A0A096MDZ0_POEFO Loading...

Integrin, alpha 9

AlphaFold DB , UniProt , Accession A0A096MDZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,026 aa.

						>A0A096MDZ0_POEFO|A0A096MDZ0
MAPPLKHRTDVQQSFYVFLSISLACSYNIDLEHPLVFQGPSSSFFGYSVLEHFHDNTRWLIVGAPKANSTYSSSVRSPGAVFKCRVHSNPERRCTEMDLGRGNKPRESCGKTCQGDRDDEWMGVSLARQDRASGKILACAHRWKNVYYDSEHILPHGYCSIIPPTLQGRTMPLIPCYEDYKQKYGEEHGSCQAGIAGVFTEELVVMGAPGSYYWTGTVKVYNMTSDTFYSPNKDSIDSHRYSYLGYAVTAGHFSSPNAIDVAAGAPQHNGVGKVYIFKLEAGSLVKNFQASGKMMGSYFGSSLCAVDLNQDGLSDLLVGAPMHSQLRDEGQVSVYLSRGNGVMEENGVLTGDSAFNAHFGESIAAIGDIDDDGYQDVAIGAPKEDDYGGAVYIYHGDATGITRKYSMKLSGRSVSPGLQMFGQSISGKVDMDGNGYADVTIGAFMADSVVLLRSRPVITVDVSIFLPVSINISVPQCHEGHQNLNCFNITVCMHFRGREVPGEIELLYNLTADVDKRQKSQPSRIYFTHTGSQISQMNQQLSLEINREKCQRYTAYVKKEVKDVFTAITFEVAYSLGKHVTTGQQDRELPALTPVLRWRKGNKIAVKNETWFEKNCLSDDCAADLRLHGKLLLSGLHVRPHLALGAVRNVSLNVTISNSGDDAYDTNIYFNFSREVLYINFWQKEEKGISCGLVDLDFLKCSVGFPFMRAQTKYHFAVIFDTTQVSGENDTLQFLVQAKSANPEHKLSDNSLDLSISLIHETDTTITGVVTPGSFSYGNSIDASHFIQLEDMKCNFQPLNLTFQAINKGPSRLPGSTVDIRIPNRLAGNGPDMFHVVETQVSDGRGNCTPHRNLMPCTIPQDKENIFHSIFSFFTKSGRKVLDCDRPGRACMVISCSLGPQLKDEALNIDLKLLLNTEILKIDSSSVIQFVTRGSVQVNHRAIEVPNGLPEDISLVFEALHSQEPRGYVVGWIIAISLLVGILIFLLLAVLLWKMGFFRRHYREIIEAEKNRKDSDESWDWMDKDH
					

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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	38.7	Very low	30.3	Very low	256 Å²	256	159.1 Å²	159.1	100%	1.261	84%	0.84	S	S	*	*				0	157.3	0	-71.8	161.1	174.5	0	0	108
2	A	23.4	Very low	30	Very low	96 Å²	96	160.4 Å²	160.4	79%	0.793	84%	0.838	S	S	*	*			trans	-142.6	176.4	-156	0	0	0	0	0	111.7
3	P	35.8	Very low	29.8	Very low	114 Å²	114	159.5 Å²	159.5	74%	0.74	83%	0.827	S	S	*	*			cis	-126.2	173.1	-13.1	29	-9.2	0	0	0	113.6
4	P	39.9	Very low	29.8	Very low	122 Å²	122	154 Å²	154	79%	0.792	81%	0.809	S	S	*	*			trans	-79.7	153.6	165.1	34	-34.7	0	0	0	112.1
5	L	28.3	Very low	29.8	Very low	174 Å²	174	155.3 Å²	155.3	91%	0.911	81%	0.806	S	S	*	*			trans	-110.9	146.5	169.8	-98.8	163.7	0	0	0	111.4
6	K	28.5	Very low	29.6	Very low	195 Å²	195	157.9 Å²	157.9	85%	0.848	80%	0.804	S	S	*	*			trans	-84	158.6	-155.9	-66.1	177.5	177.6	176.9	0	114.4
7	H	28	Very low	29.5	Very low	184 Å²	184	154.9 Å²	154.9	85%	0.852	80%	0.795	S	S	*	*			trans	-42.1	144	152.8	-85.3	-86.7	0	0	0	112.4
8	R	25.3	Very low	29.4	Very low	244 Å²	244	156.8 Å²	156.8	92%	0.921	80%	0.797	S	S	*	*			trans	-125.1	128.5	145.9	-160.4	174.9	-167.8	171.3	3.1	106.8
9	T	29.3	Very low	29.3	Very low	99 Å²	99	155.6 Å²	155.6	61%	0.607	79%	0.792	S	S	*	*			trans	-84.4	170.3	176.6	54.9	0	0	0	0	110.6
10	D	28.6	Very low	29.2	Very low	137 Å²	137	153.4 Å²	153.4	73%	0.733	79%	0.791	S	S	*	*			trans	61.1	93.7	158.8	-45.3	-50.9	0	0	0	117.8
11	V	27.9	Very low	29.1	Very low	129 Å²	129	151.9 Å²	151.9	78%	0.782	78%	0.783	S	S	*	*				-136.9	115.8	101.1	-175.7	0	0	0	0	108.8	Q13	V11-Q13 VanDerWaalsContact C-N 3.31Å; V11-Q13 HydrophobicContact CG1-CG 3.92Å; V11-Q13 PolarHBondContact O-N 2.75Å
12	Q	26.4	Very low	28.6	Very low	175 Å²	175	144.9 Å²	144.9	82%	0.818	76%	0.759	S	S	*	*			trans	-78.8	81.2	170.7	-171.4	174.7	7.6	0	0	109.2	S14	Q12-S14 VanDerWaalsContact C-N 3.31Å; Q12-S14 PolarHBondContact O-N 3.3Å
13	Q	27.2	Very low	29.1	Very low	149 Å²	149	147.1 Å²	147.1	70%	0.696	76%	0.757	S	S	*	*			trans	-69.6	90.3	172	-82.4	-166.8	-25.5	0	0	110	V11 F15	V11-Q13 VanDerWaalsContact C-N 3.31Å; V11-Q13 HydrophobicContact CG1-CG 3.92Å; V11-Q13 PolarHBondContact O-N 2.75Å; Q13-F15 VanDerWaalsContact C-N 3.31Å; Q13-F15 PolarHBondContact O-N 2.78Å
14	S	29.4	Very low	29.2	Very low	82 Å²	82	143.1 Å²	143.1	57%	0.573	73%	0.734	S	S	*	*			trans	-61.5	94.2	163	-63.2	0	0	0	0	109	Q12 Y16	Q12-S14 VanDerWaalsContact C-N 3.31Å; Q12-S14 PolarHBondContact O-N 3.3Å; S14-Y16 PolarHBondContact O-N 3.17Å
15	F	30	Very low	29.7	Very low	173 Å²	173	142 Å²	142	76%	0.759	73%	0.728	S	S	*	*			trans	-62.7	89.5	164.6	-103.7	-97.2	0	0	0	108.2	Q13 V17	Q13-F15 VanDerWaalsContact C-N 3.31Å; Q13-F15 PolarHBondContact O-N 2.78Å; F15-V17 PolarHBondContact O-N 2.71Å
16	Y	27	Very low	31.3	Very low	197 Å²	197	135 Å²	135	77%	0.773	69%	0.693	S	S	*	*			trans	-64.3	87	156.8	-84.3	-85.4	0	0	0	107	S14 F18	S14-Y16 PolarHBondContact O-N 3.17Å; Y16-F18 PolarHBondContact O-N 3.03Å
17	V	28	Very low	33.7	Very low	107 Å²	107	127 Å²	127	65%	0.648	66%	0.658	S	S	*	*			trans	-57.8	100.3	157.3	177.4	0	0	0	0	105	F15 L19	F15-V17 PolarHBondContact O-N 2.71Å; V17-L19 HydrophobicContact CG1-CD1 4.48Å; V17-L19 PolarHBondContact O-N 3.39Å
18	F	27.5	Very low	36.7	Very low	190 Å²	190	118.2 Å²	118.2	83%	0.833	62%	0.617	S	S	*	*			trans	-62.7	90	160.5	-99.2	-90	0	0	0	105.8	Y16 S20	Y16-F18 PolarHBondContact O-N 3.03Å; F18-S20 PolarHBondContact O-N 2.75Å
19	L	27.2	Very low	39.9	Very low	134 Å²	134	106.7 Å²	106.7	70%	0.702	57%	0.574	S	S	*	*			trans	-65.6	92.1	167.4	-160.2	79.6	0	0	0	104.9	V17 I21	V17-L19 HydrophobicContact CG1-CD1 4.48Å; V17-L19 PolarHBondContact O-N 3.39Å; L19-I21 HydrophobicContact CD2-CD1 4.44Å; L19-I21 HydrophobicContact CD2-CG1 4.08Å; L19-I21 HydrophobicContact CG-CG1 4.37Å; L19-I21 PolarHBondContact O-N 2.69Å
20	S	26.8	Very low	42.8	Very low	110 Å²	110	102.2 Å²	102.2	77%	0.769	55%	0.546	S	S	*	.			trans	-67.8	80.2	173.4	53.8	0	0	0	0	107.1	F18 S22	F18-S20 PolarHBondContact O-N 2.75Å; S20-S22 PolarHBondContact O-N 2.81Å
21	I	27.8	Very low	45.8	Very low	123 Å²	123	97.7 Å²	97.7	63%	0.631	52%	0.522	S	S	*	.			trans	-62	94.1	166.5	-60.5	173	0	0	0	104.8	L19 L23	L19-I21 HydrophobicContact CD2-CD1 4.44Å; L19-I21 HydrophobicContact CD2-CG1 4.08Å; L19-I21 HydrophobicContact CG-CG1 4.37Å; L19-I21 PolarHBondContact O-N 2.69Å; I21-L23 PolarHBondContact O-N 3.36Å
22	S	29.4	Very low	48.7	Very low	108 Å²	108	98.6 Å²	98.6	76%	0.755	52%	0.517	S	S	*	.			trans	-62.8	89.1	163.6	49.6	0	0	0	0	106.4	S20 A24	S20-S22 PolarHBondContact O-N 2.81Å; S22-A24 PolarHBondContact O-N 2.72Å; S22-A24 VanDerWaalsContact O-N 3.13Å
23	L	32	Very low	51.7	Low	143 Å²	143	94.5 Å²	94.5	75%	0.749	50%	0.498	S	S	*	.			trans	-52	123.2	169.6	-77.7	108	0	0	0	106.9	I21 C25	I21-L23 PolarHBondContact O-N 3.36Å; L23-C25 VanDerWaalsContact C-N 3.31Å; L23-C25 PolarHBondContact O-N 2.57Å
24	A	39.1	Very low	54.8	Low	31 Å²	31	88.4 Å²	88.4	26%	0.256	47%	0.471	S	S	.	.			trans	-65	97	174.6	0	0	0	0	0	107.5	S22 S26 L31	S22-A24 PolarHBondContact O-N 2.72Å; S22-A24 VanDerWaalsContact O-N 3.13Å; A24-S26 PolarHBondContact O-N 2.71Å; A24-L31 HydrophobicContact CB-CD1 3.97Å
25	C	50.5	Low	57.9	Low	98 Å²	98	85.2 Å²	85.2	66%	0.662	45%	0.448	S	S	*	.			trans	-70.6	79.2	179.9	-71.1	0	0	0	0	109.8	L23	L23-C25 VanDerWaalsContact C-N 3.31Å; L23-C25 PolarHBondContact O-N 2.57Å
26	S	60.4	Low	61	Low	26 Å²	26	78.2 Å²	78.2	18%	0.182	42%	0.419	C	S	.	.			trans	-73.6	132.3	155.6	-175.5	0	0	0	0	109.2	A24 I29 M407	A24-S26 PolarHBondContact O-N 2.71Å; S26-I29 WeakPolarHBondContact CB-O 3.32Å; S26-I29 WeakPolarHBondContact OG-CA 2.94Å; S26-I29 WeakPolarHBondContact OG-CB 3.36Å; S26-I29 PolarHBondContact OG-N 2.69Å; S26-I29 PolarHBondContact OG-O 3.06Å; S26-M407 PolarHBondContact OG-SD 2.86Å; S26-M407 VanDerWaalsContact OG-SD 3.4Å
27	Y	79.8	Confident	64.3	Low	28 Å²	28	69 Å²	69	11%	0.11	38%	0.383	C	S	.	.	S	Bend	trans	-87.1	-59.4	177	149.6	-130.8	0	0	0	109.7	D370 H395 M407 V457 V595 L596 R597 W598	Y27-D370 HydrophobicContact CE1-CB 3.7Å; Y27-D370 WeakPolarHBondContact CE1-OD2 3.37Å; Y27-D370 PolarHBondContact OH-OD2 3.06Å; Y27-H395 AromaticContact CD1-NE2 3.68Å; Y27-H395 AromaticContact CE1-NE2 3.73Å; Y27-M407 VanDerWaalsContact N-CG 3.32Å; Y27-M407 PolarHBondContact N-SD 2.8Å; Y27-V457 WeakPolarHBondContact OH-CG1 3.33Å; Y27-V595 HydrophobicContact CD2-CG2 4.26Å; Y27-V595 HydrophobicContact CE2-CG2 3.92Å; Y27-V595 WeakPolarHBondContact O-CG1 3.42Å; Y27-L596 WeakPolarHBondContact CE2-O 3.34Å; Y27-R597 WeakPolarHBondContact OH-CA 3.46Å; Y27-W598 HydrophobicContact CD1-CB 3.99Å; Y27-W598 HydrophobicContact CD2-CB 4.01Å; Y27-W598 HydrophobicContact CE1-CB 3.64Å; Y27-W598 HydrophobicContact CE2-CB 3.69Å; Y27-W598 HydrophobicContact CG-CB 4.16Å; Y27-W598 VanDerWaalsContact CZ-CB 3.48Å; Y27-W598 PolarHBondContact OH-N 3.08Å
28	N	90.5	Very high	67.4	Low	0 Å²	0	70.9 Å²	70.9	0%	0	39%	0.385	C	S	.	.	S	Bend	trans	-126.2	4	-174.8	63.6	-37.5	0	0	0	114.3	I369 D370 M407 R455 V457 V595	N28-I369 VanDerWaalsContact ND2-C 3.27Å; N28-I369 WeakPolarHBondContact ND2-CD1 3.42Å; N28-I369 PolarHBondContact ND2-O 3.44Å; N28-D370 WeakPolarHBondContact ND2-CB 3.32Å; N28-M407 WeakPolarHBondContact OD1-CE 3.4Å; N28-M407 PolarHBondContact OD1-SD 2.65Å; N28-M407 VanDerWaalsContact OD1-SD 3.33Å; N28-R455 VanDerWaalsContact O-CB 3.3Å; N28-R455 WeakPolarHBondContact O-CB 3.48Å; N28-R455 WeakPolarHBondContact O-CG 3.31Å; N28-R455 PolarHBondContact O-N 2.9Å; N28-V457 HydrophobicContact CB-CG2 3.82Å; N28-V595 HydrophobicContact CB-CG2 3.83Å
29	I	92.6	Very high	70.7	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.01	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-97.6	135.3	172.1	-65.4	171.5	0	0	0	109.9	S26 L31 I369 I393 M407 L409 V439 L452	S26-I29 WeakPolarHBondContact CB-O 3.32Å; S26-I29 WeakPolarHBondContact OG-CA 2.94Å; S26-I29 WeakPolarHBondContact OG-CB 3.36Å; S26-I29 PolarHBondContact OG-N 2.69Å; S26-I29 PolarHBondContact OG-O 3.06Å; I29-L31 PolarHBondContact O-N 2.69Å; I29-I369 HydrophobicContact CD1-CD1 3.98Å; I29-I369 HydrophobicContact CG1-CD1 4.09Å; I29-I393 HydrophobicContact CD1-CD1 4.3Å; I29-I393 HydrophobicContact CD1-CG1 4.05Å; I29-M407 HydrophobicContact CB-SD 4.28Å; I29-M407 HydrophobicContact CD1-CE 3.78Å; I29-M407 HydrophobicContact CD1-SD 4.25Å; I29-M407 HydrophobicContact CG1-CE 3.98Å; I29-M407 HydrophobicContact CG1-SD 4.14Å; I29-L409 HydrophobicContact CD1-CD1 3.99Å; I29-V439 HydrophobicContact CD1-CG2 4.1Å; I29-L452 HydrophobicContact CG2-CB 3.59Å; I29-L452 HydrophobicContact CG2-CD1 4.06Å; I29-L452 HydrophobicContact CG2-CG 4.41Å
30	D	91.8	Very high	73.9	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.027	34%	0.341	C	S	.	.			trans	-74.6	122.6	175.9	-175.8	30.1	0	0	0	111.8	E32 H33 R453 R455 L592	D30-E32 WeakPolarHBondContact OD1-CB 3.31Å; D30-E32 PolarHBondContact OD1-N 3.35Å; D30-H33 IonicContact OD1-ND1 3.32Å; D30-H33 VanDerWaalsContact OD2-CB 3.23Å; D30-H33 WeakPolarHBondContact OD2-CB 3.24Å; D30-H33 IonicContact OD2-CG 2.64Å; D30-H33 PolarHBondContact OD2-N 2.69Å; D30-H33 VanDerWaalsContact OD2-N 3.08Å; D30-H33 IonicContact OD2-ND1 2.97Å; D30-H33 PolarHBondContact OD2-ND1 2.97Å; D30-R453 WeakPolarHBondContact CB-O 3.3Å; D30-R453 PolarHBondContact N-O 3.42Å; D30-R453 IonicContact OD2-NH2 2.83Å; D30-R455 HydrophobicContact CB-CG 4Å; D30-L592 HydrophobicContact CB-CD1 4.22Å; D30-L592 HydrophobicContact CB-CD2 3.68Å; D30-L592 VanDerWaalsContact OD2-CD2 3.31Å; D30-L592 WeakPolarHBondContact OD2-CD2 3.34Å
31	L	90.6	Very high	77.1	Confident	42 Å²	42	59.3 Å²	59.3	22%	0.22	34%	0.341	C	S	.	.			trans	-109	-5.9	172.8	-64.3	-176.4	0	0	0	112.6	A24 I29 L409 V414 L452	A24-L31 HydrophobicContact CB-CD1 3.97Å; I29-L31 PolarHBondContact O-N 2.69Å; L31-L409 HydrophobicContact CD1-CD2 4.48Å; L31-L409 HydrophobicContact CD2-CD2 4.18Å; L31-V414 HydrophobicContact CD2-CG2 3.92Å; L31-L452 HydrophobicContact CD2-CD1 4.07Å; L31-L452 HydrophobicContact CD2-CD2 4.29Å
32	E	88	Confident	80.3	Confident	147 Å²	147	58 Å²	58	69%	0.687	34%	0.343	S	S	*	.	S	Bend	trans	-84.1	-32.9	-179	-64.2	-178.7	174.8	0	0	112	D30 P34	D30-E32 WeakPolarHBondContact OD1-CB 3.31Å; D30-E32 PolarHBondContact OD1-N 3.35Å; E32-P34 WeakPolarHBondContact O-CD 3.15Å
33	H	89.7	Confident	83.5	Confident	90 Å²	90	53 Å²	53	42%	0.417	31%	0.308	S	S	.	.	S	Bend	trans	-123.6	52.9	-176.9	-42.2	81	0	0	0	114	D30	D30-H33 IonicContact OD1-ND1 3.32Å; D30-H33 VanDerWaalsContact OD2-CB 3.23Å; D30-H33 WeakPolarHBondContact OD2-CB 3.24Å; D30-H33 IonicContact OD2-CG 2.64Å; D30-H33 PolarHBondContact OD2-N 2.69Å; D30-H33 VanDerWaalsContact OD2-N 3.08Å; D30-H33 IonicContact OD2-ND1 2.97Å; D30-H33 PolarHBondContact OD2-ND1 2.97Å
34	P	92.3	Very high	86.6	Confident	21 Å²	21	48.3 Å²	48.3	14%	0.136	28%	0.281	C	S	.	.			trans	-66.1	138.1	-176.9	28.3	-35.8	0	0	0	113.3	E32 V36 R92 V414 V450 L452	E32-P34 WeakPolarHBondContact O-CD 3.15Å; P34-V36 HydrophobicContact CB-CG2 4.45Å; P34-V36 PolarHBondContact O-N 3.28Å; P34-R92 PolarHBondContact O-NH1 2.73Å; P34-R92 PolarHBondContact O-NH2 3.37Å; P34-V414 HydrophobicContact CB-CG1 4Å; P34-V414 HydrophobicContact CG-CG1 4.28Å; P34-V450 HydrophobicContact CB-CG1 3.97Å; P34-L452 HydrophobicContact CB-CD2 3.71Å
35	L	94.1	Very high	89.5	Confident	14 Å²	14	46.9 Å²	46.9	7%	0.073	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	81.3	177.5	-61	177.6	0	0	0	110	F37 V86 L451 L589	L35-F37 HydrophobicContact CB-CE2 3.83Å; L35-F37 HydrophobicContact CB-CZ 4.5Å; L35-F37 VanDerWaalsContact O-CD2 3.23Å; L35-F37 WeakPolarHBondContact O-CD2 3.49Å; L35-F37 WeakPolarHBondContact O-CE2 3.23Å; L35-V86 HydrophobicContact CD1-CG1 4.25Å; L35-L451 HydrophobicContact CB-CB 4.07Å; L35-L451 HydrophobicContact CB-CG 4.46Å; L35-L451 WeakPolarHBondContact CB-O 3.45Å; L35-L451 HydrophobicContact CD1-CD2 3.84Å; L35-L451 HydrophobicContact CD1-CG 4.23Å; L35-L451 PolarHBondContact N-O 3.11Å; L35-L451 PolarHBondContact O-N 3.46Å; L35-L589 HydrophobicContact CD1-CD2 3.74Å; L35-L589 HydrophobicContact CD2-CD2 3.89Å; L35-L589 HydrophobicContact CG-CD2 4.41Å
36	V	95	Very high	91.7	Very high	27 Å²	27	42.2 Å²	42.2	16%	0.164	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126	174.4	-169.8	0	0	0	0	110.4	P34 R92 V449 V450	P34-V36 HydrophobicContact CB-CG2 4.45Å; P34-V36 PolarHBondContact O-N 3.28Å; V36-R92 WeakPolarHBondContact O-CD 3.35Å; V36-R92 PolarHBondContact O-NH1 3.38Å; V36-V449 WeakPolarHBondContact CA-O 3.06Å; V36-V450 HydrophobicContact CG1-CG2 4.45Å; V36-V450 HydrophobicContact CG2-CG1 4.21Å; V36-V450 HydrophobicContact CG2-CG2 4.13Å
37	F	96.4	Very high	93.5	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.6	173.3	-57.7	-107.6	0	0	0	109.5	L35 L60 C84 R92 S448 V449 L451	L35-F37 HydrophobicContact CB-CE2 3.83Å; L35-F37 HydrophobicContact CB-CZ 4.5Å; L35-F37 VanDerWaalsContact O-CD2 3.23Å; L35-F37 WeakPolarHBondContact O-CD2 3.49Å; L35-F37 WeakPolarHBondContact O-CE2 3.23Å; F37-L60 HydrophobicContact CD2-CD1 3.64Å; F37-L60 HydrophobicContact CE2-CD1 3.33Å; F37-L60 HydrophobicContact CG-CD1 4.43Å; F37-L60 HydrophobicContact CZ-CD1 3.89Å; F37-C84 HydrophobicContact CD1-CB 3.67Å; F37-C84 HydrophobicContact CE1-CB 3.87Å; F37-C84 HydrophobicContact CG-CB 4.34Å; F37-R92 HydrophobicContact CD1-CB 3.79Å; F37-R92 VanDerWaalsContact CD1-O 3.28Å; F37-R92 WeakPolarHBondContact CD1-O 3.47Å; F37-R92 HydrophobicContact CE1-CB 4Å; F37-R92 HydrophobicContact CG-CB 4.35Å; F37-S448 WeakPolarHBondContact O-CA 3.4Å; F37-V449 HydrophobicContact CB-CG1 3.82Å; F37-V449 HydrophobicContact CD2-CG1 4.34Å; F37-V449 HydrophobicContact CG-CG1 4.44Å; F37-V449 PolarHBondContact N-O 2.04Å; F37-V449 PolarHBondContact O-N 3.35Å; F37-L451 HydrophobicContact CE2-CB 4.5Å
38	Q	95	Very high	94.4	Very high	145 Å²	145	43.3 Å²	43.3	68%	0.678	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	142.4	-176.3	-66.2	-175.5	-30	0	0	111.9
39	G	95.1	Very high	94.7	Very high	22 Å²	22	43.9 Å²	43.9	23%	0.227	24%	0.243	C	C	.	.			trans	-105.5	-171.5	176.2	0	0	0	0	0	114.1	D447	G39-D447 PolarHBondContact N-O 3.35Å
40	P	95.6	Very high	94.9	Very high	61 Å²	61	44.6 Å²	44.6	40%	0.396	25%	0.247	S	C	.	.	S	Bend	trans	-65	139.9	174.2	-17.1	30.7	0	0	0	111.5	S43 F82 D447	P40-S43 WeakPolarHBondContact O-CB 3.21Å; P40-S43 PolarHBondContact O-N 2.67Å; P40-S43 PolarHBondContact O-OG 3.19Å; P40-F82 HydrophobicContact CG-CE1 4.29Å; P40-F82 HydrophobicContact CG-CZ 3.79Å; P40-D447 VanDerWaalsContact O-CG 3.29Å
41	S	94.3	Very high	95.1	Very high	108 Å²	108	44.3 Å²	44.3	76%	0.755	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	140.5	-178.2	-47.7	0	0	0	0	113.1	S43 D447	S41-S43 PolarHBondContact O-N 3.44Å; S41-D447 WeakPolarHBondContact CA-OD2 3.06Å
42	S	94.6	Very high	95.3	Very high	97 Å²	97	42.3 Å²	42.3	68%	0.678	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	19.8	-175.7	-56.7	0	0	0	0	115.4	D447	S42-D447 PolarHBondContact N-OD2 3.27Å
43	S	96.6	Very high	95.4	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.021	21%	0.212	C	C	.	.	S	Bend	trans	-88.6	-9.6	179.5	70.3	0	0	0	0	114.2	P40 S41 F45 A64 K66 A67 D447	P40-S43 WeakPolarHBondContact O-CB 3.21Å; P40-S43 PolarHBondContact O-N 2.67Å; P40-S43 PolarHBondContact O-OG 3.19Å; S41-S43 PolarHBondContact O-N 3.44Å; S43-F45 VanDerWaalsContact C-N 3.27Å; S43-F45 WeakPolarHBondContact OG-CB 2.86Å; S43-F45 PolarHBondContact OG-N 3.42Å; S43-A64 CarbonylContact O-C 3.26Å; S43-A64 WeakPolarHBondContact O-CA 3.4Å; S43-K66 CarbonylContact O-C 3.49Å; S43-K66 WeakPolarHBondContact O-CA 3.47Å; S43-K66 PolarHBondContact O-N 3.49Å; S43-A67 PolarHBondContact O-N 3.17Å; S43-D447 PolarHBondContact N-OD1 2.91Å; S43-D447 PolarHBondContact OG-OD1 3.03Å
44	F	97.7	Very high	95.5	Very high	44 Å²	44	34.9 Å²	34.9	19%	0.193	20%	0.2	C	C	.	.			trans	60.2	37.4	-169.1	-70.2	5	0	0	0	111.5	G46 Y47 P65 K66 F444 D447	F44-G46 PolarHBondContact O-N 2.96Å; F44-Y47 HydrophobicContact CD2-CD2 4.43Å; F44-Y47 VanDerWaalsContact O-CB 3.25Å; F44-Y47 WeakPolarHBondContact O-CB 3.17Å; F44-Y47 PolarHBondContact O-N 3.5Å; F44-Y47 VanDerWaalsContact O-N 3.08Å; F44-P65 WeakPolarHBondContact O-CD 3.22Å; F44-K66 HydrophobicContact CD1-CD 4.09Å; F44-K66 HydrophobicContact CD2-CD 3.82Å; F44-K66 HydrophobicContact CD2-CG 4.23Å; F44-K66 HydrophobicContact CE1-CD 4.17Å; F44-K66 HydrophobicContact CE2-CD 3.91Å; F44-K66 VanDerWaalsContact CE2-CE 3.44Å; F44-K66 HydrophobicContact CG-CD 3.94Å; F44-K66 HydrophobicContact CG-CG 4.33Å; F44-K66 HydrophobicContact CZ-CD 4.11Å; F44-F444 HydrophobicContact CB-CD2 3.89Å; F44-F444 AromaticContact CD1-CD2 3.81Å; F44-F444 HydrophobicContact CD1-CD2 3.81Å; F44-F444 HydrophobicContact CD1-CE2 4.16Å; F44-F444 AromaticContact CD2-CD2 3.75Å; F44-F444 HydrophobicContact CD2-CD2 3.75Å; F44-F444 AromaticContact CD2-CE2 3.79Å; F44-F444 HydrophobicContact CD2-CE2 3.79Å; F44-F444 HydrophobicContact CE1-CD2 4.16Å; F44-F444 HydrophobicContact CE1-CE2 4.05Å; F44-F444 HydrophobicContact CE2-CD2 4.1Å; F44-F444 AromaticContact CE2-CE2 3.66Å; F44-F444 HydrophobicContact CE2-CE2 3.66Å; F44-F444 AromaticContact CG-CD2 3.57Å; F44-F444 HydrophobicContact CG-CD2 3.57Å; F44-F444 HydrophobicContact CG-CE2 4.02Å; F44-F444 HydrophobicContact CZ-CD2 4.27Å; F44-F444 AromaticContact CZ-CE2 3.77Å; F44-F444 HydrophobicContact CZ-CE2 3.77Å; F44-D447 PolarHBondContact N-OD1 2.72Å
45	F	98.4	Very high	95.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	124.2	175.2	176.6	-84.6	0	0	0	110.3	S43 V62 A64 F82 C94 F444 D447 S448 V449	S43-F45 VanDerWaalsContact C-N 3.27Å; S43-F45 WeakPolarHBondContact OG-CB 2.86Å; S43-F45 PolarHBondContact OG-N 3.42Å; F45-V62 HydrophobicContact CD1-CG1 3.87Å; F45-V62 HydrophobicContact CD2-CB 4.26Å; F45-V62 HydrophobicContact CD2-CG1 3.74Å; F45-V62 HydrophobicContact CE1-CB 4.46Å; F45-V62 HydrophobicContact CE1-CG1 3.83Å; F45-V62 HydrophobicContact CE1-CG2 4.44Å; F45-V62 HydrophobicContact CE2-CB 3.78Å; F45-V62 HydrophobicContact CE2-CG1 3.67Å; F45-V62 HydrophobicContact CE2-CG2 4.29Å; F45-V62 HydrophobicContact CG-CG1 3.84Å; F45-V62 HydrophobicContact CZ-CB 3.89Å; F45-V62 HydrophobicContact CZ-CG1 3.71Å; F45-V62 HydrophobicContact CZ-CG2 3.91Å; F45-A64 HydrophobicContact CB-CB 4.02Å; F45-A64 HydrophobicContact CD2-CB 4.33Å; F45-F82 HydrophobicContact CD2-CB 4.37Å; F45-F82 AromaticContact CD2-CD2 3.87Å; F45-F82 HydrophobicContact CD2-CD2 3.87Å; F45-F82 HydrophobicContact CD2-CE2 4.4Å; F45-F82 HydrophobicContact CD2-CG 4.11Å; F45-F82 HydrophobicContact CE2-CB 3.74Å; F45-F82 HydrophobicContact CE2-CD1 4.45Å; F45-F82 HydrophobicContact CE2-CD2 4.09Å; F45-F82 AromaticContact CE2-CG 3.84Å; F45-F82 HydrophobicContact CE2-CG 3.84Å; F45-C94 HydrophobicContact CE2-CB 4.22Å; F45-C94 HydrophobicContact CZ-CB 4.17Å; F45-F444 WeakPolarHBondContact O-CA 3.36Å; F45-D447 HydrophobicContact CB-CB 4.19Å; F45-D447 WeakPolarHBondContact CD1-O 3.12Å; F45-D447 PolarHBondContact N-OD1 2.8Å; F45-D447 CarbonylContact O-C 3.39Å; F45-D447 VanDerWaalsContact O-C 3.26Å; F45-D447 WeakPolarHBondContact O-CA 3.19Å; F45-S448 PolarHBondContact O-N 3.39Å; F45-S448 VanDerWaalsContact O-N 3.13Å; F45-V449 HydrophobicContact CE1-CB 4.41Å; F45-V449 HydrophobicContact CE1-CG1 3.9Å; F45-V449 HydrophobicContact CZ-CG1 4.36Å
46	G	97.6	Very high	94.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	10.4	-171	0	0	0	0	0	113.6	F44 G63 S424 G442	F44-G46 PolarHBondContact O-N 2.96Å; G46-G63 PolarHBondContact N-O 3.2Å; G46-G63 VanDerWaalsContact N-O 3.07Å; G46-S424 PolarHBondContact O-OG 2.96Å; G46-G442 WeakPolarHBondContact O-CA 3.15Å
47	Y	98.3	Very high	94.5	Very high	67 Å²	67	45.9 Å²	45.9	26%	0.263	26%	0.258	S	S	.	.	S	Bend	trans	-64.3	-42.9	172.8	-175	-89.9	0	0	0	111.4	F44 G63 P65 V124 S424 F444	F44-Y47 HydrophobicContact CD2-CD2 4.43Å; F44-Y47 VanDerWaalsContact O-CB 3.25Å; F44-Y47 WeakPolarHBondContact O-CB 3.17Å; F44-Y47 PolarHBondContact O-N 3.5Å; F44-Y47 VanDerWaalsContact O-N 3.08Å; Y47-G63 PolarHBondContact N-O 3.03Å; Y47-P65 HydrophobicContact CD1-CG 3.74Å; Y47-P65 HydrophobicContact CG-CG 3.82Å; Y47-V124 HydrophobicContact CD1-CG2 4.29Å; Y47-V124 WeakPolarHBondContact CD1-O 3.4Å; Y47-V124 HydrophobicContact CE1-CB 4.49Å; Y47-V124 HydrophobicContact CE1-CG2 3.57Å; Y47-V124 WeakPolarHBondContact CE1-O 3.46Å; Y47-S424 VanDerWaalsContact O-CB 3.28Å; Y47-S424 WeakPolarHBondContact O-CB 3.22Å; Y47-S424 PolarHBondContact O-OG 2.92Å; Y47-F444 HydrophobicContact CD2-CD1 4.33Å; Y47-F444 HydrophobicContact CD2-CD2 4.11Å; Y47-F444 HydrophobicContact CD2-CE2 4.36Å; Y47-F444 HydrophobicContact CD2-CG 4.08Å
48	S	98.3	Very high	94.3	Very high	11 Å²	11	47.7 Å²	47.7	8%	0.077	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.1	164	65.6	0	0	0	0	109.8	G63 G123 L126 S424	S48-G63 PolarHBondContact O-N 3.02Å; S48-G123 PolarHBondContact OG-O 2.87Å; S48-L126 WeakPolarHBondContact OG-CD1 3.41Å; S48-L126 WeakPolarHBondContact OG-CG 3.34Å; S48-S424 WeakPolarHBondContact CA-OG 3.45Å
49	V	97.9	Very high	94.3	Very high	11 Å²	11	43.5 Å²	43.5	7%	0.067	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147	-179.2	-59.4	0	0	0	0	109.3	I61 T440 V449	V49-I61 CarbonylContact C-O 3.57Å; V49-T440 HydrophobicContact CB-CG2 3.95Å; V49-T440 HydrophobicContact CG1-CG2 4.47Å; V49-T440 HydrophobicContact CG2-CG2 4.07Å; V49-V449 HydrophobicContact CB-CG2 4.31Å; V49-V449 HydrophobicContact CG1-CB 4.27Å; V49-V449 HydrophobicContact CG1-CG2 3.58Å
50	L	96.6	Very high	94.3	Very high	17 Å²	17	42.5 Å²	42.5	9%	0.089	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	129.3	-178.1	-179.4	68.4	0	0	0	110.9	I61 L126 R128 I136	L50-I61 HydrophobicContact CB-CB 4.31Å; L50-I61 PolarHBondContact N-O 3.32Å; L50-I61 PolarHBondContact O-N 3.41Å; L50-L126 HydrophobicContact CB-CB 3.98Å; L50-L126 HydrophobicContact CB-CD1 4.23Å; L50-L126 HydrophobicContact CD2-CB 4.04Å; L50-R128 HydrophobicContact CD1-CB 3.81Å; L50-R128 HydrophobicContact CD2-CB 3.96Å; L50-R128 HydrophobicContact CG-CB 4.17Å; L50-I136 HydrophobicContact CD2-CD1 4.15Å; L50-I136 HydrophobicContact CD2-CG1 4.17Å; L50-I136 HydrophobicContact CD2-CG2 3.68Å
51	E	95.6	Very high	94.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.7	173.7	-69.8	164.9	-172.8	0	0	111.2	L60 R128 S426 G427 V429 M431 T440	E51-L60 HydrophobicContact CG-CD2 4.16Å; E51-R128 PolarHBondContact O-NE 3.09Å; E51-S426 PolarHBondContact N-OG 3.23Å; E51-G427 WeakPolarHBondContact OE2-CA 3.39Å; E51-V429 HydrophobicContact CB-CB 3.85Å; E51-V429 HydrophobicContact CB-CG2 3.62Å; E51-V429 WeakPolarHBondContact OE2-CB 3.49Å; E51-V429 PolarHBondContact OE2-N 2.61Å; E51-M431 HydrophobicContact CB-CE 4.09Å; E51-M431 HydrophobicContact CB-SD 4.15Å; E51-M431 HydrophobicContact CG-CE 3.97Å; E51-M431 HydrophobicContact CG-CG 4.26Å; E51-M431 HydrophobicContact CG-SD 4.29Å; E51-T440 VanDerWaalsContact CG-OG1 3.27Å; E51-T440 WeakPolarHBondContact CG-OG1 2.92Å; E51-T440 WeakPolarHBondContact OE1-CB 3.33Å; E51-T440 PolarHBondContact OE1-N 2.81Å; E51-T440 PolarHBondContact OE1-OG1 3.27Å
52	H	94.3	Very high	94.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.4	-177.3	-175.6	61	0	0	0	112.8	W59 I61 G134 I136 P164	H52-W59 HydrophobicContact CB-CB 4.37Å; H52-W59 PolarHBondContact N-O 2.89Å; H52-W59 PolarHBondContact O-N 3.43Å; H52-I61 HydrophobicContact CB-CD1 4.47Å; H52-I61 HydrophobicContact CB-CG1 3.83Å; H52-G134 PolarHBondContact CE1-O 2.78Å; H52-I136 HydrophobicContact CB-CD1 4.1Å; H52-P164 PolarHBondContact NE2-O 2.85Å
53	F	91	Very high	94.8	Very high	47 Å²	47	29.9 Å²	29.9	21%	0.206	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.1	178	178.8	-122.8	0	0	0	110.6	N56 R58 A132 V429	F53-N56 VanDerWaalsContact CE2-CA 3.47Å; F53-R58 HydrophobicContact CD2-CG 4.48Å; F53-R58 VanDerWaalsContact CD2-NE 3.34Å; F53-R58 VanDerWaalsContact CE2-CZ 3.41Å; F53-A132 WeakPolarHBondContact CD1-O 3.35Å; F53-V429 HydrophobicContact CB-CG1 4.3Å
54	H	90.4	Very high	94.9	Very high	34 Å²	34	29.7 Å²	29.7	16%	0.157	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	141.4	171.8	-175.2	49	0	0	0	109.5	N56 T57 S133 P164	H54-N56 PolarHBondContact O-N 3.22Å; H54-T57 PolarHBondContact N-O 3.33Å; H54-T57 WeakPolarHBondContact O-CA 3.5Å; H54-T57 WeakPolarHBondContact O-CB 3.08Å; H54-T57 PolarHBondContact O-N 2.69Å; H54-S133 PolarHBondContact ND1-OG 3.2Å; H54-P164 WeakPolarHBondContact CB-O 3.3Å; H54-P164 PolarHBondContact CD2-O 3.45Å; H54-P164 VanDerWaalsContact CD2-O 3.28Å
55	D	86.4	Confident	94.9	Very high	125 Å²	125	27.6 Å²	27.6	67%	0.668	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	43	58.1	176.6	-67.2	4.8	0	0	0	114	T57	D55-T57 PolarHBondContact O-N 2.72Å; D55-T57 PolarHBondContact O-OG1 3.24Å
56	N	83.9	Confident	94.8	Very high	140 Å²	140	31 Å²	31	75%	0.749	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	17.2	-175.5	-153.1	42.8	0	0	0	115.8	F53 H54	F53-N56 VanDerWaalsContact CE2-CA 3.47Å; H54-N56 PolarHBondContact O-N 3.22Å
57	T	90.4	Very high	94.7	Very high	28 Å²	28	31.1 Å²	31.1	17%	0.172	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128	-177.6	-56	0	0	0	0	111.4	H54 D55 W59 R85	H54-T57 PolarHBondContact N-O 3.33Å; H54-T57 WeakPolarHBondContact O-CA 3.5Å; H54-T57 WeakPolarHBondContact O-CB 3.08Å; H54-T57 PolarHBondContact O-N 2.69Å; D55-T57 PolarHBondContact O-N 2.72Å; D55-T57 PolarHBondContact O-OG1 3.24Å; T57-W59 HydrophobicContact CG2-CD2 4.44Å; T57-W59 HydrophobicContact CG2-CZ2 3.95Å; T57-W59 VanDerWaalsContact CG2-NE1 3.27Å; T57-R85 HydrophobicContact CG2-CG 4.02Å; T57-R85 VanDerWaalsContact CG2-NE 3.25Å
58	R	92.1	Very high	94.6	Very high	41 Å²	41	33.8 Å²	33.8	16%	0.155	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.1	178.8	-54.4	-68	173	171.1	4.5	110.4	F53 V86 V429 D430 M431	F53-R58 HydrophobicContact CD2-CG 4.48Å; F53-R58 VanDerWaalsContact CD2-NE 3.34Å; F53-R58 VanDerWaalsContact CE2-CZ 3.41Å; R58-V86 HydrophobicContact CB-CB 4.11Å; R58-V86 HydrophobicContact CB-CG2 4.1Å; R58-V86 PolarHBondContact O-N 2.96Å; R58-V429 VanDerWaalsContact NH1-CG1 3.3Å; R58-D430 WeakPolarHBondContact CD-O 3.21Å; R58-D430 PolarHBondContact NE-O 3.06Å; R58-D430 PolarHBondContact NH1-O 3.43Å; R58-M431 HydrophobicContact CB-CE 4.18Å; R58-M431 HydrophobicContact CB-SD 3.82Å; R58-M431 WeakPolarHBondContact CG-O 3.47Å; R58-M431 HydrophobicContact CG-SD 4.27Å
59	W	94.3	Very high	94.3	Very high	58 Å²	58	33.9 Å²	33.9	22%	0.22	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.1	-177.9	-64.5	95.8	0	0	0	111	H52 T57 I61 K83 C84 R85 L166 M431	H52-W59 HydrophobicContact CB-CB 4.37Å; H52-W59 PolarHBondContact N-O 2.89Å; H52-W59 PolarHBondContact O-N 3.43Å; T57-W59 HydrophobicContact CG2-CD2 4.44Å; T57-W59 HydrophobicContact CG2-CZ2 3.95Å; T57-W59 VanDerWaalsContact CG2-NE1 3.27Å; W59-I61 HydrophobicContact CB-CD1 4.01Å; W59-K83 HydrophobicContact CE3-CB 3.99Å; W59-K83 HydrophobicContact CE3-CD 4.39Å; W59-K83 HydrophobicContact CE3-CG 4.21Å; W59-K83 HydrophobicContact CZ3-CB 4.44Å; W59-K83 HydrophobicContact CZ3-CD 4.32Å; W59-K83 HydrophobicContact CZ3-CG 4.18Å; W59-C84 WeakPolarHBondContact CA-O 3.06Å; W59-R85 HydrophobicContact CD2-CG 4.34Å; W59-R85 HydrophobicContact CE3-CB 3.91Å; W59-R85 HydrophobicContact CE3-CG 4.11Å; W59-R85 HydrophobicContact CH2-CB 3.99Å; W59-R85 HydrophobicContact CH2-CG 3.85Å; W59-R85 HydrophobicContact CZ2-CG 4.09Å; W59-R85 HydrophobicContact CZ3-CB 3.57Å; W59-R85 HydrophobicContact CZ3-CG 3.87Å; W59-L166 HydrophobicContact CB-CD1 4Å; W59-L166 HydrophobicContact CD2-CD1 3.88Å; W59-L166 HydrophobicContact CE3-CD1 4.49Å; W59-L166 HydrophobicContact CG-CD1 3.63Å; W59-M431 VanDerWaalsContact O-CE 3.32Å; W59-M431 WeakPolarHBondContact O-CE 3.41Å
60	L	96.6	Very high	94	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.2	163.1	-59	173.4	0	0	0	108	F37 E51 K83 C84 V86 M431 T440 L451	F37-L60 HydrophobicContact CD2-CD1 3.64Å; F37-L60 HydrophobicContact CE2-CD1 3.33Å; F37-L60 HydrophobicContact CG-CD1 4.43Å; F37-L60 HydrophobicContact CZ-CD1 3.89Å; E51-L60 HydrophobicContact CG-CD2 4.16Å; L60-K83 CarbonylContact O-C 3.47Å; L60-K83 WeakPolarHBondContact O-CA 3.15Å; L60-C84 HydrophobicContact CB-CB 4.2Å; L60-C84 PolarHBondContact N-O 2.77Å; L60-C84 PolarHBondContact O-N 3.28Å; L60-V86 HydrophobicContact CD1-CG2 4.49Å; L60-V86 HydrophobicContact CG-CG2 4Å; L60-M431 HydrophobicContact CD2-CE 3.52Å; L60-M431 HydrophobicContact CG-CE 4.13Å; L60-T440 HydrophobicContact CD2-CG2 3.84Å; L60-T440 WeakPolarHBondContact CD2-OG1 3.32Å; L60-L451 HydrophobicContact CD1-CB 3.92Å; L60-L451 HydrophobicContact CD1-CD2 4.27Å; L60-L451 HydrophobicContact CD2-CB 4.37Å; L60-L451 HydrophobicContact CD2-CD2 4.31Å
61	I	97.4	Very high	93.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125	176.6	-49.3	-59.6	0	0	0	107.7	V49 L50 H52 W59 V81 F82 K83 M97 L126 I136 L166	V49-I61 CarbonylContact C-O 3.57Å; L50-I61 HydrophobicContact CB-CB 4.31Å; L50-I61 PolarHBondContact N-O 3.32Å; L50-I61 PolarHBondContact O-N 3.41Å; H52-I61 HydrophobicContact CB-CD1 4.47Å; H52-I61 HydrophobicContact CB-CG1 3.83Å; W59-I61 HydrophobicContact CB-CD1 4.01Å; I61-V81 HydrophobicContact CG2-CG1 3.52Å; I61-F82 CarbonylContact C-O 3.53Å; I61-F82 WeakPolarHBondContact CA-O 2.72Å; I61-K83 HydrophobicContact CD1-CB 3.65Å; I61-M97 HydrophobicContact CD1-SD 4.33Å; I61-M97 HydrophobicContact CG2-SD 4.44Å; I61-L126 HydrophobicContact CG2-CD1 4.06Å; I61-L126 HydrophobicContact CG2-CD2 4.37Å; I61-I136 HydrophobicContact CG1-CD1 3.81Å; I61-I136 HydrophobicContact CG2-CD1 4.49Å; I61-L166 HydrophobicContact CD1-CD1 3.63Å; I61-L166 HydrophobicContact CD1-CD2 3.91Å; I61-L166 HydrophobicContact CD1-CG 4.43Å
62	V	98.5	Very high	93.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.3	-166.6	-172.8	0	0	0	0	110.3	F45 V81 F82 V449	F45-V62 HydrophobicContact CD1-CG1 3.87Å; F45-V62 HydrophobicContact CD2-CB 4.26Å; F45-V62 HydrophobicContact CD2-CG1 3.74Å; F45-V62 HydrophobicContact CE1-CB 4.46Å; F45-V62 HydrophobicContact CE1-CG1 3.83Å; F45-V62 HydrophobicContact CE1-CG2 4.44Å; F45-V62 HydrophobicContact CE2-CB 3.78Å; F45-V62 HydrophobicContact CE2-CG1 3.67Å; F45-V62 HydrophobicContact CE2-CG2 4.29Å; F45-V62 HydrophobicContact CG-CG1 3.84Å; F45-V62 HydrophobicContact CZ-CB 3.89Å; F45-V62 HydrophobicContact CZ-CG1 3.71Å; F45-V62 HydrophobicContact CZ-CG2 3.91Å; V62-V81 WeakPolarHBondContact O-CA 2.98Å; V62-F82 HydrophobicContact CB-CB 4.48Å; V62-F82 PolarHBondContact N-O 3.21Å; V62-F82 PolarHBondContact O-N 3.27Å; V62-V449 HydrophobicContact CG2-CB 4.48Å; V62-V449 HydrophobicContact CG2-CG1 3.93Å
63	G	98.3	Very high	93.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	135.8	172.1	0	0	0	0	0	111.5	G46 Y47 S48 G123	G46-G63 PolarHBondContact N-O 3.2Å; G46-G63 VanDerWaalsContact N-O 3.07Å; Y47-G63 PolarHBondContact N-O 3.03Å; S48-G63 PolarHBondContact O-N 3.02Å; G63-G123 WeakPolarHBondContact CA-O 3.48Å
64	A	98.2	Very high	93.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	80.3	174	0	0	0	0	0	109.6	S43 F45 K66 A67 G79 A80 F82	S43-A64 CarbonylContact O-C 3.26Å; S43-A64 WeakPolarHBondContact O-CA 3.4Å; F45-A64 HydrophobicContact CB-CB 4.02Å; F45-A64 HydrophobicContact CD2-CB 4.33Å; A64-K66 PolarHBondContact O-N 3.3Å; A64-A67 HydrophobicContact CB-CB 3.89Å; A64-A67 VanDerWaalsContact O-CB 3.31Å; A64-A67 WeakPolarHBondContact O-CB 3.46Å; A64-A67 PolarHBondContact O-N 3.12Å; A64-G79 VanDerWaalsContact O-CA 3.24Å; A64-G79 WeakPolarHBondContact O-CA 2.84Å; A64-A80 PolarHBondContact N-O 3.44Å; A64-A80 PolarHBondContact O-N 2.68Å; A64-F82 HydrophobicContact CB-CD2 3.99Å; A64-F82 HydrophobicContact CB-CE2 3.77Å
65	P	97.6	Very high	93.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.4	-168.2	-24.6	34.8	0	0	0	116.1	F44 Y47 G79 W121	F44-P65 WeakPolarHBondContact O-CD 3.22Å; Y47-P65 HydrophobicContact CD1-CG 3.74Å; Y47-P65 HydrophobicContact CG-CG 3.82Å; P65-G79 WeakPolarHBondContact O-CA 3.18Å; P65-W121 HydrophobicContact CB-CB 3.94Å; P65-W121 HydrophobicContact CB-CD2 3.85Å; P65-W121 HydrophobicContact CB-CE3 3.88Å; P65-W121 HydrophobicContact CB-CG 3.89Å; P65-W121 WeakPolarHBondContact O-CA 3.43Å
66	K	96.9	Very high	93.5	Very high	72 Å²	72	49 Å²	49	31%	0.313	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	9.8	175.5	-65.2	-177.8	177.6	174.7	0	113.4	S43 F44 A64 N68 S77 W121	S43-K66 CarbonylContact O-C 3.49Å; S43-K66 WeakPolarHBondContact O-CA 3.47Å; S43-K66 PolarHBondContact O-N 3.49Å; F44-K66 HydrophobicContact CD1-CD 4.09Å; F44-K66 HydrophobicContact CD2-CD 3.82Å; F44-K66 HydrophobicContact CD2-CG 4.23Å; F44-K66 HydrophobicContact CE1-CD 4.17Å; F44-K66 HydrophobicContact CE2-CD 3.91Å; F44-K66 VanDerWaalsContact CE2-CE 3.44Å; F44-K66 HydrophobicContact CG-CD 3.94Å; F44-K66 HydrophobicContact CG-CG 4.33Å; F44-K66 HydrophobicContact CZ-CD 4.11Å; A64-K66 PolarHBondContact O-N 3.3Å; K66-N68 PolarHBondContact O-N 2.72Å; K66-S77 WeakPolarHBondContact CA-OG 2.93Å; K66-S77 PolarHBondContact O-OG 3.17Å; K66-W121 HydrophobicContact CG-CZ2 4.39Å
67	A	96.4	Very high	93.9	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-60.6	138	173.4	0	0	0	0	0	111.3	S43 A64 G79 A80 F82	S43-A67 PolarHBondContact O-N 3.17Å; A64-A67 HydrophobicContact CB-CB 3.89Å; A64-A67 VanDerWaalsContact O-CB 3.31Å; A64-A67 WeakPolarHBondContact O-CB 3.46Å; A64-A67 PolarHBondContact O-N 3.12Å; A67-G79 WeakPolarHBondContact O-CA 2.83Å; A67-G79 PolarHBondContact O-N 3.45Å; A67-A80 HydrophobicContact CB-CB 3.75Å; A67-F82 HydrophobicContact CB-CE2 4.16Å
68	N	94.6	Very high	94.1	Very high	123 Å²	123	41.9 Å²	41.9	66%	0.658	21%	0.213	S	C	*	.	P	Polyproline II helix	trans	-76.5	126.7	156	-68.6	-45	0	0	0	107.6	K66 S77	K66-N68 PolarHBondContact O-N 2.72Å; N68-S77 PolarHBondContact OD1-N 2.96Å
69	S	93.1	Very high	94.3	Very high	13 Å²	13	40.1 Å²	40.1	9%	0.091	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-90.1	132.1	-176.2	167.8	0	0	0	0	111.1	Y71 S72 S73 E96	S69-Y71 VanDerWaalsContact C-N 3.28Å; S69-Y71 PolarHBondContact O-N 2.98Å; S69-Y71 PolarHBondContact OG-N 3.34Å; S69-S72 CarbonylContact O-C 3.38Å; S69-S72 PolarHBondContact O-N 2.58Å; S69-S72 PolarHBondContact OG-N 2.57Å; S69-S73 PolarHBondContact O-N 3.5Å; S69-E96 VanDerWaalsContact CA-OE1 3.23Å; S69-E96 WeakPolarHBondContact CA-OE1 3.44Å; S69-E96 WeakPolarHBondContact CB-OE1 3.35Å; S69-E96 PolarHBondContact OG-OE1 2.9Å
70	T	92.3	Very high	94.4	Very high	100 Å²	100	37.5 Å²	37.5	61%	0.613	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-69.6	-28.3	173.9	60.4	0	0	0	0	112.1	S72 E96	T70-S72 VanDerWaalsContact C-N 3.35Å; T70-E96 WeakPolarHBondContact CB-OE2 3.36Å; T70-E96 WeakPolarHBondContact CG2-OE2 3.34Å; T70-E96 PolarHBondContact N-OE1 2.83Å; T70-E96 PolarHBondContact N-OE2 3.23Å; T70-E96 PolarHBondContact OG1-OE2 3.12Å
71	Y	91.3	Very high	94.4	Very high	100 Å²	100	37.5 Å²	37.5	39%	0.392	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-85.4	-0.5	175	-57.4	-70	0	0	0	114.1	S69 E96 D98 G102 N103	S69-Y71 VanDerWaalsContact C-N 3.28Å; S69-Y71 PolarHBondContact O-N 2.98Å; S69-Y71 PolarHBondContact OG-N 3.34Å; Y71-E96 HydrophobicContact CD2-CB 4.46Å; Y71-E96 HydrophobicContact CD2-CG 3.95Å; Y71-E96 WeakPolarHBondContact CD2-OE1 3.15Å; Y71-E96 HydrophobicContact CE2-CB 4.02Å; Y71-E96 HydrophobicContact CE2-CG 4Å; Y71-D98 HydrophobicContact CD1-CB 3.8Å; Y71-D98 HydrophobicContact CD2-CB 3.93Å; Y71-D98 HydrophobicContact CE1-CB 3.78Å; Y71-D98 HydrophobicContact CE2-CB 3.9Å; Y71-D98 HydrophobicContact CG-CB 3.88Å; Y71-G102 CarbonylContact O-C 3.35Å; Y71-N103 PolarHBondContact O-OD1 3.13Å
72	S	90	Very high	94.4	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.028	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-144.3	47.2	178.8	-64.6	0	0	0	0	111.1	S69 T70 S74 V75 G102 N103 R117	S69-S72 CarbonylContact O-C 3.38Å; S69-S72 PolarHBondContact O-N 2.58Å; S69-S72 PolarHBondContact OG-N 2.57Å; T70-S72 VanDerWaalsContact C-N 3.35Å; S72-S74 PolarHBondContact O-N 3.18Å; S72-S74 VanDerWaalsContact O-N 3.1Å; S72-V75 WeakPolarHBondContact O-CB 3.34Å; S72-V75 PolarHBondContact O-N 2.88Å; S72-G102 PolarHBondContact OG-O 2.03Å; S72-N103 WeakPolarHBondContact CA-OD1 3.32Å; S72-N103 PolarHBondContact N-OD1 3.05Å; S72-R117 PolarHBondContact OG-NH1 2.79Å; S72-R117 VanDerWaalsContact OG-NH1 3.13Å; S72-R117 PolarHBondContact OG-NH2 3.09Å
73	S	89.2	Confident	94.3	Very high	86 Å²	86	39.7 Å²	39.7	60%	0.601	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.2	-169.9	63.9	0	0	0	0	115.5	S69 N103	S69-S73 PolarHBondContact O-N 3.5Å; S73-N103 PolarHBondContact N-OD1 3.07Å; S73-N103 PolarHBondContact OG-OD1 2.83Å
74	S	89.1	Confident	94.2	Very high	77 Å²	77	39.7 Å²	39.7	54%	0.538	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	12	174	-50.8	0	0	0	0	113.3	S72 N103	S72-S74 PolarHBondContact O-N 3.18Å; S72-S74 VanDerWaalsContact O-N 3.1Å; S74-N103 WeakPolarHBondContact CB-O 3.36Å
75	V	91.2	Very high	94	Very high	9 Å²	9	43.9 Å²	43.9	6%	0.055	22%	0.224	C	C	.	.	S	Bend	trans	-119.3	135.9	179.6	-168.3	0	0	0	0	108.9	S72 P78 P105 R117 D118	S72-V75 WeakPolarHBondContact O-CB 3.34Å; S72-V75 PolarHBondContact O-N 2.88Å; V75-P78 HydrophobicContact CB-CB 4.43Å; V75-P78 HydrophobicContact CB-CG 4.29Å; V75-P78 HydrophobicContact CG1-CB 3.94Å; V75-P78 HydrophobicContact CG1-CG 4.3Å; V75-P105 HydrophobicContact CG2-CB 4.29Å; V75-R117 VanDerWaalsContact CG1-C 3.44Å; V75-R117 HydrophobicContact CG1-CB 3.58Å; V75-R117 WeakPolarHBondContact CG1-O 3.41Å; V75-D118 WeakPolarHBondContact CG1-OD1 3.26Å
76	R	91.9	Very high	93.7	Very high	175 Å²	175	44.2 Å²	44.2	66%	0.66	23%	0.226	S	C	*	.	S	Bend	trans	-84	119.2	-177.4	179.3	-178.1	173.5	161.1	0.8	111.3	P78 D118 D119	R76-P78 VanDerWaalsContact C-CD 3.42Å; R76-P78 VanDerWaalsContact C-N 3.33Å; R76-D118 HydrophobicContact CB-CB 4.36Å; R76-D118 PolarHBondContact N-OD1 2.78Å; R76-D119 PolarHBondContact O-N 2.87Å
77	S	92.8	Very high	93.4	Very high	18 Å²	18	43.9 Å²	43.9	13%	0.126	23%	0.225	C	C	.	.	S	Bend	trans	43	50.3	174.5	-176.8	0	0	0	0	114	K66 N68 G79	K66-S77 WeakPolarHBondContact CA-OG 2.93Å; K66-S77 PolarHBondContact O-OG 3.17Å; N68-S77 PolarHBondContact OD1-N 2.96Å; S77-G79 PolarHBondContact O-N 3.49Å; S77-G79 VanDerWaalsContact O-N 3.16Å
78	P	94.3	Very high	92.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.253	C	S	.	.			trans	-64.6	-19.1	-178.7	28	-35.7	0	0	0	112.8	V75 R76 E120 W121 M122	V75-P78 HydrophobicContact CB-CB 4.43Å; V75-P78 HydrophobicContact CB-CG 4.29Å; V75-P78 HydrophobicContact CG1-CB 3.94Å; V75-P78 HydrophobicContact CG1-CG 4.3Å; R76-P78 VanDerWaalsContact C-CD 3.42Å; R76-P78 VanDerWaalsContact C-N 3.33Å; P78-E120 HydrophobicContact CB-CG 4.05Å; P78-E120 WeakPolarHBondContact CB-OE1 3.48Å; P78-E120 WeakPolarHBondContact O-CG 3.36Å; P78-W121 PolarHBondContact O-N 3.23Å; P78-M122 WeakPolarHBondContact O-CB 3.47Å; P78-M122 PolarHBondContact O-N 3.44Å
