5 Å²	143.5	79%	0.786	78%	0.779	S	S	*	*			cis	-140.8	162	17.7	-164.4	17.3	0	0	0	114.4
863	Q	34.8	Very low	29.8	Very low	180 Å²	180	145 Å²	145	84%	0.841	78%	0.781	S	S	*	*			trans	-147.4	148.6	175	-76.5	-169.6	-7.5	0	0	112.8
864	A	28.4	Very low	29.7	Very low	94 Å²	94	145.7 Å²	145.7	78%	0.777	77%	0.774	S	S	*	*			trans	-133.5	125.4	152.4	0	0	0	0	0	108
865	A	34.4	Very low	29.4	Very low	87 Å²	87	142.9 Å²	142.9	72%	0.719	76%	0.761	S	S	*	*				75	139.7	57.2	0	0	0	0	0	112.1
866	T	29.3	Very low	29.3	Very low	131 Å²	131	142.6 Å²	142.6	80%	0.804	75%	0.754	S	S	*	*			cis	-149.5	-174.1	14.7	-24.9	0	0	0	0	111.9
867	L	29.6	Very low	29.2	Very low	147 Å²	147	143 Å²	143	77%	0.77	75%	0.751	S	S	*	*			trans	-70	167.8	174.2	-62.6	74.3	0	0	0	112.7
868	E	27.8	Very low	29	Very low	192 Å²	192	139.6 Å²	139.6	90%	0.897	75%	0.748	S	S	*	*				178.3	-171.8	112.3	-90	-110.4	134	0	0	113.9
869	Y	25.1	Very low	29	Very low	195 Å²	195	140.9 Å²	140.9	77%	0.765	75%	0.748	S	S	*	*			trans	-103.3	153.3	-158.9	-135.8	-125	0	0	0	113.6
870	K	26.9	Very low	28.8	Very low	168 Å²	168	141.8 Å²	141.8	73%	0.73	75%	0.749	S	S	*	*			trans	33.2	147.8	154.1	-76.7	-173.1	173.9	-179.9	0	122.9
871	T	27	Very low	28.9	Very low	122 Å²	122	140.5 Å²	140.5	75%	0.748	75%	0.749	S	S	*	*			trans	89.1	137.6	143.1	20.1	0	0	0	0	122.1
872	I	30.3	Very low	29.4	Very low	149 Å²	149	139.1 Å²	139.1	76%	0.764	75%	0.746	S	S	*	*			trans	82.8	94.5	149.9	-65.2	161.8	0	0	0	118.8
873	K	26.9	Very low	29.6	Very low	188 Å²	188	140.5 Å²	140.5	82%	0.817	75%	0.747	S	S	*	*				80.9	149.3	118.1	-157.2	172.1	-177.7	-178	0	121
874	E	25.8	Very low	29.4	Very low	105 Å²	105	135.3 Å²	135.3	49%	0.491	74%	0.743	S	S	.	*			trans	-73	175.7	-171.6	-56.8	155.7	107.2	0	0	116.1	N890	E874-N890 PolarHBondContact OE1-ND2 3.45Å
875	H	26.6	Very low	29.8	Very low	112 Å²	112	136.7 Å²	136.7	52%	0.519	74%	0.741	S	S	.	*			trans	76.1	146.1	156.9	-65.5	-38.8	0	0	0	118.6	E889	H875-E889 IonicContact CD2-OE1 3.7Å; H875-E889 IonicContact CE1-OE1 2.69Å; H875-E889 PolarHBondContact CE1-OE1 3.26Å; H875-E889 IonicContact NE2-OE1 2.82Å; H875-E889 PolarHBondContact NE2-OE1 3.17Å
876	L	26.8	Very low	29.7	Very low	137 Å²	137	139.2 Å²	139.2	72%	0.717	74%	0.742	S	S	*	*			cis	-173.9	158.4	-34.6	-118.9	-173.5	0	0	0	106.3
877	S	26.6	Very low	29.9	Very low	97 Å²	97	140 Å²	140	68%	0.678	74%	0.741	S	S	*	*			trans	43.7	126.4	152.7	-60.1	0	0	0	0	120
878	S	26.5	Very low	30.1	Very low	114 Å²	114	139 Å²	139	80%	0.797	74%	0.741	S	S	*	*				171.5	140.4	69.8	44.2	0	0	0	0	113.3
879	K	30.2	Very low	30.2	Very low	217 Å²	217	135.8 Å²	135.8	94%	0.943	73%	0.726	S	S	*	*			trans	-161.3	88	138.4	-121.2	178.4	-175.6	178.1	0	110.7
880	S	26.8	Very low	30.5	Very low	106 Å²	106	131.7 Å²	131.7	74%	0.741	72%	0.717	S	S	*	*			trans	-105	157.1	162.9	173.6	0	0	0	0	108.4
881	P	35.6	Very low	30.8	Very low	102 Å²	102	130 Å²	130	66%	0.662	72%	0.716	S	S	*	*			trans	-121.5	140	143.1	35	-26.9	0	0	0	112.2
882	N	44	Very low	30.8	Very low	131 Å²	131	130.6 Å²	130.6	70%	0.701	71%	0.714	S	S	*	*	S	Bend	trans	55.5	114.8	147.1	-51.6	-7.6	0	0	0	118.1
883	H	32.8	Very low	30.6	Very low	176 Å²	176	128.7 Å²	128.7	82%	0.815	71%	0.714	S	S	*	*			cis	-161.5	139	-8.2	-89.4	-77.2	0	0	0	104.6
884	G	30.8	Very low	30.7	Very low	72 Å²	72	127.6 Å²	127.6	74%	0.742	72%	0.716	S	S	*	*			cis	170.6	-168	2.3	0	0	0	0	0	107.3