79	G	96.3	Very high	92.7	Very high	4 Å²	4	43.1 Å²	43.1	4%	0.041	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	80.5	161.7	-163.6	0	0	0	0	0	111.3	A64 P65 A67 S77 M122	A64-G79 VanDerWaalsContact O-CA 3.24Å; A64-G79 WeakPolarHBondContact O-CA 2.84Å; P65-G79 WeakPolarHBondContact O-CA 3.18Å; A67-G79 WeakPolarHBondContact O-CA 2.83Å; A67-G79 PolarHBondContact O-N 3.45Å; S77-G79 PolarHBondContact O-N 3.49Å; S77-G79 VanDerWaalsContact O-N 3.16Å; G79-M122 CarbonylContact C-O 3.46Å; G79-M122 WeakPolarHBondContact CA-O 3.32Å
80	A	96.1	Very high	92.2	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.033	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	162.5	179.8	0	0	0	0	0	111.4	A64 A67 F82 E96 M122	A64-A80 PolarHBondContact N-O 3.44Å; A64-A80 PolarHBondContact O-N 2.68Å; A67-A80 HydrophobicContact CB-CB 3.75Å; A80-F82 HydrophobicContact CB-CD2 4.48Å; A80-F82 HydrophobicContact CB-CE2 3.88Å; A80-F82 HydrophobicContact CB-CZ 4.45Å; A80-E96 HydrophobicContact CB-CG 4.07Å; A80-M122 PolarHBondContact N-O 3.14Å
81	V	97.4	Very high	92	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.6	171	-177.6	0	0	0	0	108	I61 V62 M97 L99 M122 L126 A138	I61-V81 HydrophobicContact CG2-CG1 3.52Å; V62-V81 WeakPolarHBondContact O-CA 2.98Å; V81-M97 HydrophobicContact CG1-SD 4.01Å; V81-M97 WeakPolarHBondContact O-CB 3.43Å; V81-M97 PolarHBondContact O-N 3.35Å; V81-L99 HydrophobicContact CG2-CD1 4.49Å; V81-M122 HydrophobicContact CG2-CG 4.38Å; V81-M122 HydrophobicContact CG2-SD 4.49Å; V81-L126 HydrophobicContact CG1-CD2 4.18Å; V81-L126 HydrophobicContact CG2-CD2 4.27Å; V81-A138 HydrophobicContact CG2-CB 4.02Å
82	F	97.6	Very high	92	Very high	16 Å²	16	48.8 Å²	48.8	7%	0.07	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	152.8	179.1	-70.2	-97.9	0	0	0	110.7	P40 F45 I61 V62 A64 A67 A80 C94 T95 E96	P40-F82 HydrophobicContact CG-CE1 4.29Å; P40-F82 HydrophobicContact CG-CZ 3.79Å; F45-F82 HydrophobicContact CD2-CB 4.37Å; F45-F82 AromaticContact CD2-CD2 3.87Å; F45-F82 HydrophobicContact CD2-CD2 3.87Å; F45-F82 HydrophobicContact CD2-CE2 4.4Å; F45-F82 HydrophobicContact CD2-CG 4.11Å; F45-F82 HydrophobicContact CE2-CB 3.74Å; F45-F82 HydrophobicContact CE2-CD1 4.45Å; F45-F82 HydrophobicContact CE2-CD2 4.09Å; F45-F82 AromaticContact CE2-CG 3.84Å; F45-F82 HydrophobicContact CE2-CG 3.84Å; I61-F82 CarbonylContact C-O 3.53Å; I61-F82 WeakPolarHBondContact CA-O 2.72Å; V62-F82 HydrophobicContact CB-CB 4.48Å; V62-F82 PolarHBondContact N-O 3.21Å; V62-F82 PolarHBondContact O-N 3.27Å; A64-F82 HydrophobicContact CB-CD2 3.99Å; A64-F82 HydrophobicContact CB-CE2 3.77Å; A67-F82 HydrophobicContact CB-CE2 4.16Å; A80-F82 HydrophobicContact CB-CD2 4.48Å; A80-F82 HydrophobicContact CB-CE2 3.88Å; A80-F82 HydrophobicContact CB-CZ 4.45Å; F82-C94 HydrophobicContact CB-CB 4.42Å; F82-T95 CarbonylContact C-O 3.59Å; F82-T95 VanDerWaalsContact CA-O 3.25Å; F82-T95 WeakPolarHBondContact CA-O 3.22Å; F82-E96 HydrophobicContact CD1-CB 4.2Å; F82-E96 HydrophobicContact CE1-CB 3.87Å; F82-E96 HydrophobicContact CE1-CG 4.42Å; F82-E96 HydrophobicContact CZ-CB 4.36Å; F82-E96 HydrophobicContact CZ-CG 4.44Å
83	K	96	Very high	92.1	Very high	31 Å²	31	55.9 Å²	55.9	14%	0.135	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.1	167.5	61.6	-172.5	170.4	-176.2	0	110.9	W59 L60 I61 T95 M97 L166	W59-K83 HydrophobicContact CE3-CB 3.99Å; W59-K83 HydrophobicContact CE3-CD 4.39Å; W59-K83 HydrophobicContact CE3-CG 4.21Å; W59-K83 HydrophobicContact CZ3-CB 4.44Å; W59-K83 HydrophobicContact CZ3-CD 4.32Å; W59-K83 HydrophobicContact CZ3-CG 4.18Å; L60-K83 CarbonylContact O-C 3.47Å; L60-K83 WeakPolarHBondContact O-CA 3.15Å; I61-K83 HydrophobicContact CD1-CB 3.65Å; K83-T95 WeakPolarHBondContact CG-OG1 3.23Å; K83-T95 PolarHBondContact N-O 3.13Å; K83-T95 PolarHBondContact O-N 3.06Å; K83-T95 PolarHBondContact O-OG1 2.9Å; K83-M97 HydrophobicContact CB-CG 4.15Å; K83-M97 HydrophobicContact CB-SD 3.93Å; K83-M97 HydrophobicContact CD-CG 3.81Å; K83-M97 HydrophobicContact CD-SD 4.04Å; K83-M97 HydrophobicContact CG-CG 3.84Å; K83-M97 HydrophobicContact CG-SD 4.2Å; K83-L166 HydrophobicContact CB-CD1 4.29Å; K83-L166 HydrophobicContact CD-CB 3.93Å; K83-L166 HydrophobicContact CD-CD1 3.85Å; K83-L166 PolarHBondContact NZ-O 2.85Å
84	C	95.8	Very high	92.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.1	174.9	-36.9	0	0	0	0	108	F37 W59 L60 C94	F37-C84 HydrophobicContact CD1-CB 3.67Å; F37-C84 HydrophobicContact CE1-CB 3.87Å; F37-C84 HydrophobicContact CG-CB 4.34Å; W59-C84 WeakPolarHBondContact CA-O 3.06Å; L60-C84 HydrophobicContact CB-CB 4.2Å; L60-C84 PolarHBondContact N-O 2.77Å; L60-C84 PolarHBondContact O-N 3.28Å; C84-C94 HydrophobicContact CB-CB 4.03Å; C84-C94 WeakPolarHBondContact CB-SG 2.96Å; C84-C94 WeakPolarHBondContact SG-CB 3.46Å; C84-C94 CovalentContact SG-SG 2.03Å; C84-C94 PolarHBondContact SG-SG 2.66Å
85	R	93.5	Very high	92.8	Very high	88 Å²	88	53 Å²	53	33%	0.332	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	135.2	175.3	-151.4	179	-177.4	-162.2	1.7	108.8	T57 W59 H87 N89	T57-R85 HydrophobicContact CG2-CG 4.02Å; T57-R85 VanDerWaalsContact CG2-NE 3.25Å; W59-R85 HydrophobicContact CD2-CG 4.34Å; W59-R85 HydrophobicContact CE3-CB 3.91Å; W59-R85 HydrophobicContact CE3-CG 4.11Å; W59-R85 HydrophobicContact CH2-CB 3.99Å; W59-R85 HydrophobicContact CH2-CG 3.85Å; W59-R85 HydrophobicContact CZ2-CG 4.09Å; W59-R85 HydrophobicContact CZ3-CB 3.57Å; W59-R85 HydrophobicContact CZ3-CG 3.87Å; R85-H87 WeakPolarHBondContact CD-O 3.19Å; R85-H87 WeakPolarHBondContact CG-O 3.02Å; R85-N89 HydrophobicContact CB-CB 4.25Å; R85-N89 VanDerWaalsContact O-CB 3.31Å; R85-N89 WeakPolarHBondContact O-CB 3.15Å; R85-N89 PolarHBondContact O-ND2 3.42Å
86	V	92.9	Very high	93	Very high	6 Å²	6	53.8 Å²	53.8	4%	0.036	26%	0.26	C	S	.	.	S	Bend	trans	-78	-39.8	178.8	-179.5	0	0	0	0	111.3	L35 R58 L60 M431 L451 L589	L35-V86 HydrophobicContact CD1-CG1 4.25Å; R58-V86 HydrophobicContact CB-CB 4.11Å; R58-V86 HydrophobicContact CB-CG2 4.1Å; R58-V86 PolarHBondContact O-N 2.96Å; L60-V86 HydrophobicContact CD1-CG2 4.49Å; L60-V86 HydrophobicContact CG-CG2 4Å; V86-M431 WeakPolarHBondContact CG1-O 3.48Å; V86-M431 HydrophobicContact CG2-CE 3.66Å; V86-L451 HydrophobicContact CB-CD2 4.44Å; V86-L451 HydrophobicContact CG1-CD2 3.69Å; V86-L451 HydrophobicContact CG2-CD2 3.83Å; V86-L589 HydrophobicContact CG1-CD1 4.07Å
87	H	89.1	Confident	93.1	Very high	65 Å²	65	45.8 Å²	45.8	30%	0.301	23%	0.231	S	C	.	.	S	Bend	trans	-103.8	151.7	177.5	-70.2	85.2	0	0	0	111.5	R85 M431 D432	R85-H87 WeakPolarHBondContact CD-O 3.19Å; R85-H87 WeakPolarHBondContact CG-O 3.02Å; H87-M431 PolarHBondContact CE1-O 2.87Å; H87-M431 VanDerWaalsContact CE1-O 3.28Å; H87-D432 PolarHBondContact NE2-O 3.41Å
88	S	86.6	Confident	93.1	Very high	85 Å²	85	48.9 Å²	48.9	59%	0.594	25%	0.246	S	C	*	.	S	Bend	trans	55.7	46.6	-178.2	-49.5	0	0	0	0	113	E588	S88-E588 WeakPolarHBondContact CA-OE1 3.37Å; S88-E588 WeakPolarHBondContact CA-OE2 3.28Å; S88-E588 VanDerWaalsContact N-CD 3.31Å; S88-E588 PolarHBondContact N-OE1 3.13Å; S88-E588 PolarHBondContact N-OE2 2.94Å
89	N	89.3	Confident	92.9	Very high	25 Å²	25	49.6 Å²	49.6	13%	0.134	25%	0.249	C	C	.	.			trans	-151.5	59.8	-177.4	-170.7	16.1	0	0	0	111.3	R85 E91 R92 R93 E588	R85-N89 HydrophobicContact CB-CB 4.25Å; R85-N89 VanDerWaalsContact O-CB 3.31Å; R85-N89 WeakPolarHBondContact O-CB 3.15Å; R85-N89 PolarHBondContact O-ND2 3.42Å; N89-E91 PolarHBondContact O-N 2.83Å; N89-E91 VanDerWaalsContact O-N 3.16Å; N89-R92 WeakPolarHBondContact O-CA 3.09Å; N89-R92 PolarHBondContact O-N 2.89Å; N89-R92 PolarHBondContact OD1-N 2.9Å; N89-R93 PolarHBondContact ND2-N 3.33Å; N89-R93 PolarHBondContact ND2-O 2.81Å; N89-R93 PolarHBondContact OD1-N 3.21Å; N89-E588 PolarHBondContact N-OE1 3.33Å
90	P	84.6	Confident	92.4	Very high	110 Å²	110	52.1 Å²	52.1	71%	0.714	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-23.5	-174.5	26.7	-35.9	0	0	0	112.9	R92 E588	P90-R92 PolarHBondContact O-N 3.32Å; P90-E588 WeakPolarHBondContact CD-OE1 3.25Å
91	E	86.7	Confident	91.8	Very high	126 Å²	126	53.3 Å²	53.3	59%	0.589	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-0.1	173.8	-57.8	-169.6	97.7	0	0	113.6	N89 R93	N89-E91 PolarHBondContact O-N 2.83Å; N89-E91 VanDerWaalsContact O-N 3.16Å; E91-R93 HydrophobicContact CB-CG 3.85Å; E91-R93 VanDerWaalsContact CD-CZ 3.43Å; E91-R93 PolarHBondContact O-N 3.2Å; E91-R93 VanDerWaalsContact O-N 3.13Å; E91-R93 IonicContact OE1-CZ 3.47Å; E91-R93 IonicContact OE1-NE 3.46Å; E91-R93 PolarHBondContact OE1-NE 2.9Å; E91-R93 IonicContact OE1-NH2 2.66Å; E91-R93 PolarHBondContact OE1-NH2 2.81Å; E91-R93 IonicContact OE2-CZ 3.41Å; E91-R93 IonicContact OE2-NE 3.55Å; E91-R93 PolarHBondContact OE2-NE 3.17Å; E91-R93 IonicContact OE2-NH1 3.31Å; E91-R93 IonicContact OE2-NH2 3.1Å; E91-R93 PolarHBondContact OE2-NH2 2.86Å; E91-R93 VanDerWaalsContact OE2-NH2 3.1Å
92	R	91.4	Very high	91.2	Very high	95 Å²	95	55 Å²	55	36%	0.358	30%	0.296	S	S	.	.			trans	50	37.6	179.7	-53.6	-174.6	-176.3	-174.7	-6.9	113.4	P34 V36 F37 N89 P90	P34-R92 PolarHBondContact O-NH1 2.73Å; P34-R92 PolarHBondContact O-NH2 3.37Å; V36-R92 WeakPolarHBondContact O-CD 3.35Å; V36-R92 PolarHBondContact O-NH1 3.38Å; F37-R92 HydrophobicContact CD1-CB 3.79Å; F37-R92 VanDerWaalsContact CD1-O 3.28Å; F37-R92 WeakPolarHBondContact CD1-O 3.47Å; F37-R92 HydrophobicContact CE1-CB 4Å; F37-R92 HydrophobicContact CG-CB 4.35Å; N89-R92 WeakPolarHBondContact O-CA 3.09Å; N89-R92 PolarHBondContact O-N 2.89Å; N89-R92 PolarHBondContact OD1-N 2.9Å; P90-R92 PolarHBondContact O-N 3.32Å
93	R	92.9	Very high	90.5	Very high	154 Å²	154	58 Å²	58	58%	0.581	31%	0.314	S	S	*	.			trans	-79.6	145.8	-177.7	-68	-179.6	-177.3	-173.8	7.8	111.2	N89 E91	N89-R93 PolarHBondContact ND2-N 3.33Å; N89-R93 PolarHBondContact ND2-O 2.81Å; N89-R93 PolarHBondContact OD1-N 3.21Å; E91-R93 HydrophobicContact CB-CG 3.85Å; E91-R93 VanDerWaalsContact CD-CZ 3.43Å; E91-R93 PolarHBondContact O-N 3.2Å; E91-R93 VanDerWaalsContact O-N 3.13Å; E91-R93 IonicContact OE1-CZ 3.47Å; E91-R93 IonicContact OE1-NE 3.46Å; E91-R93 PolarHBondContact OE1-NE 2.9Å; E91-R93 IonicContact OE1-NH2 2.66Å; E91-R93 PolarHBondContact OE1-NH2 2.81Å; E91-R93 IonicContact OE2-CZ 3.41Å; E91-R93 IonicContact OE2-NE 3.55Å; E91-R93 PolarHBondContact OE2-NE 3.17Å; E91-R93 IonicContact OE2-NH1 3.31Å; E91-R93 IonicContact OE2-NH2 3.1Å; E91-R93 PolarHBondContact OE2-NH2 2.86Å; E91-R93 VanDerWaalsContact OE2-NH2 3.1Å
94	C	96.1	Very high	89.8	Confident	29 Å²	29	62.1 Å²	62.1	20%	0.196	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	149.2	173.5	-58.3	0	0	0	0	110	F45 F82 C84	F45-C94 HydrophobicContact CE2-CB 4.22Å; F45-C94 HydrophobicContact CZ-CB 4.17Å; F82-C94 HydrophobicContact CB-CB 4.42Å; C84-C94 HydrophobicContact CB-CB 4.03Å; C84-C94 WeakPolarHBondContact CB-SG 2.96Å; C84-C94 WeakPolarHBondContact SG-CB 3.46Å; C84-C94 CovalentContact SG-SG 2.03Å; C84-C94 PolarHBondContact SG-SG 2.66Å
95	T	95.6	Very high	88.8	Confident	74 Å²	74	64.7 Å²	64.7	45%	0.454	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.6	-177.6	53.6	0	0	0	0	110.5	F82 K83	F82-T95 CarbonylContact C-O 3.59Å; F82-T95 VanDerWaalsContact CA-O 3.25Å; F82-T95 WeakPolarHBondContact CA-O 3.22Å; K83-T95 WeakPolarHBondContact CG-OG1 3.23Å; K83-T95 PolarHBondContact N-O 3.13Å; K83-T95 PolarHBondContact O-N 3.06Å; K83-T95 PolarHBondContact O-OG1 2.9Å
96	E	95.4	Very high	88.4	Confident	24 Å²	24	65.4 Å²	65.4	11%	0.112	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	143.6	174	-167.5	-175.8	160	0	0	110	S69 T70 Y71 A80 F82	S69-E96 VanDerWaalsContact CA-OE1 3.23Å; S69-E96 WeakPolarHBondContact CA-OE1 3.44Å; S69-E96 WeakPolarHBondContact CB-OE1 3.35Å; S69-E96 PolarHBondContact OG-OE1 2.9Å; T70-E96 WeakPolarHBondContact CB-OE2 3.36Å; T70-E96 WeakPolarHBondContact CG2-OE2 3.34Å; T70-E96 PolarHBondContact N-OE1 2.83Å; T70-E96 PolarHBondContact N-OE2 3.23Å; T70-E96 PolarHBondContact OG1-OE2 3.12Å; Y71-E96 HydrophobicContact CD2-CB 4.46Å; Y71-E96 HydrophobicContact CD2-CG 3.95Å; Y71-E96 WeakPolarHBondContact CD2-OE1 3.15Å; Y71-E96 HydrophobicContact CE2-CB 4.02Å; Y71-E96 HydrophobicContact CE2-CG 4Å; A80-E96 HydrophobicContact CB-CG 4.07Å; F82-E96 HydrophobicContact CD1-CB 4.2Å; F82-E96 HydrophobicContact CE1-CB 3.87Å; F82-E96 HydrophobicContact CE1-CG 4.42Å; F82-E96 HydrophobicContact CZ-CB 4.36Å; F82-E96 HydrophobicContact CZ-CG 4.44Å
97	M	94.4	Very high	88	Confident	8 Å²	8	69.3 Å²	69.3	4%	0.039	37%	0.369	C	S	.	.			trans	-97.2	121.3	175.6	-65.3	-177.5	54.6	0	0	110.9	I61 V81 K83 L99 I162 L166	I61-M97 HydrophobicContact CD1-SD 4.33Å; I61-M97 HydrophobicContact CG2-SD 4.44Å; V81-M97 HydrophobicContact CG1-SD 4.01Å; V81-M97 WeakPolarHBondContact O-CB 3.43Å; V81-M97 PolarHBondContact O-N 3.35Å; K83-M97 HydrophobicContact CB-CG 4.15Å; K83-M97 HydrophobicContact CB-SD 3.93Å; K83-M97 HydrophobicContact CD-CG 3.81Å; K83-M97 HydrophobicContact CD-SD 4.04Å; K83-M97 HydrophobicContact CG-CG 3.84Å; K83-M97 HydrophobicContact CG-SD 4.2Å; M97-L99 HydrophobicContact CB-CD2 4.29Å; M97-L99 PolarHBondContact O-N 2.97Å; M97-I162 HydrophobicContact CE-CD1 4.25Å; M97-I162 HydrophobicContact CE-CG2 3.76Å; M97-L166 HydrophobicContact CE-CB 3.83Å; M97-L166 HydrophobicContact CE-CD2 3.98Å; M97-L166 HydrophobicContact CE-CG 4.47Å
98	D	92.4	Very high	88	Confident	83 Å²	83	70.7 Å²	70.7	44%	0.444	39%	0.385	S	S	.	.			trans	-67.1	114.7	165.2	-173.8	7.5	0	0	0	109.4	Y71 G100	Y71-D98 HydrophobicContact CD1-CB 3.8Å; Y71-D98 HydrophobicContact CD2-CB 3.93Å; Y71-D98 HydrophobicContact CE1-CB 3.78Å; Y71-D98 HydrophobicContact CE2-CB 3.9Å; Y71-D98 HydrophobicContact CG-CB 3.88Å; D98-G100 VanDerWaalsContact C-N 3.3Å; D98-G100 WeakPolarHBondContact OD1-CA 3.48Å; D98-G100 PolarHBondContact OD1-N 3.47Å
99	L	90.8	Very high	88	Confident	14 Å²	14	68.9 Å²	68.9	7%	0.073	37%	0.372	C	S	.	.			trans	-87.7	1	176.1	-57.3	-178	0	0	0	112.4	V81 M97 R101 M122 I162 T170	V81-L99 HydrophobicContact CG2-CD1 4.49Å; M97-L99 HydrophobicContact CB-CD2 4.29Å; M97-L99 PolarHBondContact O-N 2.97Å; L99-R101 HydrophobicContact CB-CG 3.97Å; L99-M122 HydrophobicContact CD1-CE 4.09Å; L99-M122 HydrophobicContact CD1-CG 3.77Å; L99-M122 HydrophobicContact CD1-SD 3.79Å; L99-I162 HydrophobicContact CD2-CD1 3.63Å; L99-I162 HydrophobicContact CD2-CG1 4.1Å; L99-T170 HydrophobicContact CB-CG2 4.31Å; L99-T170 HydrophobicContact CD2-CG2 4.32Å; L99-T170 WeakPolarHBondContact O-CG2 3.26Å; L99-T170 PolarHBondContact O-OG1 2.86Å
100	G	85.9	Confident	87.9	Confident	58 Å²	58	69 Å²	69	60%	0.598	38%	0.379	S	S	*	.	S	Bend	trans	77.2	24.8	-178.8	0	0	0	0	0	114.1	D98	D98-G100 VanDerWaalsContact C-N 3.3Å; D98-G100 WeakPolarHBondContact OD1-CA 3.48Å; D98-G100 PolarHBondContact OD1-N 3.47Å
101	R	84.4	Confident	88.2	Confident	29 Å²	29	70 Å²	70	11%	0.109	37%	0.373	C	S	.	.			trans	-100.5	-15.3	-170.2	-57.8	177.8	80.2	-130.9	3.4	114.3	L99 R117 E120 Y158	L99-R101 HydrophobicContact CB-CG 3.97Å; R101-R117 PolarHBondContact O-NH1 2.83Å; R101-E120 IonicContact CZ-OE1 2.68Å; R101-E120 IonicContact CZ-OE2 2.64Å; R101-E120 IonicContact NH1-OE1 2.9Å; R101-E120 PolarHBondContact NH1-OE1 2.85Å; R101-E120 IonicContact NH1-OE2 2.61Å; R101-E120 PolarHBondContact NH1-OE2 3.47Å; R101-E120 IonicContact NH2-OE1 2.76Å; R101-E120 IonicContact NH2-OE2 2.62Å; R101-E120 PolarHBondContact NH2-OE2 2.81Å; R101-Y158 VanDerWaalsContact CZ-CE1 3.49Å; R101-Y158 VanDerWaalsContact NE-CE1 3.28Å; R101-Y158 VanDerWaalsContact NE-CZ 3.34Å; R101-Y158 PolarHBondContact NE-OH 3.47Å; R101-Y158 VanDerWaalsContact NE-OH 3.1Å; R101-Y158 VanDerWaalsContact NH2-CE1 3.29Å
102	G	83.2	Confident	88.4	Confident	34 Å²	34	64.2 Å²	64.2	35%	0.351	35%	0.346	S	S	.	.			trans	63	-176.6	170	0	0	0	0	0	116.8	Y71 S72 K104 R117	Y71-G102 CarbonylContact O-C 3.35Å; S72-G102 PolarHBondContact OG-O 2.03Å; G102-K104 PolarHBondContact O-N 2.77Å; G102-R117 PolarHBondContact O-NH1 2.86Å
103	N	82.8	Confident	88.3	Confident	81 Å²	81	59.7 Å²	59.7	43%	0.433	33%	0.329	S	S	.	.	S	Bend	trans	-88.6	16.9	-172	-74.4	-32.9	0	0	0	115.4	Y71 S72 S73 S74 P105	Y71-N103 PolarHBondContact O-OD1 3.13Å; S72-N103 WeakPolarHBondContact CA-OD1 3.32Å; S72-N103 PolarHBondContact N-OD1 3.05Å; S73-N103 PolarHBondContact N-OD1 3.07Å; S73-N103 PolarHBondContact OG-OD1 2.83Å; S74-N103 WeakPolarHBondContact CB-O 3.36Å; N103-P105 WeakPolarHBondContact O-CD 3.26Å
104	K	82.1	Confident	88.3	Confident	116 Å²	116	55.6 Å²	55.6	50%	0.504	32%	0.316	S	S	.	.			trans	-86.2	123.6	176.3	-64.2	-178.3	-164.4	164	0	110.4	G102 E107	G102-K104 PolarHBondContact O-N 2.77Å; K104-E107 HydrophobicContact CD-CB 4.48Å; K104-E107 HydrophobicContact CD-CG 4.49Å; K104-E107 WeakPolarHBondContact CD-OE1 3.23Å; K104-E107 WeakPolarHBondContact CE-OE1 3.09Å; K104-E107 IonicContact NZ-OE1 3.93Å; K104-E107 PolarHBondContact NZ-OE1 3.35Å
105	P	75.5	Confident	88.1	Confident	54 Å²	54	54.3 Å²	54.3	35%	0.351	31%	0.308	S	S	.	.	S	Bend	trans	-74.6	-33.5	173.5	28.6	-33.2	0	0	0	112.5	V75 N103 R117	V75-P105 HydrophobicContact CG2-CB 4.29Å; N103-P105 WeakPolarHBondContact O-CD 3.26Å; P105-R117 PolarHBondContact O-N 2.76Å
106	R	84.3	Confident	88	Confident	103 Å²	103	51.6 Å²	51.6	39%	0.389	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.2	171.5	-65.9	-170.1	-178.3	-159.5	3	111.3	Q114 G115 D116 D149	R106-Q114 HydrophobicContact CB-CG 4.05Å; R106-Q114 HydrophobicContact CG-CG 4.49Å; R106-Q114 VanDerWaalsContact NH1-OE1 3.12Å; R106-G115 VanDerWaalsContact CA-O 3.25Å; R106-G115 WeakPolarHBondContact CA-O 3.49Å; R106-D116 HydrophobicContact CG-CB 4.37Å; R106-D149 IonicContact CZ-OD2 3.27Å; R106-D149 VanDerWaalsContact CZ-OD2 3.32Å; R106-D149 IonicContact NH1-OD2 2.7Å; R106-D149 PolarHBondContact NH1-OD2 2.74Å; R106-D149 IonicContact NH2-OD2 3.48Å; R106-D149 PolarHBondContact NH2-OD2 3.11Å
107	E	85.4	Confident	87.8	Confident	89 Å²	89	51.2 Å²	51.2	42%	0.416	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	147.9	175.6	-176.6	152	-115.6	0	0	111.6	K104 Q114 G115	K104-E107 HydrophobicContact CD-CB 4.48Å; K104-E107 HydrophobicContact CD-CG 4.49Å; K104-E107 WeakPolarHBondContact CD-OE1 3.23Å; K104-E107 WeakPolarHBondContact CE-OE1 3.09Å; K104-E107 IonicContact NZ-OE1 3.93Å; K104-E107 PolarHBondContact NZ-OE1 3.35Å; E107-Q114 CarbonylContact O-C 3.53Å; E107-Q114 WeakPolarHBondContact O-CA 3.27Å; E107-G115 PolarHBondContact N-O 3.41Å; E107-G115 VanDerWaalsContact N-O 3.09Å; E107-G115 PolarHBondContact O-N 3.45Å
108	S	88.1	Confident	87.8	Confident	93 Å²	93	53.3 Å²	53.3	65%	0.65	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	134.4	177.9	-176.3	0	0	0	0	111.4	G110 C113	S108-G110 PolarHBondContact OG-O 3Å; S108-C113 WeakPolarHBondContact CA-O 3.41Å; S108-C113 PolarHBondContact OG-O 3.07Å
109	C	86.8	Confident	87.8	Confident	48 Å²	48	51.9 Å²	51.9	32%	0.324	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	8.9	-171	36.5	0	0	0	0	113.9	C113 G115 I174	C109-C113 HydrophobicContact CB-CB 3.85Å; C109-C113 WeakPolarHBondContact CB-SG 3.14Å; C109-C113 PolarHBondContact N-O 2.87Å; C109-C113 VanDerWaalsContact N-O 3.12Å; C109-C113 VanDerWaalsContact SG-C 3.56Å; C109-C113 WeakPolarHBondContact SG-CB 3.29Å; C109-C113 CovalentContact SG-SG 2.03Å; C109-C113 PolarHBondContact SG-SG 3.44Å; C109-G115 PolarHBondContact SG-N 2.65Å; C109-G115 VanDerWaalsContact SG-N 3.41Å; C109-I174 HydrophobicContact CB-CD1 4.11Å
110	G	87.8	Confident	88	Confident	27 Å²	27	51.2 Å²	51.2	28%	0.278	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	158.2	173.1	-166.8	0	0	0	0	0	110.9	S108 T112 C113	S108-G110 PolarHBondContact OG-O 3Å; G110-T112 VanDerWaalsContact C-N 3.26Å; G110-T112 PolarHBondContact O-N 3.39Å; G110-C113 PolarHBondContact O-N 2.86Å
111	K	90.5	Very high	88.5	Confident	132 Å²	132	50.5 Å²	50.5	57%	0.574	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.6	-172.4	-55.7	-167.7	-165.1	87.5	0	113	Y147 Y177 D179 Y180	K111-Y147 VanDerWaalsContact O-CE2 3.3Å; K111-Y147 WeakPolarHBondContact O-CE2 3.28Å; K111-Y147 PolarHBondContact O-OH 2.83Å; K111-Y177 PolarHBondContact N-OH 2.81Å; K111-D179 WeakPolarHBondContact CB-OD1 3.46Å; K111-D179 WeakPolarHBondContact CG-OD2 3.19Å; K111-D179 PolarHBondContact N-OD1 3.18Å; K111-D179 IonicContact NZ-OD2 3.39Å; K111-D179 PolarHBondContact NZ-OD2 3.42Å; K111-Y180 WeakPolarHBondContact CD-OH 3.49Å
112	T	90.7	Very high	89.1	Confident	4 Å²	4	49.3 Å²	49.3	3%	0.025	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	37.2	179.1	59.5	0	0	0	0	110.6	G110 N145 Y147 Y148 Y177 Y180	G110-T112 VanDerWaalsContact C-N 3.26Å; G110-T112 PolarHBondContact O-N 3.39Å; T112-N145 PolarHBondContact O-ND2 3Å; T112-Y147 VanDerWaalsContact C-CG 3.43Å; T112-Y147 HydrophobicContact CG2-CE1 4.06Å; T112-Y147 WeakPolarHBondContact O-CB 3.48Å; T112-Y148 VanDerWaalsContact CB-OH 3.3Å; T112-Y148 WeakPolarHBondContact CB-OH 3.45Å; T112-Y148 WeakPolarHBondContact CG2-OH 3.06Å; T112-Y177 PolarHBondContact N-OH 2.76Å; T112-Y177 PolarHBondContact OG1-OH 2.84Å; T112-Y180 HydrophobicContact CG2-CD1 3.67Å; T112-Y180 HydrophobicContact CG2-CE1 3.98Å; T112-Y180 HydrophobicContact CG2-CG 4.32Å; T112-Y180 PolarHBondContact OG1-N 3.32Å
113	C	89.9	Confident	89.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	115.1	-175.7	-159.4	0	0	0	0	110.7	S108 C109 G110 N145 Y177	S108-C113 WeakPolarHBondContact CA-O 3.41Å; S108-C113 PolarHBondContact OG-O 3.07Å; C109-C113 HydrophobicContact CB-CB 3.85Å; C109-C113 WeakPolarHBondContact CB-SG 3.14Å; C109-C113 PolarHBondContact N-O 2.87Å; C109-C113 VanDerWaalsContact N-O 3.12Å; C109-C113 VanDerWaalsContact SG-C 3.56Å; C109-C113 WeakPolarHBondContact SG-CB 3.29Å; C109-C113 CovalentContact SG-SG 2.03Å; C109-C113 PolarHBondContact SG-SG 3.44Å; G110-C113 PolarHBondContact O-N 2.86Å; C113-N145 WeakPolarHBondContact CA-OD1 3.47Å; C113-Y177 HydrophobicContact CB-CD2 3.96Å; C113-Y177 HydrophobicContact CB-CE1 4.27Å; C113-Y177 HydrophobicContact CB-CE2 3.39Å
114	Q	92.8	Very high	90.5	Very high	67 Å²	67	44.1 Å²	44.1	31%	0.313	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	102.4	163.2	-173.9	176.7	50.8	0	0	106.4	R106 E107 N145 V146 Y147	R106-Q114 HydrophobicContact CB-CG 4.05Å; R106-Q114 HydrophobicContact CG-CG 4.49Å; R106-Q114 VanDerWaalsContact NH1-OE1 3.12Å; E107-Q114 CarbonylContact O-C 3.53Å; E107-Q114 WeakPolarHBondContact O-CA 3.27Å; Q114-N145 PolarHBondContact N-OD1 2.88Å; Q114-N145 WeakPolarHBondContact O-CA 3.43Å; Q114-N145 PolarHBondContact O-OD1 3.4Å; Q114-V146 HydrophobicContact CB-CG2 4.31Å; Q114-V146 HydrophobicContact CG-CG2 4.16Å; Q114-V146 VanDerWaalsContact O-CG2 3.29Å; Q114-V146 WeakPolarHBondContact O-CG2 3.31Å; Q114-V146 PolarHBondContact O-N 3.11Å; Q114-Y147 HydrophobicContact CB-CD2 4.46Å
115	G	91.3	Very high	91.3	Very high	3 Å²	3	39.2 Å²	39.2	3%	0.031	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	128.8	178.5	0	0	0	0	0	110.7	R106 E107 C109 K144	R106-G115 VanDerWaalsContact CA-O 3.25Å; R106-G115 WeakPolarHBondContact CA-O 3.49Å; E107-G115 PolarHBondContact N-O 3.41Å; E107-G115 VanDerWaalsContact N-O 3.09Å; E107-G115 PolarHBondContact O-N 3.45Å; C109-G115 PolarHBondContact SG-N 2.65Å; C109-G115 VanDerWaalsContact SG-N 3.41Å; G115-K144 WeakPolarHBondContact CA-O 3.45Å
116	D	92.4	Very high	92.3	Very high	16 Å²	16	37.6 Å²	37.6	9%	0.086	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.8	170	174.9	0.8	0	0	0	109.1	R106 D118 K144 V146	R106-D116 HydrophobicContact CG-CB 4.37Å; D116-D118 PolarHBondContact OD1-N 2.88Å; D116-K144 HydrophobicContact CB-CD 4.08Å; D116-K144 HydrophobicContact CB-CG 4.1Å; D116-K144 PolarHBondContact N-O 2.84Å; D116-K144 WeakPolarHBondContact O-CG 3.31Å; D116-K144 IonicContact OD1-NZ 3.04Å; D116-K144 PolarHBondContact OD1-NZ 2.8Å; D116-K144 VanDerWaalsContact OD2-CE 3.32Å; D116-K144 WeakPolarHBondContact OD2-CE 3.45Å; D116-K144 IonicContact OD2-NZ 3.57Å; D116-K144 PolarHBondContact OD2-NZ 2.04Å; D116-V146 HydrophobicContact CB-CB 4.29Å; D116-V146 HydrophobicContact CB-CG1 3.62Å; D116-V146 HydrophobicContact CB-CG2 3.64Å
117	R	92.7	Very high	92.9	Very high	16 Å²	16	33.1 Å²	33.1	6%	0.06	18%	0.182	C	C	.	.			trans	-105.5	-6.3	-169.9	-66.7	-177.4	57.4	-147.5	-14.1	114.2	S72 V75 R101 G102 P105 D119 E120	S72-R117 PolarHBondContact OG-NH1 2.79Å; S72-R117 VanDerWaalsContact OG-NH1 3.13Å; S72-R117 PolarHBondContact OG-NH2 3.09Å; V75-R117 VanDerWaalsContact CG1-C 3.44Å; V75-R117 HydrophobicContact CG1-CB 3.58Å; V75-R117 WeakPolarHBondContact CG1-O 3.41Å; R101-R117 PolarHBondContact O-NH1 2.83Å; G102-R117 PolarHBondContact O-NH1 2.86Å; P105-R117 PolarHBondContact O-N 2.76Å; R117-D119 PolarHBondContact O-N 3.09Å; R117-E120 WeakPolarHBondContact CB-OE1 3.5Å; R117-E120 IonicContact CZ-OE1 2.75Å; R117-E120 IonicContact NE-OE1 2.66Å; R117-E120 PolarHBondContact NE-OE1 2.79Å; R117-E120 IonicContact NE-OE2 2.63Å; R117-E120 IonicContact NH2-OE1 2.76Å; R117-E120 PolarHBondContact NH2-OE1 2.99Å; R117-E120 VanDerWaalsContact NH2-OE1 3.16Å; R117-E120 WeakPolarHBondContact O-CB 3.48Å; R117-E120 VanDerWaalsContact O-CG 3.26Å; R117-E120 WeakPolarHBondContact O-CG 3.32Å; R117-E120 PolarHBondContact O-N 2.77Å
118	D	93.1	Very high	93.3	Very high	52 Å²	52	31 Å²	31	28%	0.278	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	128.1	176.2	-80	-3.7	0	0	0	110.3	V75 R76 D116 E120 K144	V75-D118 WeakPolarHBondContact CG1-OD1 3.26Å; R76-D118 HydrophobicContact CB-CB 4.36Å; R76-D118 PolarHBondContact N-OD1 2.78Å; D116-D118 PolarHBondContact OD1-N 2.88Å; D118-E120 VanDerWaalsContact C-N 3.27Å; D118-E120 PolarHBondContact O-N 2.98Å; D118-K144 WeakPolarHBondContact O-CE 3.41Å; D118-K144 PolarHBondContact O-NZ 3.4Å; D118-K144 VanDerWaalsContact O-NZ 3.13Å
119	D	94.3	Very high	93.6	Very high	54 Å²	54	27.4 Å²	27.4	29%	0.289	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	25.6	-178	-80.9	-68.7	0	0	0	115.1	R76 R117 W121 R142	R76-D119 PolarHBondContact O-N 2.87Å; R117-D119 PolarHBondContact O-N 3.09Å; D119-W121 VanDerWaalsContact C-N 3.3Å; D119-W121 VanDerWaalsContact O-CD1 3.29Å; D119-W121 PolarHBondContact O-N 3.14Å; D119-R142 WeakPolarHBondContact O-CB 3.42Å; D119-R142 PolarHBondContact O-NH1 2.79Å; D119-R142 VanDerWaalsContact O-NH1 3.11Å; D119-R142 IonicContact OD1-NH1 3.18Å
120	E	94.3	Very high	93.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.			trans	-67	-19.2	-173.7	69.3	-179.2	146.1	0	0	116	P78 R101 R117 D118 M122 A140 R142 W143	P78-E120 HydrophobicContact CB-CG 4.05Å; P78-E120 WeakPolarHBondContact CB-OE1 3.48Å; P78-E120 WeakPolarHBondContact O-CG 3.36Å; R101-E120 IonicContact CZ-OE1 2.68Å; R101-E120 IonicContact CZ-OE2 2.64Å; R101-E120 IonicContact NH1-OE1 2.9Å; R101-E120 PolarHBondContact NH1-OE1 2.85Å; R101-E120 IonicContact NH1-OE2 2.61Å; R101-E120 PolarHBondContact NH1-OE2 3.47Å; R101-E120 IonicContact NH2-OE1 2.76Å; R101-E120 IonicContact NH2-OE2 2.62Å; R101-E120 PolarHBondContact NH2-OE2 2.81Å; R117-E120 WeakPolarHBondContact CB-OE1 3.5Å; R117-E120 IonicContact CZ-OE1 2.75Å; R117-E120 IonicContact NE-OE1 2.66Å; R117-E120 PolarHBondContact NE-OE1 2.79Å; R117-E120 IonicContact NE-OE2 2.63Å; R117-E120 IonicContact NH2-OE1 2.76Å; R117-E120 PolarHBondContact NH2-OE1 2.99Å; R117-E120 VanDerWaalsContact NH2-OE1 3.16Å; R117-E120 WeakPolarHBondContact O-CB 3.48Å; R117-E120 VanDerWaalsContact O-CG 3.26Å; R117-E120 WeakPolarHBondContact O-CG 3.32Å; R117-E120 PolarHBondContact O-N 2.77Å; D118-E120 VanDerWaalsContact C-N 3.27Å; D118-E120 PolarHBondContact O-N 2.98Å; E120-M122 HydrophobicContact CG-CB 4.5Å; E120-A140 HydrophobicContact CB-CB 4.25Å; E120-A140 HydrophobicContact CG-CB 4.15Å; E120-A140 CarbonylContact O-C 3.6Å; E120-A140 VanDerWaalsContact O-C 3.23Å; E120-A140 WeakPolarHBondContact O-CA 3.48Å; E120-A140 WeakPolarHBondContact O-CB 3.41Å; E120-R142 PolarHBondContact O-N 2.96Å; E120-R142 VanDerWaalsContact O-N 3.15Å; E120-W143 HydrophobicContact CB-CB 4.09Å
121	W	97.1	Very high	93.4	Very high	43 Å²	43	33 Å²	33	16%	0.163	16%	0.155	C	C	.	.			trans	62.5	47.8	179.5	-78.6	33.8	0	0	0	114.6	P65 K66 P78 D119 G123 V124 A140 H141 R142	P65-W121 HydrophobicContact CB-CB 3.94Å; P65-W121 HydrophobicContact CB-CD2 3.85Å; P65-W121 HydrophobicContact CB-CE3 3.88Å; P65-W121 HydrophobicContact CB-CG 3.89Å; P65-W121 WeakPolarHBondContact O-CA 3.43Å; K66-W121 HydrophobicContact CG-CZ2 4.39Å; P78-W121 PolarHBondContact O-N 3.23Å; D119-W121 VanDerWaalsContact C-N 3.3Å; D119-W121 VanDerWaalsContact O-CD1 3.29Å; D119-W121 PolarHBondContact O-N 3.14Å; W121-G123 PolarHBondContact O-N 3.18Å; W121-V124 HydrophobicContact CE3-CG2 4.36Å; W121-V124 WeakPolarHBondContact O-CB 3.37Å; W121-V124 PolarHBondContact O-N 2.94Å; W121-A140 WeakPolarHBondContact O-CA 3.25Å; W121-H141 AromaticContact CE3-CE1 3.82Å; W121-R142 VanDerWaalsContact CD1-NH1 3.3Å
122	M	97	Very high	92.5	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	128.3	170.9	178.8	55.2	74.7	0	0	111.3	P78 G79 A80 V81 L99 E120 A138 C139 A140 Y158	P78-M122 WeakPolarHBondContact O-CB 3.47Å; P78-M122 PolarHBondContact O-N 3.44Å; G79-M122 CarbonylContact C-O 3.46Å; G79-M122 WeakPolarHBondContact CA-O 3.32Å; A80-M122 PolarHBondContact N-O 3.14Å; V81-M122 HydrophobicContact CG2-CG 4.38Å; V81-M122 HydrophobicContact CG2-SD 4.49Å; L99-M122 HydrophobicContact CD1-CE 4.09Å; L99-M122 HydrophobicContact CD1-CG 3.77Å; L99-M122 HydrophobicContact CD1-SD 3.79Å; E120-M122 HydrophobicContact CG-CB 4.5Å; M122-A138 HydrophobicContact SD-CB 4.19Å; M122-C139 CarbonylContact C-O 3.49Å; M122-C139 WeakPolarHBondContact CA-O 3.36Å; M122-A140 HydrophobicContact CB-CB 4.12Å; M122-A140 HydrophobicContact CE-CB 3.87Å; M122-A140 HydrophobicContact SD-CB 4.41Å; M122-Y158 HydrophobicContact CE-CD1 3.74Å; M122-Y158 HydrophobicContact CE-CE1 3.65Å
123	G	96.8	Very high	92	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.4	14.1	-172	0	0	0	0	0	114.1	S48 G63 W121 S125 C139	S48-G123 PolarHBondContact OG-O 2.87Å; G63-G123 WeakPolarHBondContact CA-O 3.48Å; W121-G123 PolarHBondContact O-N 3.18Å; G123-S125 VanDerWaalsContact C-N 3.31Å; G123-S125 PolarHBondContact O-N 2.96Å; G123-C139 PolarHBondContact N-O 3.49Å
124	V	97.6	Very high	92	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	-39.6	174	69.6	0	0	0	0	111.9	Y47 W121 C139 H141 G194	Y47-V124 HydrophobicContact CD1-CG2 4.29Å; Y47-V124 WeakPolarHBondContact CD1-O 3.4Å; Y47-V124 HydrophobicContact CE1-CB 4.49Å; Y47-V124 HydrophobicContact CE1-CG2 3.57Å; Y47-V124 WeakPolarHBondContact CE1-O 3.46Å; W121-V124 HydrophobicContact CE3-CG2 4.36Å; W121-V124 WeakPolarHBondContact O-CB 3.37Å; W121-V124 PolarHBondContact O-N 2.94Å; V124-C139 HydrophobicContact CG1-CB 4.45Å; V124-C139 PolarHBondContact N-O 2.61Å; V124-H141 HydrophobicContact CG1-CB 4.08Å; V124-G194 VanDerWaalsContact CG1-O 3.29Å; V124-G194 WeakPolarHBondContact CG1-O 3.3Å
125	S	97.9	Very high	92.1	Very high	12 Å²	12	33.3 Å²	33.3	8%	0.084	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.3	175	70.1	0	0	0	0	110.7	G123 C139 G194	G123-S125 VanDerWaalsContact C-N 3.31Å; G123-S125 PolarHBondContact O-N 2.96Å; S125-C139 PolarHBondContact O-N 2.9Å; S125-G194 PolarHBondContact OG-O 2.88Å
126	L	97.7	Very high	92.4	Very high	21 Å²	21	33.2 Å²	33.2	11%	0.11	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143	176.4	-70.2	171.8	0	0	0	109.3	S48 L50 I61 V81 I136 L137 A138	S48-L126 WeakPolarHBondContact OG-CD1 3.41Å; S48-L126 WeakPolarHBondContact OG-CG 3.34Å; L50-L126 HydrophobicContact CB-CB 3.98Å; L50-L126 HydrophobicContact CB-CD1 4.23Å; L50-L126 HydrophobicContact CD2-CB 4.04Å; I61-L126 HydrophobicContact CG2-CD1 4.06Å; I61-L126 HydrophobicContact CG2-CD2 4.37Å; V81-L126 HydrophobicContact CG1-CD2 4.18Å; V81-L126 HydrophobicContact CG2-CD2 4.27Å; L126-I136 HydrophobicContact CD2-CG2 4.35Å; L126-L137 WeakPolarHBondContact CA-O 3.41Å; L126-A138 HydrophobicContact CD2-CB 3.72Å
127	A	96.6	Very high	92.6	Very high	9 Å²	9	32.4 Å²	32.4	7%	0.074	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	134.9	170.2	0	0	0	0	0	111.4	I136 L137 F199	A127-I136 CarbonylContact O-C 3.5Å; A127-I136 WeakPolarHBondContact O-CA 3.33Å; A127-L137 HydrophobicContact CB-CB 4.35Å; A127-L137 PolarHBondContact N-O 3.02Å; A127-L137 VanDerWaalsContact N-O 3.09Å; A127-L137 PolarHBondContact O-N 2.96Å; A127-F199 HydrophobicContact CB-CB 4.01Å
128	R	94.8	Very high	92.8	Very high	45 Å²	45	31.7 Å²	31.7	17%	0.17	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	133.3	172.6	-176	-179.3	54.5	65.5	-2.7	108.9	L50 E51 D130	L50-R128 HydrophobicContact CD1-CB 3.81Å; L50-R128 HydrophobicContact CD2-CB 3.96Å; L50-R128 HydrophobicContact CG-CB 4.17Å; E51-R128 PolarHBondContact O-NE 3.09Å; R128-D130 IonicContact CZ-OD1 3.03Å; R128-D130 IonicContact NH1-OD1 3.32Å; R128-D130 PolarHBondContact NH1-OD1 3.17Å; R128-D130 IonicContact NH2-OD1 2.71Å; R128-D130 PolarHBondContact O-N 3.49Å
129	Q	94.4	Very high	93.1	Very high	17 Å²	17	29.2 Å²	29.2	8%	0.079	16%	0.155	C	C	.	.			trans	-57.5	131.1	167.6	-175.5	-175	12.4	0	0	109.1	R131 K135 F199 T200 E201	Q129-R131 PolarHBondContact O-N 2.91Å; Q129-K135 HydrophobicContact CB-CB 4.48Å; Q129-K135 VanDerWaalsContact CB-O 3.31Å; Q129-K135 WeakPolarHBondContact CB-O 3.41Å; Q129-K135 PolarHBondContact N-O 3.36Å; Q129-F199 WeakPolarHBondContact CA-O 3.34Å; Q129-F199 HydrophobicContact CB-CD1 3.79Å; Q129-F199 HydrophobicContact CB-CD2 3.76Å; Q129-F199 HydrophobicContact CB-CE1 3.86Å; Q129-F199 HydrophobicContact CB-CE2 3.81Å; Q129-F199 HydrophobicContact CB-CG 3.76Å; Q129-F199 HydrophobicContact CB-CZ 3.88Å; Q129-F199 HydrophobicContact CG-CD2 3.83Å; Q129-F199 HydrophobicContact CG-CE2 3.67Å; Q129-F199 HydrophobicContact CG-CG 4.35Å; Q129-F199 HydrophobicContact CG-CZ 4.07Å; Q129-T200 WeakPolarHBondContact CG-O 3.45Å; Q129-E201 PolarHBondContact NE2-O 3.21Å
130	D	85.8	Confident	93.2	Very high	87 Å²	87	26.6 Å²	26.6	47%	0.465	14%	0.141	S	C	.	.	S	Bend	trans	-78.5	61.2	-166.8	-150.7	13.9	0	0	0	115.6	R128 F199	R128-D130 IonicContact CZ-OD1 3.03Å; R128-D130 IonicContact NH1-OD1 3.32Å; R128-D130 PolarHBondContact NH1-OD1 3.17Å; R128-D130 IonicContact NH2-OD1 2.71Å; R128-D130 PolarHBondContact O-N 3.49Å; D130-F199 PolarHBondContact N-O 2.88Å
131	R	84.8	Confident	93.3	Very high	106 Å²	106	27.5 Å²	27.5	40%	0.4	15%	0.145	S	C	.	.	S	Bend	trans	-142.8	155.9	176.6	-68	-177.9	170.2	160.4	-0.7	109.8	Q129 S133 G134 E201	Q129-R131 PolarHBondContact O-N 2.91Å; R131-S133 PolarHBondContact O-N 2.84Å; R131-G134 PolarHBondContact O-N 2.85Å; R131-E201 HydrophobicContact CG-CG 4.43Å; R131-E201 WeakPolarHBondContact CG-OE1 3.39Å; R131-E201 IonicContact CZ-OE1 3.47Å; R131-E201 IonicContact CZ-OE2 2.62Å; R131-E201 IonicContact NE-OE1 3.16Å; R131-E201 PolarHBondContact NE-OE1 2.79Å; R131-E201 IonicContact NE-OE2 3.89Å; R131-E201 IonicContact NH2-OE1 3.92Å; R131-E201 PolarHBondContact NH2-OE1 3.28Å; R131-E201 IonicContact NH2-OE2 3.91Å; R131-E201 PolarHBondContact NH2-OE2 2.66Å
132	A	70.4	Confident	93.3	Very high	79 Å²	79	30 Å²	30	65%	0.653	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-3.6	-173.6	0	0	0	0	0	116.7	F53	F53-A132 WeakPolarHBondContact CD1-O 3.35Å
133	S	80.7	Confident	93.2	Very high	52 Å²	52	30.4 Å²	30.4	36%	0.364	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-146.9	55.6	162.7	-78.8	0	0	0	0	108.6	H54 R131 P164	H54-S133 PolarHBondContact ND1-OG 3.2Å; R131-S133 PolarHBondContact O-N 2.84Å; S133-P164 WeakPolarHBondContact O-CB 3.31Å; S133-P164 WeakPolarHBondContact O-CG 3.38Å
134	G	90.4	Very high	93	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.164	C	C	.	.			trans	-65.6	152.4	-179.5	0	0	0	0	0	113.5	H52 R131 P164	H52-G134 PolarHBondContact CE1-O 2.78Å; R131-G134 PolarHBondContact O-N 2.85Å; G134-P164 WeakPolarHBondContact O-CB 3.45Å
135	K	94.8	Very high	92.8	Very high	78 Å²	78	32 Å²	32	34%	0.339	16%	0.162	S	C	.	.			trans	-68.1	164.3	163.5	-61.9	179.2	-168	175.1	0	110.2	Q129 I161 I162 P164 F199 M223	Q129-K135 HydrophobicContact CB-CB 4.48Å; Q129-K135 VanDerWaalsContact CB-O 3.31Å; Q129-K135 WeakPolarHBondContact CB-O 3.41Å; Q129-K135 PolarHBondContact N-O 3.36Å; K135-I161 HydrophobicContact CB-CG2 3.72Å; K135-I161 HydrophobicContact CD-CG2 3.61Å; K135-I161 HydrophobicContact CG-CG2 4.22Å; K135-I162 WeakPolarHBondContact CA-O 2.98Å; K135-I162 WeakPolarHBondContact CB-O 3.35Å; K135-P164 HydrophobicContact CG-CG 4.31Å; K135-F199 HydrophobicContact CB-CE1 3.66Å; K135-F199 HydrophobicContact CB-CZ 3.91Å; K135-F199 HydrophobicContact CD-CZ 4.47Å; K135-M223 HydrophobicContact CD-CE 4.35Å; K135-M223 HydrophobicContact CD-SD 4.44Å
136	I	96.2	Very high	92.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.9	176.3	-61.6	178.9	0	0	0	110.1	L50 H52 I61 L126 A127 I161 I162 L166	L50-I136 HydrophobicContact CD2-CD1 4.15Å; L50-I136 HydrophobicContact CD2-CG1 4.17Å; L50-I136 HydrophobicContact CD2-CG2 3.68Å; H52-I136 HydrophobicContact CB-CD1 4.1Å; I61-I136 HydrophobicContact CG1-CD1 3.81Å; I61-I136 HydrophobicContact CG2-CD1 4.49Å; L126-I136 HydrophobicContact CD2-CG2 4.35Å; A127-I136 CarbonylContact O-C 3.5Å; A127-I136 WeakPolarHBondContact O-CA 3.33Å; I136-I161 CarbonylContact O-C 3.48Å; I136-I161 WeakPolarHBondContact O-CA 3.03Å; I136-I162 HydrophobicContact CB-CB 4.25Å; I136-I162 HydrophobicContact CG2-CD1 4.45Å; I136-I162 PolarHBondContact N-O 3.18Å; I136-I162 PolarHBondContact O-N 3.17Å; I136-L166 HydrophobicContact CD1-CD2 3.73Å
137	L	97.4	Very high	92.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	131	165.8	-176.9	71.6	0	0	0	109.1	L126 A127 C159 I161 L173 F199 V204 M206	L126-L137 WeakPolarHBondContact CA-O 3.41Å; A127-L137 HydrophobicContact CB-CB 4.35Å; A127-L137 PolarHBondContact N-O 3.02Å; A127-L137 VanDerWaalsContact N-O 3.09Å; A127-L137 PolarHBondContact O-N 2.96Å; L137-C159 HydrophobicContact CD1-CB 3.83Å; L137-I161 HydrophobicContact CD1-CG1 4.46Å; L137-L173 HydrophobicContact CD1-CD1 4.21Å; L137-F199 HydrophobicContact CB-CD1 4.01Å; L137-V204 HydrophobicContact CD1-CG1 3.69Å; L137-V204 HydrophobicContact CD2-CG1 3.86Å; L137-V204 HydrophobicContact CG-CG1 4.32Å; L137-M206 HydrophobicContact CD2-CG 4.38Å
138	A	97.7	Very high	91.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.3	167.7	0	0	0	0	0	110.3	V81 M122 L126 C159 S160 I162	V81-A138 HydrophobicContact CG2-CB 4.02Å; M122-A138 HydrophobicContact SD-CB 4.19Å; L126-A138 HydrophobicContact CD2-CB 3.72Å; A138-C159 CarbonylContact O-C 3.48Å; A138-C159 WeakPolarHBondContact O-CA 3.26Å; A138-S160 PolarHBondContact N-O 2.98Å; A138-S160 PolarHBondContact O-N 3.27Å; A138-I162 HydrophobicContact CB-CD1 3.86Å
139	C	98	Very high	91	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	159.7	-173.3	-62.4	0	0	0	0	114.7	M122 G123 V124 S125 Y158 C159 G194	M122-C139 CarbonylContact C-O 3.49Å; M122-C139 WeakPolarHBondContact CA-O 3.36Å; G123-C139 PolarHBondContact N-O 3.49Å; V124-C139 HydrophobicContact CG1-CB 4.45Å; V124-C139 PolarHBondContact N-O 2.61Å; S125-C139 PolarHBondContact O-N 2.9Å; C139-Y158 CarbonylContact C-O 3.54Å; C139-Y158 WeakPolarHBondContact CA-O 3.42Å; C139-C159 HydrophobicContact CB-CB 4.08Å; C139-C159 WeakPolarHBondContact CB-SG 3.49Å; C139-C159 WeakPolarHBondContact SG-CB 3.5Å; C139-C159 CovalentContact SG-SG 2.04Å; C139-C159 PolarHBondContact SG-SG 2.87Å; C139-G194 WeakPolarHBondContact CB-O 3.49Å
140	A	97.1	Very high	90.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	74.5	-178.3	0	0	0	0	0	109.2	E120 W121 M122 R142 W143 Y158	E120-A140 HydrophobicContact CB-CB 4.25Å; E120-A140 HydrophobicContact CG-CB 4.15Å; E120-A140 CarbonylContact O-C 3.6Å; E120-A140 VanDerWaalsContact O-C 3.23Å; E120-A140 WeakPolarHBondContact O-CA 3.48Å; E120-A140 WeakPolarHBondContact O-CB 3.41Å; W121-A140 WeakPolarHBondContact O-CA 3.25Å; M122-A140 HydrophobicContact CB-CB 4.12Å; M122-A140 HydrophobicContact CE-CB 3.87Å; M122-A140 HydrophobicContact SD-CB 4.41Å; A140-R142 PolarHBondContact O-N 2.87Å; A140-R142 VanDerWaalsContact O-N 3.08Å; A140-W143 HydrophobicContact CB-CB 4.41Å; A140-W143 VanDerWaalsContact O-CB 3.29Å; A140-W143 WeakPolarHBondContact O-CB 3.35Å; A140-W143 PolarHBondContact O-N 2.84Å; A140-Y158 HydrophobicContact CB-CD1 4.37Å; A140-Y158 PolarHBondContact N-O 2.87Å; A140-Y158 PolarHBondContact O-N 2.84Å; A140-Y158 VanDerWaalsContact O-N 3.15Å
141	H	96.7	Very high	90.2	Very high	18 Å²	18	44.9 Å²	44.9	8%	0.083	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.8	-170.5	80.8	-61.2	0	0	0	115.5	W121 V124 Q192 I195	W121-H141 AromaticContact CE3-CE1 3.82Å; V124-H141 HydrophobicContact CG1-CB 4.08Å; H141-Q192 WeakPolarHBondContact O-CA 3.33Å; H141-Q192 WeakPolarHBondContact O-CB 3.29Å; H141-I195 HydrophobicContact CB-CB 4.1Å
142	R	95.9	Very high	90.2	Very high	97 Å²	97	43.3 Å²	43.3	37%	0.366	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-0.7	176.5	-66.1	179.2	68	-138.8	-5.8	113.3	D119 E120 W121 A140 K144	D119-R142 WeakPolarHBondContact O-CB 3.42Å; D119-R142 PolarHBondContact O-NH1 2.79Å; D119-R142 VanDerWaalsContact O-NH1 3.11Å; D119-R142 IonicContact OD1-NH1 3.18Å; E120-R142 PolarHBondContact O-N 2.96Å; E120-R142 VanDerWaalsContact O-N 3.15Å; W121-R142 VanDerWaalsContact CD1-NH1 3.3Å; A140-R142 PolarHBondContact O-N 2.87Å; A140-R142 VanDerWaalsContact O-N 3.08Å; R142-K144 PolarHBondContact O-N 3.1Å
143	W	95.3	Very high	91.1	Very high	10 Å²	10	44 Å²	44	4%	0.038	22%	0.217	C	C	.	.			trans	-56.3	137.9	172.5	-177.5	91	0	0	0	111.2	E120 A140 H156 G157 Y158 I174	E120-W143 HydrophobicContact CB-CB 4.09Å; A140-W143 HydrophobicContact CB-CB 4.41Å; A140-W143 VanDerWaalsContact O-CB 3.29Å; A140-W143 WeakPolarHBondContact O-CB 3.35Å; A140-W143 PolarHBondContact O-N 2.84Å; W143-H156 HydrophobicContact CE3-CB 4.42Å; W143-H156 HydrophobicContact CZ3-CB 4.17Å; W143-H156 PolarHBondContact O-N 2.93Å; W143-G157 PolarHBondContact O-N 2.84Å; W143-Y158 HydrophobicContact CG-CG 4.35Å; W143-I174 HydrophobicContact CE3-CG2 4.42Å; W143-I174 HydrophobicContact CH2-CD1 3.82Å; W143-I174 HydrophobicContact CH2-CG2 4.02Å; W143-I174 HydrophobicContact CZ2-CD1 4.14Å; W143-I174 HydrophobicContact CZ3-CD1 4.41Å; W143-I174 HydrophobicContact CZ3-CG2 3.64Å
144	K	93.1	Very high	91.7	Very high	39 Å²	39	41.5 Å²	41.5	17%	0.17	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137.2	-162.6	38.1	167.7	168.8	161.1	0	110.9	G115 D116 D118 R142 V146 I153 L154	G115-K144 WeakPolarHBondContact CA-O 3.45Å; D116-K144 HydrophobicContact CB-CD 4.08Å; D116-K144 HydrophobicContact CB-CG 4.1Å; D116-K144 PolarHBondContact N-O 2.84Å; D116-K144 WeakPolarHBondContact O-CG 3.31Å; D116-K144 IonicContact OD1-NZ 3.04Å; D116-K144 PolarHBondContact OD1-NZ 2.8Å; D116-K144 VanDerWaalsContact OD2-CE 3.32Å; D116-K144 WeakPolarHBondContact OD2-CE 3.45Å; D116-K144 IonicContact OD2-NZ 3.57Å; D116-K144 PolarHBondContact OD2-NZ 2.04Å; D118-K144 WeakPolarHBondContact O-CE 3.41Å; D118-K144 PolarHBondContact O-NZ 3.4Å; D118-K144 VanDerWaalsContact O-NZ 3.13Å; R142-K144 PolarHBondContact O-N 3.1Å; K144-V146 HydrophobicContact CD-CG1 4.2Å; K144-V146 HydrophobicContact CG-CG1 4.5Å; K144-I153 HydrophobicContact CB-CG2 3.82Å; K144-I153 HydrophobicContact CD-CG2 4.08Å; K144-I153 HydrophobicContact CG-CG2 4.5Å; K144-L154 WeakPolarHBondContact CA-O 3.24Å
145	N	93.1	Very high	91.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.2	164.9	178.9	15.7	0	0	0	108.9	T112 C113 Q114 Y147 L154	T112-N145 PolarHBondContact O-ND2 3Å; C113-N145 WeakPolarHBondContact CA-OD1 3.47Å; Q114-N145 PolarHBondContact N-OD1 2.88Å; Q114-N145 WeakPolarHBondContact O-CA 3.43Å; Q114-N145 PolarHBondContact O-OD1 3.4Å; N145-Y147 VanDerWaalsContact OD1-CB 3.26Å; N145-Y147 WeakPolarHBondContact OD1-CB 3.22Å; N145-Y147 PolarHBondContact OD1-N 2.86Å; N145-Y147 VanDerWaalsContact OD1-N 3.08Å; N145-L154 HydrophobicContact CB-CB 4.29Å; N145-L154 PolarHBondContact N-O 2.86Å; N145-L154 PolarHBondContact O-N 2.81Å
146	V	92.9	Very high	91.8	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	19%	0.19	C	C	.	.			trans	-116.6	16.2	-178.4	-61.9	0	0	0	0	112.3	Q114 D116 K144 Y148 D149 I153	Q114-V146 HydrophobicContact CB-CG2 4.31Å; Q114-V146 HydrophobicContact CG-CG2 4.16Å; Q114-V146 VanDerWaalsContact O-CG2 3.29Å; Q114-V146 WeakPolarHBondContact O-CG2 3.31Å; Q114-V146 PolarHBondContact O-N 3.11Å; D116-V146 HydrophobicContact CB-CB 4.29Å; D116-V146 HydrophobicContact CB-CG1 3.62Å; D116-V146 HydrophobicContact CB-CG2 3.64Å; K144-V146 HydrophobicContact CD-CG1 4.2Å; K144-V146 HydrophobicContact CG-CG1 4.5Å; V146-Y148 PolarHBondContact O-N 2.96Å; V146-Y148 VanDerWaalsContact O-N 3.13Å; V146-D149 HydrophobicContact CB-CB 4.13Å; V146-D149 WeakPolarHBondContact O-CB 3.36Å; V146-D149 PolarHBondContact O-N 2.97Å; V146-D149 VanDerWaalsContact O-N 3.12Å; V146-I153 HydrophobicContact CG1-CG1 4.43Å; V146-I153 HydrophobicContact CG1-CG2 4.17Å
147	Y	89.9	Confident	91.8	Very high	111 Å²	111	38.9 Å²	38.9	44%	0.435	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26	175.7	-171.7	-85.1	0	0	0	113	K111 T112 Q114 N145	K111-Y147 VanDerWaalsContact O-CE2 3.3Å; K111-Y147 WeakPolarHBondContact O-CE2 3.28Å; K111-Y147 PolarHBondContact O-OH 2.83Å; T112-Y147 VanDerWaalsContact C-CG 3.43Å; T112-Y147 HydrophobicContact CG2-CE1 4.06Å; T112-Y147 WeakPolarHBondContact O-CB 3.48Å; Q114-Y147 HydrophobicContact CB-CD2 4.46Å; N145-Y147 VanDerWaalsContact OD1-CB 3.26Å; N145-Y147 WeakPolarHBondContact OD1-CB 3.22Å; N145-Y147 PolarHBondContact OD1-N 2.86Å; N145-Y147 VanDerWaalsContact OD1-N 3.08Å
148	Y	85.7	Confident	91.7	Very high	27 Å²	27	40 Å²	40	11%	0.106	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	31.9	178.8	-60.2	-65.8	0	0	0	112.3	T112 V146 S150 E151 H152 L154 Q182	T112-Y148 VanDerWaalsContact CB-OH 3.3Å; T112-Y148 WeakPolarHBondContact CB-OH 3.45Å; T112-Y148 WeakPolarHBondContact CG2-OH 3.06Å; V146-Y148 PolarHBondContact O-N 2.96Å; V146-Y148 VanDerWaalsContact O-N 3.13Å; Y148-S150 PolarHBondContact O-N 2.57Å; Y148-E151 PolarHBondContact O-N 3.39Å; Y148-H152 CarbonylContact C-O 3.5Å; Y148-H152 PolarHBondContact O-N 2.89Å; Y148-H152 VanDerWaalsContact O-O 3.07Å; Y148-L154 HydrophobicContact CD2-CD1 4.4Å; Y148-Q182 HydrophobicContact CD1-CG 4.03Å; Y148-Q182 HydrophobicContact CD2-CB 4.46Å; Y148-Q182 HydrophobicContact CD2-CG 3.84Å; Y148-Q182 HydrophobicContact CE1-CG 3.63Å; Y148-Q182 HydrophobicContact CE2-CB 4.35Å; Y148-Q182 HydrophobicContact CE2-CG 3.4Å; Y148-Q182 HydrophobicContact CG-CG 4.13Å; Y148-Q182 PolarHBondContact OH-NE2 3.1Å
149	D	81.6	Confident	91.6	Very high	81 Å²	81	40 Å²	40	43%	0.433	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16.5	-169.6	64.3	6.6	0	0	0	116.3	R106 V146 E151	R106-D149 IonicContact CZ-OD2 3.27Å; R106-D149 VanDerWaalsContact CZ-OD2 3.32Å; R106-D149 IonicContact NH1-OD2 2.7Å; R106-D149 PolarHBondContact NH1-OD2 2.74Å; R106-D149 IonicContact NH2-OD2 3.48Å; R106-D149 PolarHBondContact NH2-OD2 3.11Å; V146-D149 HydrophobicContact CB-CB 4.13Å; V146-D149 WeakPolarHBondContact O-CB 3.36Å; V146-D149 PolarHBondContact O-N 2.97Å; V146-D149 VanDerWaalsContact O-N 3.12Å; D149-E151 VanDerWaalsContact C-N 3.28Å; D149-E151 PolarHBondContact O-N 3.46Å
150	S	81.1	Confident	91.5	Very high	111 Å²	111	40 Å²	40	78%	0.776	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-17.5	168.3	57.8	0	0	0	0	114.9	Y148	Y148-S150 PolarHBondContact O-N 2.57Å
151	E	81.4	Confident	91.5	Very high	130 Å²	130	40.3 Å²	40.3	61%	0.607	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.1	-54.9	-177	-63.6	-179.3	-173.2	0	0	111.8	Y148 D149	Y148-E151 PolarHBondContact O-N 3.39Å; D149-E151 VanDerWaalsContact C-N 3.28Å; D149-E151 PolarHBondContact O-N 3.46Å
152	H	84.1	Confident	91.5	Very high	74 Å²	74	39.6 Å²	39.6	34%	0.343	19%	0.193	S	C	.	.			trans	-147.2	134.1	-169.1	-70.5	-28	0	0	0	112.6	Y148 L154 Q182	Y148-H152 CarbonylContact C-O 3.5Å; Y148-H152 PolarHBondContact O-N 2.89Å; Y148-H152 VanDerWaalsContact O-O 3.07Å; H152-L154 HydrophobicContact CB-CD2 4.05Å; H152-Q182 PolarHBondContact CD2-O 3.09Å; H152-Q182 VanDerWaalsContact CD2-O 3.29Å
153	I	89.8	Confident	91.4	Very high	93 Å²	93	36.4 Å²	36.4	48%	0.477	19%	0.185	S	C	.	.			trans	-98	124.6	165.9	-62.7	175.8	0	0	0	107.5	K144 V146 P155 Y184	K144-I153 HydrophobicContact CB-CG2 3.82Å; K144-I153 HydrophobicContact CD-CG2 4.08Å; K144-I153 HydrophobicContact CG-CG2 4.5Å; V146-I153 HydrophobicContact CG1-CG1 4.43Å; V146-I153 HydrophobicContact CG1-CG2 4.17Å; I153-P155 VanDerWaalsContact O-CD 3.28Å; I153-P155 WeakPolarHBondContact O-CD 3.32Å; I153-Y184 WeakPolarHBondContact O-CD2 3.42Å
154	L	92.9	Very high	91.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-109.8	97.6	-170.9	-59.8	-179	0	0	0	111.3	K144 N145 Y148 H152 H156 Y184 G189	K144-L154 WeakPolarHBondContact CA-O 3.24Å; N145-L154 HydrophobicContact CB-CB 4.29Å; N145-L154 PolarHBondContact N-O 2.86Å; N145-L154 PolarHBondContact O-N 2.81Å; Y148-L154 HydrophobicContact CD2-CD1 4.4Å; H152-L154 HydrophobicContact CB-CD2 4.05Å; L154-H156 VanDerWaalsContact C-N 3.31Å; L154-H156 PolarHBondContact O-N 2.84Å; L154-Y184 HydrophobicContact CD2-CD2 4.47Å; L154-G189 CarbonylContact C-O 3.54Å; L154-G189 WeakPolarHBondContact CA-O 3.48Å; L154-G189 VanDerWaalsContact CB-O 3.3Å; L154-G189 WeakPolarHBondContact CB-O 2.95Å; L154-G189 WeakPolarHBondContact CD2-O 3.45Å
155	P	93.8	Very high	91.2	Very high	20 Å²	20	38.7 Å²	38.7	13%	0.13	20%	0.204	C	C	.	.			trans	-76.5	80.4	179.1	31.8	-34.4	0	0	0	110.8	I153 G157 Y184 G189 S190 C191 Q192	I153-P155 VanDerWaalsContact O-CD 3.28Å; I153-P155 WeakPolarHBondContact O-CD 3.32Å; P155-G157 VanDerWaalsContact C-N 3.3Å; P155-Y184 HydrophobicContact CG-CE2 3.95Å; P155-G189 WeakPolarHBondContact CD-O 3.31Å; P155-S190 CarbonylContact O-C 3.55Å; P155-S190 VanDerWaalsContact O-C 3.28Å; P155-C191 PolarHBondContact O-N 3.23Å; P155-Q192 HydrophobicContact CB-CG 4.08Å; P155-Q192 HydrophobicContact CG-CG 4.36Å; P155-Q192 PolarHBondContact O-N 2.98Å
156	H	94.3	Very high	91.2	Very high	3 Å²	3	39 Å²	39	1%	0.014	21%	0.206	C	C	.	.			trans	-69.7	-27.2	175.4	-60.3	-51.6	0	0	0	112.7	W143 L154 C176 Y177 H188 C191 Q192 A193	W143-H156 HydrophobicContact CE3-CB 4.42Å; W143-H156 HydrophobicContact CZ3-CB 4.17Å; W143-H156 PolarHBondContact O-N 2.93Å; L154-H156 VanDerWaalsContact C-N 3.31Å; L154-H156 PolarHBondContact O-N 2.84Å; H156-C176 HydrophobicContact CB-CB 4.06Å; H156-C176 PolarHBondContact ND1-O 3.25Å; H156-Y177 AromaticContact NE2-CD2 3.98Å; H156-H188 PolarHBondContact ND1-O 3.41Å; H156-C191 WeakPolarHBondContact O-CB 3.34Å; H156-Q192 PolarHBondContact O-N 3.35Å; H156-A193 WeakPolarHBondContact O-CB 3.31Å; H156-A193 PolarHBondContact O-N 3.38Å
157	G	95.5	Very high	90.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.			trans	75.8	161	-165.8	0	0	0	0	0	112.8	W143 P155	W143-G157 PolarHBondContact O-N 2.84Å; P155-G157 VanDerWaalsContact C-N 3.3Å
158	Y	95.5	Very high	90.6	Very high	22 Å²	22	43.2 Å²	43.2	9%	0.086	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.7	-177.2	171.4	-80.9	0	0	0	109.5	R101 M122 C139 A140 W143 P172 I174	R101-Y158 VanDerWaalsContact CZ-CE1 3.49Å; R101-Y158 VanDerWaalsContact NE-CE1 3.28Å; R101-Y158 VanDerWaalsContact NE-CZ 3.34Å; R101-Y158 PolarHBondContact NE-OH 3.47Å; R101-Y158 VanDerWaalsContact NE-OH 3.1Å; R101-Y158 VanDerWaalsContact NH2-CE1 3.29Å; M122-Y158 HydrophobicContact CE-CD1 3.74Å; M122-Y158 HydrophobicContact CE-CE1 3.65Å; C139-Y158 CarbonylContact C-O 3.54Å; C139-Y158 WeakPolarHBondContact CA-O 3.42Å; A140-Y158 HydrophobicContact CB-CD1 4.37Å; A140-Y158 PolarHBondContact N-O 2.87Å; A140-Y158 PolarHBondContact O-N 2.84Å; A140-Y158 VanDerWaalsContact O-N 3.15Å; W143-Y158 HydrophobicContact CG-CG 4.35Å; Y158-P172 HydrophobicContact CE2-CB 3.81Å; Y158-I174 HydrophobicContact CD2-CD1 4.07Å; Y158-I174 HydrophobicContact CD2-CG1 3.88Å; Y158-I174 HydrophobicContact CE2-CD1 4.45Å; Y158-I174 HydrophobicContact CE2-CG1 4.4Å
159	C	96.9	Very high	90.6	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	165.9	167.2	-61.7	0	0	0	0	110.7	L137 A138 C139 L173 M206	L137-C159 HydrophobicContact CD1-CB 3.83Å; A138-C159 CarbonylContact O-C 3.48Å; A138-C159 WeakPolarHBondContact O-CA 3.26Å; C139-C159 HydrophobicContact CB-CB 4.08Å; C139-C159 WeakPolarHBondContact CB-SG 3.49Å; C139-C159 WeakPolarHBondContact SG-CB 3.5Å; C139-C159 CovalentContact SG-SG 2.04Å; C139-C159 PolarHBondContact SG-SG 2.87Å; C159-L173 HydrophobicContact CB-CB 4.25Å; C159-L173 PolarHBondContact N-O 2.86Å; C159-L173 PolarHBondContact O-N 2.87Å; C159-M206 HydrophobicContact CB-SD 4.2Å
160	S	95.6	Very high	91.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	142.5	168.4	-159.9	0	0	0	0	111.4	A138 T170 M171	A138-S160 PolarHBondContact N-O 2.98Å; A138-S160 PolarHBondContact O-N 3.27Å; S160-T170 WeakPolarHBondContact OG-CB 3.38Å; S160-T170 PolarHBondContact OG-OG1 3.12Å; S160-M171 CarbonylContact C-O 3.58Å; S160-M171 VanDerWaalsContact CA-O 3.32Å; S160-M171 WeakPolarHBondContact CA-O 3.34Å; S160-M171 PolarHBondContact OG-N 2.91Å; S160-M171 PolarHBondContact OG-O 2.92Å; S160-M171 VanDerWaalsContact OG-O 3.13Å
161	I	96.2	Very high	91.8	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	120.2	171.3	-53.3	179	0	0	0	108.9	K135 I136 L137 T170 M171 L173 F199 V204 Y221 M223	K135-I161 HydrophobicContact CB-CG2 3.72Å; K135-I161 HydrophobicContact CD-CG2 3.61Å; K135-I161 HydrophobicContact CG-CG2 4.22Å; I136-I161 CarbonylContact O-C 3.48Å; I136-I161 WeakPolarHBondContact O-CA 3.03Å; L137-I161 HydrophobicContact CD1-CG1 4.46Å; I161-T170 CarbonylContact O-C 3.11Å; I161-T170 WeakPolarHBondContact O-CA 3.24Å; I161-T170 WeakPolarHBondContact O-CB 3.46Å; I161-M171 HydrophobicContact CB-CB 4.27Å; I161-M171 PolarHBondContact N-O 2.84Å; I161-M171 PolarHBondContact O-N 2.88Å; I161-L173 HydrophobicContact CD1-CD1 4.04Å; I161-L173 HydrophobicContact CG1-CD1 3.9Å; I161-L173 HydrophobicContact CG1-CG 4.38Å; I161-F199 HydrophobicContact CG2-CE1 3.99Å; I161-F199 HydrophobicContact CG2-CZ 4.23Å; I161-V204 HydrophobicContact CD1-CG2 4.07Å; I161-Y221 HydrophobicContact CD1-CE1 4.35Å; I161-M223 HydrophobicContact CD1-SD 3.82Å
162	I	96	Very high	92.3	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	136.1	180	-53.8	174.2	0	0	0	108.8	M97 L99 K135 I136 A138 T170	M97-I162 HydrophobicContact CE-CD1 4.25Å; M97-I162 HydrophobicContact CE-CG2 3.76Å; L99-I162 HydrophobicContact CD2-CD1 3.63Å; L99-I162 HydrophobicContact CD2-CG1 4.1Å; K135-I162 WeakPolarHBondContact CA-O 2.98Å; K135-I162 WeakPolarHBondContact CB-O 3.35Å; I136-I162 HydrophobicContact CB-CB 4.25Å; I136-I162 HydrophobicContact CG2-CD1 4.45Å; I136-I162 PolarHBondContact N-O 3.18Å; I136-I162 PolarHBondContact O-N 3.17Å; A138-I162 HydrophobicContact CB-CD1 3.86Å; I162-T170 HydrophobicContact CB-CG2 4.45Å; I162-T170 HydrophobicContact CG1-CG2 4.04Å
163	P	94.3	Very high	92.8	Very high	31 Å²	31	42.3 Å²	42.3	20%	0.201	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-68.6	156.8	176.9	29.2	-36.2	0	0	0	112.8	T165 L166 Q167	P163-T165 PolarHBondContact O-N 2.93Å; P163-T165 VanDerWaalsContact O-N 3.12Å; P163-L166 PolarHBondContact O-N 2.04Å; P163-Q167 VanDerWaalsContact CG-O 3.23Å; P163-Q167 WeakPolarHBondContact CG-O 3.35Å
164	P	92.8	Very high	93	Very high	28 Å²	28	39.8 Å²	39.8	18%	0.182	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.6	-175.8	-20.2	32.9	0	0	0	113.8	H52 H54 S133 G134 K135 L166	H52-P164 PolarHBondContact NE2-O 2.85Å; H54-P164 WeakPolarHBondContact CB-O 3.3Å; H54-P164 PolarHBondContact CD2-O 3.45Å; H54-P164 VanDerWaalsContact CD2-O 3.28Å; S133-P164 WeakPolarHBondContact O-CB 3.31Å; S133-P164 WeakPolarHBondContact O-CG 3.38Å; G134-P164 WeakPolarHBondContact O-CB 3.45Å; K135-P164 HydrophobicContact CG-CG 4.31Å; P164-L166 PolarHBondContact O-N 2.85Å
165	T	91.9	Very high	92.9	Very high	69 Å²	69	40.3 Å²	40.3	42%	0.423	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-14.2	174.1	52.3	0	0	0	0	114.5	P163 Q167	P163-T165 PolarHBondContact O-N 2.93Å; P163-T165 VanDerWaalsContact O-N 3.12Å; T165-Q167 PolarHBondContact O-N 2.94Å; T165-Q167 VanDerWaalsContact O-N 3.15Å; T165-Q167 PolarHBondContact OG1-N 3.38Å; T165-Q167 PolarHBondContact OG1-O 2.86Å
166	L	92.3	Very high	92.7	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.042	21%	0.209	C	C	.	.	S	Bend	trans	54.7	26.9	-170.9	-47.8	176.3	0	0	0	113	W59 I61 K83 M97 I136 P163 P164	W59-L166 HydrophobicContact CB-CD1 4Å; W59-L166 HydrophobicContact CD2-CD1 3.88Å; W59-L166 HydrophobicContact CE3-CD1 4.49Å; W59-L166 HydrophobicContact CG-CD1 3.63Å; I61-L166 HydrophobicContact CD1-CD1 3.63Å; I61-L166 HydrophobicContact CD1-CD2 3.91Å; I61-L166 HydrophobicContact CD1-CG 4.43Å; K83-L166 HydrophobicContact CB-CD1 4.29Å; K83-L166 HydrophobicContact CD-CB 3.93Å; K83-L166 HydrophobicContact CD-CD1 3.85Å; K83-L166 PolarHBondContact NZ-O 2.85Å; M97-L166 HydrophobicContact CE-CB 3.83Å; M97-L166 HydrophobicContact CE-CD2 3.98Å; M97-L166 HydrophobicContact CE-CG 4.47Å; I136-L166 HydrophobicContact CD1-CD2 3.73Å; P163-L166 PolarHBondContact O-N 2.04Å; P164-L166 PolarHBondContact O-N 2.85Å
167	Q	87.7	Confident	92.6	Very high	143 Å²	143	41.2 Å²	41.2	67%	0.668	22%	0.216	S	C	*	.			trans	-150.6	142.2	-174.9	-65.7	-177.1	45.9	0	0	110.8	P163 T165	P163-Q167 VanDerWaalsContact CG-O 3.23Å; P163-Q167 WeakPolarHBondContact CG-O 3.35Å; T165-Q167 PolarHBondContact O-N 2.94Å; T165-Q167 VanDerWaalsContact O-N 3.15Å; T165-Q167 PolarHBondContact OG1-N 3.38Å; T165-Q167 PolarHBondContact OG1-O 2.86Å
168	G	83.6	Confident	92.2	Very high	57 Å²	57	44.7 Å²	44.7	59%	0.588	23%	0.232	S	C	*	.	S	Bend	trans	101.9	-172	177.7	0	0	0	0	0	113.6	T170	G168-T170 PolarHBondContact O-N 2.9Å
169	R	85.9	Confident	91.9	Very high	234 Å²	234	46.2 Å²	46.2	88%	0.883	24%	0.242	S	C	*	.			trans	-69.7	127.6	-173.5	-175.1	176	-178.4	-179.2	1.4	111.5
170	T	93.1	Very high	91.3	Very high	11 Å²	11	53.2 Å²	53.2	7%	0.067	27%	0.269	C	S	.	.			trans	-86.1	156.1	172.5	74.5	0	0	0	0	111.3	L99 S160 I161 I162 G168	L99-T170 HydrophobicContact CB-CG2 4.31Å; L99-T170 HydrophobicContact CD2-CG2 4.32Å; L99-T170 WeakPolarHBondContact O-CG2 3.26Å; L99-T170 PolarHBondContact O-OG1 2.86Å; S160-T170 WeakPolarHBondContact OG-CB 3.38Å; S160-T170 PolarHBondContact OG-OG1 3.12Å; I161-T170 CarbonylContact O-C 3.11Å; I161-T170 WeakPolarHBondContact O-CA 3.24Å; I161-T170 WeakPolarHBondContact O-CB 3.46Å; I162-T170 HydrophobicContact CB-CG2 4.45Å; I162-T170 HydrophobicContact CG1-CG2 4.04Å; G168-T170 PolarHBondContact O-N 2.9Å
171	M	93.6	Very high	90.7	Very high	83 Å²	83	56.7 Å²	56.7	41%	0.409	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	110.2	179.9	174.7	175.7	178.8	0	0	110.6	S160 I161 L173 Y221	S160-M171 CarbonylContact C-O 3.58Å; S160-M171 VanDerWaalsContact CA-O 3.32Å; S160-M171 WeakPolarHBondContact CA-O 3.34Å; S160-M171 PolarHBondContact OG-N 2.91Å; S160-M171 PolarHBondContact OG-O 2.92Å; S160-M171 VanDerWaalsContact OG-O 3.13Å; I161-M171 HydrophobicContact CB-CB 4.27Å; I161-M171 PolarHBondContact N-O 2.84Å; I161-M171 PolarHBondContact O-N 2.88Å; M171-L173 HydrophobicContact CE-CD2 4.48Å; M171-Y221 HydrophobicContact CE-CE1 4.32Å; M171-Y221 VanDerWaalsContact CE-OH 3.29Å; M171-Y221 WeakPolarHBondContact CE-OH 3.45Å
172	P	93.1	Very high	89.9	Confident	70 Å²	70	60.4 Å²	60.4	46%	0.455	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	144.2	-178.3	30.4	-35.6	0	0	0	112.2	Y158	Y158-P172 HydrophobicContact CE2-CB 3.81Å
173	L	94.1	Very high	89.4	Confident	6 Å²	6	65.4 Å²	65.4	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.8	173	-60	176.9	0	0	0	109.4	L137 C159 I161 M171 V204 M206 Y221 F228	L137-L173 HydrophobicContact CD1-CD1 4.21Å; C159-L173 HydrophobicContact CB-CB 4.25Å; C159-L173 PolarHBondContact N-O 2.86Å; C159-L173 PolarHBondContact O-N 2.87Å; I161-L173 HydrophobicContact CD1-CD1 4.04Å; I161-L173 HydrophobicContact CG1-CD1 3.9Å; I161-L173 HydrophobicContact CG1-CG 4.38Å; M171-L173 HydrophobicContact CE-CD2 4.48Å; L173-V204 HydrophobicContact CD1-CG1 4.12Å; L173-M206 HydrophobicContact CD1-CE 4.21Å; L173-M206 HydrophobicContact CD1-SD 4.14Å; L173-Y221 HydrophobicContact CD1-CD1 4.37Å; L173-Y221 HydrophobicContact CD2-CD1 4.04Å; L173-Y221 HydrophobicContact CD2-CE1 4.06Å; L173-Y221 HydrophobicContact CD2-CG 4.44Å; L173-F228 HydrophobicContact CD2-CZ 4.3Å
174	I	93.3	Very high	88.9	Confident	41 Å²	41	68.1 Å²	68.1	21%	0.21	33%	0.33	C	S	.	.			trans	-131.1	68.1	176.7	-44.4	-179.3	0	0	0	108.2	C109 W143 Y158 C176 Y177	C109-I174 HydrophobicContact CB-CD1 4.11Å; W143-I174 HydrophobicContact CE3-CG2 4.42Å; W143-I174 HydrophobicContact CH2-CD1 3.82Å; W143-I174 HydrophobicContact CH2-CG2 4.02Å; W143-I174 HydrophobicContact CZ2-CD1 4.14Å; W143-I174 HydrophobicContact CZ3-CD1 4.41Å; W143-I174 HydrophobicContact CZ3-CG2 3.64Å; Y158-I174 HydrophobicContact CD2-CD1 4.07Å; Y158-I174 HydrophobicContact CD2-CG1 3.88Å; Y158-I174 HydrophobicContact CE2-CD1 4.45Å; Y158-I174 HydrophobicContact CE2-CG1 4.4Å; I174-C176 PolarHBondContact O-N 2.95Å; I174-Y177 PolarHBondContact O-N 2.7Å
175	P	90.6	Very high	88.3	Confident	10 Å²	10	66.8 Å²	66.8	7%	0.065	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	1	-163.6	31.1	-39.9	0	0	0	115.5	A193 M206 K219 F228	P175-A193 HydrophobicContact CG-CB 3.63Å; P175-M206 HydrophobicContact CB-CE 4.21Å; P175-M206 HydrophobicContact CG-CE 4.15Å; P175-M206 HydrophobicContact CG-SD 3.98Å; P175-K219 HydrophobicContact CB-CB 3.9Å; P175-K219 HydrophobicContact CB-CD 4.3Å; P175-K219 HydrophobicContact CB-CG 4.04Å; P175-K219 HydrophobicContact CG-CB 4.35Å; P175-K219 WeakPolarHBondContact O-CD 3.48Å; P175-K219 WeakPolarHBondContact O-CE 3.27Å; P175-K219 PolarHBondContact O-NZ 2.7Å; P175-F228 HydrophobicContact CB-CD1 3.91Å; P175-F228 HydrophobicContact CB-CE1 3.65Å
176	C	91.7	Very high	87.9	Confident	2 Å²	2	67 Å²	67	1%	0.014	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	2.2	-173.8	-67.2	0	0	0	0	113.3	H156 I174 H188 C191	H156-C176 HydrophobicContact CB-CB 4.06Å; H156-C176 PolarHBondContact ND1-O 3.25Å; I174-C176 PolarHBondContact O-N 2.95Å; C176-H188 HydrophobicContact CB-CB 3.99Å; C176-C191 HydrophobicContact CB-CB 3.26Å; C176-C191 WeakPolarHBondContact CB-SG 3.47Å; C176-C191 WeakPolarHBondContact SG-CB 3.5Å; C176-C191 CovalentContact SG-SG 2.02Å; C176-C191 PolarHBondContact SG-SG 2.77Å
177	Y	91.4	Very high	87.6	Confident	40 Å²	40	70.2 Å²	70.2	16%	0.157	33%	0.333	C	S	.	.			trans	-85.4	130.4	171.5	173.5	-99.4	0	0	0	110.3	K111 T112 C113 H156 I174 D179	K111-Y177 PolarHBondContact N-OH 2.81Å; T112-Y177 PolarHBondContact N-OH 2.76Å; T112-Y177 PolarHBondContact OG1-OH 2.84Å; C113-Y177 HydrophobicContact CB-CD2 3.96Å; C113-Y177 HydrophobicContact CB-CE1 4.27Å; C113-Y177 HydrophobicContact CB-CE2 3.39Å; H156-Y177 AromaticContact NE2-CD2 3.98Å; I174-Y177 PolarHBondContact O-N 2.7Å; Y177-D179 WeakPolarHBondContact CE1-OD1 3.46Å; Y177-D179 PolarHBondContact OH-OD1 2.97Å
178	E	87.7	Confident	87.6	Confident	74 Å²	74	64 Å²	64	35%	0.346	30%	0.303	S	S	.	.			trans	-136.6	134.6	173.1	-73.5	173.4	-148.9	0	0	108.3	Y180 K181 H188	E178-Y180 PolarHBondContact O-N 3.45Å; E178-K181 HydrophobicContact CB-CG 3.59Å; E178-K181 PolarHBondContact O-N 3.31Å; E178-K181 WeakPolarHBondContact OE2-CE 3.36Å; E178-K181 IonicContact OE2-NZ 2.76Å; E178-H188 IonicContact OE1-CD2 2.7Å; E178-H188 PolarHBondContact OE1-CD2 2.77Å
179	D	87.9	Confident	87.8	Confident	53 Å²	53	61.5 Å²	61.5	28%	0.283	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	138.7	179.2	-83.6	-19.1	0	0	0	111	K111 Y177 K181	K111-D179 WeakPolarHBondContact CB-OD1 3.46Å; K111-D179 WeakPolarHBondContact CG-OD2 3.19Å; K111-D179 PolarHBondContact N-OD1 3.18Å; K111-D179 IonicContact NZ-OD2 3.39Å; K111-D179 PolarHBondContact NZ-OD2 3.42Å; Y177-D179 WeakPolarHBondContact CE1-OD1 3.46Å; Y177-D179 PolarHBondContact OH-OD1 2.97Å; D179-K181 PolarHBondContact O-N 2.83Å
180	Y	84.9	Confident	88.2	Confident	148 Å²	148	50.3 Å²	50.3	58%	0.58	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	4.7	177.9	-44.4	-76.1	0	0	0	116.9	K111 T112 E178	K111-Y180 WeakPolarHBondContact CD-OH 3.49Å; T112-Y180 HydrophobicContact CG2-CD1 3.67Å; T112-Y180 HydrophobicContact CG2-CE1 3.98Å; T112-Y180 HydrophobicContact CG2-CG 4.32Å; T112-Y180 PolarHBondContact OG1-N 3.32Å; E178-Y180 PolarHBondContact O-N 3.45Å
181	K	82.5	Confident	88.1	Confident	72 Å²	72	49.8 Å²	49.8	31%	0.313	23%	0.232	S	C	.	.			trans	-76.8	125.7	169.9	-58.9	-60.6	-167.4	161.4	0	110.6	E178 D179 E187	E178-K181 HydrophobicContact CB-CG 3.59Å; E178-K181 PolarHBondContact O-N 3.31Å; E178-K181 WeakPolarHBondContact OE2-CE 3.36Å; E178-K181 IonicContact OE2-NZ 2.76Å; D179-K181 PolarHBondContact O-N 2.83Å; K181-E187 VanDerWaalsContact CD-OE2 3.31Å; K181-E187 WeakPolarHBondContact CD-OE2 3.36Å; K181-E187 VanDerWaalsContact CE-OE2 3.22Å; K181-E187 WeakPolarHBondContact CE-OE2 3.49Å; K181-E187 IonicContact NZ-OE1 2.87Å; K181-E187 PolarHBondContact NZ-OE1 2.83Å; K181-E187 IonicContact NZ-OE2 3.88Å; K181-E187 PolarHBondContact NZ-OE2 2.6Å
182	Q	80.3	Confident	88.2	Confident	86 Å²	86	48 Å²	48	40%	0.402	22%	0.223	S	C	.	.			trans	-117.6	-31.2	-168.9	-80.4	162.4	5.4	0	0	115	Y148 H152	Y148-Q182 HydrophobicContact CD1-CG 4.03Å; Y148-Q182 HydrophobicContact CD2-CB 4.46Å; Y148-Q182 HydrophobicContact CD2-CG 3.84Å; Y148-Q182 HydrophobicContact CE1-CG 3.63Å; Y148-Q182 HydrophobicContact CE2-CB 4.35Å; Y148-Q182 HydrophobicContact CE2-CG 3.4Å; Y148-Q182 HydrophobicContact CG-CG 4.13Å; Y148-Q182 PolarHBondContact OH-NE2 3.1Å; H152-Q182 PolarHBondContact CD2-O 3.09Å; H152-Q182 VanDerWaalsContact CD2-O 3.29Å
183	K	83.9	Confident	88.4	Confident	108 Å²	108	44.7 Å²	44.7	47%	0.47	20%	0.201	S	C	.	.			trans	-85.8	137.9	-165.7	-66.3	176.7	-178.9	176.3	0	113.1	E186	K183-E186 HydrophobicContact CB-CB 4.15Å; K183-E186 HydrophobicContact CB-CG 4.39Å; K183-E186 HydrophobicContact CD-CB 4.42Å; K183-E186 HydrophobicContact CD-CG 4.08Å; K183-E186 WeakPolarHBondContact CD-OE1 3.45Å; K183-E186 WeakPolarHBondContact CD-OE2 3.35Å; K183-E186 IonicContact NZ-OE1 3.74Å; K183-E186 PolarHBondContact NZ-OE1 2.91Å; K183-E186 IonicContact NZ-OE2 3.33Å; K183-E186 PolarHBondContact NZ-OE2 2.81Å
184	Y	85.3	Confident	88.5	Confident	87 Å²	87	44.4 Å²	44.4	34%	0.341	20%	0.2	S	C	.	.	S	Bend	trans	-70	144	167.9	-170.9	-92.7	0	0	0	111.1	I153 L154 P155 E186 W214	I153-Y184 WeakPolarHBondContact O-CD2 3.42Å; L154-Y184 HydrophobicContact CD2-CD2 4.47Å; P155-Y184 HydrophobicContact CG-CE2 3.95Å; Y184-E186 PolarHBondContact O-N 3.49Å; Y184-W214 AromaticContact CE1-CH2 3.62Å; Y184-W214 HydrophobicContact CE1-CH2 3.62Å; Y184-W214 AromaticContact CE1-CZ2 3.76Å; Y184-W214 HydrophobicContact CE1-CZ2 3.76Å; Y184-W214 AromaticContact CZ-CZ2 3.99Å; Y184-W214 WeakPolarHBondContact OH-CZ2 3.37Å
185	G	80.1	Confident	88.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	77.6	-39.1	179.1	0	0	0	0	0	115.5	S190 Y212 Y213	G185-S190 VanDerWaalsContact CA-OG 3.32Å; G185-S190 WeakPolarHBondContact CA-OG 3.4Å; G185-S190 PolarHBondContact N-OG 2.97Å; G185-Y212 CarbonylContact O-C 3.23Å; G185-Y213 PolarHBondContact O-N 2.88Å
186	E	83.9	Confident	89	Confident	73 Å²	73	44.6 Å²	44.6	34%	0.341	20%	0.203	S	C	.	.	S	Bend	trans	-67.7	140.3	174.8	-67.2	-172.8	-155.6	0	0	111.2	K183 Y184 H188 G189 Y213	K183-E186 HydrophobicContact CB-CB 4.15Å; K183-E186 HydrophobicContact CB-CG 4.39Å; K183-E186 HydrophobicContact CD-CB 4.42Å; K183-E186 HydrophobicContact CD-CG 4.08Å; K183-E186 WeakPolarHBondContact CD-OE1 3.45Å; K183-E186 WeakPolarHBondContact CD-OE2 3.35Å; K183-E186 IonicContact NZ-OE1 3.74Å; K183-E186 PolarHBondContact NZ-OE1 2.91Å; K183-E186 IonicContact NZ-OE2 3.33Å; K183-E186 PolarHBondContact NZ-OE2 2.81Å; Y184-E186 PolarHBondContact O-N 3.49Å; E186-H188 PolarHBondContact O-N 2.65Å; E186-G189 PolarHBondContact O-N 2.66Å; E186-Y213 HydrophobicContact CG-CE2 3.9Å; E186-Y213 VanDerWaalsContact CG-OH 3.25Å; E186-Y213 WeakPolarHBondContact CG-OH 3.14Å; E186-Y213 PolarHBondContact OE1-OH 3.3Å
187	E	85.3	Confident	89.2	Confident	77 Å²	77	45.2 Å²	45.2	36%	0.36	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-100.7	177.5	-60.1	166.1	142.8	0	0	114.1	K181 S211 Y212	K181-E187 VanDerWaalsContact CD-OE2 3.31Å; K181-E187 WeakPolarHBondContact CD-OE2 3.36Å; K181-E187 VanDerWaalsContact CE-OE2 3.22Å; K181-E187 WeakPolarHBondContact CE-OE2 3.49Å; K181-E187 IonicContact NZ-OE1 2.87Å; K181-E187 PolarHBondContact NZ-OE1 2.83Å; K181-E187 IonicContact NZ-OE2 3.88Å; K181-E187 PolarHBondContact NZ-OE2 2.6Å; E187-S211 CarbonylContact O-C 3.56Å; E187-S211 WeakPolarHBondContact O-CA 3.06Å; E187-S211 WeakPolarHBondContact O-CB 3.47Å; E187-Y212 HydrophobicContact CB-CE1 4.19Å; E187-Y212 HydrophobicContact CG-CE1 4.15Å; E187-Y212 PolarHBondContact O-N 2.88Å
188	H	88.4	Confident	89.4	Confident	12 Å²	12	44.8 Å²	44.8	6%	0.056	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	11.1	-176.9	-63	-45.3	0	0	0	113.4	H156 C176 E178 E186 S190 C191 S211 K219	H156-H188 PolarHBondContact ND1-O 3.41Å; C176-H188 HydrophobicContact CB-CB 3.99Å; E178-H188 IonicContact OE1-CD2 2.7Å; E178-H188 PolarHBondContact OE1-CD2 2.77Å; E186-H188 PolarHBondContact O-N 2.65Å; H188-S190 PolarHBondContact O-N 3.02Å; H188-S190 VanDerWaalsContact O-N 3.15Å; H188-C191 HydrophobicContact CB-CB 4.41Å; H188-C191 WeakPolarHBondContact O-CB 3.44Å; H188-C191 PolarHBondContact O-N 3.31Å; H188-C191 VanDerWaalsContact O-N 3.15Å; H188-S211 PolarHBondContact ND1-OG 2.69Å; H188-S211 VanDerWaalsContact ND1-OG 3.13Å; H188-K219 PolarHBondContact CD2-NZ 3.1Å; H188-K219 VanDerWaalsContact CE1-CE 3.46Å; H188-K219 WeakPolarHBondContact CE1-CE 3.46Å; H188-K219 VanDerWaalsContact NE2-CE 3.33Å; H188-K219 WeakPolarHBondContact NE2-CE 3.49Å; H188-K219 PolarHBondContact NE2-NZ 3.37Å
189	G	87.9	Confident	89.8	Confident	4 Å²	4	41.4 Å²	41.4	4%	0.041	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.7	-179.6	0	0	0	0	0	114.5	L154 P155 E186	L154-G189 CarbonylContact C-O 3.54Å; L154-G189 WeakPolarHBondContact CA-O 3.48Å; L154-G189 VanDerWaalsContact CB-O 3.3Å; L154-G189 WeakPolarHBondContact CB-O 2.95Å; L154-G189 WeakPolarHBondContact CD2-O 3.45Å; P155-G189 WeakPolarHBondContact CD-O 3.31Å; E186-G189 PolarHBondContact O-N 2.66Å
190	S	92.4	Very high	90.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	25.6	175.8	49.3	0	0	0	0	113.2	P155 G185 H188 Q192 G210	P155-S190 CarbonylContact O-C 3.55Å; P155-S190 VanDerWaalsContact O-C 3.28Å; G185-S190 VanDerWaalsContact CA-OG 3.32Å; G185-S190 WeakPolarHBondContact CA-OG 3.4Å; G185-S190 PolarHBondContact N-OG 2.97Å; H188-S190 PolarHBondContact O-N 3.02Å; H188-S190 VanDerWaalsContact O-N 3.15Å; S190-Q192 VanDerWaalsContact C-N 3.35Å; S190-Q192 PolarHBondContact O-N 3.08Å; S190-Q192 VanDerWaalsContact O-N 3.14Å; S190-G210 CarbonylContact O-C 3.5Å; S190-G210 VanDerWaalsContact O-C 3.28Å; S190-G210 WeakPolarHBondContact O-CA 3.45Å; S190-G210 PolarHBondContact OG-O 2.95Å
191	C	92.6	Very high	90.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.			trans	-46.2	-46.5	-167.1	-129.7	0	0	0	0	116.5	P155 H156 C176 H188 A193 A208 G210 S211	P155-C191 PolarHBondContact O-N 3.23Å; H156-C191 WeakPolarHBondContact O-CB 3.34Å; C176-C191 HydrophobicContact CB-CB 3.26Å; C176-C191 WeakPolarHBondContact CB-SG 3.47Å; C176-C191 WeakPolarHBondContact SG-CB 3.5Å; C176-C191 CovalentContact SG-SG 2.02Å; C176-C191 PolarHBondContact SG-SG 2.77Å; H188-C191 HydrophobicContact CB-CB 4.41Å; H188-C191 WeakPolarHBondContact O-CB 3.44Å; H188-C191 PolarHBondContact O-N 3.31Å; H188-C191 VanDerWaalsContact O-N 3.15Å; C191-A193 VanDerWaalsContact C-N 3.33Å; C191-A193 PolarHBondContact O-N 2.9Å; C191-A208 CarbonylContact O-C 3.57Å; C191-A208 WeakPolarHBondContact O-CA 3.41Å; C191-G210 PolarHBondContact O-N 2.93Å; C191-G210 VanDerWaalsContact O-N 3.16Å; C191-S211 PolarHBondContact SG-OG 2.95Å
192	Q	95.9	Very high	90.6	Very high	46 Å²	46	37 Å²	37	22%	0.215	18%	0.181	C	C	.	.			trans	48.7	48.4	-168.2	-64.4	-175.8	-115.4	0	0	113.5	H141 P155 H156 S190	H141-Q192 WeakPolarHBondContact O-CA 3.33Å; H141-Q192 WeakPolarHBondContact O-CB 3.29Å; P155-Q192 HydrophobicContact CB-CG 4.08Å; P155-Q192 HydrophobicContact CG-CG 4.36Å; P155-Q192 PolarHBondContact O-N 2.98Å; H156-Q192 PolarHBondContact O-N 3.35Å; S190-Q192 VanDerWaalsContact C-N 3.35Å; S190-Q192 PolarHBondContact O-N 3.08Å; S190-Q192 VanDerWaalsContact O-N 3.14Å
193	A	96.8	Very high	91.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	139.9	179.9	0	0	0	0	0	112.4	H156 P175 C191 G207 A208	H156-A193 WeakPolarHBondContact O-CB 3.31Å; H156-A193 PolarHBondContact O-N 3.38Å; P175-A193 HydrophobicContact CG-CB 3.63Å; C191-A193 VanDerWaalsContact C-N 3.33Å; C191-A193 PolarHBondContact O-N 2.9Å; A193-G207 CarbonylContact C-O 3.57Å; A193-G207 WeakPolarHBondContact CA-O 3.42Å; A193-A208 HydrophobicContact CB-CB 4.14Å
194	G	95.8	Very high	91.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	28.3	-179.2	0	0	0	0	0	113.8	V124 S125 C139 A196 G207	V124-G194 VanDerWaalsContact CG1-O 3.29Å; V124-G194 WeakPolarHBondContact CG1-O 3.3Å; S125-G194 PolarHBondContact OG-O 2.88Å; C139-G194 WeakPolarHBondContact CB-O 3.49Å; G194-A196 VanDerWaalsContact C-N 3.26Å; G194-G207 PolarHBondContact N-O 2.82Å
195	I	96.5	Very high	92.4	Very high	35 Å²	35	24.1 Å²	24.1	18%	0.179	13%	0.126	C	C	.	.	S	Bend	trans	-65.4	-36.3	162.7	-168.4	171.4	0	0	0	110.8	H141 P209 Y246	H141-I195 HydrophobicContact CB-CB 4.1Å; I195-P209 HydrophobicContact CD1-CG 4.21Å; I195-P209 HydrophobicContact CG2-CG 3.87Å; I195-Y246 HydrophobicContact CD1-CD2 4.16Å; I195-Y246 HydrophobicContact CD1-CE2 4.07Å
196	A	97.3	Very high	93.3	Very high	19 Å²	19	24.1 Å²	24.1	16%	0.157	13%	0.126	C	C	.	.	S	Bend	trans	-139.9	154.7	170.4	0	0	0	0	0	108.3	G194 G207 Y246 V248	G194-A196 VanDerWaalsContact C-N 3.26Å; A196-G207 PolarHBondContact O-N 2.92Å; A196-Y246 WeakPolarHBondContact CB-O 3.46Å; A196-V248 HydrophobicContact CB-CG2 4.14Å
197	G	96.4	Very high	93.9	Very high	16 Å²	16	20.7 Å²	20.7	17%	0.165	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	154.9	176.4	0	0	0	0	0	112.1	V205	G197-V205 CarbonylContact C-O 3.48Å; G197-V205 WeakPolarHBondContact CA-O 3.41Å
198	V	96.4	Very high	94.4	Very high	31 Å²	31	17 Å²	17	19%	0.188	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.3	173.4	61.3	0	0	0	0	109.1	V205 A250	V198-V205 HydrophobicContact CG1-CB 3.59Å; V198-V205 HydrophobicContact CG1-CG1 4.15Å; V198-V205 HydrophobicContact CG1-CG2 3.86Å; V198-V205 PolarHBondContact N-O 2.95Å; V198-V205 PolarHBondContact O-N 2.83Å; V198-A250 HydrophobicContact CG1-CB 3.89Å
199	F	95.5	Very high	94.8	Very high	3 Å²	3	16.8 Å²	16.8	1%	0.013	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	98.6	-174.7	-162.1	168.6	0	0	0	109.2	A127 Q129 D130 K135 L137 I161 V204 M223	A127-F199 HydrophobicContact CB-CB 4.01Å; Q129-F199 WeakPolarHBondContact CA-O 3.34Å; Q129-F199 HydrophobicContact CB-CD1 3.79Å; Q129-F199 HydrophobicContact CB-CD2 3.76Å; Q129-F199 HydrophobicContact CB-CE1 3.86Å; Q129-F199 HydrophobicContact CB-CE2 3.81Å; Q129-F199 HydrophobicContact CB-CG 3.76Å; Q129-F199 HydrophobicContact CB-CZ 3.88Å; Q129-F199 HydrophobicContact CG-CD2 3.83Å; Q129-F199 HydrophobicContact CG-CE2 3.67Å; Q129-F199 HydrophobicContact CG-CG 4.35Å; Q129-F199 HydrophobicContact CG-CZ 4.07Å; D130-F199 PolarHBondContact N-O 2.88Å; K135-F199 HydrophobicContact CB-CE1 3.66Å; K135-F199 HydrophobicContact CB-CZ 3.91Å; K135-F199 HydrophobicContact CD-CZ 4.47Å; L137-F199 HydrophobicContact CB-CD1 4.01Å; I161-F199 HydrophobicContact CG2-CE1 3.99Å; I161-F199 HydrophobicContact CG2-CZ 4.23Å; F199-V204 HydrophobicContact CD1-CG2 4.44Å; F199-V204 HydrophobicContact CD2-CG2 3.63Å; F199-V204 HydrophobicContact CE1-CG2 4.24Å; F199-V204 HydrophobicContact CE2-CG2 3.4Å; F199-V204 HydrophobicContact CG-CG2 4.15Å; F199-V204 HydrophobicContact CZ-CG2 3.72Å; F199-M223 HydrophobicContact CE2-CE 3.76Å; F199-M223 HydrophobicContact CE2-SD 4.12Å; F199-M223 HydrophobicContact CZ-CE 3.8Å; F199-M223 HydrophobicContact CZ-SD 3.88Å
200	T	93.8	Very high	95.1	Very high	15 Å²	15	16.6 Å²	16.6	9%	0.092	9%	0.09	C	C	.	.			trans	-79.5	-175.1	175.5	68.2	0	0	0	0	110.6	Q129 E202 L203 A250 I259	Q129-T200 WeakPolarHBondContact CG-O 3.45Å; T200-E202 VanDerWaalsContact C-N 3.28Å; T200-E202 PolarHBondContact O-N 3.45Å; T200-L203 PolarHBondContact N-O 2.93Å; T200-L203 WeakPolarHBondContact OG1-CA 3.38Å; T200-L203 VanDerWaalsContact OG1-CB 3.27Å; T200-L203 WeakPolarHBondContact OG1-CB 3.32Å; T200-L203 PolarHBondContact OG1-N 3.27Å; T200-L203 PolarHBondContact OG1-O 3.04Å; T200-A250 HydrophobicContact CG2-CB 3.54Å; T200-I259 HydrophobicContact CG2-CG2 3.99Å
201	E	89.5	Confident	95.1	Very high	86 Å²	86	16.6 Å²	16.6	40%	0.402	9%	0.09	S	C	.	.	S	Bend	trans	-52.7	-42.1	177.3	-66.8	-138.1	120.7	0	0	114.1	Q129 R131	Q129-E201 PolarHBondContact NE2-O 3.21Å; R131-E201 HydrophobicContact CG-CG 4.43Å; R131-E201 WeakPolarHBondContact CG-OE1 3.39Å; R131-E201 IonicContact CZ-OE1 3.47Å; R131-E201 IonicContact CZ-OE2 2.62Å; R131-E201 IonicContact NE-OE1 3.16Å; R131-E201 PolarHBondContact NE-OE1 2.79Å; R131-E201 IonicContact NE-OE2 3.89Å; R131-E201 IonicContact NH2-OE1 3.92Å; R131-E201 PolarHBondContact NH2-OE1 3.28Å; R131-E201 IonicContact NH2-OE2 3.91Å; R131-E201 PolarHBondContact NH2-OE2 2.66Å
202	E	88.5	Confident	95	Very high	79 Å²	79	19.1 Å²	19.1	37%	0.369	10%	0.1	S	C	.	.	S	Bend	trans	-126	-22.9	-175.6	-61.4	-165.6	-169.3	0	0	114.7	T200 M223 T224	T200-E202 VanDerWaalsContact C-N 3.28Å; T200-E202 PolarHBondContact O-N 3.45Å; E202-M223 PolarHBondContact O-N 2.95Å; E202-T224 WeakPolarHBondContact OE2-CB 3.33Å; E202-T224 PolarHBondContact OE2-OG1 3.03Å
203	L	94	Very high	94.8	Very high	11 Å²	11	20.4 Å²	20.4	6%	0.058	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.8	-175	-47.7	179.2	0	0	0	111.5	T200 V220 Y221 N222 I259	T200-L203 PolarHBondContact N-O 2.93Å; T200-L203 WeakPolarHBondContact OG1-CA 3.38Å; T200-L203 VanDerWaalsContact OG1-CB 3.27Å; T200-L203 WeakPolarHBondContact OG1-CB 3.32Å; T200-L203 PolarHBondContact OG1-N 3.27Å; T200-L203 PolarHBondContact OG1-O 3.04Å; L203-V220 HydrophobicContact CB-CG1 3.95Å; L203-V220 HydrophobicContact CD1-CG1 4.21Å; L203-V220 HydrophobicContact CD2-CG1 4.33Å; L203-V220 HydrophobicContact CG-CG1 4.4Å; L203-Y221 WeakPolarHBondContact CA-O 3.1Å; L203-N222 HydrophobicContact CD2-CB 3.67Å; L203-N222 VanDerWaalsContact CD2-ND2 3.3Å; L203-N222 WeakPolarHBondContact CD2-ND2 3.42Å; L203-I259 HydrophobicContact CD1-CB 4.49Å; L203-I259 HydrophobicContact CD1-CG2 4.11Å
204	V	96.6	Very high	94.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	108.5	166.8	178.7	0	0	0	0	108.1	L137 I161 L173 F199 M206 V220 Y221 M223	L137-V204 HydrophobicContact CD1-CG1 3.69Å; L137-V204 HydrophobicContact CD2-CG1 3.86Å; L137-V204 HydrophobicContact CG-CG1 4.32Å; I161-V204 HydrophobicContact CD1-CG2 4.07Å; L173-V204 HydrophobicContact CD1-CG1 4.12Å; F199-V204 HydrophobicContact CD1-CG2 4.44Å; F199-V204 HydrophobicContact CD2-CG2 3.63Å; F199-V204 HydrophobicContact CE1-CG2 4.24Å; F199-V204 HydrophobicContact CE2-CG2 3.4Å; F199-V204 HydrophobicContact CG-CG2 4.15Å; F199-V204 HydrophobicContact CZ-CG2 3.72Å; V204-M206 HydrophobicContact CG1-CE 4.08Å; V204-M206 HydrophobicContact CG1-CG 4.31Å; V204-M206 HydrophobicContact CG1-SD 4.32Å; V204-V220 WeakPolarHBondContact O-CA 3.37Å; V204-Y221 HydrophobicContact CB-CD1 4.34Å; V204-Y221 HydrophobicContact CG2-CD1 4.34Å; V204-Y221 PolarHBondContact N-O 2.7Å; V204-Y221 PolarHBondContact O-N 2.75Å; V204-M223 HydrophobicContact CG2-CG 4.35Å