885	V	35.7	Very low	32.1	Very low	122 Å²	122	127.8 Å²	127.8	74%	0.739	73%	0.726	S	S	*	*			cis	-158.2	154.3	-6.4	-163.5	0	0	0	0	106.7
886	N	32.9	Very low	33.3	Very low	140 Å²	140	127.6 Å²	127.6	75%	0.749	74%	0.735	S	S	*	*			trans	68.1	149.4	169.2	-64.2	-17.7	0	0	0	119.1
887	L	34.4	Very low	33.3	Very low	149 Å²	149	130.2 Å²	130.2	78%	0.78	74%	0.741	S	S	*	*			cis	-171.9	151.2	-33.6	-142.6	72	0	0	0	111.8
888	V	31.9	Very low	33.5	Very low	126 Å²	126	131.8 Å²	131.8	76%	0.764	75%	0.746	S	S	*	*			trans	84.8	161	156.1	-169.9	0	0	0	0	122
889	E	31.1	Very low	34.2	Very low	124 Å²	124	132 Å²	132	58%	0.579	74%	0.744	S	S	*	*			trans	-87.5	151.8	-147.3	-68.4	160.6	119.3	0	0	122.6	H875	H875-E889 IonicContact CD2-OE1 3.7Å; H875-E889 IonicContact CE1-OE1 2.69Å; H875-E889 PolarHBondContact CE1-OE1 3.26Å; H875-E889 IonicContact NE2-OE1 2.82Å; H875-E889 PolarHBondContact NE2-OE1 3.17Å
890	N	31.3	Very low	34.2	Very low	108 Å²	108	129.3 Å²	129.3	58%	0.578	74%	0.735	S	S	*	*				46.7	148.2	119.8	-129.8	3.5	0	0	0	127.2	E874	E874-N890 PolarHBondContact OE1-ND2 3.45Å
891	L	33.2	Very low	34.5	Very low	134 Å²	134	133 Å²	133	70%	0.702	73%	0.733	S	S	*	*			trans	64.7	156.4	159.3	-106.6	68	0	0	0	120.2
892	D	27.5	Very low	34.1	Very low	134 Å²	134	135 Å²	135	72%	0.717	73%	0.733	S	S	*	*			cis	-155.7	166.3	7	-155.6	-5	0	0	0	114.9
893	S	26.3	Very low	33.3	Very low	109 Å²	109	133 Å²	133	76%	0.762	74%	0.735	S	S	*	*			trans	83.6	148.8	152.6	77.7	0	0	0	0	124.3
894	L	28.9	Very low	33.1	Very low	165 Å²	165	130.1 Å²	130.1	86%	0.864	74%	0.735	S	S	*	*			trans	-132.1	178.6	177.7	-92.6	167.9	0	0	0	108.3
895	P	53.8	Low	33.1	Very low	108 Å²	108	135.6 Å²	135.6	70%	0.701	75%	0.746	S	S	*	*			cis	-123.8	-120.9	1.6	27	0.8	0	0	0	109.8
896	P	51.3	Low	32.7	Very low	109 Å²	109	132.5 Å²	132.5	71%	0.708	74%	0.739	S	S	*	*			cis	-135.7	159.9	-28.5	37.8	-18	0	0	0	119.1
897	K	27.3	Very low	32.8	Very low	191 Å²	191	131.8 Å²	131.8	83%	0.83	74%	0.742	S	S	*	*			trans	14.4	132.1	146.4	-68.2	-179.6	175.8	176.4	0	123.2
898	V	30.7	Very low	32.7	Very low	131 Å²	131	131 Å²	131	79%	0.794	75%	0.746	S	S	*	*			trans	73.3	153.9	134.1	168.1	0	0	0	0	116.1
899	P	41.5	Very low	32.6	Very low	117 Å²	117	128.6 Å²	128.6	76%	0.76	75%	0.746	S	S	*	*			cis	-129.1	-166.4	12.1	25.1	1.5	0	0	0	117.5
900	Q	30.6	Very low	32.6	Very low	162 Å²	162	127.6 Å²	127.6	76%	0.757	76%	0.759	S	S	*	*			trans	-41	175.3	159.2	-49.4	174	-18.1	0	0	114.9
901	R	32.7	Very low	32.4	Very low	184 Å²	184	128.3 Å²	128.3	69%	0.694	77%	0.772	S	S	*	*			cis	-172.4	159.9	36.3	-153.6	170.5	164.4	-172.6	-16.3	114.6
902	E	27	Very low	32.3	Very low	143 Å²	143	129.8 Å²	129.8	67%	0.668	78%	0.78	S	S	*	*			trans	43.1	115.3	151.6	-82	156.9	-150.3	0	0	123.8
903	A	28.3	Very low	32.4	Very low	88 Å²	88	129 Å²	129	73%	0.727	79%	0.786	S	S	*	*				82.3	131.8	119.4	0	0	0	0	0	123.2
904	S	27.3	Very low	32.7	Very low	117 Å²	117	132.6 Å²	132.6	82%	0.818	79%	0.79	S	S	*	*			trans	68.9	118.1	152.1	-57.5	0	0	0	0	120
905	L	30.6	Very low	32.9	Very low	186 Å²	186	131.9 Å²	131.9	97%	0.974	79%	0.793	S	S	*	*			trans	-161.9	174.4	134.2	-112.3	171.4	0	0	0	112.6
906	G	28.1	Very low	31.8	Very low	57 Å²	57	130 Å²	130	59%	0.588	79%	0.793	S	S	*	*			trans	-84.3	-161.8	-173.3	0	0	0	0	0	116
907	P	34.8	Very low	31	Very low	126 Å²	126	132.9 Å²	132.9	82%	0.818	80%	0.801	S	S	*	*			trans	-82.1	145.6	-155.3	31.7	-36.9	0	0	0	115	G909	P907-G909 PolarHBondContact O-N 2.76Å
908	P	33.7	Very low	31.2	Very low	133 Å²	133	128.5 Å²	128.5	86%	0.864	80%	0.795	S	S	*	*			trans	-78.2	115.3	168.4	31.3	-31.9	0	0	0	111.1
909	G	28.1	Very low	31.4	Very low	74 Å²	74	131.2 Å²	131.2	76%	0.763	80%	0.796	S	S	*	*			trans	-76.9	140.5	157	0	0	0	0	0	109.7	P907	P907-G909 PolarHBondContact O-N 2.76Å
910	A	31.9	Very low	30.8	Very low	103 Å²	103	136.3 Å²	136.3	85%	0.851	80%	0.8	S	S	*	*			trans	-78.2	145	-171.8	0	0	0	0	0	113.8
911	S	27.2	Very low	30.7	Very low	123 Å²	123	133.8 Å²	133.8	86%	0.86	79%	0.791	S	S	*	*			trans	-135.3	127.5	152	53.6	0	0	0	0	109.2
912	L	32	Very low	30.5	Very low	165 Å²	165	131.6 Å²	131.6	86%	0.864	79%	0.789	S	S	*	*			trans	-90.3	140.9	174.6	-81.5	127.7	0	0	0	109.9
913	S	28	Very low	30.6	Very low	119 Å²	119	131.9 Å²	131.9	83%	0.832	79%	0.792	S	S	*	*			trans	-91	141	157	47.7	0	0	0	0	109.8
914	Q	33.9	Very low	30.6	Very low	183 Å²	183	134.9 Å²	134.9	86%	0.855	79%	0.79	S	S	*	*			trans	-118	153.1	173.8	-81	-171.7	-19.4	0	0	110.6
915	T	31.8	Very low	30.7	Very low	151 Å²	151	136.2 Å²	136.2	93%	0.926	78%	0.784	S	S	*	*			trans	-130.8	87.4	170.2	34.7	0	0	0	0	112.5
916	G	31.8	Very low	30.8	Very low	67 Å²	67	131.1 Å²	131.1	69%	0.691	76%	0.764	S	S	*	*			trans	81.3	-174.9	154.8	0	0	0	0	0	118.2
917	L	34.3	Very low	31.2	Very low	171 Å²	171	133.9 Å²	133.9	90%	0.895	77%	0.774	S	S	*	*			cis	-173	148.9	-20.1	-100.8	173.5	0	0	0	105.2
918	S	31.3	Very low	31.2	Very low	99 Å²	99	132 Å²	132	69%	0.692	76%	0.764	S	S	*	*			cis	-164.5	-165.6	-3	-164.6	0	0	0	0	109.3
919	K	34	Very low	31.2	Very low	188 Å²	188	136.7 Å²	136.7	82%	0.817	77%	0.766	S	S	*	*			trans	81.5	108	179.3	-57.1	178.1	-179.1	176.5	0	113.2
920	R	30.6	Very low	31.3	Very low	224 Å²	224	136 Å²	136	85%	0.845	76%	0.758	S	S	*	*				89.9	138.9	77.3	-90.4	-171.2	145.8	177.8	-9.9	111
921	L	27.7	Very low	31.3	Very low	109 Å²	109	137.8 Å²	137.8	57%	0.571	76%	0.758	S	S	*	*			cis	-156.2	150.9	15.5	-164	71.7	0	0	0	112.5
922	E	27.9	Very low	31.4	Very low	137 Å²	137	138.9 Å²	138.9	64%	0.64	75%	0.754	S	S	*	*			trans	53	120.5	151.6	-77.3	153	-146	0	0	122.1
923	M	28.7	Very low	31.4	Very low	149 Å²	149	140.8 Å²	140.8	73%	0.734	75%	0.751	S	S	*	*				83.5	143.9	96.5	-73.3	-174.7	174.9	0	0	114.7
924	H	29.2	Very low	31.3	Very low	151 Å²	151	144.7 Å²	144.7	70%	0.699	75%	0.754	S	S	*	*			cis	-162.8	-176.5	-4.3	-115.7	-31.1	0	0	0	108.5
925	H	30.3	Very low	31.2	Very low	146 Å²	146	147.2 Å²	147.2	68%	0.676	76%	0.755	S	S	*	*			cis	-155.4	-171	9.3	-157.6	-112.7	0	0	0	111.6
926	S	31.9	Very low	30.9	Very low	79 Å²	79	145.7 Å²	145.7	55%	0.552	75%	0.751	S	S	*	*			trans	12.2	127.6	155.1	46.5	0	0	0	0	122.2
927	S	36.5	Very low	30.9	Very low	115 Å²	115	153 Å²	153	80%	0.804	76%	0.759	S	S	*	*				90.1	159.3	55.8	84.2	0	0	0	0	114
928	S	33.9	Very low	31.4	Very low	86 Å²	86	150.4 Å²	150.4	60%	0.601	75%	0.752	S	S	*	*			cis	-165.4	167.3	18.1	58.3	0	0	0	0	114.9
929	Y	34.1	Very low	31.5	Very low	232 Å²	232	151.3 Å²	151.3	91%	0.91	75%	0.754	S	S	*	*			trans	58.8	147.6	160.8	-59.9	-66.1	0	0	0	122
930	G	30.5	Very low	31.3	Very low	58 Å²	58	149.8 Å²	149.8	60%	0.598	76%	0.755	S	S	*	*			cis	171.1	171	-7.9	0	0	0	0	0	115.4