205	V	97	Very high	94.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.2	179.3	-178.3	0	0	0	0	109.1	G197 V198 V218 V220 V248 A250 V261	G197-V205 CarbonylContact C-O 3.48Å; G197-V205 WeakPolarHBondContact CA-O 3.41Å; V198-V205 HydrophobicContact CG1-CB 3.59Å; V198-V205 HydrophobicContact CG1-CG1 4.15Å; V198-V205 HydrophobicContact CG1-CG2 3.86Å; V198-V205 PolarHBondContact N-O 2.95Å; V198-V205 PolarHBondContact O-N 2.83Å; V205-V218 HydrophobicContact CG1-CG1 3.6Å; V205-V220 HydrophobicContact CB-CG2 4.38Å; V205-V220 HydrophobicContact CG1-CG2 4.12Å; V205-V220 HydrophobicContact CG2-CG1 4.31Å; V205-V220 HydrophobicContact CG2-CG2 4.07Å; V205-V248 HydrophobicContact CG1-CB 3.92Å; V205-V248 HydrophobicContact CG1-CG1 4.26Å; V205-V248 HydrophobicContact CG1-CG2 4.03Å; V205-A250 HydrophobicContact CG2-CB 4.47Å; V205-V261 HydrophobicContact CG1-CG1 3.63Å; V205-V261 HydrophobicContact CG2-CG1 4.26Å; V205-V261 HydrophobicContact CG2-CG2 3.96Å
206	M	97.8	Very high	94.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.4	178.7	-68.3	161.4	-74.7	0	0	110.4	L137 C159 L173 P175 V204 K219 F228	L137-M206 HydrophobicContact CD2-CG 4.38Å; C159-M206 HydrophobicContact CB-SD 4.2Å; L173-M206 HydrophobicContact CD1-CE 4.21Å; L173-M206 HydrophobicContact CD1-SD 4.14Å; P175-M206 HydrophobicContact CB-CE 4.21Å; P175-M206 HydrophobicContact CG-CE 4.15Å; P175-M206 HydrophobicContact CG-SD 3.98Å; V204-M206 HydrophobicContact CG1-CE 4.08Å; V204-M206 HydrophobicContact CG1-CG 4.31Å; V204-M206 HydrophobicContact CG1-SD 4.32Å; M206-K219 PolarHBondContact N-O 2.81Å; M206-K219 PolarHBondContact O-N 3.14Å; M206-F228 HydrophobicContact CE-CE1 4.25Å
207	G	97.3	Very high	94.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	138.3	171.4	0	0	0	0	0	111.8	A193 G194 A196 G245	A193-G207 CarbonylContact C-O 3.57Å; A193-G207 WeakPolarHBondContact CA-O 3.42Å; G194-G207 PolarHBondContact N-O 2.82Å; A196-G207 PolarHBondContact O-N 2.92Å; G207-G245 CarbonylContact C-O 3.54Å; G207-G245 WeakPolarHBondContact CA-O 3.43Å
208	A	96.4	Very high	94.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.098	C	C	.	.			trans	-141.3	67.1	-174.5	0	0	0	0	0	112.2	C191 A193 G210 S211 T217	C191-A208 CarbonylContact O-C 3.57Å; C191-A208 WeakPolarHBondContact O-CA 3.41Å; A193-A208 HydrophobicContact CB-CB 4.14Å; A208-G210 VanDerWaalsContact C-N 3.29Å; A208-G210 PolarHBondContact O-N 3.34Å; A208-S211 PolarHBondContact O-N 2.97Å; A208-S211 PolarHBondContact O-OG 3.11Å; A208-T217 HydrophobicContact CB-CG2 3.9Å; A208-T217 PolarHBondContact N-O 3.35Å; A208-T217 PolarHBondContact O-N 2.8Å; A208-T217 VanDerWaalsContact O-N 3.15Å
209	P	96.1	Very high	94	Very high	8 Å²	8	20.3 Å²	20.3	5%	0.052	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-17.5	-165.8	30.6	-38.5	0	0	0	114.9	I195 W214 G216 L244	I195-P209 HydrophobicContact CD1-CG 4.21Å; I195-P209 HydrophobicContact CG2-CG 3.87Å; P209-W214 CarbonylContact O-C 3.57Å; P209-W214 WeakPolarHBondContact O-CA 3.09Å; P209-G216 VanDerWaalsContact O-CA 3.23Å; P209-G216 WeakPolarHBondContact O-CA 3.02Å; P209-G216 PolarHBondContact O-N 3.1Å; P209-L244 WeakPolarHBondContact CA-O 3.28Å
210	G	94.3	Very high	94	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2	-179.3	0	0	0	0	0	114.9	S190 C191 A208 W214	S190-G210 CarbonylContact O-C 3.5Å; S190-G210 VanDerWaalsContact O-C 3.28Å; S190-G210 WeakPolarHBondContact O-CA 3.45Å; S190-G210 PolarHBondContact OG-O 2.95Å; C191-G210 PolarHBondContact O-N 2.93Å; C191-G210 VanDerWaalsContact O-N 3.16Å; A208-G210 VanDerWaalsContact C-N 3.29Å; A208-G210 PolarHBondContact O-N 3.34Å; G210-W214 PolarHBondContact O-N 2.96Å
211	S	92.2	Very high	94.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.9	151.4	175.1	-63.6	0	0	0	0	113.1	E187 H188 C191 A208 Y213 W214 T215 G216 T217	E187-S211 CarbonylContact O-C 3.56Å; E187-S211 WeakPolarHBondContact O-CA 3.06Å; E187-S211 WeakPolarHBondContact O-CB 3.47Å; H188-S211 PolarHBondContact ND1-OG 2.69Å; H188-S211 VanDerWaalsContact ND1-OG 3.13Å; C191-S211 PolarHBondContact SG-OG 2.95Å; A208-S211 PolarHBondContact O-N 2.97Å; A208-S211 PolarHBondContact O-OG 3.11Å; S211-Y213 PolarHBondContact O-N 3.25Å; S211-W214 CarbonylContact O-C 3.28Å; S211-W214 WeakPolarHBondContact O-CA 3.36Å; S211-W214 PolarHBondContact O-N 2.87Å; S211-W214 VanDerWaalsContact O-N 3.14Å; S211-T215 PolarHBondContact O-N 3.06Å; S211-T215 VanDerWaalsContact O-N 3.08Å; S211-G216 PolarHBondContact O-N 3.4Å; S211-T217 WeakPolarHBondContact OG-CG2 3.41Å
212	Y	90.9	Very high	94.3	Very high	52 Å²	52	16.7 Å²	16.7	20%	0.204	8%	0.075	C	C	.	.	H	α-helix	trans	47.9	60	174.8	-55.3	-70.3	0	0	0	113.5	G185 E187 W214 T215 K233	G185-Y212 CarbonylContact O-C 3.23Å; E187-Y212 HydrophobicContact CB-CE1 4.19Å; E187-Y212 HydrophobicContact CG-CE1 4.15Å; E187-Y212 PolarHBondContact O-N 2.88Å; Y212-W214 VanDerWaalsContact C-N 3.35Å; Y212-W214 PolarHBondContact O-N 3.41Å; Y212-T215 WeakPolarHBondContact O-CB 3.08Å; Y212-T215 PolarHBondContact O-N 3.48Å; Y212-T215 VanDerWaalsContact O-N 3.14Å; Y212-T215 PolarHBondContact O-OG1 3.27Å; Y212-K233 HydrophobicContact CD1-CD 4.41Å; Y212-K233 HydrophobicContact CE1-CD 4.15Å
213	Y	91	Very high	94.4	Very high	73 Å²	73	15.1 Å²	15.1	29%	0.286	7%	0.068	S	C	.	.	H	α-helix	trans	49.3	54.3	-173	-62.6	-72.7	0	0	0	112.1	G185 E186 S211 T215 Y241	G185-Y213 PolarHBondContact O-N 2.88Å; E186-Y213 HydrophobicContact CG-CE2 3.9Å; E186-Y213 VanDerWaalsContact CG-OH 3.25Å; E186-Y213 WeakPolarHBondContact CG-OH 3.14Å; E186-Y213 PolarHBondContact OE1-OH 3.3Å; S211-Y213 PolarHBondContact O-N 3.25Å; Y213-T215 PolarHBondContact O-N 3.29Å; Y213-Y241 PolarHBondContact O-N 2.92Å
214	W	93.2	Very high	94.2	Very high	58 Å²	58	19.5 Å²	19.5	22%	0.22	10%	0.095	C	C	.	.	H	α-helix	trans	56.1	19.1	-179.4	-56.4	-94.2	0	0	0	115.6	Y184 P209 G210 S211 Y212 G216 Y241 S242 Y243	Y184-W214 AromaticContact CE1-CH2 3.62Å; Y184-W214 HydrophobicContact CE1-CH2 3.62Å; Y184-W214 AromaticContact CE1-CZ2 3.76Å; Y184-W214 HydrophobicContact CE1-CZ2 3.76Å; Y184-W214 AromaticContact CZ-CZ2 3.99Å; Y184-W214 WeakPolarHBondContact OH-CZ2 3.37Å; P209-W214 CarbonylContact O-C 3.57Å; P209-W214 WeakPolarHBondContact O-CA 3.09Å; G210-W214 PolarHBondContact O-N 2.96Å; S211-W214 CarbonylContact O-C 3.28Å; S211-W214 WeakPolarHBondContact O-CA 3.36Å; S211-W214 PolarHBondContact O-N 2.87Å; S211-W214 VanDerWaalsContact O-N 3.14Å; Y212-W214 VanDerWaalsContact C-N 3.35Å; Y212-W214 PolarHBondContact O-N 3.41Å; W214-G216 PolarHBondContact O-N 2.66Å; W214-Y241 HydrophobicContact CB-CD1 3.92Å; W214-Y241 HydrophobicContact CB-CG 4.5Å; W214-Y241 HydrophobicContact CD2-CD1 4.15Å; W214-Y241 AromaticContact CD2-CE1 3.98Å; W214-Y241 HydrophobicContact CD2-CE1 3.98Å; W214-Y241 AromaticContact CE3-CD1 3.82Å; W214-Y241 HydrophobicContact CE3-CD1 3.82Å; W214-Y241 AromaticContact CE3-CE1 3.25Å; W214-Y241 HydrophobicContact CE3-CE1 3.25Å; W214-Y241 HydrophobicContact CG-CD1 4.25Å; W214-Y241 AromaticContact CZ3-CE1 3.63Å; W214-Y241 HydrophobicContact CZ3-CE1 3.63Å; W214-Y241 CarbonylContact O-C 3.53Å; W214-Y241 WeakPolarHBondContact O-CA 3.48Å; W214-Y241 PolarHBondContact O-N 2.85Å; W214-S242 PolarHBondContact O-N 2.75Å; W214-Y243 HydrophobicContact CB-CD1 3.86Å; W214-Y243 HydrophobicContact CB-CE1 3.72Å; W214-Y243 AromaticContact CD1-CE1 3.9Å; W214-Y243 HydrophobicContact CG-CE1 4.06Å; W214-Y243 PolarHBondContact O-N 2.89Å
215	T	93.1	Very high	93.9	Very high	18 Å²	18	22.2 Å²	22.2	11%	0.11	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-38.2	162.4	-52.1	0	0	0	0	109.1	S211 Y212 Y213 L244	S211-T215 PolarHBondContact O-N 3.06Å; S211-T215 VanDerWaalsContact O-N 3.08Å; Y212-T215 WeakPolarHBondContact O-CB 3.08Å; Y212-T215 PolarHBondContact O-N 3.48Å; Y212-T215 VanDerWaalsContact O-N 3.14Å; Y212-T215 PolarHBondContact O-OG1 3.27Å; Y213-T215 PolarHBondContact O-N 3.29Å; T215-L244 VanDerWaalsContact O-CB 3.28Å; T215-L244 WeakPolarHBondContact O-CB 3.26Å; T215-L244 PolarHBondContact O-N 2.84Å
216	G	93.8	Very high	93.6	Very high	3 Å²	3	27.6 Å²	27.6	3%	0.031	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	87.7	171.5	179.9	0	0	0	0	0	113.4	P209 S211 W214 L244	P209-G216 VanDerWaalsContact O-CA 3.23Å; P209-G216 WeakPolarHBondContact O-CA 3.02Å; P209-G216 PolarHBondContact O-N 3.1Å; S211-G216 PolarHBondContact O-N 3.4Å; W214-G216 PolarHBondContact O-N 2.66Å; G216-L244 CarbonylContact C-O 3.45Å; G216-L244 VanDerWaalsContact CA-O 3.22Å; G216-L244 WeakPolarHBondContact CA-O 3.39Å
217	T	93.8	Very high	93.3	Very high	5 Å²	5	30 Å²	30	3%	0.031	16%	0.158	C	C	.	.			trans	-163.8	174.5	175.4	-162.2	0	0	0	0	110.6	A208 S211 L244	A208-T217 HydrophobicContact CB-CG2 3.9Å; A208-T217 PolarHBondContact N-O 3.35Å; A208-T217 PolarHBondContact O-N 2.8Å; A208-T217 VanDerWaalsContact O-N 3.15Å; S211-T217 WeakPolarHBondContact OG-CG2 3.41Å; T217-L244 PolarHBondContact N-O 3.01Å
218	V	94.9	Very high	93	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.7	168.2	-170.3	0	0	0	0	108.3	V205 V220 S230 P231 V248 V261 A263	V205-V218 HydrophobicContact CG1-CG1 3.6Å; V218-V220 HydrophobicContact CG1-CG2 3.94Å; V218-S230 WeakPolarHBondContact O-CA 3.45Å; V218-S230 WeakPolarHBondContact O-CB 3.31Å; V218-P231 HydrophobicContact CB-CG 4.47Å; V218-P231 VanDerWaalsContact O-CD 3.28Å; V218-P231 WeakPolarHBondContact O-CD 3.23Å; V218-V248 HydrophobicContact CG1-CG1 4.21Å; V218-V248 HydrophobicContact CG2-CG1 4.25Å; V218-V261 HydrophobicContact CG1-CG1 4.16Å; V218-A263 HydrophobicContact CG2-CB 3.44Å; V218-A263 VanDerWaalsContact CG2-CB 3.44Å
219	K	94.4	Very high	92.8	Very high	16 Å²	16	36.3 Å²	36.3	7%	0.07	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121	170.1	-70.1	-80.8	-177.3	159.5	0	108.2	P175 H188 M206	P175-K219 HydrophobicContact CB-CB 3.9Å; P175-K219 HydrophobicContact CB-CD 4.3Å; P175-K219 HydrophobicContact CB-CG 4.04Å; P175-K219 HydrophobicContact CG-CB 4.35Å; P175-K219 WeakPolarHBondContact O-CD 3.48Å; P175-K219 WeakPolarHBondContact O-CE 3.27Å; P175-K219 PolarHBondContact O-NZ 2.7Å; H188-K219 PolarHBondContact CD2-NZ 3.1Å; H188-K219 VanDerWaalsContact CE1-CE 3.46Å; H188-K219 WeakPolarHBondContact CE1-CE 3.46Å; H188-K219 VanDerWaalsContact NE2-CE 3.33Å; H188-K219 WeakPolarHBondContact NE2-CE 3.49Å; H188-K219 PolarHBondContact NE2-NZ 3.37Å; M206-K219 PolarHBondContact N-O 2.81Å; M206-K219 PolarHBondContact O-N 3.14Å
220	V	95.7	Very high	92.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118	179.6	179.2	0	0	0	0	108.9	L203 V204 V205 V218 F228 Y229 V261 L284	L203-V220 HydrophobicContact CB-CG1 3.95Å; L203-V220 HydrophobicContact CD1-CG1 4.21Å; L203-V220 HydrophobicContact CD2-CG1 4.33Å; L203-V220 HydrophobicContact CG-CG1 4.4Å; V204-V220 WeakPolarHBondContact O-CA 3.37Å; V205-V220 HydrophobicContact CB-CG2 4.38Å; V205-V220 HydrophobicContact CG1-CG2 4.12Å; V205-V220 HydrophobicContact CG2-CG1 4.31Å; V205-V220 HydrophobicContact CG2-CG2 4.07Å; V218-V220 HydrophobicContact CG1-CG2 3.94Å; V220-F228 CarbonylContact O-C 3.58Å; V220-F228 WeakPolarHBondContact O-CA 3.39Å; V220-Y229 PolarHBondContact N-O 3.17Å; V220-Y229 PolarHBondContact O-N 3.09Å; V220-V261 HydrophobicContact CG2-CG1 4.45Å; V220-V261 HydrophobicContact CG2-CG2 4.29Å; V220-L284 HydrophobicContact CB-CD1 4.12Å; V220-L284 HydrophobicContact CG2-CD1 3.56Å
221	Y	95.6	Very high	92.2	Very high	9 Å²	9	38.2 Å²	38.2	4%	0.035	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.5	176	174.9	-116.9	0	0	0	109.7	I161 M171 L173 L203 V204 M223 D226 T227 F228	I161-Y221 HydrophobicContact CD1-CE1 4.35Å; M171-Y221 HydrophobicContact CE-CE1 4.32Å; M171-Y221 VanDerWaalsContact CE-OH 3.29Å; M171-Y221 WeakPolarHBondContact CE-OH 3.45Å; L173-Y221 HydrophobicContact CD1-CD1 4.37Å; L173-Y221 HydrophobicContact CD2-CD1 4.04Å; L173-Y221 HydrophobicContact CD2-CE1 4.06Å; L173-Y221 HydrophobicContact CD2-CG 4.44Å; L203-Y221 WeakPolarHBondContact CA-O 3.1Å; V204-Y221 HydrophobicContact CB-CD1 4.34Å; V204-Y221 HydrophobicContact CG2-CD1 4.34Å; V204-Y221 PolarHBondContact N-O 2.7Å; V204-Y221 PolarHBondContact O-N 2.75Å; Y221-M223 HydrophobicContact CD1-CG 4.08Å; Y221-M223 HydrophobicContact CE1-CB 4.48Å; Y221-M223 HydrophobicContact CE1-CG 3.76Å; Y221-D226 VanDerWaalsContact CE2-OD1 3.27Å; Y221-D226 WeakPolarHBondContact CE2-OD1 3.37Å; Y221-D226 PolarHBondContact OH-OD1 2.91Å; Y221-T227 WeakPolarHBondContact CA-O 3.49Å; Y221-F228 HydrophobicContact CD2-CD1 4.06Å; Y221-F228 HydrophobicContact CD2-CD2 4.08Å; Y221-F228 AromaticContact CD2-CE1 3.69Å; Y221-F228 HydrophobicContact CD2-CE1 3.69Å; Y221-F228 AromaticContact CD2-CE2 3.71Å; Y221-F228 HydrophobicContact CD2-CE2 3.71Å; Y221-F228 HydrophobicContact CD2-CG 4.25Å; Y221-F228 AromaticContact CD2-CZ 3.5Å; Y221-F228 HydrophobicContact CD2-CZ 3.5Å; Y221-F228 VanDerWaalsContact CD2-CZ 3.5Å; Y221-F228 HydrophobicContact CE2-CE2 4.08Å; Y221-F228 HydrophobicContact CE2-CZ 4.11Å; Y221-F228 HydrophobicContact CG-CD1 4.37Å; Y221-F228 AromaticContact CG-CE1 3.87Å; Y221-F228 HydrophobicContact CG-CE1 3.87Å; Y221-F228 HydrophobicContact CG-CZ 4.02Å
222	N	93.6	Very high	91.7	Very high	19 Å²	19	42.1 Å²	42.1	10%	0.102	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	114.5	174.8	177.2	-60.5	0	0	0	109.2	L203 T224 S225 D226 T227 Y229	L203-N222 HydrophobicContact CD2-CB 3.67Å; L203-N222 VanDerWaalsContact CD2-ND2 3.3Å; L203-N222 WeakPolarHBondContact CD2-ND2 3.42Å; N222-T224 VanDerWaalsContact C-N 3.26Å; N222-T224 PolarHBondContact O-N 3.04Å; N222-T224 WeakPolarHBondContact OD1-CA 3.31Å; N222-T224 WeakPolarHBondContact OD1-CB 3.49Å; N222-T224 PolarHBondContact OD1-N 2.74Å; N222-S225 WeakPolarHBondContact CB-OG 3.38Å; N222-S225 PolarHBondContact OD1-N 2.96Å; N222-S225 PolarHBondContact OD1-OG 3.04Å; N222-D226 WeakPolarHBondContact O-CA 2.98Å; N222-D226 PolarHBondContact O-N 2.91Å; N222-T227 PolarHBondContact N-O 2.92Å; N222-Y229 HydrophobicContact CB-CD2 4.46Å; N222-Y229 HydrophobicContact CB-CE2 3.8Å
223	M	90.8	Very high	90.7	Very high	46 Å²	46	44.9 Å²	44.9	23%	0.227	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-19.1	-176.9	-65.7	-151.2	-58.6	0	0	114.1	K135 I161 F199 E202 V204 Y221	K135-M223 HydrophobicContact CD-CE 4.35Å; K135-M223 HydrophobicContact CD-SD 4.44Å; I161-M223 HydrophobicContact CD1-SD 3.82Å; F199-M223 HydrophobicContact CE2-CE 3.76Å; F199-M223 HydrophobicContact CE2-SD 4.12Å; F199-M223 HydrophobicContact CZ-CE 3.8Å; F199-M223 HydrophobicContact CZ-SD 3.88Å; E202-M223 PolarHBondContact O-N 2.95Å; V204-M223 HydrophobicContact CG2-CG 4.35Å; Y221-M223 HydrophobicContact CD1-CG 4.08Å; Y221-M223 HydrophobicContact CE1-CB 4.48Å; Y221-M223 HydrophobicContact CE1-CG 3.76Å
224	T	89.3	Confident	89.7	Confident	102 Å²	102	48.3 Å²	48.3	63%	0.626	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-31	-177.2	-50.3	0	0	0	0	111.8	E202 N222	E202-T224 WeakPolarHBondContact OE2-CB 3.33Å; E202-T224 PolarHBondContact OE2-OG1 3.03Å; N222-T224 VanDerWaalsContact C-N 3.26Å; N222-T224 PolarHBondContact O-N 3.04Å; N222-T224 WeakPolarHBondContact OD1-CA 3.31Å; N222-T224 WeakPolarHBondContact OD1-CB 3.49Å; N222-T224 PolarHBondContact OD1-N 2.74Å
225	S	90.1	Very high	88.5	Confident	57 Å²	57	47 Å²	47	40%	0.399	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-8.2	-179.4	57.4	0	0	0	0	114.5	N222 T227	N222-S225 WeakPolarHBondContact CB-OG 3.38Å; N222-S225 PolarHBondContact OD1-N 2.96Å; N222-S225 PolarHBondContact OD1-OG 3.04Å; S225-T227 VanDerWaalsContact C-N 3.32Å; S225-T227 PolarHBondContact O-N 2.79Å; S225-T227 PolarHBondContact OG-OG1 3.35Å
226	D	90.4	Very high	87.7	Confident	114 Å²	114	47.2 Å²	47.2	61%	0.61	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	43.2	-174.5	-160.1	25.3	0	0	0	113	Y221 N222	Y221-D226 VanDerWaalsContact CE2-OD1 3.27Å; Y221-D226 WeakPolarHBondContact CE2-OD1 3.37Å; Y221-D226 PolarHBondContact OH-OD1 2.91Å; N222-D226 WeakPolarHBondContact O-CA 2.98Å; N222-D226 PolarHBondContact O-N 2.91Å
227	T	91.4	Very high	86.6	Confident	50 Å²	50	49.7 Å²	49.7	31%	0.307	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	152	-178.1	58.4	0	0	0	0	113.2	Y221 N222 S225 Y229	Y221-T227 WeakPolarHBondContact CA-O 3.49Å; N222-T227 PolarHBondContact N-O 2.92Å; S225-T227 VanDerWaalsContact C-N 3.32Å; S225-T227 PolarHBondContact O-N 2.79Å; S225-T227 PolarHBondContact OG-OG1 3.35Å; T227-Y229 PolarHBondContact OG1-OH 2.72Å
228	F	91.4	Very high	85.3	Confident	90 Å²	90	53.9 Å²	53.9	40%	0.395	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.6	173.2	-68.3	-90.1	0	0	0	110.7	L173 P175 M206 V220 Y221	L173-F228 HydrophobicContact CD2-CZ 4.3Å; P175-F228 HydrophobicContact CB-CD1 3.91Å; P175-F228 HydrophobicContact CB-CE1 3.65Å; M206-F228 HydrophobicContact CE-CE1 4.25Å; V220-F228 CarbonylContact O-C 3.58Å; V220-F228 WeakPolarHBondContact O-CA 3.39Å; Y221-F228 HydrophobicContact CD2-CD1 4.06Å; Y221-F228 HydrophobicContact CD2-CD2 4.08Å; Y221-F228 AromaticContact CD2-CE1 3.69Å; Y221-F228 HydrophobicContact CD2-CE1 3.69Å; Y221-F228 AromaticContact CD2-CE2 3.71Å; Y221-F228 HydrophobicContact CD2-CE2 3.71Å; Y221-F228 HydrophobicContact CD2-CG 4.25Å; Y221-F228 AromaticContact CD2-CZ 3.5Å; Y221-F228 HydrophobicContact CD2-CZ 3.5Å; Y221-F228 VanDerWaalsContact CD2-CZ 3.5Å; Y221-F228 HydrophobicContact CE2-CE2 4.08Å; Y221-F228 HydrophobicContact CE2-CZ 4.11Å; Y221-F228 HydrophobicContact CG-CD1 4.37Å; Y221-F228 AromaticContact CG-CE1 3.87Å; Y221-F228 HydrophobicContact CG-CE1 3.87Å; Y221-F228 HydrophobicContact CG-CZ 4.02Å
229	Y	92	Very high	84.5	Confident	43 Å²	43	58 Å²	58	17%	0.169	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	148.8	172.8	-51.3	-55.8	0	0	0	110.4	V220 N222 T227 L279 G282	V220-Y229 PolarHBondContact N-O 3.17Å; V220-Y229 PolarHBondContact O-N 3.09Å; N222-Y229 HydrophobicContact CB-CD2 4.46Å; N222-Y229 HydrophobicContact CB-CE2 3.8Å; T227-Y229 PolarHBondContact OG1-OH 2.72Å; Y229-L279 HydrophobicContact CD1-CD1 4.41Å; Y229-L279 HydrophobicContact CD2-CD1 3.5Å; Y229-L279 VanDerWaalsContact CD2-CD1 3.5Å; Y229-L279 HydrophobicContact CD2-CD2 4.08Å; Y229-L279 HydrophobicContact CD2-CG 4.46Å; Y229-L279 HydrophobicContact CE2-CD1 3.91Å; Y229-L279 HydrophobicContact CE2-CD2 3.92Å; Y229-L279 HydrophobicContact CG-CD1 3.77Å; Y229-G282 WeakPolarHBondContact CD1-O 3.41Å
230	S	90.3	Very high	84.2	Confident	38 Å²	38	64.5 Å²	64.5	27%	0.266	34%	0.34	S	S	.	.			trans	-142.7	156.9	170.9	55.8	0	0	0	0	110	V218	V218-S230 WeakPolarHBondContact O-CA 3.45Å; V218-S230 WeakPolarHBondContact O-CB 3.31Å
231	P	88.6	Confident	84	Confident	10 Å²	10	70.4 Å²	70.4	7%	0.065	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-58.5	144.4	175.9	-27	36.8	0	0	0	113.4	V218 K233 I236 F277 L284	V218-P231 HydrophobicContact CB-CG 4.47Å; V218-P231 VanDerWaalsContact O-CD 3.28Å; V218-P231 WeakPolarHBondContact O-CD 3.23Å; P231-K233 PolarHBondContact O-N 3.33Å; P231-I236 HydrophobicContact CB-CD1 3.39Å; P231-I236 HydrophobicContact CB-CG1 4.4Å; P231-I236 HydrophobicContact CG-CD1 4.09Å; P231-F277 HydrophobicContact CB-CD1 4.02Å; P231-F277 HydrophobicContact CB-CE1 3.73Å; P231-F277 HydrophobicContact CB-CZ 4.24Å; P231-F277 HydrophobicContact CG-CD1 4.05Å; P231-F277 HydrophobicContact CG-CD2 4.43Å; P231-F277 HydrophobicContact CG-CE1 3.9Å; P231-F277 HydrophobicContact CG-CE2 4.28Å; P231-F277 HydrophobicContact CG-CG 4.32Å; P231-F277 HydrophobicContact CG-CZ 4.02Å; P231-L284 WeakPolarHBondContact CA-O 3.36Å; P231-L284 HydrophobicContact CB-CB 4.34Å; P231-L284 HydrophobicContact CG-CB 4.06Å; P231-L284 HydrophobicContact CG-CD1 4.3Å
232	N	81	Confident	83.9	Confident	82 Å²	82	70.2 Å²	70.2	44%	0.439	36%	0.363	S	S	.	.			trans	-67	126.7	170.6	-174.3	9	0	0	0	109.7	D234 S235 L284	N232-D234 VanDerWaalsContact C-N 3.25Å; N232-D234 PolarHBondContact O-N 3.07Å; N232-S235 WeakPolarHBondContact O-CB 3.44Å; N232-S235 PolarHBondContact O-N 3.34Å; N232-S235 PolarHBondContact O-OG 3.41Å; N232-L284 PolarHBondContact N-O 3.26Å
233	K	70.3	Confident	84	Confident	109 Å²	109	72.6 Å²	72.6	47%	0.474	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-58.7	-34.9	-174	-167.4	173.6	-179.9	179.3	0	113	Y212 P231 S235 I236	Y212-K233 HydrophobicContact CD1-CD 4.41Å; Y212-K233 HydrophobicContact CE1-CD 4.15Å; P231-K233 PolarHBondContact O-N 3.33Å; K233-S235 VanDerWaalsContact C-N 3.26Å; K233-S235 PolarHBondContact O-N 2.66Å; K233-I236 PolarHBondContact O-N 3.3Å
234	D	69.6	Low	84.2	Confident	146 Å²	146	70.5 Å²	70.5	78%	0.781	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-74.7	-14.1	179.8	-52.8	-37	0	0	0	113.1	N232	N232-D234 VanDerWaalsContact C-N 3.25Å; N232-D234 PolarHBondContact O-N 3.07Å
235	S	68.3	Low	84.6	Confident	30 Å²	30	65.7 Å²	65.7	21%	0.21	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-86.6	-16.5	177.5	76.3	0	0	0	0	113.4	N232 K233 K286	N232-S235 WeakPolarHBondContact O-CB 3.44Å; N232-S235 PolarHBondContact O-N 3.34Å; N232-S235 PolarHBondContact O-OG 3.41Å; K233-S235 VanDerWaalsContact C-N 3.26Å; K233-S235 PolarHBondContact O-N 2.66Å; S235-K286 VanDerWaalsContact O-CE 3.31Å; S235-K286 WeakPolarHBondContact O-CE 3.32Å; S235-K286 PolarHBondContact O-NZ 3.05Å
236	I	77.5	Confident	84.9	Confident	22 Å²	22	66.3 Å²	66.3	11%	0.113	33%	0.325	C	S	.	.	S	Bend	trans	-101.7	142.7	-179.6	-67.9	160.9	0	0	0	109.6	P231 K233 S238 L244 F277	P231-I236 HydrophobicContact CB-CD1 3.39Å; P231-I236 HydrophobicContact CB-CG1 4.4Å; P231-I236 HydrophobicContact CG-CD1 4.09Å; K233-I236 PolarHBondContact O-N 3.3Å; I236-S238 PolarHBondContact O-N 3.26Å; I236-L244 HydrophobicContact CD1-CD2 3.53Å; I236-L244 HydrophobicContact CG1-CD2 4.22Å; I236-L244 HydrophobicContact CG2-CD2 4.07Å; I236-F277 HydrophobicContact CD1-CE1 3.98Å; I236-F277 HydrophobicContact CD1-CZ 3.93Å; I236-F277 HydrophobicContact CG1-CE1 3.9Å; I236-F277 HydrophobicContact CG1-CZ 4Å
237	D	70.1	Confident	85.3	Confident	56 Å²	56	61.3 Å²	61.3	30%	0.299	30%	0.3	S	S	.	.			trans	-67.8	110.2	175.6	-165.6	-17.6	0	0	0	110.5	H239 H268 K273 Y275	D237-H239 PolarHBondContact O-N 2.73Å; D237-H239 IonicContact OD1-CE1 2.7Å; D237-H239 PolarHBondContact OD1-CE1 3.09Å; D237-H239 VanDerWaalsContact OD1-CE1 3.27Å; D237-H239 IonicContact OD1-CG 3.37Å; D237-H239 IonicContact OD1-ND1 3.1Å; D237-H239 PolarHBondContact OD1-ND1 2.83Å; D237-H268 IonicContact OD2-CE1 2.7Å; D237-H268 PolarHBondContact OD2-CE1 3.48Å; D237-H268 IonicContact OD2-NE2 2.75Å; D237-H268 PolarHBondContact OD2-NE2 3.13Å; D237-K273 IonicContact OD2-NZ 3.49Å; D237-K273 PolarHBondContact OD2-NZ 3.21Å; D237-Y275 WeakPolarHBondContact CB-OH 3.37Å
238	S	66.4	Low	85.6	Confident	93 Å²	93	59.5 Å²	59.5	65%	0.65	29%	0.289	S	S	*	.			trans	-78.3	34.9	-161	72.7	0	0	0	0	115.4	I236 R240	I236-S238 PolarHBondContact O-N 3.26Å; S238-R240 PolarHBondContact O-N 3.02Å
239	H	78.8	Confident	85.9	Confident	86 Å²	86	56 Å²	56	40%	0.398	28%	0.275	S	S	.	.			trans	-75.4	115.3	178.4	-78.1	76.2	0	0	0	110.7	D237 S242 N269	D237-H239 PolarHBondContact O-N 2.73Å; D237-H239 IonicContact OD1-CE1 2.7Å; D237-H239 PolarHBondContact OD1-CE1 3.09Å; D237-H239 VanDerWaalsContact OD1-CE1 3.27Å; D237-H239 IonicContact OD1-CG 3.37Å; D237-H239 IonicContact OD1-ND1 3.1Å; D237-H239 PolarHBondContact OD1-ND1 2.83Å; H239-S242 WeakPolarHBondContact O-CB 3.33Å; H239-S242 PolarHBondContact O-N 2.87Å; H239-S242 PolarHBondContact O-OG 3.49Å; H239-N269 PolarHBondContact CD2-OD1 3.47Å
240	R	86.9	Confident	86.1	Confident	153 Å²	153	54.7 Å²	54.7	58%	0.577	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	154	173.3	-61.1	-174.7	-171.6	-161.8	2.8	110.8	S238 S242	S238-R240 PolarHBondContact O-N 3.02Å; R240-S242 PolarHBondContact O-N 2.87Å
241	Y	90.9	Very high	86.3	Confident	124 Å²	124	53.2 Å²	53.2	49%	0.486	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	19.4	-178.3	-46.6	-83.8	0	0	0	115.4	Y213 W214 Y243 Q267	Y213-Y241 PolarHBondContact O-N 2.92Å; W214-Y241 HydrophobicContact CB-CD1 3.92Å; W214-Y241 HydrophobicContact CB-CG 4.5Å; W214-Y241 HydrophobicContact CD2-CD1 4.15Å; W214-Y241 AromaticContact CD2-CE1 3.98Å; W214-Y241 HydrophobicContact CD2-CE1 3.98Å; W214-Y241 AromaticContact CE3-CD1 3.82Å; W214-Y241 HydrophobicContact CE3-CD1 3.82Å; W214-Y241 AromaticContact CE3-CE1 3.25Å; W214-Y241 HydrophobicContact CE3-CE1 3.25Å; W214-Y241 HydrophobicContact CG-CD1 4.25Å; W214-Y241 AromaticContact CZ3-CE1 3.63Å; W214-Y241 HydrophobicContact CZ3-CE1 3.63Å; W214-Y241 CarbonylContact O-C 3.53Å; W214-Y241 WeakPolarHBondContact O-CA 3.48Å; W214-Y241 PolarHBondContact O-N 2.85Å; Y241-Y243 VanDerWaalsContact C-N 3.32Å; Y241-Y243 PolarHBondContact O-N 2.83Å; Y241-Q267 WeakPolarHBondContact O-CB 3.45Å
242	S	93.7	Very high	86.6	Confident	4 Å²	4	55.8 Å²	55.8	3%	0.028	27%	0.274	C	S	.	.			trans	-70.4	-22.1	174.7	-67.3	0	0	0	0	114.5	W214 H239 R240 L244 A265 Q267 H268	W214-S242 PolarHBondContact O-N 2.75Å; H239-S242 WeakPolarHBondContact O-CB 3.33Å; H239-S242 PolarHBondContact O-N 2.87Å; H239-S242 PolarHBondContact O-OG 3.49Å; R240-S242 PolarHBondContact O-N 2.87Å; S242-L244 PolarHBondContact O-N 2.87Å; S242-A265 CarbonylContact O-C 3.53Å; S242-A265 VanDerWaalsContact O-CA 3.28Å; S242-A265 WeakPolarHBondContact O-CA 3.49Å; S242-A265 WeakPolarHBondContact O-CB 3.46Å; S242-Q267 PolarHBondContact O-N 3.02Å; S242-H268 PolarHBondContact OG-ND1 3.05Å
243	Y	95.9	Very high	87.3	Confident	70 Å²	70	51.9 Å²	51.9	28%	0.275	25%	0.253	S	S	.	.			trans	57.3	40	-175.6	-61	-3.9	0	0	0	114.3	W214 Y241 G245 Y246 Q267	W214-Y243 HydrophobicContact CB-CD1 3.86Å; W214-Y243 HydrophobicContact CB-CE1 3.72Å; W214-Y243 AromaticContact CD1-CE1 3.9Å; W214-Y243 HydrophobicContact CG-CE1 4.06Å; W214-Y243 PolarHBondContact O-N 2.89Å; Y241-Y243 VanDerWaalsContact C-N 3.32Å; Y241-Y243 PolarHBondContact O-N 2.83Å; Y243-G245 PolarHBondContact O-N 2.81Å; Y243-Y246 HydrophobicContact CD2-CD2 4.32Å; Y243-Y246 WeakPolarHBondContact O-CB 3.44Å; Y243-Y246 PolarHBondContact O-N 3.46Å; Y243-Q267 HydrophobicContact CD2-CB 4.28Å; Y243-Q267 HydrophobicContact CD2-CG 3.54Å; Y243-Q267 HydrophobicContact CE2-CG 3.68Å; Y243-Q267 HydrophobicContact CG-CB 4.31Å; Y243-Q267 HydrophobicContact CG-CG 4.06Å
244	L	96.1	Very high	88.4	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-58.6	128.7	175.6	175.9	64.1	0	0	0	111.9	P209 T215 G216 T217 I236 S242 A263 G264 A265 Y275 F277	P209-L244 WeakPolarHBondContact CA-O 3.28Å; T215-L244 VanDerWaalsContact O-CB 3.28Å; T215-L244 WeakPolarHBondContact O-CB 3.26Å; T215-L244 PolarHBondContact O-N 2.84Å; G216-L244 CarbonylContact C-O 3.45Å; G216-L244 VanDerWaalsContact CA-O 3.22Å; G216-L244 WeakPolarHBondContact CA-O 3.39Å; T217-L244 PolarHBondContact N-O 3.01Å; I236-L244 HydrophobicContact CD1-CD2 3.53Å; I236-L244 HydrophobicContact CG1-CD2 4.22Å; I236-L244 HydrophobicContact CG2-CD2 4.07Å; S242-L244 PolarHBondContact O-N 2.87Å; L244-A263 HydrophobicContact CD1-CB 3.94Å; L244-G264 CarbonylContact C-O 3.45Å; L244-G264 WeakPolarHBondContact CA-O 3.49Å; L244-A265 HydrophobicContact CB-CB 4.08Å; L244-A265 HydrophobicContact CD1-CB 4.16Å; L244-Y275 HydrophobicContact CD1-CD2 3.67Å; L244-Y275 HydrophobicContact CD1-CE2 4.18Å; L244-F277 HydrophobicContact CD2-CZ 4.3Å
245	G	96.3	Very high	89.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	22.7	-172.7	0	0	0	0	0	113	G207 Y243 G264	G207-G245 CarbonylContact C-O 3.54Å; G207-G245 WeakPolarHBondContact CA-O 3.43Å; Y243-G245 PolarHBondContact O-N 2.81Å; G245-G264 PolarHBondContact N-O 2.97Å
246	Y	97.9	Very high	90.5	Very high	70 Å²	70	44 Å²	44	28%	0.275	22%	0.222	S	C	.	.	S	Bend	trans	-63.5	-45.6	166.5	-171.2	-89.2	0	0	0	110.7	I195 A196 Y243 G264 P266 Y298	I195-Y246 HydrophobicContact CD1-CD2 4.16Å; I195-Y246 HydrophobicContact CD1-CE2 4.07Å; A196-Y246 WeakPolarHBondContact CB-O 3.46Å; Y243-Y246 HydrophobicContact CD2-CD2 4.32Å; Y243-Y246 WeakPolarHBondContact O-CB 3.44Å; Y243-Y246 PolarHBondContact O-N 3.46Å; Y246-G264 PolarHBondContact N-O 2.7Å; Y246-P266 HydrophobicContact CD1-CG 3.98Å; Y246-P266 HydrophobicContact CD2-CG 4.41Å; Y246-P266 HydrophobicContact CG-CG 3.81Å; Y246-Y298 HydrophobicContact CD1-CE1 4.48Å; Y246-Y298 AromaticContact CE1-CE1 3.87Å; Y246-Y298 HydrophobicContact CE1-CE1 3.87Å; Y246-Y298 WeakPolarHBondContact CE2-OH 3.37Å; Y246-Y298 AromaticContact CZ-CE1 3.91Å
247	A	98.3	Very high	91.1	Very high	9 Å²	9	50.5 Å²	50.5	7%	0.074	26%	0.257	C	S	.	.	S	Bend	trans	-117.6	150.6	164	0	0	0	0	0	110.4	A263 G264 S301 L303	A247-A263 WeakPolarHBondContact O-CA 3.41Å; A247-G264 PolarHBondContact O-N 2.83Å; A247-S301 WeakPolarHBondContact CB-O 3.3Å; A247-L303 HydrophobicContact CB-CD1 4.31Å; A247-L303 HydrophobicContact CB-CG 4.07Å
248	V	98	Very high	92	Very high	13 Å²	13	49.1 Å²	49.1	8%	0.079	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145.6	174	-64.9	0	0	0	0	110.1	A196 V205 V218 A262 A263	A196-V248 HydrophobicContact CB-CG2 4.14Å; V205-V248 HydrophobicContact CG1-CB 3.92Å; V205-V248 HydrophobicContact CG1-CG1 4.26Å; V205-V248 HydrophobicContact CG1-CG2 4.03Å; V218-V248 HydrophobicContact CG1-CG1 4.21Å; V218-V248 HydrophobicContact CG2-CG1 4.25Å; V248-A262 CarbonylContact C-O 3.47Å; V248-A262 WeakPolarHBondContact CA-O 3.28Å; V248-A263 HydrophobicContact CG1-CB 4.06Å
249	T	97.1	Very high	93.2	Very high	16 Å²	16	47 Å²	47	10%	0.098	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	171.5	168.2	-170.3	0	0	0	0	109.4	A262 L303 A305 L316	T249-A262 HydrophobicContact CG2-CB 3.82Å; T249-A262 PolarHBondContact N-O 2.94Å; T249-A262 PolarHBondContact O-N 2.82Å; T249-A262 VanDerWaalsContact O-O 3.07Å; T249-L303 HydrophobicContact CG2-CB 3.63Å; T249-L303 HydrophobicContact CG2-CD1 4.35Å; T249-A305 HydrophobicContact CG2-CB 3.91Å; T249-A305 WeakPolarHBondContact OG1-CB 3.32Å; T249-L316 HydrophobicContact CG2-CD1 3.97Å
250	A	95.9	Very high	94	Very high	15 Å²	15	43 Å²	43	12%	0.124	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	146.8	-178.9	0	0	0	0	0	110.6	V198 T200 V205 I259 D260 A305	V198-A250 HydrophobicContact CG1-CB 3.89Å; T200-A250 HydrophobicContact CG2-CB 3.54Å; V205-A250 HydrophobicContact CG2-CB 4.47Å; A250-I259 HydrophobicContact CB-CG2 4.24Å; A250-D260 VanDerWaalsContact CA-O 3.25Å; A250-D260 WeakPolarHBondContact CA-O 3.47Å; A250-A305 WeakPolarHBondContact O-CB 3.47Å
251	G	94.6	Very high	94.4	Very high	7 Å²	7	35.7 Å²	35.7	7%	0.072	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.4	-176.3	-174.8	0	0	0	0	0	112.8	F253 D260	G251-F253 PolarHBondContact O-N 2.88Å; G251-D260 PolarHBondContact N-O 3.43Å; G251-D260 PolarHBondContact O-N 2.58Å
252	H	94.9	Very high	94.7	Very high	64 Å²	64	29.8 Å²	29.8	30%	0.296	17%	0.165	S	C	.	.			trans	-91.9	63.1	-173.1	-64.4	-61.2	0	0	0	111.8	P256 A258 L313 S314	H252-P256 PolarHBondContact ND1-O 2.85Å; H252-A258 PolarHBondContact ND1-O 2.86Å; H252-L313 WeakPolarHBondContact O-CA 3.43Å; H252-L313 WeakPolarHBondContact O-CB 3.01Å; H252-L313 WeakPolarHBondContact O-CD2 3.37Å; H252-S314 PolarHBondContact N-OG 2.84Å; H252-S314 PolarHBondContact O-N 2.92Å
253	F	95.4	Very high	94.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-73.4	-41.4	-174.4	-63.7	-64.5	0	0	0	113	G251 D260 A262 I276 A305 S314 L316 S337 M343	G251-F253 PolarHBondContact O-N 2.88Å; F253-D260 HydrophobicContact CB-CB 3.98Å; F253-D260 HydrophobicContact CD2-CB 3.72Å; F253-D260 HydrophobicContact CG-CB 4.33Å; F253-A262 HydrophobicContact CE2-CB 3.85Å; F253-A262 HydrophobicContact CZ-CB 4.22Å; F253-I276 HydrophobicContact CB-CD1 4.24Å; F253-I276 HydrophobicContact CB-CG2 4.08Å; F253-I276 HydrophobicContact CD1-CD1 3.97Å; F253-I276 HydrophobicContact CD2-CD1 4.16Å; F253-I276 HydrophobicContact CD2-CG2 3.61Å; F253-I276 HydrophobicContact CE1-CD1 4.43Å; F253-I276 HydrophobicContact CE2-CG2 4.39Å; F253-I276 HydrophobicContact CG-CD1 3.86Å; F253-I276 HydrophobicContact CG-CG2 4.02Å; F253-A305 HydrophobicContact CE2-CB 4.37Å; F253-A305 HydrophobicContact CZ-CB 3.69Å; F253-S314 WeakPolarHBondContact CD1-O 3.24Å; F253-S314 VanDerWaalsContact CE1-O 3.24Å; F253-S314 WeakPolarHBondContact CE1-O 3.23Å; F253-L316 HydrophobicContact CE1-CB 3.79Å; F253-L316 HydrophobicContact CE1-CD1 4.33Å; F253-L316 HydrophobicContact CZ-CB 4.26Å; F253-L316 HydrophobicContact CZ-CD1 3.92Å; F253-S337 PolarHBondContact O-OG 2.85Å; F253-M343 HydrophobicContact CB-SD 4.39Å; F253-M343 HydrophobicContact CD1-CE 3.81Å; F253-M343 HydrophobicContact CD1-SD 3.95Å; F253-M343 HydrophobicContact CE1-CE 4.2Å
254	S	93.1	Very high	94.9	Very high	11 Å²	11	26.3 Å²	26.3	8%	0.077	15%	0.151	C	C	.	.	S	Bend	trans	-94.9	-29.5	-177.7	65.4	0	0	0	0	114.8	D260 N340	S254-D260 WeakPolarHBondContact CA-OD2 3.19Å; S254-D260 WeakPolarHBondContact CB-OD2 3.25Å; S254-D260 PolarHBondContact N-OD2 3Å; S254-D260 PolarHBondContact OG-OD2 3.13Å; S254-N340 PolarHBondContact O-N 3.37Å
255	S	92.4	Very high	95	Very high	44 Å²	44	26.2 Å²	26.2	31%	0.308	15%	0.15	S	C	.	.			trans	-162.9	146.5	-179.7	-176.4	0	0	0	0	110.3	N257 A258	S255-N257 PolarHBondContact O-N 2.79Å; S255-A258 PolarHBondContact O-N 3.24Å
256	P	90.8	Very high	95	Very high	66 Å²	66	26.3 Å²	26.3	43%	0.429	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.6	175.2	-25	35.5	0	0	0	114.3	H252 G312 L313	H252-P256 PolarHBondContact ND1-O 2.85Å; P256-G312 WeakPolarHBondContact CB-O 3.24Å; P256-G312 WeakPolarHBondContact CG-O 3.37Å; P256-L313 HydrophobicContact CG-CD2 4.15Å
257	N	89.5	Confident	94.9	Very high	158 Å²	158	26.9 Å²	26.9	85%	0.845	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.1	2.1	179.4	-61.3	-54.2	0	0	0	113.9	S255	S255-N257 PolarHBondContact O-N 2.79Å
258	A	89.8	Confident	94.7	Very high	26 Å²	26	26.5 Å²	26.5	22%	0.215	15%	0.153	C	C	.	.			trans	-120.9	131.3	-177.7	0	0	0	0	0	110.7	H252 S255	H252-A258 PolarHBondContact ND1-O 2.86Å; S255-A258 PolarHBondContact O-N 3.24Å
259	I	91.9	Very high	94.4	Very high	50 Å²	50	30.1 Å²	30.1	26%	0.256	17%	0.172	S	C	.	.			trans	-92.3	114	173.1	-62.5	175.7	0	0	0	108.3	T200 L203 A250	T200-I259 HydrophobicContact CG2-CG2 3.99Å; L203-I259 HydrophobicContact CD1-CB 4.49Å; L203-I259 HydrophobicContact CD1-CG2 4.11Å; A250-I259 HydrophobicContact CB-CG2 4.24Å
260	D	94.6	Very high	94.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	152.3	174.3	-71	-58.7	0	0	0	110.3	A250 G251 F253 S254 I276 K278	A250-D260 VanDerWaalsContact CA-O 3.25Å; A250-D260 WeakPolarHBondContact CA-O 3.47Å; G251-D260 PolarHBondContact N-O 3.43Å; G251-D260 PolarHBondContact O-N 2.58Å; F253-D260 HydrophobicContact CB-CB 3.98Å; F253-D260 HydrophobicContact CD2-CB 3.72Å; F253-D260 HydrophobicContact CG-CB 4.33Å; S254-D260 WeakPolarHBondContact CA-OD2 3.19Å; S254-D260 WeakPolarHBondContact CB-OD2 3.25Å; S254-D260 PolarHBondContact N-OD2 3Å; S254-D260 PolarHBondContact OG-OD2 3.13Å; D260-I276 HydrophobicContact CB-CG2 3.91Å; D260-K278 WeakPolarHBondContact OD1-CA 3.3Å; D260-K278 WeakPolarHBondContact OD1-CB 3.4Å; D260-K278 VanDerWaalsContact OD1-CG 3.24Å; D260-K278 WeakPolarHBondContact OD1-CG 3.49Å
261	V	95.6	Very high	94.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.4	-173.8	177.3	0	0	0	0	110.3	V205 V218 V220 I276 F277	V205-V261 HydrophobicContact CG1-CG1 3.63Å; V205-V261 HydrophobicContact CG2-CG1 4.26Å; V205-V261 HydrophobicContact CG2-CG2 3.96Å; V218-V261 HydrophobicContact CG1-CG1 4.16Å; V220-V261 HydrophobicContact CG2-CG1 4.45Å; V220-V261 HydrophobicContact CG2-CG2 4.29Å; V261-I276 CarbonylContact O-C 3.56Å; V261-I276 WeakPolarHBondContact O-CA 3.48Å; V261-F277 PolarHBondContact N-O 2.6Å; V261-F277 PolarHBondContact O-N 2.82Å
262	A	96.9	Very high	94.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.2	175.2	0	0	0	0	0	111.2	V248 T249 F253 Y275 I276 L303 L316	V248-A262 CarbonylContact C-O 3.47Å; V248-A262 WeakPolarHBondContact CA-O 3.28Å; T249-A262 HydrophobicContact CG2-CB 3.82Å; T249-A262 PolarHBondContact N-O 2.94Å; T249-A262 PolarHBondContact O-N 2.82Å; T249-A262 VanDerWaalsContact O-O 3.07Å; F253-A262 HydrophobicContact CE2-CB 3.85Å; F253-A262 HydrophobicContact CZ-CB 4.22Å; A262-Y275 CarbonylContact C-O 3.55Å; A262-Y275 VanDerWaalsContact CA-O 3.29Å; A262-Y275 WeakPolarHBondContact CA-O 3.29Å; A262-I276 HydrophobicContact CB-CG1 4.08Å; A262-L303 HydrophobicContact CB-CD1 4.39Å; A262-L316 HydrophobicContact CB-CD1 3.89Å
263	A	97.3	Very high	94.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	140.6	-179.8	0	0	0	0	0	112.9	V218 L244 A247 V248 V274 Y275 F277	V218-A263 HydrophobicContact CG2-CB 3.44Å; V218-A263 VanDerWaalsContact CG2-CB 3.44Å; L244-A263 HydrophobicContact CD1-CB 3.94Å; A247-A263 WeakPolarHBondContact O-CA 3.41Å; V248-A263 HydrophobicContact CG1-CB 4.06Å; A263-V274 WeakPolarHBondContact O-CA 3.48Å; A263-Y275 PolarHBondContact N-O 3.5Å; A263-Y275 PolarHBondContact O-N 3.39Å; A263-F277 HydrophobicContact CB-CE2 4.31Å
264	G	97.6	Very high	94.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	146.3	-177.1	0	0	0	0	0	112.9	L244 G245 Y246 A247 G300	L244-G264 CarbonylContact C-O 3.45Å; L244-G264 WeakPolarHBondContact CA-O 3.49Å; G245-G264 PolarHBondContact N-O 2.97Å; Y246-G264 PolarHBondContact N-O 2.7Å; A247-G264 PolarHBondContact O-N 2.83Å; G264-G300 WeakPolarHBondContact CA-O 3.46Å
265	A	97.1	Very high	94.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	71.7	179.3	0	0	0	0	0	109.2	S242 L244 Q267 H268 K273 Y275	S242-A265 CarbonylContact O-C 3.53Å; S242-A265 VanDerWaalsContact O-CA 3.28Å; S242-A265 WeakPolarHBondContact O-CA 3.49Å; S242-A265 WeakPolarHBondContact O-CB 3.46Å; L244-A265 HydrophobicContact CB-CB 4.08Å; L244-A265 HydrophobicContact CD1-CB 4.16Å; A265-Q267 VanDerWaalsContact C-N 3.27Å; A265-Q267 PolarHBondContact O-N 3.27Å; A265-H268 HydrophobicContact CB-CB 4.12Å; A265-H268 VanDerWaalsContact O-CB 3.23Å; A265-H268 WeakPolarHBondContact O-CB 3.5Å; A265-H268 PolarHBondContact O-N 3.31Å; A265-K273 PolarHBondContact N-O 2.94Å; A265-K273 PolarHBondContact O-N 3.04Å; A265-K273 VanDerWaalsContact O-N 3.11Å; A265-Y275 HydrophobicContact CB-CE2 4.25Å
266	P	97.1	Very high	94.5	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.013	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.4	-162.6	29.1	-37.1	0	0	0	115.2	Y246 G272 Y298 F299	Y246-P266 HydrophobicContact CD1-CG 3.98Å; Y246-P266 HydrophobicContact CD2-CG 4.41Å; Y246-P266 HydrophobicContact CG-CG 3.81Å; P266-G272 WeakPolarHBondContact O-CA 2.97Å; P266-Y298 HydrophobicContact CB-CD1 4.09Å; P266-Y298 HydrophobicContact CB-CD2 3.72Å; P266-Y298 HydrophobicContact CB-CE1 4.14Å; P266-Y298 HydrophobicContact CB-CE2 3.78Å; P266-Y298 HydrophobicContact CB-CG 3.84Å; P266-Y298 VanDerWaalsContact CB-O 3.32Å; P266-Y298 WeakPolarHBondContact CB-O 3.25Å; P266-Y298 HydrophobicContact CG-CD1 4.5Å; P266-Y298 HydrophobicContact CG-CD2 4.31Å; P266-Y298 HydrophobicContact CG-CE1 4.05Å; P266-Y298 HydrophobicContact CG-CE2 3.84Å; P266-F299 WeakPolarHBondContact CA-O 3.23Å
267	Q	95.4	Very high	94.7	Very high	82 Å²	82	22.7 Å²	22.7	38%	0.383	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-5.7	172.7	-73.3	-67.5	-2.6	0	0	113.5	Y241 S242 Y243 A265 N269 G270 Y298	Y241-Q267 WeakPolarHBondContact O-CB 3.45Å; S242-Q267 PolarHBondContact O-N 3.02Å; Y243-Q267 HydrophobicContact CD2-CB 4.28Å; Y243-Q267 HydrophobicContact CD2-CG 3.54Å; Y243-Q267 HydrophobicContact CE2-CG 3.68Å; Y243-Q267 HydrophobicContact CG-CB 4.31Å; Y243-Q267 HydrophobicContact CG-CG 4.06Å; A265-Q267 VanDerWaalsContact C-N 3.27Å; A265-Q267 PolarHBondContact O-N 3.27Å; Q267-N269 PolarHBondContact O-N 3.31Å; Q267-N269 VanDerWaalsContact O-N 3.08Å; Q267-G270 PolarHBondContact O-N 3.39Å; Q267-Y298 HydrophobicContact CG-CE2 3.98Å
268	H	94.3	Very high	94.8	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.009	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-57.7	117.8	-174.8	-175.6	81	0	0	0	111.7	D237 S242 A265 G270 V271 G272 K273	D237-H268 IonicContact OD2-CE1 2.7Å; D237-H268 PolarHBondContact OD2-CE1 3.48Å; D237-H268 IonicContact OD2-NE2 2.75Å; D237-H268 PolarHBondContact OD2-NE2 3.13Å; S242-H268 PolarHBondContact OG-ND1 3.05Å; A265-H268 HydrophobicContact CB-CB 4.12Å; A265-H268 VanDerWaalsContact O-CB 3.23Å; A265-H268 WeakPolarHBondContact O-CB 3.5Å; A265-H268 PolarHBondContact O-N 3.31Å; H268-G270 PolarHBondContact O-N 3.1Å; H268-V271 PolarHBondContact O-N 2.79Å; H268-G272 PolarHBondContact O-N 2.72Å; H268-K273 HydrophobicContact CB-CB 3.88Å; H268-K273 WeakPolarHBondContact CD2-CD 3.46Å; H268-K273 VanDerWaalsContact NE2-CD 3.32Å; H268-K273 WeakPolarHBondContact NE2-CD 3.24Å; H268-K273 PolarHBondContact NE2-NZ 2.65Å
269	N	91.9	Very high	94.7	Very high	89 Å²	89	19.7 Å²	19.7	48%	0.476	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	49.1	27.2	-174.1	-63.6	-10.7	0	0	0	114.5	H239 Q267 V271	H239-N269 PolarHBondContact CD2-OD1 3.47Å; Q267-N269 PolarHBondContact O-N 3.31Å; Q267-N269 VanDerWaalsContact O-N 3.08Å; N269-V271 HydrophobicContact CB-CG2 4.45Å; N269-V271 PolarHBondContact O-N 2.97Å
270	G	90.9	Very high	94.4	Very high	19 Å²	19	21.4 Å²	21.4	20%	0.196	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	67.9	-4.3	-177.9	0	0	0	0	0	115.6	Q267 H268 M295 G296	Q267-G270 PolarHBondContact O-N 3.39Å; H268-G270 PolarHBondContact O-N 3.1Å; G270-M295 CarbonylContact O-C 3.55Å; G270-M295 WeakPolarHBondContact O-CA 3.4Å; G270-M295 WeakPolarHBondContact O-CG 2.99Å; G270-G296 PolarHBondContact O-N 2.85Å
271	V	94.4	Very high	93.6	Very high	39 Å²	39	27.1 Å²	27.1	24%	0.236	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-19.1	178.9	-65.3	0	0	0	0	113.2	H268 N269 G292 M295	H268-V271 PolarHBondContact O-N 2.79Å; N269-V271 HydrophobicContact CB-CG2 4.45Å; N269-V271 PolarHBondContact O-N 2.97Å; V271-G292 WeakPolarHBondContact O-CA 3.3Å; V271-M295 HydrophobicContact CG1-CB 4.23Å
272	G	96.2	Very high	92.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	82.4	155.8	-174.8	0	0	0	0	0	113.1	P266 H268 G292 F299	P266-G272 WeakPolarHBondContact O-CA 2.97Å; H268-G272 PolarHBondContact O-N 2.72Å; G272-G292 PolarHBondContact O-N 3.37Å; G272-F299 CarbonylContact C-O 3.28Å; G272-F299 VanDerWaalsContact CA-O 3.27Å; G272-F299 WeakPolarHBondContact CA-O 3.31Å
273	K	96.1	Very high	92.3	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	151.1	-176.4	-164.7	167.7	178	-171.2	0	110.7	D237 A265 H268 Y275 A290 F299	D237-K273 IonicContact OD2-NZ 3.49Å; D237-K273 PolarHBondContact OD2-NZ 3.21Å; A265-K273 PolarHBondContact N-O 2.94Å; A265-K273 PolarHBondContact O-N 3.04Å; A265-K273 VanDerWaalsContact O-N 3.11Å; H268-K273 HydrophobicContact CB-CB 3.88Å; H268-K273 WeakPolarHBondContact CD2-CD 3.46Å; H268-K273 VanDerWaalsContact NE2-CD 3.32Å; H268-K273 WeakPolarHBondContact NE2-CD 3.24Å; H268-K273 PolarHBondContact NE2-NZ 2.65Å; K273-Y275 HydrophobicContact CB-CE2 4.45Å; K273-Y275 HydrophobicContact CD-CE1 4.44Å; K273-Y275 HydrophobicContact CD-CE2 4.07Å; K273-Y275 WeakPolarHBondContact CD-OH 3.45Å; K273-Y275 VanDerWaalsContact CE-OH 3.23Å; K273-Y275 WeakPolarHBondContact CE-OH 3.35Å; K273-Y275 HydrophobicContact CG-CE2 4.04Å; K273-Y275 PolarHBondContact NZ-OH 2.71Å; K273-A290 CarbonylContact C-O 3.6Å; K273-A290 WeakPolarHBondContact CA-O 3.47Å; K273-A290 VanDerWaalsContact CG-O 3.29Å; K273-A290 WeakPolarHBondContact CG-O 3.28Å; K273-F299 PolarHBondContact N-O 3.15Å
274	V	96.9	Very high	92	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	152.8	170.5	-60.6	0	0	0	0	110.6	A263 Q289 A290 F299 L303 L316 V318	A263-V274 WeakPolarHBondContact O-CA 3.48Å; V274-Q289 VanDerWaalsContact O-CA 3.24Å; V274-Q289 WeakPolarHBondContact O-CA 3.31Å; V274-A290 HydrophobicContact CG2-CB 3.91Å; V274-A290 PolarHBondContact N-O 3.45Å; V274-A290 PolarHBondContact O-N 3.09Å; V274-F299 HydrophobicContact CG1-CD1 4.45Å; V274-F299 HydrophobicContact CG1-CE1 4Å; V274-F299 HydrophobicContact CG2-CE1 4.12Å; V274-F299 HydrophobicContact CG2-CZ 4.48Å; V274-L303 HydrophobicContact CG1-CD2 3.72Å; V274-L316 HydrophobicContact CG2-CD2 4.37Å; V274-V318 HydrophobicContact CG1-CB 4.43Å; V274-V318 HydrophobicContact CG1-CG1 3.52Å; V274-V318 HydrophobicContact CG1-CG2 4Å; V274-V318 HydrophobicContact CG2-CG2 4.24Å
275	Y	95.6	Very high	91.7	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.9	176.6	-63.1	-90.6	0	0	0	109.4	D237 L244 A262 A263 A265 K273 F277 K286 F288 Q289	D237-Y275 WeakPolarHBondContact CB-OH 3.37Å; L244-Y275 HydrophobicContact CD1-CD2 3.67Å; L244-Y275 HydrophobicContact CD1-CE2 4.18Å; A262-Y275 CarbonylContact C-O 3.55Å; A262-Y275 VanDerWaalsContact CA-O 3.29Å; A262-Y275 WeakPolarHBondContact CA-O 3.29Å; A263-Y275 PolarHBondContact N-O 3.5Å; A263-Y275 PolarHBondContact O-N 3.39Å; A265-Y275 HydrophobicContact CB-CE2 4.25Å; K273-Y275 HydrophobicContact CB-CE2 4.45Å; K273-Y275 HydrophobicContact CD-CE1 4.44Å; K273-Y275 HydrophobicContact CD-CE2 4.07Å; K273-Y275 WeakPolarHBondContact CD-OH 3.45Å; K273-Y275 VanDerWaalsContact CE-OH 3.23Å; K273-Y275 WeakPolarHBondContact CE-OH 3.35Å; K273-Y275 HydrophobicContact CG-CE2 4.04Å; K273-Y275 PolarHBondContact NZ-OH 2.71Å; Y275-F277 VanDerWaalsContact CB-CE2 3.48Å; Y275-F277 HydrophobicContact CD1-CZ 4.45Å; Y275-F277 HydrophobicContact CG-CE2 4.37Å; Y275-F277 HydrophobicContact CG-CZ 4.04Å; Y275-K286 HydrophobicContact CD1-CD 3.69Å; Y275-K286 HydrophobicContact CD1-CG 4.2Å; Y275-K286 HydrophobicContact CE1-CD 3.98Å; Y275-F288 WeakPolarHBondContact CA-O 3.36Å; Y275-Q289 HydrophobicContact CD1-CB 3.75Å; Y275-Q289 HydrophobicContact CE1-CB 4.02Å
276	I	95.7	Very high	91.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	131.9	165.2	-51.9	175.1	0	0	0	107.6	F253 D260 V261 A262 N287 F288 L316 M343	F253-I276 HydrophobicContact CB-CD1 4.24Å; F253-I276 HydrophobicContact CB-CG2 4.08Å; F253-I276 HydrophobicContact CD1-CD1 3.97Å; F253-I276 HydrophobicContact CD2-CD1 4.16Å; F253-I276 HydrophobicContact CD2-CG2 3.61Å; F253-I276 HydrophobicContact CE1-CD1 4.43Å; F253-I276 HydrophobicContact CE2-CG2 4.39Å; F253-I276 HydrophobicContact CG-CD1 3.86Å; F253-I276 HydrophobicContact CG-CG2 4.02Å; D260-I276 HydrophobicContact CB-CG2 3.91Å; V261-I276 CarbonylContact O-C 3.56Å; V261-I276 WeakPolarHBondContact O-CA 3.48Å; A262-I276 HydrophobicContact CB-CG1 4.08Å; I276-N287 PolarHBondContact O-N 2.91Å; I276-F288 HydrophobicContact CB-CB 4.05Å; I276-F288 HydrophobicContact CD1-CB 4.08Å; I276-F288 HydrophobicContact CD1-CD1 3.81Å; I276-F288 HydrophobicContact CD1-CG 4.28Å; I276-F288 HydrophobicContact CG1-CB 4.18Å; I276-F288 HydrophobicContact CG1-CD1 4.04Å; I276-F288 PolarHBondContact N-O 2.7Å; I276-F288 PolarHBondContact O-N 2.74Å; I276-L316 HydrophobicContact CD1-CD2 4.21Å; I276-L316 HydrophobicContact CG1-CD2 4.37Å; I276-M343 HydrophobicContact CD1-CE 4.46Å; I276-M343 HydrophobicContact CD1-CG 3.81Å; I276-M343 HydrophobicContact CD1-SD 3.97Å
277	F	94	Very high	91.1	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.8	179.5	-55.7	-88.4	0	0	0	110.8	P231 I236 L244 V261 A263 Y275 L284 V285 K286	P231-F277 HydrophobicContact CB-CD1 4.02Å; P231-F277 HydrophobicContact CB-CE1 3.73Å; P231-F277 HydrophobicContact CB-CZ 4.24Å; P231-F277 HydrophobicContact CG-CD1 4.05Å; P231-F277 HydrophobicContact CG-CD2 4.43Å; P231-F277 HydrophobicContact CG-CE1 3.9Å; P231-F277 HydrophobicContact CG-CE2 4.28Å; P231-F277 HydrophobicContact CG-CG 4.32Å; P231-F277 HydrophobicContact CG-CZ 4.02Å; I236-F277 HydrophobicContact CD1-CE1 3.98Å; I236-F277 HydrophobicContact CD1-CZ 3.93Å; I236-F277 HydrophobicContact CG1-CE1 3.9Å; I236-F277 HydrophobicContact CG1-CZ 4Å; L244-F277 HydrophobicContact CD2-CZ 4.3Å; V261-F277 PolarHBondContact N-O 2.6Å; V261-F277 PolarHBondContact O-N 2.82Å; A263-F277 HydrophobicContact CB-CE2 4.31Å; Y275-F277 VanDerWaalsContact CB-CE2 3.48Å; Y275-F277 HydrophobicContact CD1-CZ 4.45Å; Y275-F277 HydrophobicContact CG-CE2 4.37Å; Y275-F277 HydrophobicContact CG-CZ 4.04Å; F277-L284 HydrophobicContact CB-CB 4.01Å; F277-L284 HydrophobicContact CB-CD2 4.23Å; F277-L284 HydrophobicContact CG-CB 4.49Å; F277-V285 CarbonylContact C-O 3.42Å; F277-V285 VanDerWaalsContact CA-O 3.27Å; F277-V285 WeakPolarHBondContact CA-O 3.2Å; F277-K286 HydrophobicContact CD1-CB 4.05Å; F277-K286 HydrophobicContact CE1-CB 4.02Å
278	K	91.7	Very high	91	Very high	67 Å²	67	37.8 Å²	37.8	29%	0.291	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	141.9	172.4	-174.1	175.7	176.3	-155.1	0	110.1	D260 E280 L284 V285 N287	D260-K278 WeakPolarHBondContact OD1-CA 3.3Å; D260-K278 WeakPolarHBondContact OD1-CB 3.4Å; D260-K278 VanDerWaalsContact OD1-CG 3.24Å; D260-K278 WeakPolarHBondContact OD1-CG 3.49Å; K278-E280 HydrophobicContact CB-CG 4.44Å; K278-E280 HydrophobicContact CD-CG 3.99Å; K278-E280 WeakPolarHBondContact CD-OE1 3.36Å; K278-E280 VanDerWaalsContact CE-OE1 3.24Å; K278-E280 WeakPolarHBondContact CE-OE1 3.32Å; K278-E280 HydrophobicContact CG-CG 3.89Å; K278-E280 IonicContact NZ-OE1 3.28Å; K278-E280 PolarHBondContact NZ-OE1 2.86Å; K278-E280 PolarHBondContact O-N 2.79Å; K278-L284 WeakPolarHBondContact O-CA 3.5Å; K278-V285 PolarHBondContact N-O 2.79Å; K278-V285 PolarHBondContact O-N 2.88Å; K278-N287 HydrophobicContact CB-CB 4.39Å
279	L	87.9	Confident	91	Very high	54 Å²	54	41.6 Å²	41.6	28%	0.283	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	107.6	174.2	-175.9	64	0	0	0	109.8	Y229 L284	Y229-L279 HydrophobicContact CD1-CD1 4.41Å; Y229-L279 HydrophobicContact CD2-CD1 3.5Å; Y229-L279 VanDerWaalsContact CD2-CD1 3.5Å; Y229-L279 HydrophobicContact CD2-CD2 4.08Å; Y229-L279 HydrophobicContact CD2-CG 4.46Å; Y229-L279 HydrophobicContact CE2-CD1 3.91Å; Y229-L279 HydrophobicContact CE2-CD2 3.92Å; Y229-L279 HydrophobicContact CG-CD1 3.77Å; L279-L284 HydrophobicContact CB-CD2 4.18Å; L279-L284 HydrophobicContact CD1-CD2 4.14Å; L279-L284 HydrophobicContact CD1-CG 4.44Å
280	E	85.4	Confident	91.2	Very high	86 Å²	86	38 Å²	38	40%	0.402	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.7	178.3	-60.4	-162.5	147.3	0	0	110.8	K278 G282 S283 V285	K278-E280 HydrophobicContact CB-CG 4.44Å; K278-E280 HydrophobicContact CD-CG 3.99Å; K278-E280 WeakPolarHBondContact CD-OE1 3.36Å; K278-E280 VanDerWaalsContact CE-OE1 3.24Å; K278-E280 WeakPolarHBondContact CE-OE1 3.32Å; K278-E280 HydrophobicContact CG-CG 3.89Å; K278-E280 IonicContact NZ-OE1 3.28Å; K278-E280 PolarHBondContact NZ-OE1 2.86Å; K278-E280 PolarHBondContact O-N 2.79Å; E280-G282 PolarHBondContact O-N 2.82Å; E280-S283 PolarHBondContact N-O 3.42Å; E280-S283 PolarHBondContact O-N 2.9Å; E280-S283 VanDerWaalsContact O-O 3.05Å; E280-V285 HydrophobicContact CB-CG2 4.1Å
281	A	77.9	Confident	91.4	Very high	120 Å²	120	40 Å²	40	99%	0.992	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	27.1	175.8	0	0	0	0	0	116.1
282	G	79.4	Confident	91.4	Very high	43 Å²	43	38.6 Å²	38.6	44%	0.443	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	18.3	-177.4	0	0	0	0	0	115	Y229 E280	Y229-G282 WeakPolarHBondContact CD1-O 3.41Å; E280-G282 PolarHBondContact O-N 2.82Å
283	S	86.5	Confident	91.3	Very high	41 Å²	41	45.6 Å²	45.6	29%	0.287	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	160.7	171.1	-163.8	0	0	0	0	111.3	E280	E280-S283 PolarHBondContact N-O 3.42Å; E280-S283 PolarHBondContact O-N 2.9Å; E280-S283 VanDerWaalsContact O-O 3.05Å
284	L	89.9	Confident	91.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	107.5	174.5	-72.3	166.3	0	0	0	109.1	V220 P231 N232 F277 K278 L279	V220-L284 HydrophobicContact CB-CD1 4.12Å; V220-L284 HydrophobicContact CG2-CD1 3.56Å; P231-L284 WeakPolarHBondContact CA-O 3.36Å; P231-L284 HydrophobicContact CB-CB 4.34Å; P231-L284 HydrophobicContact CG-CB 4.06Å; P231-L284 HydrophobicContact CG-CD1 4.3Å; N232-L284 PolarHBondContact N-O 3.26Å; F277-L284 HydrophobicContact CB-CB 4.01Å; F277-L284 HydrophobicContact CB-CD2 4.23Å; F277-L284 HydrophobicContact CG-CB 4.49Å; K278-L284 WeakPolarHBondContact O-CA 3.5Å; L279-L284 HydrophobicContact CB-CD2 4.18Å; L279-L284 HydrophobicContact CD1-CD2 4.14Å; L279-L284 HydrophobicContact CD1-CG 4.44Å
285	V	90.5	Very high	91.1	Very high	63 Å²	63	55.2 Å²	55.2	38%	0.382	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.1	-178.5	-177.9	0	0	0	0	108.8	F277 K278 E280 N287	F277-V285 CarbonylContact C-O 3.42Å; F277-V285 VanDerWaalsContact CA-O 3.27Å; F277-V285 WeakPolarHBondContact CA-O 3.2Å; K278-V285 PolarHBondContact N-O 2.79Å; K278-V285 PolarHBondContact O-N 2.88Å; E280-V285 HydrophobicContact CB-CG2 4.1Å; V285-N287 PolarHBondContact O-N 3.46Å
286	K	91.9	Very high	91	Very high	68 Å²	68	57.3 Å²	57.3	30%	0.296	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	120.8	177	-179.2	-175.1	68.4	-169.5	0	110.4	S235 Y275 F277 Q289	S235-K286 VanDerWaalsContact O-CE 3.31Å; S235-K286 WeakPolarHBondContact O-CE 3.32Å; S235-K286 PolarHBondContact O-NZ 3.05Å; Y275-K286 HydrophobicContact CD1-CD 3.69Å; Y275-K286 HydrophobicContact CD1-CG 4.2Å; Y275-K286 HydrophobicContact CE1-CD 3.98Å; F277-K286 HydrophobicContact CD1-CB 4.05Å; F277-K286 HydrophobicContact CE1-CB 4.02Å; K286-Q289 HydrophobicContact CD-CB 4.48Å; K286-Q289 HydrophobicContact CD-CG 4.41Å
287	N	90.7	Very high	91	Very high	56 Å²	56	57.4 Å²	57.4	30%	0.299	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-48	179.5	-164	11.4	0	0	0	111	I276 K278 V285 G341	I276-N287 PolarHBondContact O-N 2.91Å; K278-N287 HydrophobicContact CB-CB 4.39Å; V285-N287 PolarHBondContact O-N 3.46Å; N287-G341 WeakPolarHBondContact ND2-CA 3.32Å
288	F	93.4	Very high	91.1	Very high	37 Å²	37	58.5 Å²	58.5	16%	0.162	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	157.9	-179.5	177.2	-101.4	0	0	0	112.1	Y275 I276 A290 Y335 M343	Y275-F288 WeakPolarHBondContact CA-O 3.36Å; I276-F288 HydrophobicContact CB-CB 4.05Å; I276-F288 HydrophobicContact CD1-CB 4.08Å; I276-F288 HydrophobicContact CD1-CD1 3.81Å; I276-F288 HydrophobicContact CD1-CG 4.28Å; I276-F288 HydrophobicContact CG1-CB 4.18Å; I276-F288 HydrophobicContact CG1-CD1 4.04Å; I276-F288 PolarHBondContact N-O 2.7Å; I276-F288 PolarHBondContact O-N 2.74Å; F288-A290 HydrophobicContact CE1-CB 3.71Å; F288-A290 HydrophobicContact CZ-CB 3.77Å; F288-Y335 HydrophobicContact CZ-CD1 4.42Å; F288-M343 HydrophobicContact CB-CG 4.44Å; F288-M343 HydrophobicContact CD1-CB 4.3Å; F288-M343 HydrophobicContact CD1-CG 3.84Å; F288-M343 HydrophobicContact CD2-CB 4.07Å; F288-M343 HydrophobicContact CD2-CG 3.99Å; F288-M343 HydrophobicContact CE1-CB 3.99Å; F288-M343 HydrophobicContact CE1-CG 4.01Å; F288-M343 HydrophobicContact CE2-CB 3.75Å; F288-M343 HydrophobicContact CE2-CG 4.16Å; F288-M343 HydrophobicContact CG-CB 4.34Å; F288-M343 HydrophobicContact CG-CG 3.82Å; F288-M343 HydrophobicContact CZ-CB 3.7Å; F288-M343 HydrophobicContact CZ-CG 4.17Å
289	Q	94.3	Very high	91.4	Very high	82 Å²	82	55.6 Å²	55.6	38%	0.383	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	141.6	168.3	51	169	76.4	0	0	111.6	V274 Y275 K286	V274-Q289 VanDerWaalsContact O-CA 3.24Å; V274-Q289 WeakPolarHBondContact O-CA 3.31Å; Y275-Q289 HydrophobicContact CD1-CB 3.75Å; Y275-Q289 HydrophobicContact CE1-CB 4.02Å; K286-Q289 HydrophobicContact CD-CB 4.48Å; K286-Q289 HydrophobicContact CD-CG 4.41Å
290	A	95.5	Very high	91.9	Very high	13 Å²	13	53 Å²	53	11%	0.107	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	144.7	171.6	0	0	0	0	0	110.9	K273 V274 F288 Y335	K273-A290 CarbonylContact C-O 3.6Å; K273-A290 WeakPolarHBondContact CA-O 3.47Å; K273-A290 VanDerWaalsContact CG-O 3.29Å; K273-A290 WeakPolarHBondContact CG-O 3.28Å; V274-A290 HydrophobicContact CG2-CB 3.91Å; V274-A290 PolarHBondContact N-O 3.45Å; V274-A290 PolarHBondContact O-N 3.09Å; F288-A290 HydrophobicContact CE1-CB 3.71Å; F288-A290 HydrophobicContact CZ-CB 3.77Å; A290-Y335 HydrophobicContact CB-CE1 4.16Å
291	S	95.6	Very high	92.4	Very high	61 Å²	61	49.5 Å²	49.5	43%	0.427	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	148.3	179.7	-60.5	0	0	0	0	111.4
292	G	94.7	Very high	93.4	Very high	9 Å²	9	44.3 Å²	44.3	9%	0.093	25%	0.253	C	S	.	.			trans	-66.2	151.8	174.4	0	0	0	0	0	112.5	V271 G272 F299	V271-G292 WeakPolarHBondContact O-CA 3.3Å; G272-G292 PolarHBondContact O-N 3.37Å; G292-F299 VanDerWaalsContact CA-CG 3.47Å; G292-F299 VanDerWaalsContact N-CD1 3.31Å
293	K	93.3	Very high	94.3	Very high	147 Å²	147	43 Å²	43	64%	0.639	24%	0.236	S	C	*	.	S	Bend	trans	-90.9	-6.6	-174.5	-66.9	175	178.4	172.9	0	114.2	E345	K293-E345 WeakPolarHBondContact CE-OE2 3.06Å; K293-E345 IonicContact NZ-OE1 3.59Å; K293-E345 PolarHBondContact NZ-OE1 2.77Å; K293-E345 IonicContact NZ-OE2 3.92Å; K293-E345 PolarHBondContact NZ-OE2 3.25Å
294	M	94.1	Very high	94.9	Very high	55 Å²	55	41.5 Å²	41.5	27%	0.271	23%	0.225	S	C	.	.	S	Bend	trans	-141.4	129.8	-171.3	176.5	-176.7	-75.7	0	0	110.8	S297 H323 S324	M294-S297 WeakPolarHBondContact O-CB 3.3Å; M294-S297 PolarHBondContact O-N 3.2Å; M294-S297 PolarHBondContact O-OG 3.1Å; M294-H323 HydrophobicContact SD-CB 4.49Å; M294-S324 WeakPolarHBondContact CE-O 3.46Å; M294-S324 PolarHBondContact SD-N 2.59Å; M294-S324 VanDerWaalsContact SD-N 3.35Å
295	M	94.4	Very high	95.2	Very high	154 Å²	154	42.1 Å²	42.1	76%	0.759	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	139.1	174.8	-170.4	177.8	-179.3	0	0	110.6	G270 V271 S297	G270-M295 CarbonylContact O-C 3.55Å; G270-M295 WeakPolarHBondContact O-CA 3.4Å; G270-M295 WeakPolarHBondContact O-CG 2.99Å; V271-M295 HydrophobicContact CG1-CB 4.23Å; M295-S297 PolarHBondContact O-N 2.99Å
296	G	93.3	Very high	95.5	Very high	46 Å²	46	39.3 Å²	39.3	47%	0.474	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-15.2	-176	0	0	0	0	0	114.8	G270 Y298 M322	G270-G296 PolarHBondContact O-N 2.85Å; G296-Y298 PolarHBondContact O-N 2.84Å; G296-M322 VanDerWaalsContact O-CB 3.3Å; G296-M322 WeakPolarHBondContact O-CB 3.4Å
297	S	95.8	Very high	95.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.014	21%	0.209	C	C	.	.	S	Bend	trans	-65.5	-11.1	-172.6	67.1	0	0	0	0	116.2	M294 M295 F299 A320 M322	M294-S297 WeakPolarHBondContact O-CB 3.3Å; M294-S297 PolarHBondContact O-N 3.2Å; M294-S297 PolarHBondContact O-OG 3.1Å; M295-S297 PolarHBondContact O-N 2.99Å; S297-F299 VanDerWaalsContact C-N 3.25Å; S297-F299 PolarHBondContact O-N 2.98Å; S297-A320 CarbonylContact O-C 3.49Å; S297-A320 VanDerWaalsContact O-C 3.24Å; S297-A320 VanDerWaalsContact O-CA 3.27Å; S297-A320 WeakPolarHBondContact O-CA 3.5Å; S297-A320 WeakPolarHBondContact O-CB 3.23Å; S297-M322 PolarHBondContact O-N 3.09Å
298	Y	97	Very high	96	Very high	24 Å²	24	35.2 Å²	35.2	9%	0.094	20%	0.195	C	C	.	.			trans	62	29.4	177.2	-144.6	-125	0	0	0	113.7	Y246 P266 Q267 G296 G300 S301 M322	Y246-Y298 HydrophobicContact CD1-CE1 4.48Å; Y246-Y298 AromaticContact CE1-CE1 3.87Å; Y246-Y298 HydrophobicContact CE1-CE1 3.87Å; Y246-Y298 WeakPolarHBondContact CE2-OH 3.37Å; Y246-Y298 AromaticContact CZ-CE1 3.91Å; P266-Y298 HydrophobicContact CB-CD1 4.09Å; P266-Y298 HydrophobicContact CB-CD2 3.72Å; P266-Y298 HydrophobicContact CB-CE1 4.14Å; P266-Y298 HydrophobicContact CB-CE2 3.78Å; P266-Y298 HydrophobicContact CB-CG 3.84Å; P266-Y298 VanDerWaalsContact CB-O 3.32Å; P266-Y298 WeakPolarHBondContact CB-O 3.25Å; P266-Y298 HydrophobicContact CG-CD1 4.5Å; P266-Y298 HydrophobicContact CG-CD2 4.31Å; P266-Y298 HydrophobicContact CG-CE1 4.05Å; P266-Y298 HydrophobicContact CG-CE2 3.84Å; Q267-Y298 HydrophobicContact CG-CE2 3.98Å; G296-Y298 PolarHBondContact O-N 2.84Å; Y298-G300 PolarHBondContact O-N 2.98Å; Y298-S301 WeakPolarHBondContact O-CB 3.23Å; Y298-S301 PolarHBondContact O-N 3.21Å; Y298-S301 VanDerWaalsContact O-N 3.11Å; Y298-M322 HydrophobicContact CD1-CE 4.2Å; Y298-M322 HydrophobicContact CG-CE 4.35Å; Y298-M322 HydrophobicContact CG-SD 4.13Å
299	F	98.3	Very high	96.1	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.026	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-55.7	121.5	-177.8	176.4	-90.5	0	0	0	113	P266 G272 K273 V274 G292 S297 V318 G319 A320 Y335	P266-F299 WeakPolarHBondContact CA-O 3.23Å; G272-F299 CarbonylContact C-O 3.28Å; G272-F299 VanDerWaalsContact CA-O 3.27Å; G272-F299 WeakPolarHBondContact CA-O 3.31Å; K273-F299 PolarHBondContact N-O 3.15Å; V274-F299 HydrophobicContact CG1-CD1 4.45Å; V274-F299 HydrophobicContact CG1-CE1 4Å; V274-F299 HydrophobicContact CG2-CE1 4.12Å; V274-F299 HydrophobicContact CG2-CZ 4.48Å; G292-F299 VanDerWaalsContact CA-CG 3.47Å; G292-F299 VanDerWaalsContact N-CD1 3.31Å; S297-F299 VanDerWaalsContact C-N 3.25Å; S297-F299 PolarHBondContact O-N 2.98Å; F299-V318 HydrophobicContact CD1-CG1 4.14Å; F299-V318 HydrophobicContact CD2-CG1 3.83Å; F299-V318 HydrophobicContact CE1-CG1 3.9Å; F299-V318 HydrophobicContact CE2-CB 3.97Å; F299-V318 HydrophobicContact CE2-CG1 3.56Å; F299-V318 HydrophobicContact CG-CG1 4.13Å; F299-V318 HydrophobicContact CZ-CB 4.08Å; F299-V318 HydrophobicContact CZ-CG1 3.61Å; F299-V318 HydrophobicContact CZ-CG2 4.4Å; F299-G319 WeakPolarHBondContact CA-O 3.41Å; F299-A320 HydrophobicContact CB-CB 4.07Å; F299-A320 HydrophobicContact CD2-CB 4.23Å; F299-Y335 HydrophobicContact CZ-CE2 4.1Å
300	G	97.7	Very high	96.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	96	18.8	-171.9	0	0	0	0	0	114	G264 Y298 G319	G264-G300 WeakPolarHBondContact CA-O 3.46Å; Y298-G300 PolarHBondContact O-N 2.98Å; G300-G319 PolarHBondContact N-O 2.93Å
301	S	97.3	Very high	96	Very high	11 Å²	11	39.7 Å²	39.7	8%	0.077	22%	0.217	C	C	.	.	S	Bend	trans	-76	-24.2	173.5	68	0	0	0	0	113.6	A247 Y298 P321	A247-S301 WeakPolarHBondContact CB-O 3.3Å; Y298-S301 WeakPolarHBondContact O-CB 3.23Å; Y298-S301 PolarHBondContact O-N 3.21Å; Y298-S301 VanDerWaalsContact O-N 3.11Å; S301-P321 WeakPolarHBondContact OG-CD 3.41Å; S301-P321 WeakPolarHBondContact OG-CG 3.37Å
302	S	98.3	Very high	95.9	Very high	11 Å²	11	38.3 Å²	38.3	8%	0.077	21%	0.212	C	C	.	.	S	Bend	trans	-140.4	149.9	175.3	70.4	0	0	0	0	109	G319 G360 I363	S302-G319 PolarHBondContact O-N 3.46Å; S302-G319 WeakPolarHBondContact OG-CA 3.33Å; S302-G360 PolarHBondContact OG-O 3.45Å; S302-I363 WeakPolarHBondContact OG-CD1 3Å
303	L	98.4	Very high	96	Very high	17 Å²	17	38.8 Å²	38.8	9%	0.089	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	141.5	-178.6	-61.5	175.4	0	0	0	110.1	A247 T249 A262 V274 L316 L317 V318	A247-L303 HydrophobicContact CB-CD1 4.31Å; A247-L303 HydrophobicContact CB-CG 4.07Å; T249-L303 HydrophobicContact CG2-CB 3.63Å; T249-L303 HydrophobicContact CG2-CD1 4.35Å; A262-L303 HydrophobicContact CB-CD1 4.39Å; V274-L303 HydrophobicContact CG1-CD2 3.72Å; L303-L316 HydrophobicContact CB-CD1 4.48Å; L303-L316 HydrophobicContact CD2-CD1 4.32Å; L303-L317 WeakPolarHBondContact CA-O 3.41Å; L303-V318 HydrophobicContact CD2-CB 4.26Å; L303-V318 HydrophobicContact CD2-CG1 4.01Å; L303-V318 HydrophobicContact CD2-CG2 3.9Å
304	C	97.8	Very high	96.1	Very high	9 Å²	9	32.4 Å²	32.4	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	140.4	169	-168.6	0	0	0	0	110.7	L317 I363 A365	C304-L317 HydrophobicContact CB-CB 4.29Å; C304-L317 PolarHBondContact N-O 2.98Å; C304-L317 PolarHBondContact O-N 2.89Å; C304-I363 HydrophobicContact CB-CB 3.96Å; C304-I363 HydrophobicContact CB-CG2 3.42Å; C304-I363 VanDerWaalsContact CB-CG2 3.42Å; C304-A365 PolarHBondContact SG-N 2.76Å
305	A	96.9	Very high	96.3	Very high	14 Å²	14	29.8 Å²	29.8	12%	0.116	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.9	176.6	0	0	0	0	0	108.7	T249 A250 F253 D315	T249-A305 HydrophobicContact CG2-CB 3.91Å; T249-A305 WeakPolarHBondContact OG1-CB 3.32Å; A250-A305 WeakPolarHBondContact O-CB 3.47Å; F253-A305 HydrophobicContact CE2-CB 4.37Å; F253-A305 HydrophobicContact CZ-CB 3.69Å; A305-D315 WeakPolarHBondContact CA-O 3.49Å
306	V	96.5	Very high	96.5	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.024	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	138.7	-171	49.2	0	0	0	0	110.4	L308 D315 L317 A365 Q375 V377	V306-L308 HydrophobicContact CB-CD2 4.4Å; V306-L308 HydrophobicContact CG1-CD2 3.61Å; V306-L308 HydrophobicContact CG1-CG 3.98Å; V306-L308 HydrophobicContact CG2-CD2 3.94Å; V306-L308 HydrophobicContact CG2-CG 4.5Å; V306-L308 PolarHBondContact O-N 2.64Å; V306-D315 PolarHBondContact N-O 3.04Å; V306-D315 VanDerWaalsContact N-O 3.15Å; V306-D315 WeakPolarHBondContact O-CA 3.15Å; V306-D315 VanDerWaalsContact O-CB 3.3Å; V306-D315 WeakPolarHBondContact O-CB 3.41Å; V306-D315 PolarHBondContact O-N 2.81Å; V306-L317 HydrophobicContact CG1-CD1 3.5Å; V306-L317 VanDerWaalsContact CG1-CD1 3.5Å; V306-A365 HydrophobicContact CB-CB 3.79Å; V306-A365 HydrophobicContact CG1-CB 4.4Å; V306-A365 HydrophobicContact CG2-CB 3.84Å; V306-Q375 HydrophobicContact CG2-CB 3.37Å; V306-Q375 HydrophobicContact CG2-CG 4.03Å; V306-V377 HydrophobicContact CG1-CG1 3.89Å
307	D	96.7	Very high	96.7	Very high	37 Å²	37	20.2 Å²	20.2	20%	0.198	12%	0.115	C	C	.	.			trans	-80.6	100.6	171.4	-177.6	-8.4	0	0	0	108.7	N309 Q310 D311 G312 L313 Q375	D307-N309 PolarHBondContact OD1-OD1 2.77Å; D307-Q310 WeakPolarHBondContact OD1-CA 3.32Å; D307-Q310 PolarHBondContact OD1-N 3.39Å; D307-D311 PolarHBondContact OD1-N 2.81Å; D307-D311 PolarHBondContact OD2-N 3.49Å; D307-G312 VanDerWaalsContact OD2-CA 3.32Å; D307-G312 WeakPolarHBondContact OD2-CA 3.23Å; D307-G312 PolarHBondContact OD2-N 3.28Å; D307-L313 WeakPolarHBondContact CA-O 3.26Å; D307-L313 WeakPolarHBondContact CB-O 3.43Å; D307-L313 VanDerWaalsContact CG-O 3.23Å; D307-Q375 VanDerWaalsContact O-CB 3.3Å; D307-Q375 WeakPolarHBondContact O-CB 3.41Å; D307-Q375 VanDerWaalsContact O-CG 3.3Å; D307-Q375 WeakPolarHBondContact O-CG 3.37Å
308	L	96.4	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-86.8	-29.4	-173.2	-58.3	165.1	0	0	0	112.3	V306 D315 L317 V334 L336 Y374 V377 G400 I401	V306-L308 HydrophobicContact CB-CD2 4.4Å; V306-L308 HydrophobicContact CG1-CD2 3.61Å; V306-L308 HydrophobicContact CG1-CG 3.98Å; V306-L308 HydrophobicContact CG2-CD2 3.94Å; V306-L308 HydrophobicContact CG2-CG 4.5Å; V306-L308 PolarHBondContact O-N 2.64Å; L308-D315 VanDerWaalsContact CB-OD2 3.22Å; L308-D315 WeakPolarHBondContact CB-OD2 3.5Å; L308-D315 HydrophobicContact CD1-CB 3.76Å; L308-D315 HydrophobicContact CG-CB 4.11Å; L308-D315 WeakPolarHBondContact CG-OD2 3.47Å; L308-D315 PolarHBondContact N-OD2 2.8Å; L308-L317 HydrophobicContact CD1-CD1 4.07Å; L308-L317 HydrophobicContact CD2-CD1 4.45Å; L308-V334 HydrophobicContact CD1-CG1 4.04Å; L308-L336 HydrophobicContact CD1-CD2 4.2Å; L308-Y374 WeakPolarHBondContact O-CD1 3.18Å; L308-V377 HydrophobicContact CD2-CG1 3.95Å; L308-G400 VanDerWaalsContact CB-O 3.3Å; L308-G400 WeakPolarHBondContact CB-O 3.36Å; L308-I401 HydrophobicContact CD1-CB 4.28Å; L308-I401 HydrophobicContact CD2-CD1 4.28Å
309	N	95	Very high	96.9	Very high	26 Å²	26	19 Å²	19	14%	0.139	11%	0.11	C	C	.	.	S	Bend	trans	-104.3	3.8	-175.9	66.1	-32.1	0	0	0	114.3	D307 D311 Y374 D397	D307-N309 PolarHBondContact OD1-OD1 2.77Å; N309-D311 PolarHBondContact ND2-OD2 2.89Å; N309-Y374 WeakPolarHBondContact O-CE1 3.4Å; N309-D397 WeakPolarHBondContact CA-O 3.33Å
310	Q	95.2	Very high	96.9	Very high	128 Å²	128	18.9 Å²	18.9	60%	0.598	11%	0.11	S	C	*	.	S	Bend	trans	60.5	37.6	-179.4	-152.4	-169	70.5	0	0	113.7	D307 G373 Y374	D307-Q310 WeakPolarHBondContact OD1-CA 3.32Å; D307-Q310 PolarHBondContact OD1-N 3.39Å; Q310-G373 PolarHBondContact NE2-O 3.34Å; Q310-Y374 HydrophobicContact CB-CD1 4.01Å; Q310-Y374 HydrophobicContact CB-CE1 4.02Å
311	D	94.3	Very high	96.9	Very high	73 Å²	73	18.9 Å²	18.9	39%	0.39	11%	0.11	S	C	.	.	S	Bend	trans	-95.3	-4.9	179.2	84.6	23.6	0	0	0	115	D307 N309 L313	D307-D311 PolarHBondContact OD1-N 2.81Å; D307-D311 PolarHBondContact OD2-N 3.49Å; N309-D311 PolarHBondContact ND2-OD2 2.89Å; D311-L313 VanDerWaalsContact OD1-CB 3.22Å; D311-L313 WeakPolarHBondContact OD1-CB 3.49Å; D311-L313 WeakPolarHBondContact OD1-CG 3.36Å; D311-L313 PolarHBondContact OD1-N 2.84Å
312	G	93.8	Very high	96.8	Very high	31 Å²	31	21.6 Å²	21.6	32%	0.32	12%	0.122	S	C	.	.	S	Bend	trans	89.3	-1.2	179.5	0	0	0	0	0	114.4	P256 D307	P256-G312 WeakPolarHBondContact CB-O 3.24Å; P256-G312 WeakPolarHBondContact CG-O 3.37Å; D307-G312 VanDerWaalsContact OD2-CA 3.32Å; D307-G312 WeakPolarHBondContact OD2-CA 3.23Å; D307-G312 PolarHBondContact OD2-N 3.28Å
313	L	95.9	Very high	96.7	Very high	20 Å²	20	22.1 Å²	22.1	11%	0.105	12%	0.123	C	C	.	.	S	Bend	trans	-97.7	161.3	167.1	-58.8	166.8	0	0	0	110.3	H252 P256 D307 D311	H252-L313 WeakPolarHBondContact O-CA 3.43Å; H252-L313 WeakPolarHBondContact O-CB 3.01Å; H252-L313 WeakPolarHBondContact O-CD2 3.37Å; P256-L313 HydrophobicContact CG-CD2 4.15Å; D307-L313 WeakPolarHBondContact CA-O 3.26Å; D307-L313 WeakPolarHBondContact CB-O 3.43Å; D307-L313 VanDerWaalsContact CG-O 3.23Å; D311-L313 VanDerWaalsContact OD1-CB 3.22Å; D311-L313 WeakPolarHBondContact OD1-CB 3.49Å; D311-L313 WeakPolarHBondContact OD1-CG 3.36Å; D311-L313 PolarHBondContact OD1-N 2.84Å
314	S	96.1	Very high	96.5	Very high	12 Å²	12	23.3 Å²	23.3	8%	0.084	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-97.2	131.3	170.2	-57.4	0	0	0	0	110.9	H252 F253 S337	H252-S314 PolarHBondContact N-OG 2.84Å; H252-S314 PolarHBondContact O-N 2.92Å; F253-S314 WeakPolarHBondContact CD1-O 3.24Å; F253-S314 VanDerWaalsContact CE1-O 3.24Å; F253-S314 WeakPolarHBondContact CE1-O 3.23Å; S314-S337 WeakPolarHBondContact O-CB 3.07Å
315	D	97.4	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	160	166.3	-54.3	-47.1	0	0	0	110.5	A305 V306 L308 Y335 L336 S337	A305-D315 WeakPolarHBondContact CA-O 3.49Å; V306-D315 PolarHBondContact N-O 3.04Å; V306-D315 VanDerWaalsContact N-O 3.15Å; V306-D315 WeakPolarHBondContact O-CA 3.15Å; V306-D315 VanDerWaalsContact O-CB 3.3Å; V306-D315 WeakPolarHBondContact O-CB 3.41Å; V306-D315 PolarHBondContact O-N 2.81Å; L308-D315 VanDerWaalsContact CB-OD2 3.22Å; L308-D315 WeakPolarHBondContact CB-OD2 3.5Å; L308-D315 HydrophobicContact CD1-CB 3.76Å; L308-D315 HydrophobicContact CG-CB 4.11Å; L308-D315 WeakPolarHBondContact CG-OD2 3.47Å; L308-D315 PolarHBondContact N-OD2 2.8Å; D315-Y335 WeakPolarHBondContact CB-O 3.4Å; D315-L336 HydrophobicContact CB-CD2 4.06Å; D315-L336 WeakPolarHBondContact OD1-CA 3.41Å; D315-L336 WeakPolarHBondContact OD1-CD2 3.46Å; D315-L336 WeakPolarHBondContact OD2-CD2 3.3Å; D315-S337 PolarHBondContact OD1-N 2.64Å
316	L	98.1	Very high	95.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.1	-179.3	-175.5	69.6	0	0	0	111	T249 F253 A262 V274 I276 L303 V318 Y335 M343	T249-L316 HydrophobicContact CG2-CD1 3.97Å; F253-L316 HydrophobicContact CE1-CB 3.79Å; F253-L316 HydrophobicContact CE1-CD1 4.33Å; F253-L316 HydrophobicContact CZ-CB 4.26Å; F253-L316 HydrophobicContact CZ-CD1 3.92Å; A262-L316 HydrophobicContact CB-CD1 3.89Å; V274-L316 HydrophobicContact CG2-CD2 4.37Å; I276-L316 HydrophobicContact CD1-CD2 4.21Å; I276-L316 HydrophobicContact CG1-CD2 4.37Å; L303-L316 HydrophobicContact CB-CD1 4.48Å; L303-L316 HydrophobicContact CD2-CD1 4.32Å; L316-V318 HydrophobicContact CD2-CG2 3.89Å; L316-V318 HydrophobicContact CG-CG2 3.88Å; L316-Y335 PolarHBondContact N-O 3Å; L316-Y335 PolarHBondContact O-N 3.17Å; L316-M343 HydrophobicContact CB-CE 3.97Å
317	L	98.5	Very high	94.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.1	165.4	-65.9	84.6	0	0	0	109.7	L303 C304 V306 L308 V332 S333 V334 L349 I363 V377 I401	L303-L317 WeakPolarHBondContact CA-O 3.41Å; C304-L317 HydrophobicContact CB-CB 4.29Å; C304-L317 PolarHBondContact N-O 2.98Å; C304-L317 PolarHBondContact O-N 2.89Å; V306-L317 HydrophobicContact CG1-CD1 3.5Å; V306-L317 VanDerWaalsContact CG1-CD1 3.5Å; L308-L317 HydrophobicContact CD1-CD1 4.07Å; L308-L317 HydrophobicContact CD2-CD1 4.45Å; L317-V332 HydrophobicContact CB-CG1 3.94Å; L317-V332 HydrophobicContact CD2-CG1 4.15Å; L317-V332 HydrophobicContact CG-CG1 4.45Å; L317-S333 WeakPolarHBondContact CA-O 3.49Å; L317-V334 HydrophobicContact CD2-CG2 4.47Å; L317-V334 HydrophobicContact CG-CG2 4.36Å; L317-L349 HydrophobicContact CD2-CD1 4.3Å; L317-I363 HydrophobicContact CB-CD1 4.17Å; L317-I363 HydrophobicContact CB-CG2 4.2Å; L317-I363 HydrophobicContact CD2-CG2 4.16Å; L317-V377 HydrophobicContact CD1-CG1 4.35Å; L317-V377 HydrophobicContact CD2-CB 4.4Å; L317-V377 HydrophobicContact CD2-CG1 4.26Å; L317-V377 HydrophobicContact CD2-CG2 3.93Å; L317-I401 HydrophobicContact CD2-CD1 4.46Å
318	V	98.8	Very high	94.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.4	-176.9	-175.3	0	0	0	0	110.6	V274 F299 L303 L316 V332 S333 Y335	V274-V318 HydrophobicContact CG1-CB 4.43Å; V274-V318 HydrophobicContact CG1-CG1 3.52Å; V274-V318 HydrophobicContact CG1-CG2 4Å; V274-V318 HydrophobicContact CG2-CG2 4.24Å; F299-V318 HydrophobicContact CD1-CG1 4.14Å; F299-V318 HydrophobicContact CD2-CG1 3.83Å; F299-V318 HydrophobicContact CE1-CG1 3.9Å; F299-V318 HydrophobicContact CE2-CB 3.97Å; F299-V318 HydrophobicContact CE2-CG1 3.56Å; F299-V318 HydrophobicContact CG-CG1 4.13Å; F299-V318 HydrophobicContact CZ-CB 4.08Å; F299-V318 HydrophobicContact CZ-CG1 3.61Å; F299-V318 HydrophobicContact CZ-CG2 4.4Å; L303-V318 HydrophobicContact CD2-CB 4.26Å; L303-V318 HydrophobicContact CD2-CG1 4.01Å; L303-V318 HydrophobicContact CD2-CG2 3.9Å; L316-V318 HydrophobicContact CD2-CG2 3.89Å; L316-V318 HydrophobicContact CG-CG2 3.88Å; V318-V332 CarbonylContact O-C 3.56Å; V318-V332 WeakPolarHBondContact O-CA 3.4Å; V318-S333 PolarHBondContact N-O 3.42Å; V318-S333 PolarHBondContact O-N 2.84Å; V318-Y335 HydrophobicContact CB-CE2 4.45Å; V318-Y335 HydrophobicContact CG2-CD2 3.97Å; V318-Y335 HydrophobicContact CG2-CE2 3.9Å
319	G	98.3	Very high	94.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	144.6	177.7	0	0	0	0	0	114.1	F299 G300 S302	F299-G319 WeakPolarHBondContact CA-O 3.41Å; G300-G319 PolarHBondContact N-O 2.93Å; S302-G319 PolarHBondContact O-N 3.46Å; S302-G319 WeakPolarHBondContact OG-CA 3.33Å
320	A	97.9	Very high	94.4	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	72.5	171.7	0	0	0	0	0	108.9	S297 F299 M322 H323 G330 Q331	S297-A320 CarbonylContact O-C 3.49Å; S297-A320 VanDerWaalsContact O-C 3.24Å; S297-A320 VanDerWaalsContact O-CA 3.27Å; S297-A320 WeakPolarHBondContact O-CA 3.5Å; S297-A320 WeakPolarHBondContact O-CB 3.23Å; F299-A320 HydrophobicContact CB-CB 4.07Å; F299-A320 HydrophobicContact CD2-CB 4.23Å; A320-M322 PolarHBondContact O-N 2.04Å; A320-H323 HydrophobicContact CB-CB 4.31Å; A320-H323 WeakPolarHBondContact O-CB 3.09Å; A320-H323 PolarHBondContact O-N 2.87Å; A320-G330 WeakPolarHBondContact O-CA 3.17Å; A320-Q331 PolarHBondContact N-O 2.84Å; A320-Q331 PolarHBondContact O-N 2.92Å; A320-Q331 VanDerWaalsContact O-N 3.08Å
321	P	97.3	Very high	94.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18	-170	27	-35.4	0	0	0	114.2	S301 H323 G330 H358 E361	S301-P321 WeakPolarHBondContact OG-CD 3.41Å; S301-P321 WeakPolarHBondContact OG-CG 3.37Å; P321-H323 VanDerWaalsContact C-N 3.35Å; P321-G330 WeakPolarHBondContact O-CA 3.32Å; P321-H358 HydrophobicContact CB-CB 4.12Å; P321-E361 HydrophobicContact CB-CB 4.24Å; P321-E361 WeakPolarHBondContact CB-OE2 3.28Å
322	M	96.2	Very high	94.7	Very high	68 Å²	68	33.3 Å²	33.3	34%	0.335	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	14	175	-60	175.1	-168.3	0	0	111.9	G296 S297 Y298 A320 S324	G296-M322 VanDerWaalsContact O-CB 3.3Å; G296-M322 WeakPolarHBondContact O-CB 3.4Å; S297-M322 PolarHBondContact O-N 3.09Å; Y298-M322 HydrophobicContact CD1-CE 4.2Å; Y298-M322 HydrophobicContact CG-CE 4.35Å; Y298-M322 HydrophobicContact CG-SD 4.13Å; A320-M322 PolarHBondContact O-N 2.04Å; M322-S324 PolarHBondContact O-N 3.25Å
323	H	95.9	Very high	94.9	Very high	22 Å²	22	32 Å²	32	10%	0.102	16%	0.159	C	C	.	.			trans	-62.3	122.2	170.5	-174.4	103.2	0	0	0	109.4	M294 A320 P321 E329 G330 Q331	M294-H323 HydrophobicContact SD-CB 4.49Å; A320-H323 HydrophobicContact CB-CB 4.31Å; A320-H323 WeakPolarHBondContact O-CB 3.09Å; A320-H323 PolarHBondContact O-N 2.87Å; P321-H323 VanDerWaalsContact C-N 3.35Å; H323-E329 PolarHBondContact O-N 2.86Å; H323-G330 PolarHBondContact O-N 3.21Å; H323-Q331 HydrophobicContact CB-CB 3.69Å; H323-Q331 PolarHBondContact CE1-NE2 2.91Å; H323-Q331 PolarHBondContact CE1-OE1 2.77Å; H323-Q331 VanDerWaalsContact CE1-OE1 3.23Å; H323-Q331 PolarHBondContact ND1-OE1 3.42Å; H323-Q331 PolarHBondContact NE2-NE2 3.39Å
324	S	92.6	Very high	95	Very high	42 Å²	42	31.2 Å²	31.2	29%	0.294	16%	0.155	S	C	.	.			trans	-115.9	118.4	-173.1	-78	0	0	0	0	111.6	M294 M322 D328 E329	M294-S324 WeakPolarHBondContact CE-O 3.46Å; M294-S324 PolarHBondContact SD-N 2.59Å; M294-S324 VanDerWaalsContact SD-N 3.35Å; M322-S324 PolarHBondContact O-N 3.25Å; S324-D328 PolarHBondContact OG-N 3.21Å; S324-D328 PolarHBondContact OG-OD1 3.16Å; S324-E329 WeakPolarHBondContact CA-OE2 3.48Å
325	Q	85.8	Confident	95	Very high	128 Å²	128	31.2 Å²	31.2	60%	0.598	15%	0.153	S	C	*	.	S	Bend	trans	-91.7	-45.2	161.8	-64.3	-171.8	13.3	0	0	110.6	E329	Q325-E329 PolarHBondContact N-OE2 3.28Å
326	L	83.3	Confident	95	Very high	164 Å²	164	31.4 Å²	31.4	86%	0.859	15%	0.154	S	C	*	.	S	Bend	trans	-116.8	-51.5	166	-68.6	144	0	0	0	109.8	E329	L326-E329 WeakPolarHBondContact CA-OE1 3.35Å; L326-E329 VanDerWaalsContact CB-OE1 3.31Å; L326-E329 WeakPolarHBondContact CB-OE1 3.45Å; L326-E329 PolarHBondContact N-OE1 2.91Å
327	R	84.8	Confident	94.9	Very high	136 Å²	136	31.4 Å²	31.4	51%	0.513	15%	0.154	S	C	.	.	S	Bend	trans	-167.8	107.3	176.7	-171.6	158.4	169.5	-165.9	-4.3	113.7	E329 F355 N356	R327-E329 VanDerWaalsContact C-N 3.26Å; R327-E329 PolarHBondContact N-OE1 3.47Å; R327-E329 PolarHBondContact N-OE2 2.96Å; R327-E329 PolarHBondContact O-N 3.22Å; R327-E329 VanDerWaalsContact O-N 3.15Å; R327-F355 HydrophobicContact CB-CD2 4.08Å; R327-F355 HydrophobicContact CB-CE2 3.87Å; R327-F355 HydrophobicContact CG-CE2 4.11Å; R327-F355 HydrophobicContact CG-CZ 4.38Å; R327-N356 PolarHBondContact O-N 3.49Å
328	D	90.6	Very high	94.7	Very high	40 Å²	40	37 Å²	37	21%	0.214	18%	0.175	C	C	.	.			trans	49.6	39.6	164.3	-53.5	-53.6	0	0	0	114.6	S324 G330 N356 A357 H358	S324-D328 PolarHBondContact OG-N 3.21Å; S324-D328 PolarHBondContact OG-OD1 3.16Å; D328-G330 VanDerWaalsContact C-N 3.32Å; D328-N356 CarbonylContact O-C 3.46Å; D328-N356 VanDerWaalsContact O-C 3.24Å; D328-N356 VanDerWaalsContact O-CA 3.24Å; D328-N356 WeakPolarHBondContact O-CA 3.43Å; D328-A357 PolarHBondContact O-N 2.03Å; D328-A357 VanDerWaalsContact O-N 3.12Å; D328-H358 PolarHBondContact O-N 3.44Å
329	E	95.1	Very high	94.4	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.037	18%	0.179	C	C	.	.			trans	-65	-40.1	175	-59.3	81.5	-178	0	0	110.9	H323 S324 Q325 L326 R327 S353 F359	H323-E329 PolarHBondContact O-N 2.86Å; S324-E329 WeakPolarHBondContact CA-OE2 3.48Å; Q325-E329 PolarHBondContact N-OE2 3.28Å; L326-E329 WeakPolarHBondContact CA-OE1 3.35Å; L326-E329 VanDerWaalsContact CB-OE1 3.31Å; L326-E329 WeakPolarHBondContact CB-OE1 3.45Å; L326-E329 PolarHBondContact N-OE1 2.91Å; R327-E329 VanDerWaalsContact C-N 3.26Å; R327-E329 PolarHBondContact N-OE1 3.47Å; R327-E329 PolarHBondContact N-OE2 2.96Å; R327-E329 PolarHBondContact O-N 3.22Å; R327-E329 VanDerWaalsContact O-N 3.15Å; E329-S353 WeakPolarHBondContact CG-O 3.19Å; E329-F359 WeakPolarHBondContact O-CB 3.13Å; E329-F359 PolarHBondContact O-N 2.8Å
330	G	96.6	Very high	93.8	Very high	4 Å²	4	44.1 Å²	44.1	4%	0.041	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	90.5	159.7	-177.9	0	0	0	0	0	114.3	A320 P321 H323 D328 F359	A320-G330 WeakPolarHBondContact O-CA 3.17Å; P321-G330 WeakPolarHBondContact O-CA 3.32Å; H323-G330 PolarHBondContact O-N 3.21Å; D328-G330 VanDerWaalsContact C-N 3.32Å; G330-F359 CarbonylContact C-O 3.15Å; G330-F359 VanDerWaalsContact CA-O 3.27Å; G330-F359 WeakPolarHBondContact CA-O 3.12Å