931	V	32.2	Very low	31.3	Very low	141 Å²	141	144.4 Å²	144.4	86%	0.855	75%	0.751	S	S	*	*			trans	59.3	151.5	171.2	-95	0	0	0	0	118.2
932	D	29.6	Very low	31.5	Very low	146 Å²	146	146.7 Å²	146.7	78%	0.781	76%	0.763	S	S	*	*			cis	-146.7	177.6	19.3	-142.8	-30.6	0	0	0	115.9
933	Y	30.5	Very low	31.7	Very low	205 Å²	205	146.8 Å²	146.8	80%	0.804	77%	0.773	S	S	*	*			trans	-83.9	150.5	-172.9	-92.5	-111.1	0	0	0	115.7
934	K	26.3	Very low	31.7	Very low	202 Å²	202	149.9 Å²	149.9	88%	0.878	78%	0.777	S	S	*	*				177.1	-176	87.3	-133.4	155.6	-171	170.1	0	113.1
935	R	32.5	Very low	31.8	Very low	236 Å²	236	147.8 Å²	147.8	89%	0.891	78%	0.779	S	S	*	*			trans	-145.5	143.5	-159.7	-177.6	-166.1	-153.8	172.4	7.8	111.6
936	S	26	Very low	31.8	Very low	119 Å²	119	148.3 Å²	148.3	83%	0.832	78%	0.782	S	S	*	*			trans	173.3	154.6	144.3	-92.6	0	0	0	0	115.5
937	Y	30.8	Very low	31.7	Very low	219 Å²	219	153.4 Å²	153.4	86%	0.859	80%	0.797	S	S	*	*			trans	-110.9	160.4	166.9	-79.6	-92.7	0	0	0	110.3
938	P	45.7	Very low	31.5	Very low	117 Å²	117	151.7 Å²	151.7	76%	0.76	79%	0.79	S	S	*	*				-139.1	150.9	105.3	17.6	4.6	0	0	0	112.3
939	T	32	Very low	31.3	Very low	118 Å²	118	153.5 Å²	153.5	72%	0.724	80%	0.797	S	S	*	*			cis	77.8	109.2	48.7	67.1	0	0	0	0	117.9
940	N	30.6	Very low	31.2	Very low	156 Å²	156	148.6 Å²	148.6	83%	0.834	79%	0.792	S	S	*	*			trans	43.2	128.5	149.8	-65	-9.6	0	0	0	122.6
941	S	30.2	Very low	31.3	Very low	111 Å²	111	153 Å²	153	78%	0.776	80%	0.801	S	S	*	*				159.4	142.2	98.6	56.9	0	0	0	0	117.4
942	L	32.3	Very low	31.3	Very low	157 Å²	157	156 Å²	156	82%	0.822	80%	0.802	S	S	*	*			trans	33.2	155.3	141.7	-69.7	164.4	0	0	0	125.7
943	T	31.8	Very low	31.4	Very low	139 Å²	139	159.1 Å²	159.1	85%	0.853	80%	0.803	S	S	*	*			trans	72.7	168.8	162.9	73.4	0	0	0	0	118.7
944	R	29.6	Very low	31.5	Very low	214 Å²	214	155.8 Å²	155.8	81%	0.808	80%	0.799	S	S	*	*				-169	160.6	-50.3	-177.5	172.5	179.1	-176	-0.1	107.2
945	S	30.3	Very low	31.7	Very low	107 Å²	107	152.4 Å²	152.4	75%	0.748	79%	0.791	S	S	*	*			trans	77.8	169	170.9	86.1	0	0	0	0	116.5
946	H	30.8	Very low	31.7	Very low	157 Å²	157	147.1 Å²	147.1	73%	0.727	79%	0.785	S	S	*	*				-170.1	152.5	-57.2	-105.4	-71.7	0	0	0	107.5
947	Q	30.1	Very low	32.1	Very low	186 Å²	186	148.2 Å²	148.2	87%	0.869	78%	0.781	S	S	*	*			trans	63.6	165.7	164.4	-66.9	170.2	-10.1	0	0	116.6
948	A	31.7	Very low	32.2	Very low	79 Å²	79	142.5 Å²	142.5	65%	0.653	77%	0.773	S	S	*	*			cis	-160.4	162.9	-36.9	0	0	0	0	0	111
949	T	29.5	Very low	31.6	Very low	124 Å²	124	141.9 Å²	141.9	76%	0.761	77%	0.772	S	S	*	*			trans	14	124.2	152.7	57.8	0	0	0	0	119.6
950	T	33.2	Very low	31.7	Very low	129 Å²	129	143.7 Å²	143.7	79%	0.791	78%	0.777	S	S	*	*				-176.6	152.6	76.8	36.4	0	0	0	0	108.7
951	L	32	Very low	31.9	Very low	152 Å²	152	141.4 Å²	141.4	80%	0.796	77%	0.773	S	S	*	*			cis	89.9	83.3	41.4	-140.8	-174.4	0	0	0	115
952	K	32	Very low	32	Very low	203 Å²	203	141.7 Å²	141.7	88%	0.883	78%	0.776	S	S	*	*			trans	171.1	169.5	148.7	-96.8	160.5	-173.4	178.4	0	110.6
953	R	31.8	Very low	32	Very low	212 Å²	212	142.4 Å²	142.4	80%	0.8	77%	0.774	S	S	*	*				-174.6	148.7	-59.3	-170	-168.3	160.4	143.3	-0.4	106.9
954	N	31.6	Very low	32.1	Very low	134 Å²	134	143.4 Å²	143.4	72%	0.717	77%	0.773	S	S	*	*			trans	75.1	141.6	178.6	-53.6	-17.8	0	0	0	114.2
955	N	30.7	Very low	32.2	Very low	131 Å²	131	137.5 Å²	137.5	70%	0.701	77%	0.765	S	S	*	*			cis	120.6	110.8	-0.7	178.3	43.5	0	0	0	112.8
956	T	33.4	Very low	32.3	Very low	125 Å²	125	143.1 Å²	143.1	77%	0.767	77%	0.77	S	S	*	*			trans	-172.9	142.3	138.9	12.7	0	0	0	0	113.2
957	N	33	Very low	32.4	Very low	142 Å²	142	141.5 Å²	141.5	76%	0.759	77%	0.766	S	S	*	*			trans	0.2	155.3	140	-63.6	2.1	0	0	0	120
958	S	34.8	Very low	32.5	Very low	99 Å²	99	140 Å²	140	69%	0.692	76%	0.759	S	S	*	*			cis	-178.1	-168.9	-10.5	55.5	0	0	0	0	110.8
959	S	32	Very low	32.6	Very low	105 Å²	105	141.8 Å²	141.8	73%	0.734	77%	0.767	S	S	*	*			trans	94.6	97.5	148.7	-52.1	0	0	0	0	122
960	N	35	Very low	33	Very low	156 Å²	156	144 Å²	144	83%	0.834	77%	0.767	S	S	*	*				21.9	129	125.8	-74	3.2	0	0	0	124.2
961	S	35	Very low	32.9	Very low	107 Å²	107	141.6 Å²	141.6	75%	0.748	77%	0.767	S	S	*	*				65.9	119	125.6	73.4	0	0	0	0	124.6
962	S	31.2	Very low	33.1	Very low	118 Å²	118	143 Å²	143	83%	0.825	76%	0.762	S	S	*	*			trans	-175.2	145.6	134.7	28.4	0	0	0	0	107.7
963	H	32.8	Very low	33	Very low	172 Å²	172	136.3 Å²	136.3	80%	0.796	75%	0.751	S	S	*	*			cis	88.3	116.5	22.9	-94.9	-85.7	0	0	0	118.1
964	L	33.2	Very low	32.9	Very low	159 Å²	159	131.3 Å²	131.3	83%	0.832	74%	0.74	S	S	*	*			trans	72.2	151.7	159.8	-63.5	169.4	0	0	0	117.1
965	S	32	Very low	33	Very low	90 Å²	90	130.8 Å²	130.8	63%	0.629	74%	0.737	S	S	*	*			cis	-171.8	158.6	-8.4	50.6	0	0	0	0	113.7
966	R	33.4	Very low	34.1	Very low	225 Å²	225	129.9 Å²	129.9	85%	0.849	74%	0.739	S	S	*	*			trans	63.4	163.2	151.5	-75.9	-179.8	125.7	155.3	1.2	117.8
967	N	31.4	Very low	35.5	Very low	123 Å²	123	129.4 Å²	129.4	66%	0.658	74%	0.738	S	S	*	*			cis	-148.3	-178.4	0.5	-134.8	21.2	0	0	0	113.1
968	Q	33.9	Very low	36.2	Very low	154 Å²	154	128.4 Å²	128.4	72%	0.72	74%	0.739	S	S	*	*			trans	-84.3	163.9	-169.8	-52.5	160.2	-53.4	0	0	117.2
969	S	33.2	Very low	36.5	Very low	117 Å²	117	127.9 Å²	127.9	82%	0.818	74%	0.741	S	S	*	*			trans	-172.4	172.2	136.9	56.2	0	0	0	0	111.1
970	F	37.3	Very low	37.2	Very low	172 Å²	172	128.5 Å²	128.5	75%	0.754	74%	0.742	S	S	*	*				-151.3	151.7	-68.1	-131.3	-74.4	0	0	0	109.3
971	G	31.6	Very low	36.9	Very low	77 Å²	77	128.2 Å²	128.2	79%	0.794	74%	0.736	S	S	*	*			trans	-169.4	126.1	171.3	0	0	0	0	0	110.5
972	R	36.1	Very low	36.7	Very low	181 Å²	181	132.9 Å²	132.9	68%	0.683	74%	0.737	S	S	*	*			trans	-154.9	142.8	-160	-171	-171.3	-165.3	-85	1.1	113.6	D974	R972-D974 IonicContact CZ-OD1 3.88Å; R972-D974 IonicContact NH1-OD1 3Å; R972-D974 PolarHBondContact NH1-OD1 3.34Å; R972-D974 IonicContact NH1-OD2 3.8Å; R972-D974 PolarHBondContact NH1-OD2 2.81Å; R972-D974 IonicContact NH2-OD1 3.53Å
973	G	29.8	Very low	36.6	Very low	64 Å²	64	132.4 Å²	132.4	66%	0.66	73%	0.729	S	S	*	*			trans	137.5	145.2	145.1	0	0	0	0	0	114.5
974	D	29.8	Very low	36.4	Very low	106 Å²	106	131 Å²	131	57%	0.567	73%	0.727	S	S	*	*			cis	-161.1	124.9	-21.3	-102.3	-63.5	0	0	0	105.1	R972	R972-D974 IonicContact CZ-OD1 3.88Å; R972-D974 IonicContact NH1-OD1 3Å; R972-D974 PolarHBondContact NH1-OD1 3.34Å; R972-D974 IonicContact NH1-OD2 3.8Å; R972-D974 PolarHBondContact NH1-OD2 2.81Å; R972-D974 IonicContact NH2-OD1 3.53Å
975	N	34.4	Very low	36.4	Very low	123 Å²	123	128 Å²	128	66%	0.658	72%	0.719	S	S	*	*				69	147.4	86.5	-80.1	-39.2	0	0	0	116.3