331	Q	96.7	Very high	92.9	Very high	21 Å²	21	44.4 Å²	44.4	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	151.3	-176.9	-178.1	166.5	96.7	0	0	110.7	A320 H323 V348 F359	A320-Q331 PolarHBondContact N-O 2.84Å; A320-Q331 PolarHBondContact O-N 2.92Å; A320-Q331 VanDerWaalsContact O-N 3.08Å; H323-Q331 HydrophobicContact CB-CB 3.69Å; H323-Q331 PolarHBondContact CE1-NE2 2.91Å; H323-Q331 PolarHBondContact CE1-OE1 2.77Å; H323-Q331 VanDerWaalsContact CE1-OE1 3.23Å; H323-Q331 PolarHBondContact ND1-OE1 3.42Å; H323-Q331 PolarHBondContact NE2-NE2 3.39Å; Q331-V348 HydrophobicContact CG-CB 3.98Å; Q331-V348 HydrophobicContact CG-CG1 4.09Å; Q331-F359 PolarHBondContact N-O 3.05Å; Q331-F359 VanDerWaalsContact N-O 3.1Å
332	V	98.3	Very high	92.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.3	167.5	175.2	0	0	0	0	109.5	L317 V318 V348 L349 F359 I363 I379	L317-V332 HydrophobicContact CB-CG1 3.94Å; L317-V332 HydrophobicContact CD2-CG1 4.15Å; L317-V332 HydrophobicContact CG-CG1 4.45Å; V318-V332 CarbonylContact O-C 3.56Å; V318-V332 WeakPolarHBondContact O-CA 3.4Å; V332-V348 CarbonylContact O-C 3.13Å; V332-V348 VanDerWaalsContact O-CA 3.24Å; V332-V348 WeakPolarHBondContact O-CA 3.47Å; V332-L349 HydrophobicContact CB-CB 4.39Å; V332-L349 PolarHBondContact N-O 2.9Å; V332-L349 VanDerWaalsContact N-O 3.11Å; V332-L349 PolarHBondContact O-N 3.13Å; V332-F359 HydrophobicContact CB-CE1 4.16Å; V332-F359 HydrophobicContact CG2-CD1 4.2Å; V332-F359 HydrophobicContact CG2-CE1 3.78Å; V332-I363 HydrophobicContact CB-CD1 4.44Å; V332-I363 HydrophobicContact CG1-CD1 3.73Å; V332-I363 HydrophobicContact CG2-CD1 3.79Å; V332-I363 HydrophobicContact CG2-CG1 4.23Å; V332-I379 HydrophobicContact CB-CD1 4.24Å; V332-I379 HydrophobicContact CG1-CD1 4.33Å; V332-I379 HydrophobicContact CG2-CD1 4.03Å; V332-I379 HydrophobicContact CG2-CG2 3.88Å
333	S	98.1	Very high	92.7	Very high	5 Å²	5	46 Å²	46	4%	0.035	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	142.2	170.8	-67.1	0	0	0	0	110.7	L317 V318	L317-S333 WeakPolarHBondContact CA-O 3.49Å; V318-S333 PolarHBondContact N-O 3.42Å; V318-S333 PolarHBondContact O-N 2.84Å
334	V	98.1	Very high	92.6	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.9	-179.6	-174.4	0	0	0	0	109.6	L308 L317 L336 N346 G347 L349 I401	L308-V334 HydrophobicContact CD1-CG1 4.04Å; L317-V334 HydrophobicContact CD2-CG2 4.47Å; L317-V334 HydrophobicContact CG-CG2 4.36Å; V334-L336 HydrophobicContact CG1-CD2 4.44Å; V334-N346 PolarHBondContact O-N 2.93Å; V334-G347 PolarHBondContact N-O 2.97Å; V334-L349 HydrophobicContact CG2-CD1 3.79Å; V334-L349 HydrophobicContact CG2-CD2 4.38Å; V334-L349 HydrophobicContact CG2-CG 3.78Å; V334-I401 HydrophobicContact CB-CG2 4.48Å; V334-I401 HydrophobicContact CG1-CG2 3.95Å; V334-I401 HydrophobicContact CG2-CG2 4.13Å
335	Y	97.8	Very high	92.8	Very high	12 Å²	12	51 Å²	51	5%	0.047	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	112.6	175.8	-62.7	-89.8	0	0	0	109.6	F288 A290 F299 D315 L316 V318 M343 E344 E345	F288-Y335 HydrophobicContact CZ-CD1 4.42Å; A290-Y335 HydrophobicContact CB-CE1 4.16Å; F299-Y335 HydrophobicContact CZ-CE2 4.1Å; D315-Y335 WeakPolarHBondContact CB-O 3.4Å; L316-Y335 PolarHBondContact N-O 3Å; L316-Y335 PolarHBondContact O-N 3.17Å; V318-Y335 HydrophobicContact CB-CE2 4.45Å; V318-Y335 HydrophobicContact CG2-CD2 3.97Å; V318-Y335 HydrophobicContact CG2-CE2 3.9Å; Y335-M343 WeakPolarHBondContact O-CE 3.46Å; Y335-E344 CarbonylContact C-O 3.52Å; Y335-E344 VanDerWaalsContact CA-O 3.27Å; Y335-E344 WeakPolarHBondContact CA-O 3.35Å; Y335-E345 HydrophobicContact CD1-CB 3.87Å; Y335-E345 HydrophobicContact CD1-CG 4.24Å; Y335-E345 HydrophobicContact CE1-CB 3.7Å; Y335-E345 HydrophobicContact CE1-CG 3.85Å
336	L	97.1	Very high	93.1	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	144.8	173.9	-62.2	-178.3	0	0	0	110.7	L308 D315 V334 M343 E344 N346	L308-L336 HydrophobicContact CD1-CD2 4.2Å; D315-L336 HydrophobicContact CB-CD2 4.06Å; D315-L336 WeakPolarHBondContact OD1-CA 3.41Å; D315-L336 WeakPolarHBondContact OD1-CD2 3.46Å; D315-L336 WeakPolarHBondContact OD2-CD2 3.3Å; V334-L336 HydrophobicContact CG1-CD2 4.44Å; L336-M343 CarbonylContact O-C 3.56Å; L336-M343 WeakPolarHBondContact O-CA 3.47Å; L336-E344 PolarHBondContact N-O 2.97Å; L336-E344 PolarHBondContact O-N 2.91Å; L336-N346 HydrophobicContact CD1-CB 3.98Å; L336-N346 WeakPolarHBondContact CD1-ND2 3.45Å; L336-N346 HydrophobicContact CG-CB 3.82Å
337	S	96.1	Very high	93.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	150.3	171.6	-169.5	0	0	0	0	111.9	F253 S314 D315 G339	F253-S337 PolarHBondContact O-OG 2.85Å; S314-S337 WeakPolarHBondContact O-CB 3.07Å; D315-S337 PolarHBondContact OD1-N 2.64Å; S337-G339 PolarHBondContact OG-N 3.48Å; S337-G339 VanDerWaalsContact OG-N 3.08Å
338	R	94.1	Very high	94.2	Very high	116 Å²	116	36.3 Å²	36.3	44%	0.438	19%	0.192	S	C	.	.			trans	-124.6	14.5	166.4	-57.7	-63.8	175.9	-134.2	6.8	111.6	V342 E344	R338-V342 HydrophobicContact CB-CB 4.16Å; R338-V342 HydrophobicContact CB-CG1 4.08Å; R338-V342 PolarHBondContact N-O 2.88Å; R338-E344 HydrophobicContact CG-CB 4.35Å; R338-E344 IonicContact CZ-OE2 3.87Å; R338-E344 IonicContact NE-OE2 3.95Å; R338-E344 PolarHBondContact NE-OE2 3.04Å; R338-E344 IonicContact NH2-OE2 2.66Å; R338-E344 PolarHBondContact NH2-OE2 2.7Å
339	G	91	Very high	94.5	Very high	8 Å²	8	34.4 Å²	34.4	8%	0.082	18%	0.182	C	C	.	.	S	Bend	trans	73.2	174.4	-176.7	0	0	0	0	0	112.9	S337 G341 V342	S337-G339 PolarHBondContact OG-N 3.48Å; S337-G339 VanDerWaalsContact OG-N 3.08Å; G339-G341 PolarHBondContact O-N 2.95Å; G339-V342 PolarHBondContact O-N 3.43Å
340	N	86.3	Confident	94.5	Very high	143 Å²	143	36.4 Å²	36.4	77%	0.765	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	19.9	-178.7	-60.3	-56.1	0	0	0	115.2	S254	S254-N340 PolarHBondContact O-N 3.37Å
341	G	80	Confident	94.2	Very high	8 Å²	8	36.7 Å²	36.7	8%	0.082	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	3.4	-176.4	0	0	0	0	0	115.3	N287 G339	N287-G341 WeakPolarHBondContact ND2-CA 3.32Å; G339-G341 PolarHBondContact O-N 2.95Å
342	V	92.5	Very high	94	Very high	86 Å²	86	39.3 Å²	39.3	52%	0.521	21%	0.212	S	C	.	.			trans	-81	120.1	174.3	-178.8	0	0	0	0	109.2	R338 G339	R338-V342 HydrophobicContact CB-CB 4.16Å; R338-V342 HydrophobicContact CB-CG1 4.08Å; R338-V342 PolarHBondContact N-O 2.88Å; G339-V342 PolarHBondContact O-N 3.43Å
343	M	95.6	Very high	93.5	Very high	17 Å²	17	42 Å²	42	8%	0.084	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.8	175.5	-53.1	-62.9	-60.4	0	0	109.8	F253 I276 F288 L316 Y335 L336	F253-M343 HydrophobicContact CB-SD 4.39Å; F253-M343 HydrophobicContact CD1-CE 3.81Å; F253-M343 HydrophobicContact CD1-SD 3.95Å; F253-M343 HydrophobicContact CE1-CE 4.2Å; I276-M343 HydrophobicContact CD1-CE 4.46Å; I276-M343 HydrophobicContact CD1-CG 3.81Å; I276-M343 HydrophobicContact CD1-SD 3.97Å; F288-M343 HydrophobicContact CB-CG 4.44Å; F288-M343 HydrophobicContact CD1-CB 4.3Å; F288-M343 HydrophobicContact CD1-CG 3.84Å; F288-M343 HydrophobicContact CD2-CB 4.07Å; F288-M343 HydrophobicContact CD2-CG 3.99Å; F288-M343 HydrophobicContact CE1-CB 3.99Å; F288-M343 HydrophobicContact CE1-CG 4.01Å; F288-M343 HydrophobicContact CE2-CB 3.75Å; F288-M343 HydrophobicContact CE2-CG 4.16Å; F288-M343 HydrophobicContact CG-CB 4.34Å; F288-M343 HydrophobicContact CG-CG 3.82Å; F288-M343 HydrophobicContact CZ-CB 3.7Å; F288-M343 HydrophobicContact CZ-CG 4.17Å; L316-M343 HydrophobicContact CB-CE 3.97Å; Y335-M343 WeakPolarHBondContact O-CE 3.46Å; L336-M343 CarbonylContact O-C 3.56Å; L336-M343 WeakPolarHBondContact O-CA 3.47Å
344	E	95.3	Very high	93.1	Very high	97 Å²	97	43.1 Å²	43.1	45%	0.453	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.2	-178.1	-176.7	179.4	-169.3	0	0	110.7	Y335 L336 R338 N346	Y335-E344 CarbonylContact C-O 3.52Å; Y335-E344 VanDerWaalsContact CA-O 3.27Å; Y335-E344 WeakPolarHBondContact CA-O 3.35Å; L336-E344 PolarHBondContact N-O 2.97Å; L336-E344 PolarHBondContact O-N 2.91Å; R338-E344 HydrophobicContact CG-CB 4.35Å; R338-E344 IonicContact CZ-OE2 3.87Å; R338-E344 IonicContact NE-OE2 3.95Å; R338-E344 PolarHBondContact NE-OE2 3.04Å; R338-E344 IonicContact NH2-OE2 2.66Å; R338-E344 PolarHBondContact NH2-OE2 2.7Å; E344-N346 PolarHBondContact O-N 3.49Å
345	E	95.1	Very high	92.8	Very high	72 Å²	72	49.4 Å²	49.4	34%	0.336	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	98.2	177.6	-167.1	-173.6	172.5	0	0	111.2	K293 Y335 G347	K293-E345 WeakPolarHBondContact CE-OE2 3.06Å; K293-E345 IonicContact NZ-OE1 3.59Å; K293-E345 PolarHBondContact NZ-OE1 2.77Å; K293-E345 IonicContact NZ-OE2 3.92Å; K293-E345 PolarHBondContact NZ-OE2 3.25Å; Y335-E345 HydrophobicContact CD1-CB 3.87Å; Y335-E345 HydrophobicContact CD1-CG 4.24Å; Y335-E345 HydrophobicContact CE1-CB 3.7Å; Y335-E345 HydrophobicContact CE1-CG 3.85Å; E345-G347 VanDerWaalsContact C-N 3.34Å
346	N	93.4	Very high	92.6	Very high	45 Å²	45	50.2 Å²	50.2	24%	0.241	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-26	178.6	-174.7	12.4	0	0	0	112.1	V334 L336 E344 T399 R403	V334-N346 PolarHBondContact O-N 2.93Å; L336-N346 HydrophobicContact CD1-CB 3.98Å; L336-N346 WeakPolarHBondContact CD1-ND2 3.45Å; L336-N346 HydrophobicContact CG-CB 3.82Å; E344-N346 PolarHBondContact O-N 3.49Å; N346-T399 PolarHBondContact ND2-O 2.97Å; N346-R403 PolarHBondContact O-NH2 3.05Å
347	G	94.3	Very high	92.5	Very high	16 Å²	16	50.1 Å²	50.1	17%	0.165	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155	-154.6	170.4	0	0	0	0	0	114.2	V334 E345	V334-G347 PolarHBondContact N-O 2.97Å; E345-G347 VanDerWaalsContact C-N 3.34Å
348	V	95.9	Very high	92.5	Very high	57 Å²	57	50.4 Å²	50.4	35%	0.345	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151.1	179.4	-64.6	0	0	0	0	111.3	Q331 V332	Q331-V348 HydrophobicContact CG-CB 3.98Å; Q331-V348 HydrophobicContact CG-CG1 4.09Å; V332-V348 CarbonylContact O-C 3.13Å; V332-V348 VanDerWaalsContact O-CA 3.24Å; V332-V348 WeakPolarHBondContact O-CA 3.47Å
349	L	96.9	Very high	92.7	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	148.2	174.1	-51.3	176.4	0	0	0	109.3	L317 V332 V334 F359 I379 Y394 I401 R403	L317-L349 HydrophobicContact CD2-CD1 4.3Å; V332-L349 HydrophobicContact CB-CB 4.39Å; V332-L349 PolarHBondContact N-O 2.9Å; V332-L349 VanDerWaalsContact N-O 3.11Å; V332-L349 PolarHBondContact O-N 3.13Å; V334-L349 HydrophobicContact CG2-CD1 3.79Å; V334-L349 HydrophobicContact CG2-CD2 4.38Å; V334-L349 HydrophobicContact CG2-CG 3.78Å; L349-F359 HydrophobicContact CB-CE1 4.29Å; L349-F359 HydrophobicContact CB-CZ 4.35Å; L349-F359 WeakPolarHBondContact O-CE1 2.96Å; L349-I379 HydrophobicContact CB-CD1 4.49Å; L349-I379 HydrophobicContact CD1-CD1 3.77Å; L349-Y394 HydrophobicContact CB-CE1 3.96Å; L349-Y394 HydrophobicContact CD1-CD1 4.04Å; L349-Y394 HydrophobicContact CD1-CE1 4.18Å; L349-Y394 HydrophobicContact CD1-CG 4.24Å; L349-Y394 HydrophobicContact CD2-CD1 3.95Å; L349-Y394 HydrophobicContact CD2-CE1 3.83Å; L349-Y394 HydrophobicContact CG-CD1 4.43Å; L349-Y394 HydrophobicContact CG-CE1 4.2Å; L349-I401 HydrophobicContact CD1-CD1 3.89Å; L349-I401 HydrophobicContact CD2-CG2 4.44Å; L349-R403 HydrophobicContact CD2-CB 4.47Å
350	T	94.9	Very high	93.1	Very high	49 Å²	49	44.7 Å²	44.7	30%	0.301	25%	0.25	S	S	.	.			trans	-148.5	137.8	-179.3	52.2	0	0	0	0	109.4	Y394	T350-Y394 VanDerWaalsContact C-OH 3.26Å; T350-Y394 PolarHBondContact O-OH 3.01Å
351	G	90.8	Very high	93.6	Very high	10 Å²	10	40 Å²	40	10%	0.103	22%	0.223	C	C	.	.	S	Bend	trans	-68.2	-150.2	167.3	0	0	0	0	0	112.2	S353	G351-S353 PolarHBondContact O-N 2.65Å
352	D	91.8	Very high	94.5	Very high	76 Å²	76	40.1 Å²	40.1	41%	0.406	22%	0.223	S	C	.	.	S	Bend	trans	-72.6	16.7	179.6	-64.7	-36.2	0	0	0	114.4	A354 Y392 Y405 K408	D352-A354 PolarHBondContact O-N 2.81Å; D352-Y392 PolarHBondContact N-OH 3.17Å; D352-Y392 VanDerWaalsContact N-OH 3.09Å; D352-Y392 PolarHBondContact OD2-OH 3.24Å; D352-Y405 WeakPolarHBondContact OD1-CE1 3.41Å; D352-Y405 PolarHBondContact OD1-OH 2.82Å; D352-K408 VanDerWaalsContact OD2-CD 3.27Å; D352-K408 WeakPolarHBondContact OD2-CD 3.38Å; D352-K408 WeakPolarHBondContact OD2-CE 3.08Å; D352-K408 IonicContact OD2-NZ 3.65Å; D352-K408 PolarHBondContact OD2-NZ 3.01Å
353	S	88.2	Confident	94.8	Very high	58 Å²	58	37 Å²	37	41%	0.406	20%	0.203	S	C	.	.			trans	47.9	38	-170.8	-63.2	0	0	0	0	113.2	E329 G351	E329-S353 WeakPolarHBondContact CG-O 3.19Å; G351-S353 PolarHBondContact O-N 2.65Å
354	A	90.9	Very high	94.9	Very high	27 Å²	27	36.9 Å²	36.9	22%	0.223	21%	0.205	C	C	.	.			trans	-69.9	141.4	-178.7	0	0	0	0	0	111.7	D352 N356 A357 E384	D352-A354 PolarHBondContact O-N 2.81Å; A354-N356 PolarHBondContact O-N 3.48Å; A354-A357 HydrophobicContact CB-CB 4Å; A354-A357 WeakPolarHBondContact O-CB 3.29Å; A354-A357 PolarHBondContact O-N 2.86Å; A354-E384 HydrophobicContact CB-CG 3.73Å; A354-E384 WeakPolarHBondContact CB-OE1 3.23Å
355	F	90.8	Very high	94.9	Very high	135 Å²	135	32.8 Å²	32.8	59%	0.592	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	126.7	-177.2	175.3	-87.3	0	0	0	112.3	R327 A357	R327-F355 HydrophobicContact CB-CD2 4.08Å; R327-F355 HydrophobicContact CB-CE2 3.87Å; R327-F355 HydrophobicContact CG-CE2 4.11Å; R327-F355 HydrophobicContact CG-CZ 4.38Å; F355-A357 PolarHBondContact O-N 2.71Å; F355-A357 VanDerWaalsContact O-N 3.12Å
356	N	93.4	Very high	94.9	Very high	29 Å²	29	29.4 Å²	29.4	16%	0.155	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	26	177.8	177.7	89.8	0	0	0	113.3	R327 D328 A354 H358 K383	R327-N356 PolarHBondContact O-N 3.49Å; D328-N356 CarbonylContact O-C 3.46Å; D328-N356 VanDerWaalsContact O-C 3.24Å; D328-N356 VanDerWaalsContact O-CA 3.24Å; D328-N356 WeakPolarHBondContact O-CA 3.43Å; A354-N356 PolarHBondContact O-N 3.48Å; N356-H358 VanDerWaalsContact C-N 3.32Å; N356-H358 PolarHBondContact O-N 3.1Å; N356-K383 WeakPolarHBondContact O-CB 3.34Å
357	A	95.6	Very high	94.9	Very high	2 Å²	2	27.5 Å²	27.5	2%	0.017	16%	0.163	C	C	.	.			trans	-68	-25.7	-174.3	0	0	0	0	0	114.5	D328 A354 F355 A381 K383 E384	D328-A357 PolarHBondContact O-N 2.03Å; D328-A357 VanDerWaalsContact O-N 3.12Å; A354-A357 HydrophobicContact CB-CB 4Å; A354-A357 WeakPolarHBondContact O-CB 3.29Å; A354-A357 PolarHBondContact O-N 2.86Å; F355-A357 PolarHBondContact O-N 2.71Å; F355-A357 VanDerWaalsContact O-N 3.12Å; A357-A381 HydrophobicContact CB-CB 4.33Å; A357-A381 CarbonylContact O-C 3.1Å; A357-A381 VanDerWaalsContact O-CA 3.32Å; A357-A381 WeakPolarHBondContact O-CA 3.03Å; A357-K383 PolarHBondContact O-N 2.8Å; A357-E384 HydrophobicContact CB-CB 3.85Å; A357-E384 HydrophobicContact CB-CG 4.04Å
358	H	96.8	Very high	94.9	Very high	7 Å²	7	28.5 Å²	28.5	3%	0.032	17%	0.165	C	C	.	.			trans	58.8	42.7	-173.6	-85.5	-121.1	0	0	0	113.4	P321 D328 N356 G360 E361 K383	P321-H358 HydrophobicContact CB-CB 4.12Å; D328-H358 PolarHBondContact O-N 3.44Å; N356-H358 VanDerWaalsContact C-N 3.32Å; N356-H358 PolarHBondContact O-N 3.1Å; H358-G360 PolarHBondContact O-N 3.47Å; H358-E361 HydrophobicContact CB-CB 4.37Å; H358-E361 IonicContact CE1-OE2 3.64Å; H358-E361 IonicContact CG-OE2 3.71Å; H358-E361 IonicContact ND1-OE2 2.7Å; H358-E361 PolarHBondContact ND1-OE2 3.45Å; H358-E361 WeakPolarHBondContact O-CB 3.18Å; H358-E361 PolarHBondContact O-N 2.74Å; H358-E361 VanDerWaalsContact O-N 3.09Å; H358-K383 HydrophobicContact CB-CB 4.41Å; H358-K383 HydrophobicContact CB-CD 4.41Å; H358-K383 HydrophobicContact CB-CG 4.33Å; H358-K383 PolarHBondContact CD2-NZ 2.99Å; H358-K383 PolarHBondContact CE1-NZ 3.39Å; H358-K383 PolarHBondContact NE2-NZ 2.87Å
359	F	98.3	Very high	94.7	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.018	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-60.5	121.6	175.9	179.1	-90.4	0	0	0	111.2	E329 G330 Q331 V332 L349 I379 A381 Y392 Y394	E329-F359 WeakPolarHBondContact O-CB 3.13Å; E329-F359 PolarHBondContact O-N 2.8Å; G330-F359 CarbonylContact C-O 3.15Å; G330-F359 VanDerWaalsContact CA-O 3.27Å; G330-F359 WeakPolarHBondContact CA-O 3.12Å; Q331-F359 PolarHBondContact N-O 3.05Å; Q331-F359 VanDerWaalsContact N-O 3.1Å; V332-F359 HydrophobicContact CB-CE1 4.16Å; V332-F359 HydrophobicContact CG2-CD1 4.2Å; V332-F359 HydrophobicContact CG2-CE1 3.78Å; L349-F359 HydrophobicContact CB-CE1 4.29Å; L349-F359 HydrophobicContact CB-CZ 4.35Å; L349-F359 WeakPolarHBondContact O-CE1 2.96Å; F359-I379 HydrophobicContact CD1-CG2 4.22Å; F359-I379 HydrophobicContact CD2-CG2 3.95Å; F359-I379 HydrophobicContact CE1-CD1 4.3Å; F359-I379 HydrophobicContact CE1-CG2 3.86Å; F359-I379 HydrophobicContact CE2-CB 3.97Å; F359-I379 HydrophobicContact CE2-CG2 3.57Å; F359-I379 HydrophobicContact CG-CG2 4.26Å; F359-I379 HydrophobicContact CZ-CB 3.96Å; F359-I379 HydrophobicContact CZ-CD1 3.75Å; F359-I379 HydrophobicContact CZ-CG1 4.45Å; F359-I379 HydrophobicContact CZ-CG2 3.52Å; F359-A381 HydrophobicContact CB-CB 4.28Å; F359-A381 HydrophobicContact CD2-CB 4.45Å; F359-Y392 AromaticContact CD2-CD2 3.7Å; F359-Y392 HydrophobicContact CD2-CD2 3.7Å; F359-Y392 AromaticContact CD2-CE2 3.97Å; F359-Y392 HydrophobicContact CD2-CE2 3.97Å; F359-Y392 HydrophobicContact CD2-CG 4.39Å; F359-Y392 AromaticContact CE2-CD2 3.68Å; F359-Y392 HydrophobicContact CE2-CD2 3.68Å; F359-Y392 HydrophobicContact CE2-CE2 4.33Å; F359-Y392 AromaticContact CE2-CG 3.93Å; F359-Y392 HydrophobicContact CE2-CG 3.93Å; F359-Y394 HydrophobicContact CE2-CE2 4.12Å; F359-Y394 AromaticContact CZ-CE2 3.82Å; F359-Y394 HydrophobicContact CZ-CE2 3.82Å; F359-Y394 AromaticContact CZ-CZ 3.89Å; F359-Y394 VanDerWaalsContact CZ-OH 3.29Å; F359-Y394 WeakPolarHBondContact CZ-OH 3.33Å
360	G	97.8	Very high	94.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	9.1	-174.1	0	0	0	0	0	114.6	S302 H358 S362 G380	S302-G360 PolarHBondContact OG-O 3.45Å; H358-G360 PolarHBondContact O-N 3.47Å; G360-S362 PolarHBondContact O-N 2.87Å; G360-G380 PolarHBondContact N-O 2.66Å
361	E	97.8	Very high	94.1	Very high	43 Å²	43	26.1 Å²	26.1	20%	0.201	15%	0.148	C	C	.	.	S	Bend	trans	-60.9	-36	171.4	-169	73.4	-144.2	0	0	111	P321 H358 G380 P382	P321-E361 HydrophobicContact CB-CB 4.24Å; P321-E361 WeakPolarHBondContact CB-OE2 3.28Å; H358-E361 HydrophobicContact CB-CB 4.37Å; H358-E361 IonicContact CE1-OE2 3.64Å; H358-E361 IonicContact CG-OE2 3.71Å; H358-E361 IonicContact ND1-OE2 2.7Å; H358-E361 PolarHBondContact ND1-OE2 3.45Å; H358-E361 WeakPolarHBondContact O-CB 3.18Å; H358-E361 PolarHBondContact O-N 2.74Å; H358-E361 VanDerWaalsContact O-N 3.09Å; E361-G380 PolarHBondContact N-O 2.98Å; E361-P382 HydrophobicContact CB-CG 3.85Å; E361-P382 HydrophobicContact CG-CG 3.87Å
362	S	98.1	Very high	94	Very high	12 Å²	12	28.3 Å²	28.3	8%	0.084	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.1	169.3	75.5	0	0	0	0	111	G360 G380 G422 Q423 I425	G360-S362 PolarHBondContact O-N 2.87Å; S362-G380 PolarHBondContact O-N 2.92Å; S362-G422 PolarHBondContact OG-O 3.49Å; S362-Q423 WeakPolarHBondContact CB-O 3.49Å; S362-I425 WeakPolarHBondContact OG-CD1 3.36Å
363	I	98.6	Very high	94	Very high	20 Å²	20	25.9 Å²	25.9	10%	0.103	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	128.5	174.7	-50.2	171.5	0	0	0	107.2	S302 C304 L317 V332 A378 I379	S302-I363 WeakPolarHBondContact OG-CD1 3Å; C304-I363 HydrophobicContact CB-CB 3.96Å; C304-I363 HydrophobicContact CB-CG2 3.42Å; C304-I363 VanDerWaalsContact CB-CG2 3.42Å; L317-I363 HydrophobicContact CB-CD1 4.17Å; L317-I363 HydrophobicContact CB-CG2 4.2Å; L317-I363 HydrophobicContact CD2-CG2 4.16Å; V332-I363 HydrophobicContact CB-CD1 4.44Å; V332-I363 HydrophobicContact CG1-CD1 3.73Å; V332-I363 HydrophobicContact CG2-CD1 3.79Å; V332-I363 HydrophobicContact CG2-CG1 4.23Å; I363-A378 WeakPolarHBondContact CA-O 3.14Å; I363-I379 HydrophobicContact CG1-CG1 4.44Å; I363-I379 HydrophobicContact CG2-CG1 4.14Å
364	A	97.7	Very high	94.3	Very high	14 Å²	14	25.9 Å²	25.9	12%	0.116	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138.3	176	0	0	0	0	0	110.8	V377 A378 I425	A364-V377 CarbonylContact O-C 3.58Å; A364-V377 WeakPolarHBondContact O-CA 3.06Å; A364-A378 PolarHBondContact N-O 2.85Å; A364-A378 PolarHBondContact O-N 3.3Å; A364-I425 HydrophobicContact CB-CB 3.86Å; A364-I425 HydrophobicContact CB-CG2 3.95Å
365	A	96.3	Very high	94.5	Very high	12 Å²	12	27.1 Å²	27.1	10%	0.099	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.7	166.2	0	0	0	0	0	108.2	C304 V306 D376 V377 K428	C304-A365 PolarHBondContact SG-N 2.76Å; V306-A365 HydrophobicContact CB-CB 3.79Å; V306-A365 HydrophobicContact CG1-CB 4.4Å; V306-A365 HydrophobicContact CG2-CB 3.84Å; A365-D376 WeakPolarHBondContact CA-O 3.28Å; A365-V377 HydrophobicContact CB-CG1 4.47Å; A365-K428 WeakPolarHBondContact O-CE 3.49Å; A365-K428 WeakPolarHBondContact O-CG 3.13Å
366	I	95.9	Very high	94.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-6.6	-170.4	56.8	175.8	0	0	0	113.5	I369 D376 A378 I393 K428 A437 V439	I366-I369 HydrophobicContact CB-CG2 4.41Å; I366-I369 HydrophobicContact CD1-CD1 3.79Å; I366-I369 HydrophobicContact CD1-CG1 4.06Å; I366-I369 HydrophobicContact CD1-CG2 3.91Å; I366-I369 HydrophobicContact CG1-CG2 3.96Å; I366-D376 HydrophobicContact CD1-CB 4.03Å; I366-D376 HydrophobicContact CG1-CB 3.81Å; I366-D376 WeakPolarHBondContact CG1-O 3.39Å; I366-D376 PolarHBondContact N-O 2.83Å; I366-A378 HydrophobicContact CD1-CB 4.47Å; I366-A378 HydrophobicContact CG2-CB 3.66Å; I366-I393 HydrophobicContact CD1-CD1 4.18Å; I366-I393 HydrophobicContact CD1-CG2 3.79Å; I366-K428 WeakPolarHBondContact O-CA 3.39Å; I366-K428 PolarHBondContact O-N 3.39Å; I366-A437 WeakPolarHBondContact O-CB 3.42Å; I366-V439 HydrophobicContact CB-CG2 4.19Å; I366-V439 HydrophobicContact CD1-CG2 4.07Å; I366-V439 HydrophobicContact CG2-CG1 4.15Å; I366-V439 HydrophobicContact CG2-CG2 4.13Å
367	G	93.2	Very high	95	Very high	6 Å²	6	19.3 Å²	19.3	6%	0.062	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.1	-174.5	-174.2	0	0	0	0	0	110.8	I369 D376	G367-I369 PolarHBondContact O-N 3.18Å; G367-D376 WeakPolarHBondContact O-CA 3.27Å; G367-D376 VanDerWaalsContact O-CB 3.29Å; G367-D376 WeakPolarHBondContact O-CB 3.47Å; G367-D376 PolarHBondContact O-N 3.31Å
368	D	93.6	Very high	95.1	Very high	36 Å²	36	19.2 Å²	19.2	19%	0.193	11%	0.107	C	C	.	.			trans	-80.9	108.8	162.5	179.9	-11.9	0	0	0	106	D370 D371 D372 G373 Y374	D368-D370 PolarHBondContact OD1-N 3.47Å; D368-D371 WeakPolarHBondContact OD1-CA 3.26Å; D368-D371 PolarHBondContact OD1-N 2.88Å; D368-D372 PolarHBondContact OD1-N 3.32Å; D368-D372 PolarHBondContact OD2-N 2.8Å; D368-G373 WeakPolarHBondContact OD2-CA 3.37Å; D368-G373 PolarHBondContact OD2-N 3.42Å; D368-Y374 WeakPolarHBondContact CA-O 3.33Å; D368-Y374 WeakPolarHBondContact CB-O 3.26Å
369	I	92.2	Very high	95.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-98.3	-9.5	-178.8	63.5	153.5	0	0	0	113	N28 I29 I366 G367 D376 I393 M407 Y436 A437	N28-I369 VanDerWaalsContact ND2-C 3.27Å; N28-I369 WeakPolarHBondContact ND2-CD1 3.42Å; N28-I369 PolarHBondContact ND2-O 3.44Å; I29-I369 HydrophobicContact CD1-CD1 3.98Å; I29-I369 HydrophobicContact CG1-CD1 4.09Å; I366-I369 HydrophobicContact CB-CG2 4.41Å; I366-I369 HydrophobicContact CD1-CD1 3.79Å; I366-I369 HydrophobicContact CD1-CG1 4.06Å; I366-I369 HydrophobicContact CD1-CG2 3.91Å; I366-I369 HydrophobicContact CG1-CG2 3.96Å; G367-I369 PolarHBondContact O-N 3.18Å; I369-D376 HydrophobicContact CG1-CB 4.22Å; I369-D376 WeakPolarHBondContact CG1-OD2 3.5Å; I369-D376 PolarHBondContact N-OD2 3Å; I369-I393 HydrophobicContact CD1-CG2 4.11Å; I369-M407 HydrophobicContact CD1-CE 3.66Å; I369-Y436 WeakPolarHBondContact O-CD1 3.43Å; I369-A437 HydrophobicContact CG2-CB 4.31Å; I369-A437 WeakPolarHBondContact CG2-O 3.32Å
370	D	89.3	Confident	95.2	Very high	7 Å²	7	18.7 Å²	18.7	4%	0.037	11%	0.105	C	C	.	.	S	Bend	trans	-118.7	7.1	-177.8	113.2	-82.2	0	0	0	114.8	Y27 N28 D368 D372 H395 V457 R597	Y27-D370 HydrophobicContact CE1-CB 3.7Å; Y27-D370 WeakPolarHBondContact CE1-OD2 3.37Å; Y27-D370 PolarHBondContact OH-OD2 3.06Å; N28-D370 WeakPolarHBondContact ND2-CB 3.32Å; D368-D370 PolarHBondContact OD1-N 3.47Å; D370-D372 VanDerWaalsContact C-N 3.28Å; D370-D372 PolarHBondContact O-N 3.42Å; D370-H395 IonicContact OD1-CE1 3.26Å; D370-H395 IonicContact OD1-ND1 3.81Å; D370-V457 HydrophobicContact CB-CG2 3.99Å; D370-V457 WeakPolarHBondContact O-CB 3.27Å; D370-V457 WeakPolarHBondContact O-CG1 3.12Å; D370-R597 PolarHBondContact O-NH2 3.36Å; D370-R597 IonicContact OD2-NE 3.4Å
371	D	89.3	Confident	95.2	Very high	50 Å²	50	18.7 Å²	18.7	27%	0.267	11%	0.105	S	C	.	.	S	Bend	trans	59.7	34	173.8	-157.7	70.7	0	0	0	111.9	D368 Y436 R498 R597	D368-D371 WeakPolarHBondContact OD1-CA 3.26Å; D368-D371 PolarHBondContact OD1-N 2.88Å; D371-Y436 HydrophobicContact CB-CD1 4.48Å; D371-Y436 HydrophobicContact CB-CE1 3.73Å; D371-R498 WeakPolarHBondContact OD1-CD 3.47Å; D371-R498 IonicContact OD1-CZ 2.65Å; D371-R498 IonicContact OD1-NE 2.74Å; D371-R498 IonicContact OD1-NH1 3.15Å; D371-R498 PolarHBondContact OD1-NH1 3.05Å; D371-R597 PolarHBondContact O-NH2 3.13Å
372	D	89.6	Confident	95.2	Very high	56 Å²	56	16.7 Å²	16.7	30%	0.299	10%	0.095	S	C	.	.	S	Bend	trans	-92.4	-19.3	-174.9	112.2	-44.2	0	0	0	113.6	D368 D370 Y374	D368-D372 PolarHBondContact OD1-N 3.32Å; D368-D372 PolarHBondContact OD2-N 2.8Å; D370-D372 VanDerWaalsContact C-N 3.28Å; D370-D372 PolarHBondContact O-N 3.42Å; D372-Y374 VanDerWaalsContact OD1-CD2 3.28Å; D372-Y374 WeakPolarHBondContact OD1-CD2 3.28Å; D372-Y374 PolarHBondContact OD1-N 3.1Å
373	G	91.6	Very high	95.1	Very high	25 Å²	25	18.4 Å²	18.4	26%	0.258	10%	0.101	S	C	.	.	S	Bend	trans	118.6	-24	178.4	0	0	0	0	0	114.4	Q310 D368	Q310-G373 PolarHBondContact NE2-O 3.34Å; D368-G373 WeakPolarHBondContact OD2-CA 3.37Å; D368-G373 PolarHBondContact OD2-N 3.42Å
374	Y	94.4	Very high	95	Very high	58 Å²	58	17.7 Å²	17.7	23%	0.227	10%	0.098	C	C	.	.	S	Bend	trans	-98.7	163.6	-173.5	-58.2	-80.4	0	0	0	112.3	L308 N309 Q310 D368 D372 A398	L308-Y374 WeakPolarHBondContact O-CD1 3.18Å; N309-Y374 WeakPolarHBondContact O-CE1 3.4Å; Q310-Y374 HydrophobicContact CB-CD1 4.01Å; Q310-Y374 HydrophobicContact CB-CE1 4.02Å; D368-Y374 WeakPolarHBondContact CA-O 3.33Å; D368-Y374 WeakPolarHBondContact CB-O 3.26Å; D372-Y374 VanDerWaalsContact OD1-CD2 3.28Å; D372-Y374 WeakPolarHBondContact OD1-CD2 3.28Å; D372-Y374 PolarHBondContact OD1-N 3.1Å; Y374-A398 HydrophobicContact CE1-CB 4.34Å
375	Q	95.3	Very high	94.8	Very high	54 Å²	54	20.2 Å²	20.2	25%	0.252	11%	0.109	S	C	.	.	P	Polyproline II helix	trans	-91	131.4	177.1	-65.3	-71.7	-83.8	0	0	111.5	V306 D307	V306-Q375 HydrophobicContact CG2-CB 3.37Å; V306-Q375 HydrophobicContact CG2-CG 4.03Å; D307-Q375 VanDerWaalsContact O-CB 3.3Å; D307-Q375 WeakPolarHBondContact O-CB 3.41Å; D307-Q375 VanDerWaalsContact O-CG 3.3Å; D307-Q375 WeakPolarHBondContact O-CG 3.37Å
376	D	95.6	Very high	94.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	155.7	178.9	-56.3	-41.4	0	0	0	112.2	A365 I366 G367 I369 H395 G396	A365-D376 WeakPolarHBondContact CA-O 3.28Å; I366-D376 HydrophobicContact CD1-CB 4.03Å; I366-D376 HydrophobicContact CG1-CB 3.81Å; I366-D376 WeakPolarHBondContact CG1-O 3.39Å; I366-D376 PolarHBondContact N-O 2.83Å; G367-D376 WeakPolarHBondContact O-CA 3.27Å; G367-D376 VanDerWaalsContact O-CB 3.29Å; G367-D376 WeakPolarHBondContact O-CB 3.47Å; G367-D376 PolarHBondContact O-N 3.31Å; I369-D376 HydrophobicContact CG1-CB 4.22Å; I369-D376 WeakPolarHBondContact CG1-OD2 3.5Å; I369-D376 PolarHBondContact N-OD2 3Å; D376-H395 WeakPolarHBondContact OD1-CA 3.32Å; D376-H395 IonicContact OD1-CE1 3.04Å; D376-H395 IonicContact OD1-CG 3.51Å; D376-H395 IonicContact OD1-ND1 3.68Å; D376-H395 PolarHBondContact OD1-ND1 2.89Å; D376-H395 IonicContact OD2-CE1 3.66Å; D376-H395 IonicContact OD2-ND1 2.71Å; D376-H395 PolarHBondContact OD2-ND1 2.02Å; D376-G396 PolarHBondContact OD1-N 2.88Å
377	V	97.5	Very high	94.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142	177	-60	0	0	0	0	112.4	V306 L308 L317 A364 A365 I393 Y394 I401	V306-V377 HydrophobicContact CG1-CG1 3.89Å; L308-V377 HydrophobicContact CD2-CG1 3.95Å; L317-V377 HydrophobicContact CD1-CG1 4.35Å; L317-V377 HydrophobicContact CD2-CB 4.4Å; L317-V377 HydrophobicContact CD2-CG1 4.26Å; L317-V377 HydrophobicContact CD2-CG2 3.93Å; A364-V377 CarbonylContact O-C 3.58Å; A364-V377 WeakPolarHBondContact O-CA 3.06Å; A365-V377 HydrophobicContact CB-CG1 4.47Å; V377-I393 WeakPolarHBondContact O-CA 3.24Å; V377-Y394 PolarHBondContact N-O 3.04Å; V377-Y394 PolarHBondContact O-N 2.82Å; V377-I401 HydrophobicContact CG2-CD1 3.56Å
378	A	98.2	Very high	94.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.1	169.8	0	0	0	0	0	110	I363 A364 I366 V391 Y392 I393 I425	I363-A378 WeakPolarHBondContact CA-O 3.14Å; A364-A378 PolarHBondContact N-O 2.85Å; A364-A378 PolarHBondContact O-N 3.3Å; I366-A378 HydrophobicContact CD1-CB 4.47Å; I366-A378 HydrophobicContact CG2-CB 3.66Å; A378-V391 HydrophobicContact CB-CG1 3.93Å; A378-Y392 WeakPolarHBondContact CA-O 3.25Å; A378-I393 HydrophobicContact CB-CD1 3.57Å; A378-I425 HydrophobicContact CB-CD1 4Å; A378-I425 HydrophobicContact CB-CG2 3.97Å
379	I	98.7	Very high	94.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.3	179.5	-60.9	170.1	0	0	0	109.1	V332 L349 F359 I363 V391 Y392 Y394	V332-I379 HydrophobicContact CB-CD1 4.24Å; V332-I379 HydrophobicContact CG1-CD1 4.33Å; V332-I379 HydrophobicContact CG2-CD1 4.03Å; V332-I379 HydrophobicContact CG2-CG2 3.88Å; L349-I379 HydrophobicContact CB-CD1 4.49Å; L349-I379 HydrophobicContact CD1-CD1 3.77Å; F359-I379 HydrophobicContact CD1-CG2 4.22Å; F359-I379 HydrophobicContact CD2-CG2 3.95Å; F359-I379 HydrophobicContact CE1-CD1 4.3Å; F359-I379 HydrophobicContact CE1-CG2 3.86Å; F359-I379 HydrophobicContact CE2-CB 3.97Å; F359-I379 HydrophobicContact CE2-CG2 3.57Å; F359-I379 HydrophobicContact CG-CG2 4.26Å; F359-I379 HydrophobicContact CZ-CB 3.96Å; F359-I379 HydrophobicContact CZ-CD1 3.75Å; F359-I379 HydrophobicContact CZ-CG1 4.45Å; F359-I379 HydrophobicContact CZ-CG2 3.52Å; I363-I379 HydrophobicContact CG1-CG1 4.44Å; I363-I379 HydrophobicContact CG2-CG1 4.14Å; I379-V391 WeakPolarHBondContact O-CA 3.34Å; I379-Y392 PolarHBondContact N-O 3.25Å; I379-Y392 PolarHBondContact O-N 2.63Å; I379-Y394 HydrophobicContact CD1-CD2 3.87Å; I379-Y394 HydrophobicContact CD1-CE2 3.79Å; I379-Y394 HydrophobicContact CG1-CD2 4.47Å
380	G	98.3	Very high	95.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	143.2	179.8	0	0	0	0	0	113.6	G360 E361 S362	G360-G380 PolarHBondContact N-O 2.66Å; E361-G380 PolarHBondContact N-O 2.98Å; S362-G380 PolarHBondContact O-N 2.92Å
381	A	98.1	Very high	95.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	69.1	170.1	0	0	0	0	0	108.8	A357 F359 K383 E384 A390 Y392	A357-A381 HydrophobicContact CB-CB 4.33Å; A357-A381 CarbonylContact O-C 3.1Å; A357-A381 VanDerWaalsContact O-CA 3.32Å; A357-A381 WeakPolarHBondContact O-CA 3.03Å; F359-A381 HydrophobicContact CB-CB 4.28Å; F359-A381 HydrophobicContact CD2-CB 4.45Å; A381-K383 PolarHBondContact O-N 2.83Å; A381-K383 VanDerWaalsContact O-N 3.15Å; A381-E384 HydrophobicContact CB-CB 4.23Å; A381-E384 VanDerWaalsContact O-CB 3.32Å; A381-E384 WeakPolarHBondContact O-CB 3.5Å; A381-E384 PolarHBondContact O-N 3.37Å; A381-E384 VanDerWaalsContact O-N 3.17Å; A381-A390 PolarHBondContact N-O 2.75Å; A381-A390 PolarHBondContact O-N 2.89Å; A381-Y392 HydrophobicContact CB-CD2 4.44Å; A381-Y392 HydrophobicContact CB-CE2 4Å
382	P	97.8	Very high	95.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-13.7	-163.7	26.8	-34.7	0	0	0	115	E361 G389 M420 F421 Q423	E361-P382 HydrophobicContact CB-CG 3.85Å; E361-P382 HydrophobicContact CG-CG 3.87Å; P382-G389 WeakPolarHBondContact O-CA 3.41Å; P382-M420 HydrophobicContact CB-CB 4.32Å; P382-M420 HydrophobicContact CB-CE 3.94Å; P382-M420 HydrophobicContact CB-SD 4.18Å; P382-M420 HydrophobicContact CG-CE 4.06Å; P382-M420 WeakPolarHBondContact O-CA 3.49Å; P382-F421 WeakPolarHBondContact CA-O 3.24Å; P382-Q423 HydrophobicContact CB-CB 4.39Å
383	K	96.5	Very high	96.2	Very high	48 Å²	48	22.8 Å²	22.8	21%	0.209	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-7	177	-65.8	-167.1	-163.1	170.7	0	113.9	N356 A357 H358 A381 Y387 M420	N356-K383 WeakPolarHBondContact O-CB 3.34Å; A357-K383 PolarHBondContact O-N 2.8Å; H358-K383 HydrophobicContact CB-CB 4.41Å; H358-K383 HydrophobicContact CB-CD 4.41Å; H358-K383 HydrophobicContact CB-CG 4.33Å; H358-K383 PolarHBondContact CD2-NZ 2.99Å; H358-K383 PolarHBondContact CE1-NZ 3.39Å; H358-K383 PolarHBondContact NE2-NZ 2.87Å; A381-K383 PolarHBondContact O-N 2.83Å; A381-K383 VanDerWaalsContact O-N 3.15Å; K383-Y387 HydrophobicContact CD-CE1 4.04Å; K383-Y387 HydrophobicContact CG-CD1 4.15Å; K383-Y387 HydrophobicContact CG-CE1 3.98Å; K383-Y387 PolarHBondContact O-N 2.94Å; K383-Y387 VanDerWaalsContact O-N 3.11Å; K383-M420 HydrophobicContact CG-CE 4.4Å; K383-M420 HydrophobicContact CG-SD 4.05Å
384	E	95.9	Very high	96.4	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.028	10%	0.102	C	C	.	.	H	α-helix	trans	-59.3	160.7	175.8	-162.6	168.7	169.1	0	0	111.6	A354 A357 A381 D386 Y387 G388 G389 A390 Y392 K408	A354-E384 HydrophobicContact CB-CG 3.73Å; A354-E384 WeakPolarHBondContact CB-OE1 3.23Å; A357-E384 HydrophobicContact CB-CB 3.85Å; A357-E384 HydrophobicContact CB-CG 4.04Å; A381-E384 HydrophobicContact CB-CB 4.23Å; A381-E384 VanDerWaalsContact O-CB 3.32Å; A381-E384 WeakPolarHBondContact O-CB 3.5Å; A381-E384 PolarHBondContact O-N 3.37Å; A381-E384 VanDerWaalsContact O-N 3.17Å; E384-D386 VanDerWaalsContact C-N 3.28Å; E384-D386 PolarHBondContact O-N 2.99Å; E384-Y387 PolarHBondContact O-N 3.01Å; E384-G388 PolarHBondContact O-N 2.87Å; E384-G388 VanDerWaalsContact O-N 3.14Å; E384-G389 PolarHBondContact O-N 2.87Å; E384-A390 HydrophobicContact CB-CB 4.21Å; E384-A390 HydrophobicContact CG-CB 4.48Å; E384-Y392 VanDerWaalsContact CD-OH 3.24Å; E384-Y392 PolarHBondContact OE1-OH 2.75Å; E384-Y392 VanDerWaalsContact OE2-CE2 3.24Å; E384-Y392 WeakPolarHBondContact OE2-CE2 3.31Å; E384-Y392 PolarHBondContact OE2-OH 3.31Å; E384-K408 WeakPolarHBondContact OE1-CE 3.42Å; E384-K408 IonicContact OE1-NZ 3.66Å; E384-K408 PolarHBondContact OE1-NZ 2.98Å
385	D	93.3	Very high	96.4	Very high	67 Å²	67	19.1 Å²	19.1	36%	0.358	9%	0.092	S	C	.	.	H	α-helix	trans	48.8	48.3	-176.1	-66.5	-26.1	0	0	0	111.8	G388 S410 R412	D385-G388 PolarHBondContact O-N 2.94Å; D385-S410 PolarHBondContact OD2-OG 2.95Å; D385-R412 HydrophobicContact CB-CG 4.45Å; D385-R412 PolarHBondContact O-NE 2.76Å; D385-R412 PolarHBondContact O-NH2 2.91Å
386	D	93.3	Very high	96.3	Very high	125 Å²	125	16.6 Å²	16.6	67%	0.668	8%	0.08	S	C	*	.	H	α-helix	trans	45.7	69.5	-177.6	176.3	46.1	0	0	0	111.8	E384 G388 R412	E384-D386 VanDerWaalsContact C-N 3.28Å; E384-D386 PolarHBondContact O-N 2.99Å; D386-G388 PolarHBondContact O-N 2.96Å; D386-R412 PolarHBondContact O-NH2 3.43Å; D386-R412 IonicContact OD2-NH2 3.3Å
387	Y	95.6	Very high	96.1	Very high	94 Å²	94	18 Å²	18	37%	0.369	9%	0.088	S	C	.	.	H	α-helix	trans	59.6	4.6	-175.1	-58.1	-89.8	0	0	0	116.2	K383 E384 G389 Q419 M420	K383-Y387 HydrophobicContact CD-CE1 4.04Å; K383-Y387 HydrophobicContact CG-CD1 4.15Å; K383-Y387 HydrophobicContact CG-CE1 3.98Å; K383-Y387 PolarHBondContact O-N 2.94Å; K383-Y387 VanDerWaalsContact O-N 3.11Å; E384-Y387 PolarHBondContact O-N 3.01Å; Y387-G389 VanDerWaalsContact C-N 3.25Å; Y387-G389 PolarHBondContact O-N 3.08Å; Y387-Q419 CarbonylContact O-C 3.18Å; Y387-Q419 WeakPolarHBondContact O-CA 3.46Å; Y387-M420 HydrophobicContact CD1-SD 3.78Å; Y387-M420 HydrophobicContact CE1-SD 4.43Å; Y387-M420 PolarHBondContact O-N 2.91Å
388	G	96	Very high	95.9	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.021	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-33.5	172.1	0	0	0	0	0	112.4	E384 D385 D386 F421	E384-G388 PolarHBondContact O-N 2.87Å; E384-G388 VanDerWaalsContact O-N 3.14Å; D385-G388 PolarHBondContact O-N 2.94Å; D386-G388 PolarHBondContact O-N 2.96Å; G388-F421 VanDerWaalsContact O-CB 3.26Å; G388-F421 WeakPolarHBondContact O-CB 3.41Å
389	G	96.8	Very high	95.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.			trans	78.9	149.2	174	0	0	0	0	0	114.2	P382 E384 Y387 G411 F421	P382-G389 WeakPolarHBondContact O-CA 3.41Å; E384-G389 PolarHBondContact O-N 2.87Å; Y387-G389 VanDerWaalsContact C-N 3.25Å; Y387-G389 PolarHBondContact O-N 3.08Å; G389-G411 PolarHBondContact O-N 3.01Å; G389-F421 CarbonylContact C-O 3.54Å; G389-F421 WeakPolarHBondContact CA-O 3.38Å
390	A	97.2	Very high	95.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	156.9	175.2	0	0	0	0	0	112	A381 E384 Y392 L409 F421	A381-A390 PolarHBondContact N-O 2.75Å; A381-A390 PolarHBondContact O-N 2.89Å; E384-A390 HydrophobicContact CB-CB 4.21Å; E384-A390 HydrophobicContact CG-CB 4.48Å; A390-Y392 HydrophobicContact CB-CE2 4.14Å; A390-L409 CarbonylContact C-O 3.57Å; A390-L409 VanDerWaalsContact CA-O 3.3Å; A390-L409 WeakPolarHBondContact CA-O 3.38Å; A390-F421 PolarHBondContact N-O 2.87Å
391	V	98	Very high	95.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.2	168	174.9	0	0	0	0	108.9	A378 I379 I393 L409 F421 I425 I441	A378-V391 HydrophobicContact CB-CG1 3.93Å; I379-V391 WeakPolarHBondContact O-CA 3.34Å; V391-I393 HydrophobicContact CG1-CD1 3.92Å; V391-L409 HydrophobicContact CB-CB 4.41Å; V391-L409 HydrophobicContact CB-CD1 4.43Å; V391-L409 HydrophobicContact CG1-CD1 4.4Å; V391-L409 PolarHBondContact N-O 2.76Å; V391-L409 PolarHBondContact O-N 2.59Å; V391-F421 HydrophobicContact CB-CE1 4.35Å; V391-F421 HydrophobicContact CG2-CD1 4.23Å; V391-F421 HydrophobicContact CG2-CE1 3.99Å; V391-I425 HydrophobicContact CB-CD1 4.48Å; V391-I425 HydrophobicContact CG1-CD1 3.76Å; V391-I425 HydrophobicContact CG2-CD1 3.85Å; V391-I425 HydrophobicContact CG2-CG1 4.38Å; V391-I441 HydrophobicContact CB-CD1 4.1Å; V391-I441 HydrophobicContact CG1-CD1 4.29Å; V391-I441 HydrophobicContact CG2-CD1 3.89Å; V391-I441 HydrophobicContact CG2-CG1 4.31Å; V391-I441 HydrophobicContact CG2-CG2 3.91Å
392	Y	97.3	Very high	94.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.9	178	-65.2	-97	0	0	0	109.9	D352 F359 A378 I379 A381 E384 A390 Y405 M407 K408	D352-Y392 PolarHBondContact N-OH 3.17Å; D352-Y392 VanDerWaalsContact N-OH 3.09Å; D352-Y392 PolarHBondContact OD2-OH 3.24Å; F359-Y392 AromaticContact CD2-CD2 3.7Å; F359-Y392 HydrophobicContact CD2-CD2 3.7Å; F359-Y392 AromaticContact CD2-CE2 3.97Å; F359-Y392 HydrophobicContact CD2-CE2 3.97Å; F359-Y392 HydrophobicContact CD2-CG 4.39Å; F359-Y392 AromaticContact CE2-CD2 3.68Å; F359-Y392 HydrophobicContact CE2-CD2 3.68Å; F359-Y392 HydrophobicContact CE2-CE2 4.33Å; F359-Y392 AromaticContact CE2-CG 3.93Å; F359-Y392 HydrophobicContact CE2-CG 3.93Å; A378-Y392 WeakPolarHBondContact CA-O 3.25Å; I379-Y392 PolarHBondContact N-O 3.25Å; I379-Y392 PolarHBondContact O-N 2.63Å; A381-Y392 HydrophobicContact CB-CD2 4.44Å; A381-Y392 HydrophobicContact CB-CE2 4Å; E384-Y392 VanDerWaalsContact CD-OH 3.24Å; E384-Y392 PolarHBondContact OE1-OH 2.75Å; E384-Y392 VanDerWaalsContact OE2-CE2 3.24Å; E384-Y392 WeakPolarHBondContact OE2-CE2 3.31Å; E384-Y392 PolarHBondContact OE2-OH 3.31Å; A390-Y392 HydrophobicContact CB-CE2 4.14Å; Y392-Y405 AromaticContact CD1-CD1 3.57Å; Y392-Y405 HydrophobicContact CD1-CD1 3.57Å; Y392-Y405 HydrophobicContact CD1-CD2 4.1Å; Y392-Y405 AromaticContact CD1-CE1 3.78Å; Y392-Y405 HydrophobicContact CD1-CE1 3.78Å; Y392-Y405 HydrophobicContact CD1-CE2 4.32Å; Y392-Y405 AromaticContact CD1-CG 3.75Å; Y392-Y405 HydrophobicContact CD1-CG 3.75Å; Y392-Y405 AromaticContact CE1-CD1 3.99Å; Y392-Y405 HydrophobicContact CE1-CD1 3.99Å; Y392-Y405 AromaticContact CE1-CE1 3.72Å; Y392-Y405 HydrophobicContact CE1-CE1 3.72Å; Y392-M407 WeakPolarHBondContact CA-O 3.37Å; Y392-K408 HydrophobicContact CD1-CB 4.11Å; Y392-K408 HydrophobicContact CD1-CD 4.47Å; Y392-K408 HydrophobicContact CD1-CG 4.06Å; Y392-K408 HydrophobicContact CE1-CB 4.12Å; Y392-K408 HydrophobicContact CE1-CD 3.69Å; Y392-K408 HydrophobicContact CE1-CG 3.76Å; Y392-K408 VanDerWaalsContact OH-CE 3.24Å; Y392-K408 WeakPolarHBondContact OH-CE 3.4Å; Y392-K408 PolarHBondContact OH-NZ 2.82Å