976	P	53.7	Low	36.4	Very low	113 Å²	113	130.3 Å²	130.3	73%	0.734	72%	0.723	S	S	*	*			cis	-140.3	-129.7	-25.8	45	-23.7	0	0	0	112.9
977	P	62.7	Low	36.2	Very low	115 Å²	115	127.2 Å²	127.2	75%	0.747	72%	0.718	S	S	*	*			trans	-116	-147.4	-154.9	36.4	-8.6	0	0	0	111.1
978	P	47.2	Very low	36.1	Very low	121 Å²	121	127.5 Å²	127.5	79%	0.786	72%	0.724	S	S	*	*			cis	-141.9	-161.2	3.7	46.4	-24.9	0	0	0	116.9
979	A	41.7	Very low	35.9	Very low	88 Å²	88	128.4 Å²	128.4	73%	0.727	73%	0.728	S	S	*	*			trans	-102.8	161.1	165.2	0	0	0	0	0	109.8
980	P	46.8	Very low	35.8	Very low	117 Å²	117	127.3 Å²	127.3	76%	0.76	72%	0.72	S	S	*	*				-154.7	-173.4	53.4	42.7	-20.4	0	0	0	118.6
981	Q	28.8	Very low	35.4	Very low	150 Å²	150	124.4 Å²	124.4	70%	0.701	72%	0.722	S	S	*	*			trans	62.7	128.1	146.3	-98.7	-169.3	42.1	0	0	123.8
982	R	29	Very low	35.5	Very low	205 Å²	205	129.4 Å²	129.4	77%	0.774	72%	0.724	S	S	*	*			trans	67.6	158.6	135.2	-91.7	-179.9	176.4	149.5	-9.9	119.7
983	V	30.3	Very low	36.3	Very low	108 Å²	108	126.7 Å²	126.7	66%	0.655	73%	0.73	S	S	*	*			cis	-141.8	165.3	-5.2	-146	0	0	0	0	110.4
984	D	29	Very low	36.4	Very low	143 Å²	143	129.4 Å²	129.4	77%	0.765	74%	0.739	S	S	*	*			trans	71.6	161.3	147.3	-96.8	-67.2	0	0	0	119.3
985	S	33.2	Very low	36.5	Very low	95 Å²	95	127.5 Å²	127.5	66%	0.664	75%	0.745	S	S	*	*			cis	-150.1	-177	-2.8	60.4	0	0	0	0	109.2
986	I	31.1	Very low	36.3	Very low	139 Å²	139	131.3 Å²	131.3	71%	0.713	76%	0.758	S	S	*	*			cis	-149.8	-166.8	3.6	-149.8	157.9	0	0	0	111.5
987	Q	30.1	Very low	35.3	Very low	160 Å²	160	130 Å²	130	75%	0.748	76%	0.758	S	S	*	*			trans	-52.1	149.6	174.3	-69.8	155.3	-47.4	0	0	115.6
988	V	29.2	Very low	33.8	Very low	129 Å²	129	130.5 Å²	130.5	78%	0.782	76%	0.758	S	S	*	*				-167.4	153	71.4	154.9	0	0	0	0	108
989	H	29.6	Very low	32.9	Very low	174 Å²	174	130.6 Å²	130.6	81%	0.806	76%	0.756	S	S	*	*			cis	-139.3	-110.9	16.9	-154.5	-62.4	0	0	0	113.9
990	S	31.5	Very low	32.2	Very low	93 Å²	93	132.3 Å²	132.3	65%	0.65	76%	0.758	S	S	*	*			trans	-159.3	173.6	-174.6	62.6	0	0	0	0	109
991	S	28.3	Very low	31.3	Very low	112 Å²	112	131.6 Å²	131.6	78%	0.783	76%	0.756	S	S	*	*			cis	-157.2	172.6	15.1	49.5	0	0	0	0	113.7
992	Q	34.2	Very low	31.3	Very low	181 Å²	181	135.7 Å²	135.7	85%	0.846	77%	0.765	S	S	*	*			trans	-54.1	-178.6	168.8	-92.4	-179	-17.1	0	0	116.8
993	P	51.6	Low	31.2	Very low	124 Å²	124	134.5 Å²	134.5	81%	0.805	77%	0.768	S	S	*	*			cis	-135.7	-161.1	9.1	28.3	-2	0	0	0	116.3
994	S	32.3	Very low	32.1	Very low	121 Å²	121	135 Å²	135	85%	0.846	77%	0.774	S	S	*	*			trans	-114.2	163	-172.4	57.5	0	0	0	0	115.9
995	G	32.3	Very low	32.1	Very low	67 Å²	67	132.7 Å²	132.7	69%	0.691	77%	0.768	S	S	*	*			trans	149.5	151.3	137.5	0	0	0	0	0	120.8
996	Q	29.9	Very low	32	Very low	202 Å²	202	135.4 Å²	135.4	94%	0.944	77%	0.774	S	S	*	*			trans	70.8	172.8	157.5	-54.7	-175.5	3.2	0	0	119.7
997	A	32.3	Very low	31.9	Very low	87 Å²	87	136.1 Å²	136.1	72%	0.719	78%	0.78	S	S	*	*				-174.3	-176.4	-75.3	0	0	0	0	0	111.4
998	V	30.7	Very low	31.8	Very low	124 Å²	124	132.2 Å²	132.2	75%	0.752	78%	0.775	S	S	*	*			trans	82.3	98.4	154	173.5	0	0	0	0	120.4
999	T	28.8	Very low	31.8	Very low	123 Å²	123	131.4 Å²	131.4	76%	0.755	77%	0.774	S	S	*	*			trans	75.6	141.6	133.9	63.5	0	0	0	0	126.6
1000	V	28	Very low	31.8	Very low	125 Å²	125	130.6 Å²	130.6	76%	0.758	78%	0.775	S	S	*	*			trans	90.7	92.2	132	161	0	0	0	0	122.5