393	I	95.8	Very high	94.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.5	179.4	-46.2	-59.9	0	0	0	109.8	I29 I366 I369 V377 A378 V391 Y405 S406 M407 L409	I29-I393 HydrophobicContact CD1-CD1 4.3Å; I29-I393 HydrophobicContact CD1-CG1 4.05Å; I366-I393 HydrophobicContact CD1-CD1 4.18Å; I366-I393 HydrophobicContact CD1-CG2 3.79Å; I369-I393 HydrophobicContact CD1-CG2 4.11Å; V377-I393 WeakPolarHBondContact O-CA 3.24Å; A378-I393 HydrophobicContact CB-CD1 3.57Å; V391-I393 HydrophobicContact CG1-CD1 3.92Å; I393-Y405 CarbonylContact O-C 3.59Å; I393-Y405 VanDerWaalsContact O-CA 3.24Å; I393-Y405 WeakPolarHBondContact O-CA 3.42Å; I393-Y405 VanDerWaalsContact O-CB 3.3Å; I393-Y405 WeakPolarHBondContact O-CB 3.45Å; I393-S406 PolarHBondContact O-N 2.84Å; I393-S406 PolarHBondContact O-OG 2.86Å; I393-M407 HydrophobicContact CB-CB 4.15Å; I393-M407 HydrophobicContact CB-CE 3.81Å; I393-M407 HydrophobicContact CG1-CB 4.12Å; I393-M407 HydrophobicContact CG1-CE 3.88Å; I393-M407 HydrophobicContact CG2-CE 3.77Å; I393-M407 PolarHBondContact N-O 2.59Å; I393-L409 HydrophobicContact CD1-CD1 4.09Å; I393-L409 HydrophobicContact CG1-CD1 4.19Å; I393-L409 HydrophobicContact CG1-CG 4.49Å
394	Y	95.3	Very high	94.2	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.6	179.4	-67.9	-105.6	0	0	0	109.6	L349 T350 F359 V377 I379 T402	L349-Y394 HydrophobicContact CB-CE1 3.96Å; L349-Y394 HydrophobicContact CD1-CD1 4.04Å; L349-Y394 HydrophobicContact CD1-CE1 4.18Å; L349-Y394 HydrophobicContact CD1-CG 4.24Å; L349-Y394 HydrophobicContact CD2-CD1 3.95Å; L349-Y394 HydrophobicContact CD2-CE1 3.83Å; L349-Y394 HydrophobicContact CG-CD1 4.43Å; L349-Y394 HydrophobicContact CG-CE1 4.2Å; T350-Y394 VanDerWaalsContact C-OH 3.26Å; T350-Y394 PolarHBondContact O-OH 3.01Å; F359-Y394 HydrophobicContact CE2-CE2 4.12Å; F359-Y394 AromaticContact CZ-CE2 3.82Å; F359-Y394 HydrophobicContact CZ-CE2 3.82Å; F359-Y394 AromaticContact CZ-CZ 3.89Å; F359-Y394 VanDerWaalsContact CZ-OH 3.29Å; F359-Y394 WeakPolarHBondContact CZ-OH 3.33Å; V377-Y394 PolarHBondContact N-O 3.04Å; V377-Y394 PolarHBondContact O-N 2.82Å; I379-Y394 HydrophobicContact CD1-CD2 3.87Å; I379-Y394 HydrophobicContact CD1-CE2 3.79Å; I379-Y394 HydrophobicContact CG1-CD2 4.47Å; Y394-T402 WeakPolarHBondContact CD1-O 3.27Å
395	H	93.3	Very high	94	Very high	5 Å²	5	42 Å²	42	2%	0.023	21%	0.209	C	C	.	.			trans	-85.3	141.2	177.1	-65.9	-62	0	0	0	112.7	Y27 D370 D376 T402 S406	Y27-H395 AromaticContact CD1-NE2 3.68Å; Y27-H395 AromaticContact CE1-NE2 3.73Å; D370-H395 IonicContact OD1-CE1 3.26Å; D370-H395 IonicContact OD1-ND1 3.81Å; D376-H395 WeakPolarHBondContact OD1-CA 3.32Å; D376-H395 IonicContact OD1-CE1 3.04Å; D376-H395 IonicContact OD1-CG 3.51Å; D376-H395 IonicContact OD1-ND1 3.68Å; D376-H395 PolarHBondContact OD1-ND1 2.89Å; D376-H395 IonicContact OD2-CE1 3.66Å; D376-H395 IonicContact OD2-ND1 2.71Å; D376-H395 PolarHBondContact OD2-ND1 2.02Å; H395-T402 PolarHBondContact O-N 2.89Å; H395-T402 PolarHBondContact O-OG1 2.81Å; H395-S406 WeakPolarHBondContact CD2-CB 3.43Å; H395-S406 PolarHBondContact CD2-OG 3Å; H395-S406 VanDerWaalsContact NE2-CB 3.31Å; H395-S406 WeakPolarHBondContact NE2-CB 3.5Å; H395-S406 PolarHBondContact NE2-OG 2.68Å
396	G	93.6	Very high	93.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	170.5	165.2	0	0	0	0	0	112.4	D376 G400	D376-G396 PolarHBondContact OD1-N 2.88Å; G396-G400 CarbonylContact C-O 3.55Å; G396-G400 VanDerWaalsContact CA-O 3.27Å; G396-G400 WeakPolarHBondContact CA-O 3.36Å
397	D	92.8	Very high	93.7	Very high	31 Å²	31	33.6 Å²	33.6	17%	0.166	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	-179.5	154.9	66.2	28.9	0	0	0	110.4	N309 T399 G400 K600	N309-D397 WeakPolarHBondContact CA-O 3.33Å; D397-T399 PolarHBondContact O-N 3.13Å; D397-T399 WeakPolarHBondContact OD1-CA 3.34Å; D397-T399 WeakPolarHBondContact OD1-CB 3.16Å; D397-T399 PolarHBondContact OD1-N 3.09Å; D397-T399 PolarHBondContact OD1-OG1 2.71Å; D397-G400 PolarHBondContact N-O 2.64Å; D397-G400 CarbonylContact O-C 3.58Å; D397-G400 WeakPolarHBondContact O-CA 3.24Å; D397-G400 PolarHBondContact O-N 2.66Å; D397-K600 IonicContact OD2-NZ 3.23Å; D397-K600 PolarHBondContact OD2-NZ 3.02Å
398	A	92.9	Very high	93.6	Very high	68 Å²	68	30.9 Å²	30.9	56%	0.562	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-7.6	177	0	0	0	0	0	115.7	Y374	Y374-A398 HydrophobicContact CE1-CB 4.34Å
399	T	91.8	Very high	93.6	Very high	96 Å²	96	30.8 Å²	30.8	59%	0.589	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.3	9.8	173.4	73.7	0	0	0	0	113.3	N346 D397	N346-T399 PolarHBondContact ND2-O 2.97Å; D397-T399 PolarHBondContact O-N 3.13Å; D397-T399 WeakPolarHBondContact OD1-CA 3.34Å; D397-T399 WeakPolarHBondContact OD1-CB 3.16Å; D397-T399 PolarHBondContact OD1-N 3.09Å; D397-T399 PolarHBondContact OD1-OG1 2.71Å
400	G	92.9	Very high	93.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102.6	-90.1	-172.3	0	0	0	0	0	110.3	L308 G396 D397	L308-G400 VanDerWaalsContact CB-O 3.3Å; L308-G400 WeakPolarHBondContact CB-O 3.36Å; G396-G400 CarbonylContact C-O 3.55Å; G396-G400 VanDerWaalsContact CA-O 3.27Å; G396-G400 WeakPolarHBondContact CA-O 3.36Å; D397-G400 PolarHBondContact N-O 2.64Å; D397-G400 CarbonylContact O-C 3.58Å; D397-G400 WeakPolarHBondContact O-CA 3.24Å; D397-G400 PolarHBondContact O-N 2.66Å
401	I	93.7	Very high	93.3	Very high	8 Å²	8	31.3 Å²	31.3	4%	0.041	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	136.8	-168.1	-171.5	157.6	0	0	0	112.6	L308 L317 V334 L349 V377 R403	L308-I401 HydrophobicContact CD1-CB 4.28Å; L308-I401 HydrophobicContact CD2-CD1 4.28Å; L317-I401 HydrophobicContact CD2-CD1 4.46Å; V334-I401 HydrophobicContact CB-CG2 4.48Å; V334-I401 HydrophobicContact CG1-CG2 3.95Å; V334-I401 HydrophobicContact CG2-CG2 4.13Å; L349-I401 HydrophobicContact CD1-CD1 3.89Å; L349-I401 HydrophobicContact CD2-CG2 4.44Å; V377-I401 HydrophobicContact CG2-CD1 3.56Å; I401-R403 PolarHBondContact O-N 2.8Å
402	T	91.8	Very high	93.1	Very high	21 Å²	21	37 Å²	37	13%	0.129	18%	0.18	C	C	.	.			trans	-69.2	105.9	176.6	-57.2	0	0	0	0	109.2	Y394 H395 K404 W598 K600	Y394-T402 WeakPolarHBondContact CD1-O 3.27Å; H395-T402 PolarHBondContact O-N 2.89Å; H395-T402 PolarHBondContact O-OG1 2.81Å; T402-K404 CarbonylContact O-C 3.56Å; T402-K404 PolarHBondContact O-N 3.01Å; T402-W598 HydrophobicContact CG2-CH2 4.22Å; T402-W598 HydrophobicContact CG2-CZ3 4.45Å; T402-K600 PolarHBondContact OG1-NZ 3.26Å
403	R	90.7	Very high	92.7	Very high	160 Å²	160	40.4 Å²	40.4	60%	0.604	20%	0.204	S	C	*	.	S	Bend	trans	-56.6	-13.8	-173.8	-68.4	-173	-177.9	171.7	0.8	116.4	N346 L349 I401	N346-R403 PolarHBondContact O-NH2 3.05Å; L349-R403 HydrophobicContact CD2-CB 4.47Å; I401-R403 PolarHBondContact O-N 2.8Å
404	K	90.5	Very high	92.5	Very high	149 Å²	149	41.1 Å²	41.1	65%	0.648	21%	0.208	S	C	*	.	S	Bend	trans	-105.6	126.7	171.3	-177.9	-178.8	176	178.6	0	108.9	T402	T402-K404 CarbonylContact O-C 3.56Å; T402-K404 PolarHBondContact O-N 3.01Å
405	Y	92	Very high	92.3	Very high	54 Å²	54	43 Å²	43	21%	0.212	22%	0.222	C	C	.	.			trans	-54.1	144.8	174.2	66.7	-101.6	0	0	0	111.7	D352 Y392 I393 M407 K408	D352-Y405 WeakPolarHBondContact OD1-CE1 3.41Å; D352-Y405 PolarHBondContact OD1-OH 2.82Å; Y392-Y405 AromaticContact CD1-CD1 3.57Å; Y392-Y405 HydrophobicContact CD1-CD1 3.57Å; Y392-Y405 HydrophobicContact CD1-CD2 4.1Å; Y392-Y405 AromaticContact CD1-CE1 3.78Å; Y392-Y405 HydrophobicContact CD1-CE1 3.78Å; Y392-Y405 HydrophobicContact CD1-CE2 4.32Å; Y392-Y405 AromaticContact CD1-CG 3.75Å; Y392-Y405 HydrophobicContact CD1-CG 3.75Å; Y392-Y405 AromaticContact CE1-CD1 3.99Å; Y392-Y405 HydrophobicContact CE1-CD1 3.99Å; Y392-Y405 AromaticContact CE1-CE1 3.72Å; Y392-Y405 HydrophobicContact CE1-CE1 3.72Å; I393-Y405 CarbonylContact O-C 3.59Å; I393-Y405 VanDerWaalsContact O-CA 3.24Å; I393-Y405 WeakPolarHBondContact O-CA 3.42Å; I393-Y405 VanDerWaalsContact O-CB 3.3Å; I393-Y405 WeakPolarHBondContact O-CB 3.45Å; Y405-M407 WeakPolarHBondContact CD2-O 3.47Å; Y405-K408 HydrophobicContact CE2-CB 4.12Å
406	S	89	Confident	92.1	Very high	16 Å²	16	48.6 Å²	48.6	11%	0.112	26%	0.258	C	S	.	.	S	Bend	trans	-85.8	-31.9	174.9	58.1	0	0	0	0	112.3	I393 H395	I393-S406 PolarHBondContact O-N 2.84Å; I393-S406 PolarHBondContact O-OG 2.86Å; H395-S406 WeakPolarHBondContact CD2-CB 3.43Å; H395-S406 PolarHBondContact CD2-OG 3Å; H395-S406 VanDerWaalsContact NE2-CB 3.31Å; H395-S406 WeakPolarHBondContact NE2-CB 3.5Å; H395-S406 PolarHBondContact NE2-OG 2.68Å
407	M	90.4	Very high	92	Very high	1 Å²	1	51 Å²	51	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.1	-177.7	-59.3	-179.1	-83.8	0	0	112.5	S26 Y27 N28 I29 I369 Y392 I393 Y405 L409	S26-M407 PolarHBondContact OG-SD 2.86Å; S26-M407 VanDerWaalsContact OG-SD 3.4Å; Y27-M407 VanDerWaalsContact N-CG 3.32Å; Y27-M407 PolarHBondContact N-SD 2.8Å; N28-M407 WeakPolarHBondContact OD1-CE 3.4Å; N28-M407 PolarHBondContact OD1-SD 2.65Å; N28-M407 VanDerWaalsContact OD1-SD 3.33Å; I29-M407 HydrophobicContact CB-SD 4.28Å; I29-M407 HydrophobicContact CD1-CE 3.78Å; I29-M407 HydrophobicContact CD1-SD 4.25Å; I29-M407 HydrophobicContact CG1-CE 3.98Å; I29-M407 HydrophobicContact CG1-SD 4.14Å; I369-M407 HydrophobicContact CD1-CE 3.66Å; Y392-M407 WeakPolarHBondContact CA-O 3.37Å; I393-M407 HydrophobicContact CB-CB 4.15Å; I393-M407 HydrophobicContact CB-CE 3.81Å; I393-M407 HydrophobicContact CG1-CB 4.12Å; I393-M407 HydrophobicContact CG1-CE 3.88Å; I393-M407 HydrophobicContact CG2-CE 3.77Å; I393-M407 PolarHBondContact N-O 2.59Å; Y405-M407 WeakPolarHBondContact CD2-O 3.47Å; M407-L409 HydrophobicContact CB-CD2 4.41Å
408	K	94.6	Very high	92.1	Very high	37 Å²	37	49.9 Å²	49.9	16%	0.161	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.7	165.1	-177.9	-175.6	-174.2	175.2	0	109.3	D352 E384 Y392 Y405	D352-K408 VanDerWaalsContact OD2-CD 3.27Å; D352-K408 WeakPolarHBondContact OD2-CD 3.38Å; D352-K408 WeakPolarHBondContact OD2-CE 3.08Å; D352-K408 IonicContact OD2-NZ 3.65Å; D352-K408 PolarHBondContact OD2-NZ 3.01Å; E384-K408 WeakPolarHBondContact OE1-CE 3.42Å; E384-K408 IonicContact OE1-NZ 3.66Å; E384-K408 PolarHBondContact OE1-NZ 2.98Å; Y392-K408 HydrophobicContact CD1-CB 4.11Å; Y392-K408 HydrophobicContact CD1-CD 4.47Å; Y392-K408 HydrophobicContact CD1-CG 4.06Å; Y392-K408 HydrophobicContact CE1-CB 4.12Å; Y392-K408 HydrophobicContact CE1-CD 3.69Å; Y392-K408 HydrophobicContact CE1-CG 3.76Å; Y392-K408 VanDerWaalsContact OH-CE 3.24Å; Y392-K408 WeakPolarHBondContact OH-CE 3.4Å; Y392-K408 PolarHBondContact OH-NZ 2.82Å; Y405-K408 HydrophobicContact CE2-CB 4.12Å
409	L	95	Very high	92.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	100.6	179.1	-42.1	175	0	0	0	107.1	I29 L31 A390 V391 I393 M407 F421 I441 L452	I29-L409 HydrophobicContact CD1-CD1 3.99Å; L31-L409 HydrophobicContact CD1-CD2 4.48Å; L31-L409 HydrophobicContact CD2-CD2 4.18Å; A390-L409 CarbonylContact C-O 3.57Å; A390-L409 VanDerWaalsContact CA-O 3.3Å; A390-L409 WeakPolarHBondContact CA-O 3.38Å; V391-L409 HydrophobicContact CB-CB 4.41Å; V391-L409 HydrophobicContact CB-CD1 4.43Å; V391-L409 HydrophobicContact CG1-CD1 4.4Å; V391-L409 PolarHBondContact N-O 2.76Å; V391-L409 PolarHBondContact O-N 2.59Å; I393-L409 HydrophobicContact CD1-CD1 4.09Å; I393-L409 HydrophobicContact CG1-CD1 4.19Å; I393-L409 HydrophobicContact CG1-CG 4.49Å; M407-L409 HydrophobicContact CB-CD2 4.41Å; L409-F421 HydrophobicContact CB-CE1 4.28Å; L409-F421 WeakPolarHBondContact O-CE1 3.41Å; L409-I441 HydrophobicContact CD1-CD1 4.06Å; L409-L452 HydrophobicContact CD1-CD1 3.94Å
410	S	94.5	Very high	92.6	Very high	10 Å²	10	46.8 Å²	46.8	7%	0.07	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	130.5	174.2	174.2	0	0	0	0	110.1	D385 R412 S413 V414	D385-S410 PolarHBondContact OD2-OG 2.95Å; S410-R412 PolarHBondContact O-N 3.05Å; S410-R412 PolarHBondContact OG-N 2.82Å; S410-S413 WeakPolarHBondContact O-CB 3.36Å; S410-S413 PolarHBondContact O-N 3.47Å; S410-V414 PolarHBondContact O-N 2.86Å
411	G	94.5	Very high	92.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.6	-37.7	177.2	0	0	0	0	0	112	G389 S413 V414 S415	G389-G411 PolarHBondContact O-N 3.01Å; G411-S413 VanDerWaalsContact C-N 3.26Å; G411-S413 PolarHBondContact O-N 3.02Å; G411-V414 PolarHBondContact O-N 2.82Å; G411-V414 VanDerWaalsContact O-N 3.16Å; G411-S415 CarbonylContact O-C 3.52Å; G411-S415 PolarHBondContact O-N 2.83Å
412	R	92.4	Very high	93	Very high	119 Å²	119	46.4 Å²	46.4	45%	0.449	24%	0.243	S	C	.	.	H	α-helix	trans	-64.1	-29.3	176.5	-63.9	-170.7	179.8	-137.7	-3.4	113	D385 D386 S410	D385-R412 HydrophobicContact CB-CG 4.45Å; D385-R412 PolarHBondContact O-NE 2.76Å; D385-R412 PolarHBondContact O-NH2 2.91Å; D386-R412 PolarHBondContact O-NH2 3.43Å; D386-R412 IonicContact OD2-NH2 3.3Å; S410-R412 PolarHBondContact O-N 3.05Å; S410-R412 PolarHBondContact OG-N 2.82Å
413	S	90.4	Very high	93.2	Very high	72 Å²	72	47 Å²	47	50%	0.503	24%	0.244	S	C	.	.	H	α-helix	trans	-78.1	-32.4	174.8	-56.6	0	0	0	0	112.8	S410 G411	S410-S413 WeakPolarHBondContact O-CB 3.36Å; S410-S413 PolarHBondContact O-N 3.47Å; G411-S413 VanDerWaalsContact C-N 3.26Å; G411-S413 PolarHBondContact O-N 3.02Å
414	V	91.3	Very high	93.6	Very high	16 Å²	16	40.1 Å²	40.1	10%	0.097	22%	0.22	C	C	.	.	H	α-helix	trans	-73.6	-46.8	176.9	172	0	0	0	0	111.4	L31 P34 S410 G411 L418 F421 V450 L452	L31-V414 HydrophobicContact CD2-CG2 3.92Å; P34-V414 HydrophobicContact CB-CG1 4Å; P34-V414 HydrophobicContact CG-CG1 4.28Å; S410-V414 PolarHBondContact O-N 2.86Å; G411-V414 PolarHBondContact O-N 2.82Å; G411-V414 VanDerWaalsContact O-N 3.16Å; V414-L418 HydrophobicContact CB-CD1 4.07Å; V414-L418 HydrophobicContact CG1-CD1 3.84Å; V414-F421 HydrophobicContact CG2-CZ 4.22Å; V414-V450 HydrophobicContact CG1-CG1 3.86Å; V414-V450 HydrophobicContact CG1-CG2 4.14Å; V414-L452 HydrophobicContact CG1-CD2 4.37Å; V414-L452 HydrophobicContact CG2-CD2 4.48Å
415	S	90.7	Very high	94	Very high	41 Å²	41	34 Å²	34	29%	0.287	19%	0.194	S	C	.	.			trans	-162	123.7	172.8	173.2	0	0	0	0	110	G411 G417 L418	G411-S415 CarbonylContact O-C 3.52Å; G411-S415 PolarHBondContact O-N 2.83Å; S415-G417 PolarHBondContact O-N 2.83Å; S415-L418 PolarHBondContact O-N 3.05Å; S415-L418 VanDerWaalsContact O-N 3.08Å
416	P	88.5	Confident	94.2	Very high	121 Å²	121	32 Å²	32	79%	0.786	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-12.3	-174	-28.4	35.8	0	0	0	116.8
417	G	91.6	Very high	94.4	Very high	52 Å²	52	31.7 Å²	31.7	54%	0.536	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-3.3	178.6	0	0	0	0	0	115.4	S415 A446	S415-G417 PolarHBondContact O-N 2.83Å; G417-A446 VanDerWaalsContact O-CB 3.31Å; G417-A446 WeakPolarHBondContact O-CB 3.36Å
418	L	95.4	Very high	94.5	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.031	21%	0.205	C	C	.	.			trans	-73.1	142.9	-178.6	-65.4	170.1	0	0	0	111.7	V414 S415 F421 A443 V450	V414-L418 HydrophobicContact CB-CD1 4.07Å; V414-L418 HydrophobicContact CG1-CD1 3.84Å; S415-L418 PolarHBondContact O-N 3.05Å; S415-L418 VanDerWaalsContact O-N 3.08Å; L418-F421 HydrophobicContact CD1-CD2 3.97Å; L418-F421 HydrophobicContact CD1-CE2 4.29Å; L418-A443 HydrophobicContact CB-CB 4.3Å; L418-A443 HydrophobicContact CD2-CB 3.75Å; L418-V450 HydrophobicContact CD1-CG2 3.75Å; L418-V450 HydrophobicContact CD2-CG2 4.1Å
419	Q	96.7	Very high	94.4	Very high	87 Å²	87	34.3 Å²	34.3	41%	0.407	20%	0.2	S	C	.	.			trans	-141	142.2	176.9	-65.6	-174.3	6.1	0	0	111.1	Y387 F421 A443 M445 A446	Y387-Q419 CarbonylContact O-C 3.18Å; Y387-Q419 WeakPolarHBondContact O-CA 3.46Å; Q419-F421 PolarHBondContact O-N 2.79Å; Q419-A443 CarbonylContact O-C 3.46Å; Q419-A443 VanDerWaalsContact O-CA 3.28Å; Q419-A443 WeakPolarHBondContact O-CA 3.24Å; Q419-A443 WeakPolarHBondContact O-CB 3.48Å; Q419-M445 HydrophobicContact CB-CB 3.66Å; Q419-A446 HydrophobicContact CB-CB 4.43Å
420	M	97.3	Very high	94.3	Very high	13 Å²	13	35.8 Å²	35.8	6%	0.064	21%	0.208	C	C	.	.	S	Bend	trans	56.4	33.7	-169.9	-63	-69	-71.2	0	0	113.2	P382 K383 Y387 G422 Q423 F444 M445	P382-M420 HydrophobicContact CB-CB 4.32Å; P382-M420 HydrophobicContact CB-CE 3.94Å; P382-M420 HydrophobicContact CB-SD 4.18Å; P382-M420 HydrophobicContact CG-CE 4.06Å; P382-M420 WeakPolarHBondContact O-CA 3.49Å; K383-M420 HydrophobicContact CG-CE 4.4Å; K383-M420 HydrophobicContact CG-SD 4.05Å; Y387-M420 HydrophobicContact CD1-SD 3.78Å; Y387-M420 HydrophobicContact CE1-SD 4.43Å; Y387-M420 PolarHBondContact O-N 2.91Å; M420-G422 PolarHBondContact O-N 2.83Å; M420-Q423 HydrophobicContact CB-CB 4.44Å; M420-Q423 WeakPolarHBondContact O-CB 3.5Å; M420-Q423 PolarHBondContact O-N 2.82Å; M420-F444 HydrophobicContact CB-CD1 3.66Å; M420-F444 HydrophobicContact CB-CE1 3.48Å; M420-F444 VanDerWaalsContact CB-CE1 3.48Å; M420-F444 HydrophobicContact CB-CZ 4.36Å; M420-F444 HydrophobicContact CE-CE1 3.76Å; M420-F444 HydrophobicContact CE-CZ 4.24Å; M420-F444 HydrophobicContact CG-CD1 4.24Å; M420-F444 HydrophobicContact CG-CE1 3.6Å; M420-F444 HydrophobicContact CG-CZ 4.03Å; M420-M445 HydrophobicContact CB-CB 4.41Å; M420-M445 HydrophobicContact CB-CG 4.41Å; M420-M445 HydrophobicContact CG-CB 4.04Å; M420-M445 HydrophobicContact CG-CG 3.7Å; M420-M445 HydrophobicContact CG-SD 3.46Å; M420-M445 WeakPolarHBondContact CG-SD 3.43Å; M420-M445 HydrophobicContact SD-SD 4.36Å
421	F	98.3	Very high	94.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	119.4	176.7	-179.9	-97	0	0	0	110.2	P382 G388 G389 A390 V391 L409 V414 L418 Q419 I441 G442 A443 V450 L452	P382-F421 WeakPolarHBondContact CA-O 3.24Å; G388-F421 VanDerWaalsContact O-CB 3.26Å; G388-F421 WeakPolarHBondContact O-CB 3.41Å; G389-F421 CarbonylContact C-O 3.54Å; G389-F421 WeakPolarHBondContact CA-O 3.38Å; A390-F421 PolarHBondContact N-O 2.87Å; V391-F421 HydrophobicContact CB-CE1 4.35Å; V391-F421 HydrophobicContact CG2-CD1 4.23Å; V391-F421 HydrophobicContact CG2-CE1 3.99Å; L409-F421 HydrophobicContact CB-CE1 4.28Å; L409-F421 WeakPolarHBondContact O-CE1 3.41Å; V414-F421 HydrophobicContact CG2-CZ 4.22Å; L418-F421 HydrophobicContact CD1-CD2 3.97Å; L418-F421 HydrophobicContact CD1-CE2 4.29Å; Q419-F421 PolarHBondContact O-N 2.79Å; F421-I441 HydrophobicContact CD1-CG2 4.14Å; F421-I441 HydrophobicContact CD2-CB 4.38Å; F421-I441 HydrophobicContact CD2-CG2 3.66Å; F421-I441 HydrophobicContact CE1-CD1 3.97Å; F421-I441 HydrophobicContact CE1-CG2 4.02Å; F421-I441 HydrophobicContact CE2-CB 3.81Å; F421-I441 HydrophobicContact CE2-CD1 4.16Å; F421-I441 HydrophobicContact CE2-CG2 3.53Å; F421-I441 HydrophobicContact CG-CG2 3.98Å; F421-I441 HydrophobicContact CZ-CB 4.01Å; F421-I441 HydrophobicContact CZ-CD1 3.46Å; F421-I441 VanDerWaalsContact CZ-CD1 3.46Å; F421-I441 HydrophobicContact CZ-CG1 4.32Å; F421-I441 HydrophobicContact CZ-CG2 3.73Å; F421-G442 WeakPolarHBondContact CA-O 3.46Å; F421-A443 HydrophobicContact CB-CB 4.3Å; F421-A443 HydrophobicContact CD2-CB 4.39Å; F421-V450 HydrophobicContact CD2-CG2 4.39Å; F421-V450 HydrophobicContact CE2-CB 4.24Å; F421-V450 HydrophobicContact CE2-CG2 3.96Å; F421-L452 HydrophobicContact CZ-CD1 4.45Å
422	G	97.6	Very high	94	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.8	8.6	-172.5	0	0	0	0	0	114.4	S362 M420 S424 I441 G442	S362-G422 PolarHBondContact OG-O 3.49Å; M420-G422 PolarHBondContact O-N 2.83Å; G422-S424 VanDerWaalsContact C-N 3.26Å; G422-S424 PolarHBondContact O-N 2.89Å; G422-I441 VanDerWaalsContact N-CG2 3.31Å; G422-G442 PolarHBondContact N-O 2.62Å
423	Q	97.1	Very high	93.8	Very high	32 Å²	32	33.1 Å²	33.1	15%	0.15	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	-35.1	172.2	178.2	63.8	80.3	0	0	112.1	S362 P382 M420 F444	S362-Q423 WeakPolarHBondContact CB-O 3.49Å; P382-Q423 HydrophobicContact CB-CB 4.39Å; M420-Q423 HydrophobicContact CB-CB 4.44Å; M420-Q423 WeakPolarHBondContact O-CB 3.5Å; M420-Q423 PolarHBondContact O-N 2.82Å; Q423-F444 HydrophobicContact CB-CD1 3.73Å; Q423-F444 HydrophobicContact CB-CE1 4.01Å; Q423-F444 HydrophobicContact CG-CD1 3.57Å; Q423-F444 HydrophobicContact CG-CE1 3.63Å
424	S	98.3	Very high	93.7	Very high	16 Å²	16	30.8 Å²	30.8	11%	0.112	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	148.4	172.4	56.6	0	0	0	0	109.8	G46 Y47 S48 G422 G442	G46-S424 PolarHBondContact O-OG 2.96Å; Y47-S424 VanDerWaalsContact O-CB 3.28Å; Y47-S424 WeakPolarHBondContact O-CB 3.22Å; Y47-S424 PolarHBondContact O-OG 2.92Å; S48-S424 WeakPolarHBondContact CA-OG 3.45Å; G422-S424 VanDerWaalsContact C-N 3.26Å; G422-S424 PolarHBondContact O-N 2.89Å; S424-G442 PolarHBondContact O-N 3.11Å
425	I	98.5	Very high	93.5	Very high	20 Å²	20	30.4 Å²	30.4	10%	0.103	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	139.8	-175.8	-51.5	172.4	0	0	0	108.2	S362 A364 A378 V391 V439 T440 I441	S362-I425 WeakPolarHBondContact OG-CD1 3.36Å; A364-I425 HydrophobicContact CB-CB 3.86Å; A364-I425 HydrophobicContact CB-CG2 3.95Å; A378-I425 HydrophobicContact CB-CD1 4Å; A378-I425 HydrophobicContact CB-CG2 3.97Å; V391-I425 HydrophobicContact CB-CD1 4.48Å; V391-I425 HydrophobicContact CG1-CD1 3.76Å; V391-I425 HydrophobicContact CG2-CD1 3.85Å; V391-I425 HydrophobicContact CG2-CG1 4.38Å; I425-V439 HydrophobicContact CG2-CG1 3.9Å; I425-T440 CarbonylContact C-O 3.5Å; I425-T440 VanDerWaalsContact CA-O 3.3Å; I425-T440 WeakPolarHBondContact CA-O 3.42Å; I425-I441 HydrophobicContact CG2-CG1 4.33Å
426	S	96.8	Very high	93.6	Very high	12 Å²	12	28.6 Å²	28.6	8%	0.084	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	157.2	168.7	-178	0	0	0	0	109.3	E51 T440	E51-S426 PolarHBondContact N-OG 3.23Å; S426-T440 PolarHBondContact N-O 2.8Å; S426-T440 PolarHBondContact O-N 2.76Å
427	G	93.8	Very high	93.8	Very high	10 Å²	10	23.5 Å²	23.5	10%	0.103	15%	0.15	C	C	.	.			trans	-164.2	-156.4	174.3	0	0	0	0	0	110.4	E51 V429 D438	E51-G427 WeakPolarHBondContact OE2-CA 3.39Å; G427-V429 PolarHBondContact O-N 2.87Å; G427-D438 WeakPolarHBondContact CA-O 3.36Å
428	K	91.6	Very high	94	Very high	83 Å²	83	21 Å²	21	36%	0.361	12%	0.124	S	C	.	.	S	Bend	trans	67.2	10.6	-174.9	-50.4	-171.7	178.6	-170.3	0	115	A365 I366	A365-K428 WeakPolarHBondContact O-CE 3.49Å; A365-K428 WeakPolarHBondContact O-CG 3.13Å; I366-K428 WeakPolarHBondContact O-CA 3.39Å; I366-K428 PolarHBondContact O-N 3.39Å
429	V	91.9	Very high	94.1	Very high	10 Å²	10	20.8 Å²	20.8	6%	0.061	12%	0.123	C	C	.	.	S	Bend	trans	-124.2	123.9	175.8	-167.4	0	0	0	0	109.3	E51 F53 R58 G427 M431 D438	E51-V429 HydrophobicContact CB-CB 3.85Å; E51-V429 HydrophobicContact CB-CG2 3.62Å; E51-V429 WeakPolarHBondContact OE2-CB 3.49Å; E51-V429 PolarHBondContact OE2-N 2.61Å; F53-V429 HydrophobicContact CB-CG1 4.3Å; R58-V429 VanDerWaalsContact NH1-CG1 3.3Å; G427-V429 PolarHBondContact O-N 2.87Å; V429-M431 HydrophobicContact CB-CG 4.24Å; V429-M431 HydrophobicContact CB-SD 3.94Å; V429-M431 HydrophobicContact CG1-CG 4.23Å; V429-M431 HydrophobicContact CG1-SD 3.49Å; V429-M431 WeakPolarHBondContact CG1-SD 3.22Å; V429-M431 WeakPolarHBondContact O-CG 3.39Å; V429-M431 PolarHBondContact O-N 3.24Å; V429-D438 PolarHBondContact O-N 3.02Å
430	D	93.1	Very high	94.1	Very high	31 Å²	31	16.7 Å²	16.7	17%	0.166	10%	0.104	C	C	.	.			trans	-64.6	115.8	162.2	173.3	0.2	0	0	0	108.2	R58 D432 G433 N434 G435 Y436	R58-D430 WeakPolarHBondContact CD-O 3.21Å; R58-D430 PolarHBondContact NE-O 3.06Å; R58-D430 PolarHBondContact NH1-O 3.43Å; D430-D432 PolarHBondContact OD1-N 2.88Å; D430-G433 WeakPolarHBondContact OD1-CA 3.3Å; D430-G433 PolarHBondContact OD1-N 3Å; D430-G433 WeakPolarHBondContact OD2-CA 3.35Å; D430-N434 PolarHBondContact OD1-N 3.18Å; D430-G435 WeakPolarHBondContact OD2-CA 3.47Å; D430-G435 PolarHBondContact OD2-N 2.89Å; D430-Y436 WeakPolarHBondContact CA-O 3.5Å; D430-Y436 WeakPolarHBondContact CB-O 3.31Å
431	M	92.4	Very high	94.2	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-108.2	-16	-172.9	-64.1	-69.1	-89.4	0	0	113.8	E51 R58 W59 L60 V86 H87 V429 D438 L451	E51-M431 HydrophobicContact CB-CE 4.09Å; E51-M431 HydrophobicContact CB-SD 4.15Å; E51-M431 HydrophobicContact CG-CE 3.97Å; E51-M431 HydrophobicContact CG-CG 4.26Å; E51-M431 HydrophobicContact CG-SD 4.29Å; R58-M431 HydrophobicContact CB-CE 4.18Å; R58-M431 HydrophobicContact CB-SD 3.82Å; R58-M431 WeakPolarHBondContact CG-O 3.47Å; R58-M431 HydrophobicContact CG-SD 4.27Å; W59-M431 VanDerWaalsContact O-CE 3.32Å; W59-M431 WeakPolarHBondContact O-CE 3.41Å; L60-M431 HydrophobicContact CD2-CE 3.52Å; L60-M431 HydrophobicContact CG-CE 4.13Å; V86-M431 WeakPolarHBondContact CG1-O 3.48Å; V86-M431 HydrophobicContact CG2-CE 3.66Å; H87-M431 PolarHBondContact CE1-O 2.87Å; H87-M431 VanDerWaalsContact CE1-O 3.28Å; V429-M431 HydrophobicContact CB-CG 4.24Å; V429-M431 HydrophobicContact CB-SD 3.94Å; V429-M431 HydrophobicContact CG1-CG 4.23Å; V429-M431 HydrophobicContact CG1-SD 3.49Å; V429-M431 WeakPolarHBondContact CG1-SD 3.22Å; V429-M431 WeakPolarHBondContact O-CG 3.39Å; V429-M431 PolarHBondContact O-N 3.24Å; M431-D438 VanDerWaalsContact CA-OD2 3.28Å; M431-D438 WeakPolarHBondContact CA-OD2 3.13Å; M431-D438 HydrophobicContact CB-CB 4.15Å; M431-D438 VanDerWaalsContact CB-OD2 3.25Å; M431-D438 WeakPolarHBondContact CB-OD2 3.23Å; M431-D438 HydrophobicContact CG-CB 4.24Å; M431-D438 PolarHBondContact N-OD2 2.8Å; M431-L451 HydrophobicContact CB-CD1 4.14Å; M431-L451 HydrophobicContact CB-CD2 3.94Å; M431-L451 HydrophobicContact CG-CD1 4.3Å
432	D	90.3	Very high	94.2	Very high	24 Å²	24	16 Å²	16	13%	0.128	10%	0.101	C	C	.	.	S	Bend	trans	-107.3	-11.9	173.6	87.7	-7.5	0	0	0	115.6	H87 D430 N434 D438 R453 L589	H87-D432 PolarHBondContact NE2-O 3.41Å; D430-D432 PolarHBondContact OD1-N 2.88Å; D432-N434 WeakPolarHBondContact OD1-CB 3.32Å; D432-N434 PolarHBondContact OD1-N 3.38Å; D432-N434 VanDerWaalsContact OD1-N 3.07Å; D432-N434 PolarHBondContact OD1-ND2 2.85Å; D432-N434 PolarHBondContact OD2-ND2 3.03Å; D432-D438 PolarHBondContact N-OD2 3.06Å; D432-R453 WeakPolarHBondContact OD2-CD 3.27Å; D432-R453 IonicContact OD2-CZ 3.27Å; D432-R453 IonicContact OD2-NE 2.71Å; D432-R453 IonicContact OD2-NH1 2.91Å; D432-R453 PolarHBondContact OD2-NH1 3Å; D432-L589 HydrophobicContact CB-CD1 3.63Å
433	G	88.6	Confident	94.2	Very high	49 Å²	49	16 Å²	16	51%	0.505	10%	0.101	S	C	.	.	S	Bend	trans	87.1	30.7	179.2	0	0	0	0	0	114.5	D430	D430-G433 WeakPolarHBondContact OD1-CA 3.3Å; D430-G433 PolarHBondContact OD1-N 3Å; D430-G433 WeakPolarHBondContact OD2-CA 3.35Å
434	N	87.4	Confident	94.2	Very high	23 Å²	23	15.3 Å²	15.3	12%	0.123	10%	0.097	C	C	.	.	S	Bend	trans	-97.9	-1.9	178.9	76.8	42.6	0	0	0	114.9	D430 D432 Y436 S454	D430-N434 PolarHBondContact OD1-N 3.18Å; D432-N434 WeakPolarHBondContact OD1-CB 3.32Å; D432-N434 PolarHBondContact OD1-N 3.38Å; D432-N434 VanDerWaalsContact OD1-N 3.07Å; D432-N434 PolarHBondContact OD1-ND2 2.85Å; D432-N434 PolarHBondContact OD2-ND2 3.03Å; N434-Y436 WeakPolarHBondContact OD1-CB 3.36Å; N434-Y436 VanDerWaalsContact OD1-CD2 3.29Å; N434-Y436 WeakPolarHBondContact OD1-CD2 3.24Å; N434-Y436 PolarHBondContact OD1-N 2.87Å; N434-S454 PolarHBondContact ND2-O 2.94Å
435	G	88.9	Confident	94.1	Very high	8 Å²	8	18.6 Å²	18.6	8%	0.082	11%	0.112	C	C	.	.	S	Bend	trans	93.6	-10.7	177.3	0	0	0	0	0	115.6	D430 R498	D430-G435 WeakPolarHBondContact OD2-CA 3.47Å; D430-G435 PolarHBondContact OD2-N 2.89Å; G435-R498 PolarHBondContact O-NE 2.89Å; G435-R498 PolarHBondContact O-NH2 3.21Å
436	Y	91.9	Very high	94	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.016	12%	0.117	C	C	.	.	S	Bend	trans	-101	155.7	175.8	-62.6	-106.9	0	0	0	110.5	I369 D371 D430 N434 P456 V457 R498	I369-Y436 WeakPolarHBondContact O-CD1 3.43Å; D371-Y436 HydrophobicContact CB-CD1 4.48Å; D371-Y436 HydrophobicContact CB-CE1 3.73Å; D430-Y436 WeakPolarHBondContact CA-O 3.5Å; D430-Y436 WeakPolarHBondContact CB-O 3.31Å; N434-Y436 WeakPolarHBondContact OD1-CB 3.36Å; N434-Y436 VanDerWaalsContact OD1-CD2 3.29Å; N434-Y436 WeakPolarHBondContact OD1-CD2 3.24Å; N434-Y436 PolarHBondContact OD1-N 2.87Å; Y436-P456 HydrophobicContact CD2-CB 4.46Å; Y436-P456 HydrophobicContact CD2-CG 4.45Å; Y436-P456 HydrophobicContact CE2-CB 3.71Å; Y436-P456 HydrophobicContact CE2-CG 4.11Å; Y436-V457 HydrophobicContact CE1-CB 4.18Å; Y436-V457 HydrophobicContact CE1-CG2 4.22Å; Y436-V457 PolarHBondContact OH-N 3.03Å; Y436-V457 PolarHBondContact OH-O 2.73Å; Y436-R498 HydrophobicContact CE2-CB 3.9Å; Y436-R498 HydrophobicContact CE2-CG 4.37Å; Y436-R498 WeakPolarHBondContact OH-CB 3.47Å; Y436-R498 PolarHBondContact OH-N 2.86Å; Y436-R498 PolarHBondContact OH-O 2.94Å
437	A	92.8	Very high	94.1	Very high	14 Å²	14	19.3 Å²	19.3	12%	0.116	12%	0.118	C	C	.	.			trans	-78.5	135.3	174.2	0	0	0	0	0	110.9	I366 I369 S454	I366-A437 WeakPolarHBondContact O-CB 3.42Å; I369-A437 HydrophobicContact CG2-CB 4.31Å; I369-A437 WeakPolarHBondContact CG2-O 3.32Å; A437-S454 VanDerWaalsContact O-CB 3.24Å; A437-S454 WeakPolarHBondContact O-CB 3.4Å; A437-S454 PolarHBondContact O-OG 2.89Å
438	D	95.1	Very high	94.2	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.			trans	-90.9	176.1	177.7	-68.3	-36.5	0	0	0	111.8	G427 V429 M431 D432 L451 R453 S454	G427-D438 WeakPolarHBondContact CA-O 3.36Å; V429-D438 PolarHBondContact O-N 3.02Å; M431-D438 VanDerWaalsContact CA-OD2 3.28Å; M431-D438 WeakPolarHBondContact CA-OD2 3.13Å; M431-D438 HydrophobicContact CB-CB 4.15Å; M431-D438 VanDerWaalsContact CB-OD2 3.25Å; M431-D438 WeakPolarHBondContact CB-OD2 3.23Å; M431-D438 HydrophobicContact CG-CB 4.24Å; M431-D438 PolarHBondContact N-OD2 2.8Å; D432-D438 PolarHBondContact N-OD2 3.06Å; D438-L451 HydrophobicContact CB-CD1 3.77Å; D438-R453 WeakPolarHBondContact OD1-CA 3.44Å; D438-S454 PolarHBondContact OD1-N 2.9Å
439	V	97.1	Very high	94.5	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	117.6	-178.5	-170.5	0	0	0	0	111.7	I29 I366 I425 I441 L452	I29-V439 HydrophobicContact CD1-CG2 4.1Å; I366-V439 HydrophobicContact CB-CG2 4.19Å; I366-V439 HydrophobicContact CD1-CG2 4.07Å; I366-V439 HydrophobicContact CG2-CG1 4.15Å; I366-V439 HydrophobicContact CG2-CG2 4.13Å; I425-V439 HydrophobicContact CG2-CG1 3.9Å; V439-I441 HydrophobicContact CG1-CD1 4.24Å; V439-I441 HydrophobicContact CG1-CG1 4.04Å; V439-L452 PolarHBondContact N-O 3.01Å; V439-L452 PolarHBondContact O-N 2.9Å
440	T	97.9	Very high	94.8	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.5	175.8	-60.6	0	0	0	0	111.3	V49 E51 L60 I425 S426 V449 V450	V49-T440 HydrophobicContact CB-CG2 3.95Å; V49-T440 HydrophobicContact CG1-CG2 4.47Å; V49-T440 HydrophobicContact CG2-CG2 4.07Å; E51-T440 VanDerWaalsContact CG-OG1 3.27Å; E51-T440 WeakPolarHBondContact CG-OG1 2.92Å; E51-T440 WeakPolarHBondContact OE1-CB 3.33Å; E51-T440 PolarHBondContact OE1-N 2.81Å; E51-T440 PolarHBondContact OE1-OG1 3.27Å; L60-T440 HydrophobicContact CD2-CG2 3.84Å; L60-T440 WeakPolarHBondContact CD2-OG1 3.32Å; I425-T440 CarbonylContact C-O 3.5Å; I425-T440 VanDerWaalsContact CA-O 3.3Å; I425-T440 WeakPolarHBondContact CA-O 3.42Å; S426-T440 PolarHBondContact N-O 2.8Å; S426-T440 PolarHBondContact O-N 2.76Å; T440-V449 HydrophobicContact CG2-CG2 3.41Å; T440-V449 VanDerWaalsContact CG2-CG2 3.41Å; T440-V450 CarbonylContact C-O 3.59Å; T440-V450 WeakPolarHBondContact CA-O 3.29Å
441	I	98.6	Very high	95	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.2	-174.8	-58.7	166.8	0	0	0	110.7	V391 L409 F421 G422 I425 V439 V449 V450 L452	V391-I441 HydrophobicContact CB-CD1 4.1Å; V391-I441 HydrophobicContact CG1-CD1 4.29Å; V391-I441 HydrophobicContact CG2-CD1 3.89Å; V391-I441 HydrophobicContact CG2-CG1 4.31Å; V391-I441 HydrophobicContact CG2-CG2 3.91Å; L409-I441 HydrophobicContact CD1-CD1 4.06Å; F421-I441 HydrophobicContact CD1-CG2 4.14Å; F421-I441 HydrophobicContact CD2-CB 4.38Å; F421-I441 HydrophobicContact CD2-CG2 3.66Å; F421-I441 HydrophobicContact CE1-CD1 3.97Å; F421-I441 HydrophobicContact CE1-CG2 4.02Å; F421-I441 HydrophobicContact CE2-CB 3.81Å; F421-I441 HydrophobicContact CE2-CD1 4.16Å; F421-I441 HydrophobicContact CE2-CG2 3.53Å; F421-I441 HydrophobicContact CG-CG2 3.98Å; F421-I441 HydrophobicContact CZ-CB 4.01Å; F421-I441 HydrophobicContact CZ-CD1 3.46Å; F421-I441 VanDerWaalsContact CZ-CD1 3.46Å; F421-I441 HydrophobicContact CZ-CG1 4.32Å; F421-I441 HydrophobicContact CZ-CG2 3.73Å; G422-I441 VanDerWaalsContact N-CG2 3.31Å; I425-I441 HydrophobicContact CG2-CG1 4.33Å; V439-I441 HydrophobicContact CG1-CD1 4.24Å; V439-I441 HydrophobicContact CG1-CG1 4.04Å; I441-V449 WeakPolarHBondContact O-CG2 3.5Å; I441-V450 PolarHBondContact N-O 3.45Å; I441-V450 PolarHBondContact O-N 3.22Å; I441-L452 HydrophobicContact CD1-CD1 3.96Å
442	G	98.3	Very high	95.2	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	142.6	175.8	0	0	0	0	0	113.6	G46 F421 G422 S424	G46-G442 WeakPolarHBondContact O-CA 3.15Å; F421-G442 WeakPolarHBondContact CA-O 3.46Å; G422-G442 PolarHBondContact N-O 2.62Å; S424-G442 PolarHBondContact O-N 3.11Å
443	A	97.9	Very high	95.4	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	65.7	178.1	0	0	0	0	0	110.1	L418 Q419 F421 M445 A446 S448	L418-A443 HydrophobicContact CB-CB 4.3Å; L418-A443 HydrophobicContact CD2-CB 3.75Å; Q419-A443 CarbonylContact O-C 3.46Å; Q419-A443 VanDerWaalsContact O-CA 3.28Å; Q419-A443 WeakPolarHBondContact O-CA 3.24Å; Q419-A443 WeakPolarHBondContact O-CB 3.48Å; F421-A443 HydrophobicContact CB-CB 4.3Å; F421-A443 HydrophobicContact CD2-CB 4.39Å; A443-M445 VanDerWaalsContact C-N 3.31Å; A443-M445 PolarHBondContact O-N 3.41Å; A443-A446 PolarHBondContact O-N 3.47Å; A443-S448 CarbonylContact C-O 3.58Å; A443-S448 PolarHBondContact N-O 2.7Å; A443-S448 PolarHBondContact O-N 3Å
444	F	97.4	Very high	95.6	Very high	16 Å²	16	9.7 Å²	9.7	7%	0.07	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-66.3	-23.2	-161.1	81.2	-86.3	0	0	0	116	F44 F45 Y47 M420 Q423 A446 D447	F44-F444 HydrophobicContact CB-CD2 3.89Å; F44-F444 AromaticContact CD1-CD2 3.81Å; F44-F444 HydrophobicContact CD1-CD2 3.81Å; F44-F444 HydrophobicContact CD1-CE2 4.16Å; F44-F444 AromaticContact CD2-CD2 3.75Å; F44-F444 HydrophobicContact CD2-CD2 3.75Å; F44-F444 AromaticContact CD2-CE2 3.79Å; F44-F444 HydrophobicContact CD2-CE2 3.79Å; F44-F444 HydrophobicContact CE1-CD2 4.16Å; F44-F444 HydrophobicContact CE1-CE2 4.05Å; F44-F444 HydrophobicContact CE2-CD2 4.1Å; F44-F444 AromaticContact CE2-CE2 3.66Å; F44-F444 HydrophobicContact CE2-CE2 3.66Å; F44-F444 AromaticContact CG-CD2 3.57Å; F44-F444 HydrophobicContact CG-CD2 3.57Å; F44-F444 HydrophobicContact CG-CE2 4.02Å; F44-F444 HydrophobicContact CZ-CD2 4.27Å; F44-F444 AromaticContact CZ-CE2 3.77Å; F44-F444 HydrophobicContact CZ-CE2 3.77Å; F45-F444 WeakPolarHBondContact O-CA 3.36Å; Y47-F444 HydrophobicContact CD2-CD1 4.33Å; Y47-F444 HydrophobicContact CD2-CD2 4.11Å; Y47-F444 HydrophobicContact CD2-CE2 4.36Å; Y47-F444 HydrophobicContact CD2-CG 4.08Å; M420-F444 HydrophobicContact CB-CD1 3.66Å; M420-F444 HydrophobicContact CB-CE1 3.48Å; M420-F444 VanDerWaalsContact CB-CE1 3.48Å; M420-F444 HydrophobicContact CB-CZ 4.36Å; M420-F444 HydrophobicContact CE-CE1 3.76Å; M420-F444 HydrophobicContact CE-CZ 4.24Å; M420-F444 HydrophobicContact CG-CD1 4.24Å; M420-F444 HydrophobicContact CG-CE1 3.6Å; M420-F444 HydrophobicContact CG-CZ 4.03Å; Q423-F444 HydrophobicContact CB-CD1 3.73Å; Q423-F444 HydrophobicContact CB-CE1 4.01Å; Q423-F444 HydrophobicContact CG-CD1 3.57Å; Q423-F444 HydrophobicContact CG-CE1 3.63Å; F444-A446 PolarHBondContact O-N 2.86Å; F444-D447 PolarHBondContact O-N 3.23Å
445	M	96.8	Very high	95.9	Very high	86 Å²	86	10.9 Å²	10.9	42%	0.424	6%	0.059	S	C	.	.	G	3₁₀ helix	trans	-76.4	-15	175.9	-80	-173.1	57.4	0	0	112.7	Q419 M420 A443	Q419-M445 HydrophobicContact CB-CB 3.66Å; M420-M445 HydrophobicContact CB-CB 4.41Å; M420-M445 HydrophobicContact CB-CG 4.41Å; M420-M445 HydrophobicContact CG-CB 4.04Å; M420-M445 HydrophobicContact CG-CG 3.7Å; M420-M445 HydrophobicContact CG-SD 3.46Å; M420-M445 WeakPolarHBondContact CG-SD 3.43Å; M420-M445 HydrophobicContact SD-SD 4.36Å; A443-M445 VanDerWaalsContact C-N 3.31Å; A443-M445 PolarHBondContact O-N 3.41Å
446	A	96.6	Very high	96	Very high	25 Å²	25	10.9 Å²	10.9	21%	0.207	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-100.8	13.4	168.3	0	0	0	0	0	112.6	G417 Q419 A443 F444 S448	G417-A446 VanDerWaalsContact O-CB 3.31Å; G417-A446 WeakPolarHBondContact O-CB 3.36Å; Q419-A446 HydrophobicContact CB-CB 4.43Å; A443-A446 PolarHBondContact O-N 3.47Å; F444-A446 PolarHBondContact O-N 2.86Å; A446-S448 WeakPolarHBondContact O-CB 3.38Å; A446-S448 PolarHBondContact O-N 3.06Å; A446-S448 VanDerWaalsContact O-N 3.08Å; A446-S448 PolarHBondContact O-OG 3.37Å
447	D	97.5	Very high	96	Very high	21 Å²	21	10.7 Å²	10.7	11%	0.112	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.3	42.3	-173.2	-65.7	-71.1	0	0	0	112.8	G39 P40 S41 S42 S43 F44 F45 F444	G39-D447 PolarHBondContact N-O 3.35Å; P40-D447 VanDerWaalsContact O-CG 3.29Å; S41-D447 WeakPolarHBondContact CA-OD2 3.06Å; S42-D447 PolarHBondContact N-OD2 3.27Å; S43-D447 PolarHBondContact N-OD1 2.91Å; S43-D447 PolarHBondContact OG-OD1 3.03Å; F44-D447 PolarHBondContact N-OD1 2.72Å; F45-D447 HydrophobicContact CB-CB 4.19Å; F45-D447 WeakPolarHBondContact CD1-O 3.12Å; F45-D447 PolarHBondContact N-OD1 2.8Å; F45-D447 CarbonylContact O-C 3.39Å; F45-D447 VanDerWaalsContact O-C 3.26Å; F45-D447 WeakPolarHBondContact O-CA 3.19Å; F444-D447 PolarHBondContact O-N 3.23Å
448	S	97.1	Very high	95.9	Very high	3 Å²	3	10 Å²	10	2%	0.021	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151.9	-168.7	-66.4	0	0	0	0	113.1	F37 F45 A443 A446	F37-S448 WeakPolarHBondContact O-CA 3.4Å; F45-S448 PolarHBondContact O-N 3.39Å; F45-S448 VanDerWaalsContact O-N 3.13Å; A443-S448 CarbonylContact C-O 3.58Å; A443-S448 PolarHBondContact N-O 2.7Å; A443-S448 PolarHBondContact O-N 3Å; A446-S448 WeakPolarHBondContact O-CB 3.38Å; A446-S448 PolarHBondContact O-N 3.06Å; A446-S448 VanDerWaalsContact O-N 3.08Å; A446-S448 PolarHBondContact O-OG 3.37Å
449	V	97.7	Very high	95.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.7	164.4	65.8	0	0	0	0	109.5	V36 F37 F45 V49 V62 T440 I441	V36-V449 WeakPolarHBondContact CA-O 3.06Å; F37-V449 HydrophobicContact CB-CG1 3.82Å; F37-V449 HydrophobicContact CD2-CG1 4.34Å; F37-V449 HydrophobicContact CG-CG1 4.44Å; F37-V449 PolarHBondContact N-O 2.04Å; F37-V449 PolarHBondContact O-N 3.35Å; F45-V449 HydrophobicContact CE1-CB 4.41Å; F45-V449 HydrophobicContact CE1-CG1 3.9Å; F45-V449 HydrophobicContact CZ-CG1 4.36Å; V49-V449 HydrophobicContact CB-CG2 4.31Å; V49-V449 HydrophobicContact CG1-CB 4.27Å; V49-V449 HydrophobicContact CG1-CG2 3.58Å; V62-V449 HydrophobicContact CG2-CB 4.48Å; V62-V449 HydrophobicContact CG2-CG1 3.93Å; T440-V449 HydrophobicContact CG2-CG2 3.41Å; T440-V449 VanDerWaalsContact CG2-CG2 3.41Å; I441-V449 WeakPolarHBondContact O-CG2 3.5Å
450	V	97.7	Very high	95.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.9	173.3	-168.5	0	0	0	0	109.4	P34 V36 V414 L418 F421 T440 I441 L452	P34-V450 HydrophobicContact CB-CG1 3.97Å; V36-V450 HydrophobicContact CG1-CG2 4.45Å; V36-V450 HydrophobicContact CG2-CG1 4.21Å; V36-V450 HydrophobicContact CG2-CG2 4.13Å; V414-V450 HydrophobicContact CG1-CG1 3.86Å; V414-V450 HydrophobicContact CG1-CG2 4.14Å; L418-V450 HydrophobicContact CD1-CG2 3.75Å; L418-V450 HydrophobicContact CD2-CG2 4.1Å; F421-V450 HydrophobicContact CD2-CG2 4.39Å; F421-V450 HydrophobicContact CE2-CB 4.24Å; F421-V450 HydrophobicContact CE2-CG2 3.96Å; T440-V450 CarbonylContact C-O 3.59Å; T440-V450 WeakPolarHBondContact CA-O 3.29Å; I441-V450 PolarHBondContact N-O 3.45Å; I441-V450 PolarHBondContact O-N 3.22Å; V450-L452 HydrophobicContact CG1-CD2 3.59Å; V450-L452 HydrophobicContact CG1-CG 3.97Å