1001	S	27.3	Very low	31.7	Very low	102 Å²	102	131.4 Å²	131.4	71%	0.713	78%	0.781	S	S	*	*				85.2	162.8	125.4	84.2	0	0	0	0	123.4
1002	R	27.8	Very low	31.9	Very low	236 Å²	236	133.5 Å²	133.5	89%	0.891	78%	0.783	S	S	*	*			trans	78.9	103.7	162.3	-73.9	-172	172.9	-157.3	-2.7	121
1003	Q	27.3	Very low	31.8	Very low	179 Å²	179	130.7 Å²	130.7	84%	0.836	78%	0.778	S	S	*	*			trans	-56.1	172.7	134.1	-72.3	-176.9	-19.5	0	0	112.1
1004	P	50.6	Low	31	Very low	120 Å²	120	136 Å²	136	78%	0.779	78%	0.782	S	S	*	*			cis	-115.3	-133.8	-3.6	22.5	3.8	0	0	0	109.3
1005	S	27.3	Very low	31	Very low	94 Å²	94	135.1 Å²	135.1	66%	0.657	78%	0.776	S	S	*	*			cis	-161.4	144.7	1.8	54	0	0	0	0	114.1
1006	L	31.7	Very low	30.9	Very low	151 Å²	151	135.5 Å²	135.5	79%	0.791	78%	0.78	S	S	*	*			trans	14.2	123.1	138.1	-62.8	161.4	0	0	0	119.5
1007	N	28.8	Very low	31.1	Very low	155 Å²	155	133.5 Å²	133.5	83%	0.829	78%	0.775	S	S	*	*				175.9	143.6	113.6	-84.2	-23.3	0	0	0	109
1008	A	28.7	Very low	31.1	Very low	78 Å²	78	138.3 Å²	138.3	65%	0.645	78%	0.78	S	S	*	*			cis	113	108.2	15.3	0	0	0	0	0	113.2
1009	C	30	Very low	31.3	Very low	112 Å²	112	143.8 Å²	143.8	76%	0.757	79%	0.787	S	S	*	*			trans	71.9	143.8	153.8	-60.5	0	0	0	0	121.9
1010	N	29	Very low	31.6	Very low	156 Å²	156	144.4 Å²	144.4	83%	0.834	79%	0.79	S	S	*	*			trans	73.2	149	153.1	-61.7	-16.3	0	0	0	118.2
1011	S	30	Very low	32.6	Very low	111 Å²	111	144.2 Å²	144.2	78%	0.776	79%	0.792	S	S	*	*			cis	-150.5	168.9	-0.5	36.8	0	0	0	0	113
1012	L	32.1	Very low	32.8	Very low	155 Å²	155	144.7 Å²	144.7	81%	0.812	80%	0.795	S	S	*	*			trans	-65.1	161.6	170	-56.4	110.5	0	0	0	111.5
1013	T	32.3	Very low	33.2	Very low	123 Å²	123	141.7 Å²	141.7	76%	0.755	80%	0.796	S	S	*	*				-179	159	68.8	42.2	0	0	0	0	112.9
1014	R	35.1	Very low	33.5	Very low	235 Å²	235	141.3 Å²	141.3	89%	0.887	79%	0.791	S	S	*	*			trans	42.1	159.1	143.1	-79.3	-169.7	166.7	-164.8	-3.5	122.7
1015	S	31.8	Very low	33.8	Very low	102 Å²	102	140.8 Å²	140.8	71%	0.713	79%	0.788	S	S	*	*			cis	175.5	138.4	-32.7	54.4	0	0	0	0	110.5
1016	G	30.3	Very low	34	Very low	76 Å²	76	142.3 Å²	142.3	78%	0.784	79%	0.789	S	S	*	*			trans	136.4	110.8	167.2	0	0	0	0	0	113
1017	L	34.3	Very low	34.1	Very low	160 Å²	160	140.8 Å²	140.8	84%	0.838	79%	0.786	S	S	*	*			cis	91.9	99.9	44.2	-166.8	106	0	0	0	114.1
1018	K	32.1	Very low	35.5	Very low	187 Å²	187	139 Å²	139	81%	0.813	78%	0.782	S	S	*	*			trans	173.1	154.7	130.6	-98.5	166.7	-175.3	177.9	0	116
1019	R	33.9	Very low	36.7	Very low	240 Å²	240	141.1 Å²	141.1	91%	0.906	79%	0.79	S	S	*	*			trans	81.5	132.3	160.3	-73.7	171.5	176	159.7	-2	120.6
1020	T	35	Very low	37	Very low	135 Å²	135	144.1 Å²	144.1	83%	0.828	79%	0.79	S	S	*	*			trans	-114.8	166.9	164.3	56.4	0	0	0	0	108.2
1021	P	50	Low	37.8	Very low	121 Å²	121	142.1 Å²	142.1	79%	0.786	79%	0.786	S	S	*	*				-139.7	141.7	81.2	32.9	-13.8	0	0	0	113.6
1022	S	31.9	Very low	38	Very low	112 Å²	112	140 Å²	140	78%	0.783	77%	0.77	S	S	*	*				78.2	113	85.5	-161.4	0	0	0	0	116.4
1023	L	34.2	Very low	37.9	Very low	174 Å²	174	141.8 Å²	141.8	91%	0.911	77%	0.772	S	S	*	*			trans	-166.1	134.4	137.7	-108.7	165.2	0	0	0	109.7
1024	K	35.2	Very low	38.3	Very low	170 Å²	170	139.9 Å²	139.9	74%	0.739	77%	0.769	S	S	*	*			trans	-160.5	156.2	176.7	-122.6	-162.7	-179.6	-159.4	0	109.6
1025	P	56	Low	38.6	Very low	110 Å²	110	134.9 Å²	134.9	71%	0.714	77%	0.767	S	S	*	*				-133	-172.6	93.1	44.2	-34.6	0	0	0	111.2
1026	D	31.5	Very low	38.6	Very low	126 Å²	126	138.2 Å²	138.2	67%	0.674	78%	0.776	S	S	*	*			cis	-146.1	-160.7	-3.2	-141.4	-34.3	0	0	0	112.6
1027	V	33.8	Very low	38.9	Very low	118 Å²	118	139.7 Å²	139.7	72%	0.715	77%	0.774	S	S	*	*			trans	-154	-164.4	169	-103.2	0	0	0	0	106.8
1028	P	57.9	Low	38.6	Very low	117 Å²	117	139 Å²	139	76%	0.76	78%	0.777	S	S	*	*			cis	-120.9	-152.5	-7.7	47.5	-31.2	0	0	0	110.2
1029	P	55.2	Low	38.6	Very low	124 Å²	124	135.5 Å²	135.5	81%	0.805	78%	0.776	S	S	*	*			cis	-124.9	-177.1	-13	33.3	-12.3	0	0	0	116.2
1030	K	35.1	Very low	38.4	Very low	174 Å²	174	132.8 Å²	132.8	76%	0.757	78%	0.776	S	S	*	*			trans	-110.7	179	-168.3	-122.3	176	-173.2	178.6	0	110.2
1031	P	46.8	Very low	38.2	Very low	115 Å²	115	135.7 Å²	135.7	75%	0.747	78%	0.777	S	S	*	*			cis	-137	168.1	47.8	43.2	-24.9	0	0	0	114.4
1032	S	33	Very low	38.1	Very low	65 Å²	65	135.4 Å²	135.4	46%	0.455	78%	0.775	S	S	.	*			cis	72.9	138.6	28.6	70.7	0	0	0	0	115.1
1033	F	30.9	Very low	38.3	Very low	193 Å²	193	136.6 Å²	136.6	85%	0.846	77%	0.772	S	S	*	*			cis	-147.3	172.5	30	-102.2	-85.7	0	0	0	113.7
1034	A	40.1	Very low	38.5	Very low	84 Å²	84	134.9 Å²	134.9	69%	0.694	76%	0.764	S	S	*	*			trans	-127.2	151.3	154	0	0	0	0	0	109.5
1035	P	42.4	Very low	38.6	Very low	130 Å²	130	131.1 Å²	131.1	84%	0.844	77%	0.765	S	S	*	*			trans	-106	158.1	172.4	37.4	-30.4	0	0	0	113.4
1036	L	31.1	Very low	37.4	Very low	172 Å²	172	131.8 Å²	131.8	90%	0.901	77%	0.771	S	S	*	*			trans	-112.3	169.5	170.2	-105.6	167.8	0	0	0	110.7
1037	S	36	Very low	37.6	Very low	106 Å²	106	135.8 Å²	135.8	74%	0.741	80%	0.8	S	S	*	*			trans	-80.5	158.7	-173.1	53.6	0	0	0	0	114.9
1038	T	29.8	Very low	37.8	Very low	147 Å²	147	136.7 Å²	136.7	90%	0.902	80%	0.804	S	S	*	*			trans	-136.8	152.4	160.1	45.7	0	0	0	0	111.2
1039	S	31.1	Very low	36.8	Very low	112 Å²	112	137.7 Å²	137.7	78%	0.783	81%	0.807	S	S	*	*			trans	-94.2	157.8	-176.2	174.9	0	0	0	0	112.5
1040	M	29.4	Very low	35.7	Very low	183 Å²	183	138.4 Å²	138.4	90%	0.901	81%	0.807	S	S	*	*			trans	-132.2	152.5	160.3	-64.1	-169.6	84.7	0	0	110.5
1041	K	32.1	Very low	35.8	Very low	197 Å²	197	136.4 Å²	136.4	86%	0.857	81%	0.81	S	S	*	*			trans	-124.1	155	170.3	-96	-171.5	172.6	-173.9	0	109.3
1042	P	47.4	Very low	35.1	Very low	115 Å²	115	137.7 Å²	137.7	75%	0.747	81%	0.813	S	S	*	*			trans	-86.1	159.2	-175.9	35.9	-36.5	0	0	0	112.9
1043	N	35.5	Very low	35.2	Very low	136 Å²	136	142.5 Å²	142.5	73%	0.727	84%	0.837	S	S	*	*			trans	-167.7	154.7	131.4	-120.5	44.1	0	0	0	113.1
1044	D	38.1	Very low	35.5	Very low	138 Å²	138	138.9 Å²	138.9	74%	0.738	84%	0.837	S	S	*	*			trans	69.4	116.5	151.5	-54.3	-35.4	0	0	0	124.4
1045	A	37.1	Very low	35.2	Very low	91 Å²	91	143.2 Å²	143.2	75%	0.752	85%	0.848	S	S	*	*			trans	82.3	128.5	133.3	0	0	0	0	0	122.9
1046	C	30.6	Very low	34.6	Very low	125 Å²	125	144.3 Å²	144.3	85%	0.845	85%	0.848	S	S	*	*			trans	62.6	140.9	165	-60.4	0	0	0	0	117.3
1047	T	36.9	Very low	34.9	Very low	209 Å²	209	141.7 Å²	141.7	100%	1.282	84%	0.843	S	S	*	*			cis	-140.6	0	11.2	-24	0	0	0	0	110.5

Retrieved 1,047 of 1,047 residues in 526.5 ms (Link to these results)

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