451	L	96.9	Very high	95	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.7	160.8	166	63.4	0	0	0	108.3	L35 F37 L60 V86 M431 D438	L35-L451 HydrophobicContact CB-CB 4.07Å; L35-L451 HydrophobicContact CB-CG 4.46Å; L35-L451 WeakPolarHBondContact CB-O 3.45Å; L35-L451 HydrophobicContact CD1-CD2 3.84Å; L35-L451 HydrophobicContact CD1-CG 4.23Å; L35-L451 PolarHBondContact N-O 3.11Å; L35-L451 PolarHBondContact O-N 3.46Å; F37-L451 HydrophobicContact CE2-CB 4.5Å; L60-L451 HydrophobicContact CD1-CB 3.92Å; L60-L451 HydrophobicContact CD1-CD2 4.27Å; L60-L451 HydrophobicContact CD2-CB 4.37Å; L60-L451 HydrophobicContact CD2-CD2 4.31Å; V86-L451 HydrophobicContact CB-CD2 4.44Å; V86-L451 HydrophobicContact CG1-CD2 3.69Å; V86-L451 HydrophobicContact CG2-CD2 3.83Å; M431-L451 HydrophobicContact CB-CD1 4.14Å; M431-L451 HydrophobicContact CB-CD2 3.94Å; M431-L451 HydrophobicContact CG-CD1 4.3Å; D438-L451 HydrophobicContact CB-CD1 3.77Å
452	L	96.1	Very high	94.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.9	172.4	-59.4	178.7	0	0	0	108.4	I29 L31 P34 L409 V414 F421 V439 I441 V450	I29-L452 HydrophobicContact CG2-CB 3.59Å; I29-L452 HydrophobicContact CG2-CD1 4.06Å; I29-L452 HydrophobicContact CG2-CG 4.41Å; L31-L452 HydrophobicContact CD2-CD1 4.07Å; L31-L452 HydrophobicContact CD2-CD2 4.29Å; P34-L452 HydrophobicContact CB-CD2 3.71Å; L409-L452 HydrophobicContact CD1-CD1 3.94Å; V414-L452 HydrophobicContact CG1-CD2 4.37Å; V414-L452 HydrophobicContact CG2-CD2 4.48Å; F421-L452 HydrophobicContact CZ-CD1 4.45Å; V439-L452 PolarHBondContact N-O 3.01Å; V439-L452 PolarHBondContact O-N 2.9Å; I441-L452 HydrophobicContact CD1-CD1 3.96Å; V450-L452 HydrophobicContact CG1-CD2 3.59Å; V450-L452 HydrophobicContact CG1-CG 3.97Å
453	R	94.4	Very high	94.6	Very high	3 Å²	3	17.1 Å²	17.1	1%	0.011	10%	0.095	C	C	.	.			trans	-105.8	140	-170.9	-61.9	-177.5	-63.5	138.5	-0.3	112	D30 D432 D438 P590 L592	D30-R453 WeakPolarHBondContact CB-O 3.3Å; D30-R453 PolarHBondContact N-O 3.42Å; D30-R453 IonicContact OD2-NH2 2.83Å; D432-R453 WeakPolarHBondContact OD2-CD 3.27Å; D432-R453 IonicContact OD2-CZ 3.27Å; D432-R453 IonicContact OD2-NE 2.71Å; D432-R453 IonicContact OD2-NH1 2.91Å; D432-R453 PolarHBondContact OD2-NH1 3Å; D438-R453 WeakPolarHBondContact OD1-CA 3.44Å; R453-P590 PolarHBondContact NH1-O 2.99Å; R453-P590 PolarHBondContact NH2-O 3.23Å; R453-L592 HydrophobicContact CB-CD1 3.73Å; R453-L592 VanDerWaalsContact NH2-CD2 3.34Å
454	S	94.1	Very high	94.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-81.7	129.8	180	-70.6	0	0	0	0	111.2	N434 A437 D438 L592	N434-S454 PolarHBondContact ND2-O 2.94Å; A437-S454 VanDerWaalsContact O-CB 3.24Å; A437-S454 WeakPolarHBondContact O-CB 3.4Å; A437-S454 PolarHBondContact O-OG 2.89Å; D438-S454 PolarHBondContact OD1-N 2.9Å; S454-L592 WeakPolarHBondContact O-CD1 3.39Å
455	R	92.4	Very high	94.4	Very high	48 Å²	48	22.3 Å²	22.3	18%	0.181	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-87.5	133.8	-177	-58.2	170.8	64.4	-178.6	6	109.3	N28 D30 V457 L592 T593 V595	N28-R455 VanDerWaalsContact O-CB 3.3Å; N28-R455 WeakPolarHBondContact O-CB 3.48Å; N28-R455 WeakPolarHBondContact O-CG 3.31Å; N28-R455 PolarHBondContact O-N 2.9Å; D30-R455 HydrophobicContact CB-CG 4Å; R455-V457 PolarHBondContact O-N 3.32Å; R455-L592 HydrophobicContact CB-CB 4.46Å; R455-L592 HydrophobicContact CG-CB 4.24Å; R455-L592 HydrophobicContact CG-CD1 4.06Å; R455-T593 PolarHBondContact NE-O 2.91Å; R455-T593 PolarHBondContact NH2-O 3.39Å; R455-T593 VanDerWaalsContact NH2-O 3.16Å; R455-T593 PolarHBondContact NH2-OG1 3.43Å; R455-V595 HydrophobicContact CB-CG1 4.3Å
456	P	91.3	Very high	94.3	Very high	8 Å²	8	19.8 Å²	19.8	5%	0.052	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-57.4	128.3	-177.9	-28.2	35.4	0	0	0	113.7	Y436 V500 P594 V595	Y436-P456 HydrophobicContact CD2-CB 4.46Å; Y436-P456 HydrophobicContact CD2-CG 4.45Å; Y436-P456 HydrophobicContact CE2-CB 3.71Å; Y436-P456 HydrophobicContact CE2-CG 4.11Å; P456-V500 HydrophobicContact CB-CG2 4.14Å; P456-P594 HydrophobicContact CB-CB 4.34Å; P456-P594 CarbonylContact O-C 3.6Å; P456-P594 WeakPolarHBondContact O-CA 3.13Å; P456-P594 WeakPolarHBondContact O-CB 3.34Å; P456-V595 PolarHBondContact O-N 2.85Å
457	V	91.6	Very high	94	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132	-179	-179.4	0	0	0	0	110.1	Y27 N28 D370 Y436 R455 V595 R597	Y27-V457 WeakPolarHBondContact OH-CG1 3.33Å; N28-V457 HydrophobicContact CB-CG2 3.82Å; D370-V457 HydrophobicContact CB-CG2 3.99Å; D370-V457 WeakPolarHBondContact O-CB 3.27Å; D370-V457 WeakPolarHBondContact O-CG1 3.12Å; Y436-V457 HydrophobicContact CE1-CB 4.18Å; Y436-V457 HydrophobicContact CE1-CG2 4.22Å; Y436-V457 PolarHBondContact OH-N 3.03Å; Y436-V457 PolarHBondContact OH-O 2.73Å; R455-V457 PolarHBondContact O-N 3.32Å; V457-V595 HydrophobicContact CB-CG2 4.5Å; V457-V595 HydrophobicContact CG2-CG2 3.85Å; V457-R597 HydrophobicContact CG1-CB 3.8Å; V457-R597 HydrophobicContact CG1-CG 4.35Å
458	I	90.7	Very high	93.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.4	177.8	76.2	177	0	0	0	112	V460 F495 R496 V500 I504 L576 P594 V595 L596 R597	I458-V460 HydrophobicContact CD1-CG2 4.23Å; I458-V460 HydrophobicContact CG1-CG2 4.41Å; I458-F495 HydrophobicContact CB-CD2 4.17Å; I458-F495 HydrophobicContact CD1-CB 4.41Å; I458-F495 HydrophobicContact CD1-CD2 4.2Å; I458-F495 HydrophobicContact CD1-CG 4.33Å; I458-F495 HydrophobicContact CG2-CD2 4.12Å; I458-F495 HydrophobicContact CG2-CE2 4.4Å; I458-R496 CarbonylContact C-O 3.6Å; I458-R496 VanDerWaalsContact CA-O 3.28Å; I458-R496 WeakPolarHBondContact CA-O 3.42Å; I458-R496 WeakPolarHBondContact CB-O 3.3Å; I458-V500 HydrophobicContact CG2-CG2 3.78Å; I458-I504 HydrophobicContact CD1-CD1 3.6Å; I458-I504 HydrophobicContact CD1-CG2 4.48Å; I458-I504 HydrophobicContact CG2-CD1 4.34Å; I458-L576 HydrophobicContact CD1-CD2 3.99Å; I458-P594 HydrophobicContact CG2-CB 4.05Å; I458-V595 PolarHBondContact N-O 2.67Å; I458-L596 HydrophobicContact CD1-CD2 3.92Å; I458-L596 HydrophobicContact CG1-CD2 3.8Å; I458-R597 PolarHBondContact O-N 3.14Å
459	T	89.9	Confident	93	Very high	32 Å²	32	26 Å²	26	20%	0.196	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.5	165.1	-65	0	0	0	0	108.4	F495 R496	T459-F495 CarbonylContact O-C 3.53Å; T459-F495 WeakPolarHBondContact O-CA 3.32Å; T459-R496 PolarHBondContact N-O 3.24Å; T459-R496 PolarHBondContact O-N 2.79Å
460	V	90.5	Very high	92.5	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.2	170.1	-175.8	0	0	0	0	108	I458 V462 F495 L506 Y574 L596	I458-V460 HydrophobicContact CD1-CG2 4.23Å; I458-V460 HydrophobicContact CG1-CG2 4.41Å; V460-V462 HydrophobicContact CG1-CG2 3.8Å; V460-F495 HydrophobicContact CG2-CB 4Å; V460-L506 HydrophobicContact CB-CD1 4.38Å; V460-L506 HydrophobicContact CG1-CD1 3.59Å; V460-L506 HydrophobicContact CG2-CD1 3.85Å; V460-L506 HydrophobicContact CG2-CD2 4.27Å; V460-Y574 HydrophobicContact CB-CD2 4.36Å; V460-Y574 HydrophobicContact CB-CE2 3.57Å; V460-Y574 HydrophobicContact CG1-CD2 4.41Å; V460-Y574 HydrophobicContact CG1-CE2 4Å; V460-Y574 HydrophobicContact CG2-CD2 4.43Å; V460-Y574 HydrophobicContact CG2-CE2 3.88Å; V460-Y574 PolarHBondContact O-OH 2.92Å; V460-L596 HydrophobicContact CG2-CD2 3.69Å
461	D	91.4	Very high	91.8	Very high	48 Å²	48	28.5 Å²	28.5	26%	0.257	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.8	170.9	-66	-48	0	0	0	108.2	M493 H494 R496	D461-M493 WeakPolarHBondContact O-CA 3.24Å; D461-H494 VanDerWaalsContact CB-CE1 3.5Å; D461-H494 WeakPolarHBondContact CB-CE1 3.3Å; D461-H494 PolarHBondContact N-O 3.24Å; D461-H494 PolarHBondContact O-N 3.27Å; D461-H494 VanDerWaalsContact O-N 3.15Å; D461-H494 IonicContact OD2-CE1 2.66Å; D461-H494 PolarHBondContact OD2-CE1 3.12Å; D461-H494 IonicContact OD2-ND1 3.9Å; D461-R496 IonicContact OD2-CZ 2.74Å; D461-R496 VanDerWaalsContact OD2-CZ 3.31Å; D461-R496 IonicContact OD2-NE 3.83Å; D461-R496 IonicContact OD2-NH1 3.57Å; D461-R496 PolarHBondContact OD2-NH1 3.34Å; D461-R496 IonicContact OD2-NH2 3.7Å
462	V	93.3	Very high	90.9	Very high	15 Å²	15	31.4 Å²	31.4	9%	0.091	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.9	-175.2	-178.1	0	0	0	0	109.2	V460 I464 V491 C492 M493 V572 Y574 V606	V460-V462 HydrophobicContact CG1-CG2 3.8Å; V462-I464 HydrophobicContact CG1-CG1 4.5Å; V462-V491 HydrophobicContact CG1-CG1 4.18Å; V462-C492 WeakPolarHBondContact CA-O 2.99Å; V462-M493 HydrophobicContact CG1-CE 4.1Å; V462-M493 HydrophobicContact CG1-CG 4.25Å; V462-M493 HydrophobicContact CG2-CE 4.3Å; V462-M493 HydrophobicContact CG2-CG 4.12Å; V462-M493 HydrophobicContact CG2-SD 4.47Å; V462-V572 HydrophobicContact CG1-CB 4.17Å; V462-V572 HydrophobicContact CG1-CG1 3.87Å; V462-Y574 HydrophobicContact CG2-CD1 3.95Å; V462-Y574 HydrophobicContact CG2-CE1 3.66Å; V462-V606 HydrophobicContact CB-CB 4.29Å; V462-V606 HydrophobicContact CB-CG2 4Å; V462-V606 HydrophobicContact CG1-CB 4.49Å
463	S	94.6	Very high	89.8	Confident	52 Å²	52	35.4 Å²	35.4	36%	0.364	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124	177.5	-66.3	0	0	0	0	110.2	V491 C492	S463-V491 WeakPolarHBondContact O-CA 3.08Å; S463-C492 PolarHBondContact N-O 3.34Å; S463-C492 PolarHBondContact O-N 2.82Å
464	I	95.8	Very high	88.7	Confident	10 Å²	10	39.1 Å²	39.1	5%	0.051	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	103.3	177.2	-51.4	172.7	0	0	0	108.1	V462 L466 I489 V572 V606 N608	V462-I464 HydrophobicContact CG1-CG1 4.5Å; I464-L466 HydrophobicContact CG2-CD2 4.13Å; I464-L466 HydrophobicContact CG2-CG 4.11Å; I464-I489 HydrophobicContact CG2-CG2 4.22Å; I464-V572 HydrophobicContact CD1-CB 3.95Å; I464-V572 HydrophobicContact CD1-CG2 3.65Å; I464-V572 HydrophobicContact CG1-CB 4.37Å; I464-V572 HydrophobicContact CG1-CG2 3.86Å; I464-V606 HydrophobicContact CD1-CG1 4.24Å; I464-V606 WeakPolarHBondContact CD1-O 3.28Å; I464-N608 HydrophobicContact CB-CB 3.93Å; I464-N608 HydrophobicContact CD1-CB 4.47Å; I464-N608 HydrophobicContact CG2-CB 4.29Å; I464-N608 PolarHBondContact O-ND2 2.99Å
465	F	95.7	Very high	87.8	Confident	115 Å²	115	41.7 Å²	41.7	50%	0.504	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.1	176.2	-59.5	-84.4	0	0	0	110.2	T490 C492	F465-T490 PolarHBondContact N-O 3.42Å; F465-T490 PolarHBondContact O-N 3.38Å; F465-C492 HydrophobicContact CE2-CB 4.13Å
466	L	94.3	Very high	87	Confident	32 Å²	32	45.1 Å²	45.1	17%	0.168	26%	0.258	C	S	.	.			trans	-118.7	158.6	179.7	-63	174.6	0	0	0	109.7	I464 I489 F570 N608 T610	I464-L466 HydrophobicContact CG2-CD2 4.13Å; I464-L466 HydrophobicContact CG2-CG 4.11Å; L466-I489 HydrophobicContact CD2-CB 4.33Å; L466-I489 HydrophobicContact CD2-CD1 3.87Å; L466-I489 HydrophobicContact CD2-CG1 3.81Å; L466-I489 HydrophobicContact CD2-CG2 3.84Å; L466-F570 HydrophobicContact CD1-CB 4.46Å; L466-F570 HydrophobicContact CD1-CD2 3.82Å; L466-F570 HydrophobicContact CD1-CG 4.5Å; L466-F570 HydrophobicContact CD2-CB 4.46Å; L466-F570 HydrophobicContact CD2-CD2 3.64Å; L466-F570 HydrophobicContact CD2-CE2 4.06Å; L466-F570 HydrophobicContact CD2-CG 4.04Å; L466-F570 HydrophobicContact CG-CD2 4.42Å; L466-N608 HydrophobicContact CD1-CB 3.9Å; L466-T610 HydrophobicContact CB-CG2 4.45Å; L466-T610 HydrophobicContact CD1-CG2 4.11Å
467	P	91.8	Very high	86.5	Confident	38 Å²	38	46 Å²	46	25%	0.247	26%	0.264	C	S	.	.			trans	-65.2	151.5	164.6	31.5	-36.6	0	0	0	110.5	I470 F487 T610	P467-I470 HydrophobicContact CG-CG1 4.08Å; P467-F487 HydrophobicContact CG-CB 4.17Å; P467-F487 HydrophobicContact CG-CD2 3.64Å; P467-F487 HydrophobicContact CG-CE2 4.25Å; P467-F487 HydrophobicContact CG-CG 4.05Å; P467-T610 WeakPolarHBondContact O-CB 3.4Å; P467-T610 PolarHBondContact O-OG1 2.88Å
468	V	86.8	Confident	85.5	Confident	108 Å²	108	52.3 Å²	52.3	66%	0.655	29%	0.293	S	S	*	.	S	Bend	trans	-61.3	-51.7	176.1	179.7	0	0	0	0	110.3	T610 W611	V468-T610 PolarHBondContact O-OG1 2.77Å; V468-W611 HydrophobicContact CG1-CH2 4.07Å; V468-W611 HydrophobicContact CG1-CZ2 3.47Å; V468-W611 VanDerWaalsContact CG1-CZ2 3.47Å; V468-W611 VanDerWaalsContact O-CD2 3.28Å; V468-W611 WeakPolarHBondContact O-CZ2 3.43Å; V468-W611 PolarHBondContact O-NE1 3.36Å
469	S	86.9	Confident	84.4	Confident	34 Å²	34	56 Å²	56	24%	0.238	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	155.4	176.4	57.3	0	0	0	0	111.1	W611 E613	S469-W611 CarbonylContact C-O 3.59Å; S469-W611 WeakPolarHBondContact CA-O 3.36Å; S469-E613 PolarHBondContact OG-OE1 3.23Å; S469-E613 VanDerWaalsContact OG-OE1 3.04Å
470	I	87.2	Confident	83.4	Confident	8 Å²	8	58 Å²	58	4%	0.041	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	106.3	173.2	-61.1	158.5	0	0	0	108.5	P467 I472 F487 V557 I568 T610 W611 F612 E613	P467-I470 HydrophobicContact CG-CG1 4.08Å; I470-I472 HydrophobicContact CG2-CG2 4.22Å; I470-I472 PolarHBondContact O-N 2.98Å; I470-F487 HydrophobicContact CD1-CD1 4.08Å; I470-F487 HydrophobicContact CD1-CE1 3.45Å; I470-F487 VanDerWaalsContact CD1-CE1 3.45Å; I470-F487 HydrophobicContact CD1-CE2 4.15Å; I470-F487 HydrophobicContact CD1-CZ 3.47Å; I470-F487 VanDerWaalsContact CD1-CZ 3.47Å; I470-F487 HydrophobicContact CG1-CD1 3.95Å; I470-F487 HydrophobicContact CG1-CE1 3.86Å; I470-F487 HydrophobicContact CG1-CG 4.35Å; I470-F487 HydrophobicContact CG1-CZ 4.15Å; I470-F487 HydrophobicContact CG2-CD1 4.01Å; I470-F487 HydrophobicContact CG2-CE1 4.14Å; I470-V557 HydrophobicContact CG2-CG2 3.9Å; I470-I568 HydrophobicContact CD1-CD1 3.56Å; I470-T610 HydrophobicContact CD1-CG2 3.67Å; I470-T610 HydrophobicContact CG1-CG2 4.45Å; I470-W611 PolarHBondContact N-O 3.39Å; I470-F612 HydrophobicContact CB-CD1 4.16Å; I470-F612 HydrophobicContact CG2-CD1 4.19Å; I470-F612 HydrophobicContact CG2-CE1 4.28Å; I470-E613 PolarHBondContact O-N 2.88Å
471	N	81.5	Confident	81.9	Confident	44 Å²	44	66.7 Å²	66.7	24%	0.235	38%	0.378	C	S	.	.			trans	-67.8	126	170	-168.4	-66.9	0	0	0	109.7	S473 V474 E613	N471-S473 PolarHBondContact OD1-N 2.84Å; N471-V474 PolarHBondContact OD1-N 3.12Å; N471-E613 VanDerWaalsContact CB-OE2 3.32Å; N471-E613 WeakPolarHBondContact CB-OE2 3.23Å; N471-E613 PolarHBondContact ND2-OE2 3.44Å
472	I	78.3	Confident	80.8	Confident	61 Å²	61	69.5 Å²	69.5	31%	0.313	39%	0.389	S	S	.	.			trans	-111.3	-2.3	174.8	55.4	169.6	0	0	0	113.8	I470 N485 V557 V564 F612	I470-I472 HydrophobicContact CG2-CG2 4.22Å; I470-I472 PolarHBondContact O-N 2.98Å; I472-N485 VanDerWaalsContact CA-ND2 3.32Å; I472-N485 WeakPolarHBondContact CA-ND2 3.41Å; I472-N485 PolarHBondContact O-ND2 2.87Å; I472-V557 HydrophobicContact CG2-CG1 4.26Å; I472-V557 HydrophobicContact CG2-CG2 4.41Å; I472-V564 HydrophobicContact CD1-CG1 4.06Å; I472-F612 HydrophobicContact CD1-CD1 4.33Å; I472-F612 HydrophobicContact CG2-CD1 3.53Å; I472-F612 HydrophobicContact CG2-CE1 3.63Å
473	S	72.8	Confident	80.1	Confident	85 Å²	85	73 Å²	73	59%	0.594	41%	0.407	S	S	*	.	S	Bend	trans	-84.1	-26.8	179.3	-53.5	0	0	0	0	113	N471	N471-S473 PolarHBondContact OD1-N 2.84Å
474	V	72.6	Confident	79.5	Confident	81 Å²	81	70.9 Å²	70.9	49%	0.491	39%	0.392	S	S	.	.	S	Bend	trans	-123	112.5	-177.4	-175.6	0	0	0	0	109.7	N471 Q476 N485	N471-V474 PolarHBondContact OD1-N 3.12Å; V474-Q476 PolarHBondContact O-N 2.89Å; V474-Q476 VanDerWaalsContact O-N 3.1Å; V474-Q476 PolarHBondContact O-NE2 2.92Å; V474-N485 PolarHBondContact O-OD1 3.19Å
475	P	75.1	Confident	79	Confident	54 Å²	54	71.9 Å²	71.9	35%	0.351	40%	0.398	S	S	.	.			trans	-68.7	110.1	-179.6	27.4	-33.6	0	0	0	111.5	C477 N483 N485	P475-C477 VanDerWaalsContact C-N 3.31Å; P475-C477 PolarHBondContact O-N 2.94Å; P475-N483 HydrophobicContact CB-CB 3.84Å; P475-N483 HydrophobicContact CG-CB 3.92Å; P475-N485 VanDerWaalsContact CA-OD1 3.26Å; P475-N485 WeakPolarHBondContact CA-OD1 3.35Å
476	Q	75.8	Confident	78.7	Confident	120 Å²	120	67.2 Å²	67.2	56%	0.561	38%	0.379	S	S	*	.			trans	-74.6	-19.5	-178.5	-57	-57	-56.5	0	0	113.4	V474 L484	V474-Q476 PolarHBondContact O-N 2.89Å; V474-Q476 VanDerWaalsContact O-N 3.1Å; V474-Q476 PolarHBondContact O-NE2 2.92Å; Q476-L484 PolarHBondContact N-O 3.04Å
477	C	80.7	Confident	78.6	Confident	25 Å²	25	66.7 Å²	66.7	17%	0.169	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	157.4	-165	-51.5	0	0	0	0	112.3	P475 L484 C486	P475-C477 VanDerWaalsContact C-N 3.31Å; P475-C477 PolarHBondContact O-N 2.94Å; C477-L484 PolarHBondContact N-O 2.87Å; C477-L484 PolarHBondContact O-N 2.84Å; C477-L484 VanDerWaalsContact O-O 3.13Å; C477-C486 HydrophobicContact CB-CB 3.69Å; C477-C486 WeakPolarHBondContact CB-SG 3.27Å; C477-C486 WeakPolarHBondContact SG-CB 3.48Å; C477-C486 CovalentContact SG-SG 2.02Å; C477-C486 PolarHBondContact SG-SG 3.34Å
478	H	71	Confident	78.6	Confident	133 Å²	133	68.9 Å²	68.9	62%	0.616	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	130	175.6	-67.8	70.3	0	0	0	109.8	Q482 N483	H478-Q482 WeakPolarHBondContact CA-O 3.25Å; H478-N483 PolarHBondContact CD2-OD1 2.84Å; H478-N483 VanDerWaalsContact CD2-OD1 3.31Å; H478-N483 PolarHBondContact NE2-ND2 2.89Å; H478-N483 VanDerWaalsContact NE2-ND2 3.1Å; H478-N483 PolarHBondContact NE2-OD1 2.96Å
479	E	66.3	Low	78.9	Confident	78 Å²	78	63.8 Å²	63.8	36%	0.364	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	104	171.4	-170.3	166.2	-139.7	0	0	108.5	H481 Q482 L484	E479-H481 PolarHBondContact O-N 2.94Å; E479-Q482 PolarHBondContact N-O 2.85Å; E479-Q482 PolarHBondContact O-N 3.41Å; E479-L484 HydrophobicContact CB-CD1 3.68Å; E479-L484 WeakPolarHBondContact OE2-CD1 3.35Å
480	G	68.6	Low	79.4	Confident	74 Å²	74	63.5 Å²	63.5	76%	0.763	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-97.2	-174.9	0	0	0	0	0	113.4
481	H	59.9	Low	79.8	Confident	186 Å²	186	63.1 Å²	63.1	86%	0.861	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.6	12.4	175.5	-72.7	7.5	0	0	0	112.1	E479	E479-H481 PolarHBondContact O-N 2.94Å
482	Q	68.4	Low	80.5	Confident	106 Å²	106	61.3 Å²	61.3	50%	0.495	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123	-179.7	-58.2	-164.8	23.8	0	0	111	H478 E479	H478-Q482 WeakPolarHBondContact CA-O 3.25Å; E479-Q482 PolarHBondContact N-O 2.85Å; E479-Q482 PolarHBondContact O-N 3.41Å
483	N	77.4	Confident	81.3	Confident	88 Å²	88	58.4 Å²	58.4	47%	0.471	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	128.7	171.4	-63	40.2	0	0	0	108.3	P475 H478	P475-N483 HydrophobicContact CB-CB 3.84Å; P475-N483 HydrophobicContact CG-CB 3.92Å; H478-N483 PolarHBondContact CD2-OD1 2.84Å; H478-N483 VanDerWaalsContact CD2-OD1 3.31Å; H478-N483 PolarHBondContact NE2-ND2 2.89Å; H478-N483 VanDerWaalsContact NE2-ND2 3.1Å; H478-N483 PolarHBondContact NE2-OD1 2.96Å
484	L	82.8	Confident	82.2	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	148.9	-173.2	-64.6	176.3	0	0	0	111	Q476 C477 E479 Y556	Q476-L484 PolarHBondContact N-O 3.04Å; C477-L484 PolarHBondContact N-O 2.87Å; C477-L484 PolarHBondContact O-N 2.84Å; C477-L484 VanDerWaalsContact O-O 3.13Å; E479-L484 HydrophobicContact CB-CD1 3.68Å; E479-L484 WeakPolarHBondContact OE2-CD1 3.35Å; L484-Y556 HydrophobicContact CB-CD1 4.47Å; L484-Y556 HydrophobicContact CD1-CD1 4.06Å; L484-Y556 HydrophobicContact CD1-CE1 4.49Å
485	N	85.7	Confident	83.2	Confident	32 Å²	32	52.3 Å²	52.3	17%	0.171	28%	0.281	C	S	.	.			trans	-80.9	118.1	167.8	-60.6	-34.3	0	0	0	107.7	I472 V474 P475 V557	I472-N485 VanDerWaalsContact CA-ND2 3.32Å; I472-N485 WeakPolarHBondContact CA-ND2 3.41Å; I472-N485 PolarHBondContact O-ND2 2.87Å; V474-N485 PolarHBondContact O-OD1 3.19Å; P475-N485 VanDerWaalsContact CA-OD1 3.26Å; P475-N485 WeakPolarHBondContact CA-OD1 3.35Å; N485-V557 HydrophobicContact CB-CB 4.01Å; N485-V557 HydrophobicContact CB-CG2 3.85Å; N485-V557 PolarHBondContact O-N 2.53Å
486	C	89.7	Confident	83.9	Confident	17 Å²	17	56 Å²	56	12%	0.115	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	157.5	175.5	100.3	0	0	0	0	111.2	C477 T554 A555 Y556	C477-C486 HydrophobicContact CB-CB 3.69Å; C477-C486 WeakPolarHBondContact CB-SG 3.27Å; C477-C486 WeakPolarHBondContact SG-CB 3.48Å; C477-C486 CovalentContact SG-SG 2.02Å; C477-C486 PolarHBondContact SG-SG 3.34Å; C486-T554 HydrophobicContact CB-CG2 4.23Å; C486-T554 WeakPolarHBondContact SG-CG2 3.34Å; C486-A555 CarbonylContact C-O 3.57Å; C486-A555 WeakPolarHBondContact CA-O 3.4Å; C486-A555 VanDerWaalsContact CB-O 3.24Å; C486-A555 WeakPolarHBondContact CB-O 3.45Å; C486-Y556 HydrophobicContact CB-CD1 3.43Å; C486-Y556 VanDerWaalsContact CB-CD1 3.43Å; C486-Y556 HydrophobicContact CB-CE1 3.75Å; C486-Y556 HydrophobicContact CB-CG 3.96Å
487	F	91	Very high	84.4	Confident	21 Å²	21	51.4 Å²	51.4	9%	0.092	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	161.9	-178	57.8	-85.7	0	0	0	111.3	P467 I470 I489 I525 A555 V557 F570	P467-F487 HydrophobicContact CG-CB 4.17Å; P467-F487 HydrophobicContact CG-CD2 3.64Å; P467-F487 HydrophobicContact CG-CE2 4.25Å; P467-F487 HydrophobicContact CG-CG 4.05Å; I470-F487 HydrophobicContact CD1-CD1 4.08Å; I470-F487 HydrophobicContact CD1-CE1 3.45Å; I470-F487 VanDerWaalsContact CD1-CE1 3.45Å; I470-F487 HydrophobicContact CD1-CE2 4.15Å; I470-F487 HydrophobicContact CD1-CZ 3.47Å; I470-F487 VanDerWaalsContact CD1-CZ 3.47Å; I470-F487 HydrophobicContact CG1-CD1 3.95Å; I470-F487 HydrophobicContact CG1-CE1 3.86Å; I470-F487 HydrophobicContact CG1-CG 4.35Å; I470-F487 HydrophobicContact CG1-CZ 4.15Å; I470-F487 HydrophobicContact CG2-CD1 4.01Å; I470-F487 HydrophobicContact CG2-CE1 4.14Å; F487-I489 HydrophobicContact CD2-CD1 4.49Å; F487-I489 HydrophobicContact CD2-CG1 3.98Å; F487-I489 HydrophobicContact CE2-CD1 3.82Å; F487-I489 HydrophobicContact CE2-CG1 3.78Å; F487-I525 HydrophobicContact CE1-CD1 3.9Å; F487-I525 HydrophobicContact CZ-CD1 4.19Å; F487-I525 HydrophobicContact CZ-CG1 4.44Å; F487-A555 HydrophobicContact CD2-CB 4.34Å; F487-A555 HydrophobicContact CE1-CB 4.28Å; F487-A555 HydrophobicContact CE2-CB 3.98Å; F487-A555 HydrophobicContact CZ-CB 3.95Å; F487-A555 PolarHBondContact N-O 2.9Å; F487-A555 PolarHBondContact O-N 2.97Å; F487-V557 HydrophobicContact CE1-CG2 4.23Å; F487-F570 HydrophobicContact CE2-CE2 4.2Å; F487-F570 HydrophobicContact CE2-CZ 4Å; F487-F570 HydrophobicContact CZ-CE2 4.14Å; F487-F570 AromaticContact CZ-CZ 3.8Å; F487-F570 HydrophobicContact CZ-CZ 3.8Å
488	N	92.1	Very high	84.5	Confident	84 Å²	84	55.5 Å²	55.5	45%	0.449	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	140.9	178.4	-68.9	-58.1	0	0	0	111.1	Y553	N488-Y553 CarbonylContact C-O 3.49Å; N488-Y553 WeakPolarHBondContact CA-O 3.49Å
489	I	94.3	Very high	84.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.8	171.5	-57.2	-176.6	0	0	0	107.1	I464 L466 F487 V491 F527 R552 Y553 A555 F570	I464-I489 HydrophobicContact CG2-CG2 4.22Å; L466-I489 HydrophobicContact CD2-CB 4.33Å; L466-I489 HydrophobicContact CD2-CD1 3.87Å; L466-I489 HydrophobicContact CD2-CG1 3.81Å; L466-I489 HydrophobicContact CD2-CG2 3.84Å; F487-I489 HydrophobicContact CD2-CD1 4.49Å; F487-I489 HydrophobicContact CD2-CG1 3.98Å; F487-I489 HydrophobicContact CE2-CD1 3.82Å; F487-I489 HydrophobicContact CE2-CG1 3.78Å; I489-V491 HydrophobicContact CG2-CG2 4.46Å; I489-F527 HydrophobicContact CD1-CE1 4.14Å; I489-F527 HydrophobicContact CD1-CZ 4.48Å; I489-R552 WeakPolarHBondContact O-CA 3.24Å; I489-Y553 PolarHBondContact N-O 2.81Å; I489-Y553 PolarHBondContact O-N 2.76Å; I489-A555 HydrophobicContact CD1-CB 3.75Å; I489-A555 HydrophobicContact CG1-CB 4.21Å; I489-F570 HydrophobicContact CD1-CD1 3.61Å; I489-F570 HydrophobicContact CD1-CD2 4.41Å; I489-F570 HydrophobicContact CD1-CE1 3.21Å; I489-F570 HydrophobicContact CD1-CE2 4.09Å; I489-F570 HydrophobicContact CD1-CG 4.2Å; I489-F570 HydrophobicContact CD1-CZ 3.49Å; I489-F570 VanDerWaalsContact CD1-CZ 3.49Å
490	T	96	Very high	85.6	Confident	28 Å²	28	52.3 Å²	52.3	17%	0.172	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.5	172.8	-48.6	0	0	0	0	109.5	F465 C550 Q551 R552	F465-T490 PolarHBondContact N-O 3.42Å; F465-T490 PolarHBondContact O-N 3.38Å; T490-C550 HydrophobicContact CG2-CB 3.96Å; T490-Q551 WeakPolarHBondContact CA-O 3.13Å; T490-R552 HydrophobicContact CG2-CG 3.82Å
491	V	96.1	Very high	86.2	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.3	172.4	-179.2	0	0	0	0	107.2	V462 S463 I489 M493 Y508 L510 C550 Q551 Y553 V572	V462-V491 HydrophobicContact CG1-CG1 4.18Å; S463-V491 WeakPolarHBondContact O-CA 3.08Å; I489-V491 HydrophobicContact CG2-CG2 4.46Å; V491-M493 HydrophobicContact CG1-CE 3.87Å; V491-M493 HydrophobicContact CG1-CG 4.37Å; V491-Y508 HydrophobicContact CG1-CE2 4.16Å; V491-L510 HydrophobicContact CG2-CD1 4.22Å; V491-L510 HydrophobicContact CG2-CD2 4.22Å; V491-C550 CarbonylContact O-C 3.55Å; V491-C550 VanDerWaalsContact O-CA 3.3Å; V491-C550 WeakPolarHBondContact O-CA 3.16Å; V491-Q551 PolarHBondContact N-O 2.96Å; V491-Q551 PolarHBondContact O-N 3.42Å; V491-Y553 HydrophobicContact CG2-CD2 4.45Å; V491-Y553 HydrophobicContact CG2-CE2 4.49Å; V491-V572 HydrophobicContact CG1-CG1 4.21Å; V491-V572 HydrophobicContact CG1-CG2 3.95Å; V491-V572 HydrophobicContact CG2-CG2 3.82Å
492	C	95.4	Very high	87.4	Confident	6 Å²	6	44 Å²	44	4%	0.041	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.1	173.3	-63.4	0	0	0	0	109.8	V462 S463 F465 E548 C550	V462-C492 WeakPolarHBondContact CA-O 2.99Å; S463-C492 PolarHBondContact N-O 3.34Å; S463-C492 PolarHBondContact O-N 2.82Å; F465-C492 HydrophobicContact CE2-CB 4.13Å; C492-E548 HydrophobicContact CB-CG 4.04Å; C492-E548 WeakPolarHBondContact CB-OE1 3.32Å; C492-C550 HydrophobicContact CB-CB 4.08Å; C492-C550 WeakPolarHBondContact CB-SG 3.39Å; C492-C550 WeakPolarHBondContact SG-CB 3.18Å; C492-C550 CovalentContact SG-SG 2.04Å; C492-C550 PolarHBondContact SG-SG 3.15Å
493	M	95	Very high	88.3	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	138.9	176.7	-57.9	-171.5	173.9	0	0	110.4	D461 V462 V491 L506 Y508 L541 L543 E548 K549 V572	D461-M493 WeakPolarHBondContact O-CA 3.24Å; V462-M493 HydrophobicContact CG1-CE 4.1Å; V462-M493 HydrophobicContact CG1-CG 4.25Å; V462-M493 HydrophobicContact CG2-CE 4.3Å; V462-M493 HydrophobicContact CG2-CG 4.12Å; V462-M493 HydrophobicContact CG2-SD 4.47Å; V491-M493 HydrophobicContact CG1-CE 3.87Å; V491-M493 HydrophobicContact CG1-CG 4.37Å; M493-L506 HydrophobicContact SD-CD1 4.06Å; M493-Y508 HydrophobicContact CE-CD1 3.65Å; M493-Y508 HydrophobicContact CE-CD2 3.73Å; M493-Y508 HydrophobicContact CE-CE1 4.01Å; M493-Y508 HydrophobicContact CE-CE2 4.07Å; M493-Y508 HydrophobicContact CE-CG 3.48Å; M493-Y508 VanDerWaalsContact CE-CG 3.48Å; M493-Y508 HydrophobicContact SD-CD1 4.17Å; M493-Y508 HydrophobicContact SD-CE1 4.45Å; M493-L541 HydrophobicContact CB-CD2 3.99Å; M493-L541 HydrophobicContact CG-CD2 4.19Å; M493-L541 HydrophobicContact SD-CD2 4.1Å; M493-L543 HydrophobicContact CB-CD1 4.01Å; M493-E548 WeakPolarHBondContact O-CA 3.28Å; M493-K549 PolarHBondContact N-O 3.46Å; M493-K549 PolarHBondContact O-N 2.84Å; M493-V572 HydrophobicContact CE-CG1 3.44Å; M493-V572 VanDerWaalsContact CE-CG1 3.44Å
494	H	93.3	Very high	88.9	Confident	37 Å²	37	38.3 Å²	38.3	17%	0.171	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157.2	161.6	70.9	58.8	0	0	0	109.5	D461 R496 R547 E548	D461-H494 VanDerWaalsContact CB-CE1 3.5Å; D461-H494 WeakPolarHBondContact CB-CE1 3.3Å; D461-H494 PolarHBondContact N-O 3.24Å; D461-H494 PolarHBondContact O-N 3.27Å; D461-H494 VanDerWaalsContact O-N 3.15Å; D461-H494 IonicContact OD2-CE1 2.66Å; D461-H494 PolarHBondContact OD2-CE1 3.12Å; D461-H494 IonicContact OD2-ND1 3.9Å; H494-R496 PolarHBondContact CE1-NE 3.36Å; H494-R496 PolarHBondContact CE1-NH2 2.68Å; H494-R496 PolarHBondContact NE2-NH2 3.42Å; H494-R547 WeakPolarHBondContact CB-O 3.31Å; H494-E548 HydrophobicContact CB-CB 4.05Å
495	F	91.8	Very high	89.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.3	172.4	80.5	-93.6	0	0	0	112.4	I458 T459 V460 V500 I504 L543 E544 I545 N546	I458-F495 HydrophobicContact CB-CD2 4.17Å; I458-F495 HydrophobicContact CD1-CB 4.41Å; I458-F495 HydrophobicContact CD1-CD2 4.2Å; I458-F495 HydrophobicContact CD1-CG 4.33Å; I458-F495 HydrophobicContact CG2-CD2 4.12Å; I458-F495 HydrophobicContact CG2-CE2 4.4Å; T459-F495 CarbonylContact O-C 3.53Å; T459-F495 WeakPolarHBondContact O-CA 3.32Å; V460-F495 HydrophobicContact CG2-CB 4Å; F495-V500 HydrophobicContact CE2-CB 4.37Å; F495-V500 HydrophobicContact CE2-CG1 4.09Å; F495-V500 HydrophobicContact CZ-CG1 4.47Å; F495-I504 HydrophobicContact CD2-CD1 4.35Å; F495-I504 HydrophobicContact CE1-CB 4.01Å; F495-I504 HydrophobicContact CE1-CD1 4.18Å; F495-I504 HydrophobicContact CE1-CG1 4.19Å; F495-I504 HydrophobicContact CE2-CD1 3.81Å; F495-I504 HydrophobicContact CZ-CB 4.27Å; F495-I504 HydrophobicContact CZ-CD1 3.7Å; F495-I504 HydrophobicContact CZ-CG1 3.92Å; F495-L543 HydrophobicContact CD1-CB 3.65Å; F495-L543 HydrophobicContact CD1-CD1 4.1Å; F495-L543 HydrophobicContact CE1-CB 3.73Å; F495-E544 VanDerWaalsContact CE1-C 3.48Å; F495-I545 HydrophobicContact CE2-CB 3.86Å; F495-I545 HydrophobicContact CE2-CG1 4.11Å; F495-I545 HydrophobicContact CZ-CB 3.9Å; F495-N546 PolarHBondContact O-N 3.45Å
496	R	90.2	Very high	89.6	Confident	133 Å²	133	37.6 Å²	37.6	50%	0.502	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	150.9	174.4	-48.7	-172.8	-175.6	139.2	7.7	108.3	I458 T459 D461 H494 N546	I458-R496 CarbonylContact C-O 3.6Å; I458-R496 VanDerWaalsContact CA-O 3.28Å; I458-R496 WeakPolarHBondContact CA-O 3.42Å; I458-R496 WeakPolarHBondContact CB-O 3.3Å; T459-R496 PolarHBondContact N-O 3.24Å; T459-R496 PolarHBondContact O-N 2.79Å; D461-R496 IonicContact OD2-CZ 2.74Å; D461-R496 VanDerWaalsContact OD2-CZ 3.31Å; D461-R496 IonicContact OD2-NE 3.83Å; D461-R496 IonicContact OD2-NH1 3.57Å; D461-R496 PolarHBondContact OD2-NH1 3.34Å; D461-R496 IonicContact OD2-NH2 3.7Å; H494-R496 PolarHBondContact CE1-NE 3.36Å; H494-R496 PolarHBondContact CE1-NH2 2.68Å; H494-R496 PolarHBondContact NE2-NH2 3.42Å; R496-N546 WeakPolarHBondContact CG-OD1 3.46Å
497	G	85.9	Confident	89.8	Confident	23 Å²	23	40 Å²	40	24%	0.237	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.1	161.3	177.2	0	0	0	0	0	109.8	I545	G497-I545 VanDerWaalsContact O-CD1 3.3Å; G497-I545 WeakPolarHBondContact O-CD1 3.44Å
498	R	84.6	Confident	89.9	Confident	110 Å²	110	39.4 Å²	39.4	42%	0.415	20%	0.2	S	C	.	.	S	Bend	trans	-82.9	131.4	-177.8	-174	169.8	174	179	-9.7	111.5	D371 G435 Y436 V500	D371-R498 WeakPolarHBondContact OD1-CD 3.47Å; D371-R498 IonicContact OD1-CZ 2.65Å; D371-R498 IonicContact OD1-NE 2.74Å; D371-R498 IonicContact OD1-NH1 3.15Å; D371-R498 PolarHBondContact OD1-NH1 3.05Å; G435-R498 PolarHBondContact O-NE 2.89Å; G435-R498 PolarHBondContact O-NH2 3.21Å; Y436-R498 HydrophobicContact CE2-CB 3.9Å; Y436-R498 HydrophobicContact CE2-CG 4.37Å; Y436-R498 WeakPolarHBondContact OH-CB 3.47Å; Y436-R498 PolarHBondContact OH-N 2.86Å; Y436-R498 PolarHBondContact OH-O 2.94Å; R498-V500 WeakPolarHBondContact O-CG2 3.49Å; R498-V500 PolarHBondContact O-N 2.78Å
499	E	76.1	Confident	90	Very high	135 Å²	135	37.1 Å²	37.1	63%	0.631	19%	0.187	S	C	*	.	S	Bend	trans	48.6	27.6	171.2	-63.3	-174.6	-136.6	0	0	117.1	P501	E499-P501 VanDerWaalsContact O-CD 3.3Å; E499-P501 WeakPolarHBondContact O-CD 3.34Å
500	V	83.2	Confident	90.1	Very high	10 Å²	10	37.1 Å²	37.1	6%	0.061	19%	0.187	C	C	.	.			trans	-70.4	118.2	-179.8	-174.3	0	0	0	0	111.7	P456 I458 F495 R498 I504 I545	P456-V500 HydrophobicContact CB-CG2 4.14Å; I458-V500 HydrophobicContact CG2-CG2 3.78Å; F495-V500 HydrophobicContact CE2-CB 4.37Å; F495-V500 HydrophobicContact CE2-CG1 4.09Å; F495-V500 HydrophobicContact CZ-CG1 4.47Å; R498-V500 WeakPolarHBondContact O-CG2 3.49Å; R498-V500 PolarHBondContact O-N 2.78Å; V500-I504 HydrophobicContact CG1-CD1 3.9Å; V500-I545 HydrophobicContact CB-CD1 4.41Å
501	P	81.3	Confident	90	Very high	58 Å²	58	36 Å²	36	38%	0.377	18%	0.18	S	C	.	.			trans	-87	143.9	179.8	33.2	-33	0	0	0	112.6	E499 H579 T581	E499-P501 VanDerWaalsContact O-CD 3.3Å; E499-P501 WeakPolarHBondContact O-CD 3.34Å; P501-H579 PolarHBondContact O-NE2 3.11Å; P501-T581 HydrophobicContact CB-CG2 4.36Å; P501-T581 HydrophobicContact CG-CG2 3.98Å
502	G	84.7	Confident	89.9	Confident	27 Å²	27	36 Å²	36	28%	0.278	18%	0.18	S	C	.	.	S	Bend	trans	78.7	-154.7	169.3	0	0	0	0	0	115.6	V580	G502-V580 WeakPolarHBondContact CA-O 3.31Å
503	E	88.5	Confident	89.8	Confident	74 Å²	74	35.8 Å²	35.8	35%	0.346	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	150.4	178	-77.1	-168.2	-122.3	0	0	112.2	S542 L543 E544 K549 V580	E503-S542 VanDerWaalsContact OE2-CB 3.3Å; E503-S542 WeakPolarHBondContact OE2-CB 3.27Å; E503-L543 WeakPolarHBondContact CA-O 3.49Å; E503-E544 HydrophobicContact CG-CG 3.75Å; E503-K549 IonicContact OE2-NZ 3.27Å; E503-V580 PolarHBondContact N-O 3.3Å; E503-V580 PolarHBondContact O-N 2.86Å
504	I	89.6	Confident	89.6	Confident	1 Å²	1	36 Å²	36	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.7	174.2	-62.5	-176.4	0	0	0	109.3	I458 F495 V500 L506 S542 L543 L576 P594	I458-I504 HydrophobicContact CD1-CD1 3.6Å; I458-I504 HydrophobicContact CD1-CG2 4.48Å; I458-I504 HydrophobicContact CG2-CD1 4.34Å; F495-I504 HydrophobicContact CD2-CD1 4.35Å; F495-I504 HydrophobicContact CE1-CB 4.01Å; F495-I504 HydrophobicContact CE1-CD1 4.18Å; F495-I504 HydrophobicContact CE1-CG1 4.19Å; F495-I504 HydrophobicContact CE2-CD1 3.81Å; F495-I504 HydrophobicContact CZ-CB 4.27Å; F495-I504 HydrophobicContact CZ-CD1 3.7Å; F495-I504 HydrophobicContact CZ-CG1 3.92Å; V500-I504 HydrophobicContact CG1-CD1 3.9Å; I504-L506 HydrophobicContact CG2-CD2 4.06Å; I504-S542 CarbonylContact O-C 3.56Å; I504-S542 WeakPolarHBondContact O-CA 3.38Å; I504-L543 PolarHBondContact N-O 3.24Å; I504-L543 PolarHBondContact O-N 2.78Å; I504-L576 HydrophobicContact CG2-CD2 3.43Å; I504-L576 VanDerWaalsContact CG2-CD2 3.43Å; I504-P594 HydrophobicContact CD1-CB 4.33Å; I504-P594 HydrophobicContact CD1-CG 3.53Å; I504-P594 HydrophobicContact CG1-CG 4.28Å
505	E	91.6	Very high	89.4	Confident	24 Å²	24	36.1 Å²	36.1	11%	0.112	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	123.2	164.6	178.2	177.1	-125.1	0	0	109.7	L507 Q540 G577 K578	E505-L507 HydrophobicContact CG-CD2 4.08Å; E505-Q540 HydrophobicContact CG-CB 4.45Å; E505-Q540 PolarHBondContact OE1-NE2 3.44Å; E505-G577 WeakPolarHBondContact O-CA 3.48Å; E505-G577 PolarHBondContact O-N 3.06Å; E505-K578 HydrophobicContact CB-CB 4.47Å; E505-K578 WeakPolarHBondContact CB-O 3.45Å; E505-K578 PolarHBondContact N-O 2.89Å; E505-K578 WeakPolarHBondContact OE2-CB 3.46Å; E505-K578 PolarHBondContact OE2-N 3.02Å
506	L	92.1	Very high	89.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.4	164.5	-65	-175.2	0	0	0	109.8	V460 M493 I504 Q540 L541 L543 L576	V460-L506 HydrophobicContact CB-CD1 4.38Å; V460-L506 HydrophobicContact CG1-CD1 3.59Å; V460-L506 HydrophobicContact CG2-CD1 3.85Å; V460-L506 HydrophobicContact CG2-CD2 4.27Å; M493-L506 HydrophobicContact SD-CD1 4.06Å; I504-L506 HydrophobicContact CG2-CD2 4.06Å; L506-Q540 CarbonylContact O-C 3.51Å; L506-Q540 WeakPolarHBondContact O-CA 3.37Å; L506-L541 PolarHBondContact N-O 2.72Å; L506-L541 PolarHBondContact O-N 3.26Å; L506-L543 HydrophobicContact CD1-CD1 3.61Å; L506-L543 HydrophobicContact CG-CD1 4.21Å; L506-L576 HydrophobicContact CD2-CD2 4.08Å
507	L	93.4	Very high	88.9	Confident	69 Å²	69	36.6 Å²	36.6	36%	0.361	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.2	170.7	-55.8	178.1	0	0	0	107.7	E505 Q540 Y574 S575	E505-L507 HydrophobicContact CG-CD2 4.08Å; L507-Q540 HydrophobicContact CD2-CB 3.69Å; L507-Y574 CarbonylContact O-C 3.59Å; L507-Y574 WeakPolarHBondContact O-CA 3.38Å; L507-S575 PolarHBondContact N-O 3.28Å; L507-S575 PolarHBondContact O-N 3.11Å
508	Y	93.8	Very high	88.9	Confident	8 Å²	8	41.7 Å²	41.7	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158.2	-177.6	78.8	-90	0	0	0	113.9	V491 M493 L510 N538 Q539 L541 Q551 Y553 V572 A573	V491-Y508 HydrophobicContact CG1-CE2 4.16Å; M493-Y508 HydrophobicContact CE-CD1 3.65Å; M493-Y508 HydrophobicContact CE-CD2 3.73Å; M493-Y508 HydrophobicContact CE-CE1 4.01Å; M493-Y508 HydrophobicContact CE-CE2 4.07Å; M493-Y508 HydrophobicContact CE-CG 3.48Å; M493-Y508 VanDerWaalsContact CE-CG 3.48Å; M493-Y508 HydrophobicContact SD-CD1 4.17Å; M493-Y508 HydrophobicContact SD-CE1 4.45Å; Y508-L510 HydrophobicContact CE2-CB 4.43Å; Y508-N538 CarbonylContact O-C 3.52Å; Y508-N538 WeakPolarHBondContact O-CA 3.49Å; Y508-Q539 HydrophobicContact CD1-CB 4.04Å; Y508-Q539 HydrophobicContact CE1-CB 3.62Å; Y508-Q539 HydrophobicContact CE2-CB 4.21Å; Y508-Q539 PolarHBondContact N-O 3.28Å; Y508-Q539 PolarHBondContact O-N 2.82Å; Y508-L541 HydrophobicContact CE1-CB 4.31Å; Y508-Q551 PolarHBondContact OH-OE1 3.23Å; Y508-Y553 WeakPolarHBondContact OH-CE2 3.45Å; Y508-Y553 PolarHBondContact OH-OH 2.88Å; Y508-V572 HydrophobicContact CD2-CG1 3.77Å; Y508-V572 HydrophobicContact CE2-CG1 4.4Å; Y508-V572 HydrophobicContact CG-CG1 4.39Å; Y508-A573 CarbonylContact C-O 3.56Å; Y508-A573 VanDerWaalsContact CA-O 3.27Å; Y508-A573 WeakPolarHBondContact CA-O 3.29Å; Y508-A573 WeakPolarHBondContact CB-O 3.45Å
509	N	94.4	Very high	89	Confident	36 Å²	36	43.6 Å²	43.6	19%	0.193	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	113.3	178.5	179.8	-20.5	0	0	0	109.5	T511 Q536 M537 N538 A573	N509-T511 PolarHBondContact OD1-OG1 3.4Å; N509-T511 VanDerWaalsContact OD1-OG1 3.06Å; N509-Q536 PolarHBondContact ND2-NE2 3.47Å; N509-Q536 WeakPolarHBondContact OD1-CB 3.37Å; N509-M537 WeakPolarHBondContact CA-O 3.41Å; N509-N538 WeakPolarHBondContact CB-OD1 3.38Å; N509-N538 VanDerWaalsContact CG-OD1 3.27Å; N509-N538 PolarHBondContact ND2-OD1 2.66Å; N509-N538 VanDerWaalsContact ND2-OD1 3.12Å; N509-A573 PolarHBondContact N-O 2.95Å; N509-A573 PolarHBondContact O-N 3.49Å; N509-A573 VanDerWaalsContact O-N 3.12Å
510	L	94.7	Very high	89.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	109.2	169.8	173.3	62.6	0	0	0	109.4	V491 Y508 F527 Q536 M537 Y553 F570 V572	V491-L510 HydrophobicContact CG2-CD1 4.22Å; V491-L510 HydrophobicContact CG2-CD2 4.22Å; Y508-L510 HydrophobicContact CE2-CB 4.43Å; L510-F527 HydrophobicContact CD2-CE1 3.95Å; L510-F527 HydrophobicContact CD2-CZ 3.71Å; L510-F527 HydrophobicContact CG-CE1 4.48Å; L510-F527 HydrophobicContact CG-CE2 4.27Å; L510-F527 HydrophobicContact CG-CZ 3.73Å; L510-Q536 CarbonylContact O-C 3.58Å; L510-Q536 WeakPolarHBondContact O-CA 3.47Å; L510-M537 PolarHBondContact N-O 2.84Å; L510-M537 PolarHBondContact O-N 2.85Å; L510-Y553 HydrophobicContact CD2-CD2 3.68Å; L510-Y553 HydrophobicContact CD2-CE2 4.33Å; L510-Y553 HydrophobicContact CD2-CG 3.86Å; L510-F570 HydrophobicContact CD1-CD1 4.36Å; L510-V572 HydrophobicContact CB-CG2 4.42Å; L510-V572 HydrophobicContact CD1-CG2 3.65Å
511	T	94.7	Very high	89.5	Confident	4 Å²	4	46.6 Å²	46.6	3%	0.025	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.5	178.8	-61.3	0	0	0	0	111.2	N509 V514 Q536 F570 E571	N509-T511 PolarHBondContact OD1-OG1 3.4Å; N509-T511 VanDerWaalsContact OD1-OG1 3.06Å; T511-V514 HydrophobicContact CG2-CB 4.46Å; T511-V514 HydrophobicContact CG2-CG2 3.59Å; T511-Q536 HydrophobicContact CG2-CG 3.86Å; T511-Q536 WeakPolarHBondContact OG1-CG 3.24Å; T511-Q536 PolarHBondContact OG1-NE2 2.9Å; T511-F570 WeakPolarHBondContact O-CA 3.46Å; T511-E571 PolarHBondContact N-O 3.32Å; T511-E571 PolarHBondContact O-N 2.82Å
512	A	93.5	Very high	89.6	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-102.1	139.6	177.2	0	0	0	0	0	113	S523 I525 F527 S535 F570	A512-S523 PolarHBondContact O-OG 3.24Å; A512-I525 HydrophobicContact CB-CB 4.07Å; A512-I525 HydrophobicContact CB-CG2 3.97Å; A512-F527 HydrophobicContact CB-CE2 3.72Å; A512-F527 HydrophobicContact CB-CZ 3.97Å; A512-S535 PolarHBondContact N-O 3.11Å; A512-F570 HydrophobicContact CB-CD1 3.93Å; A512-F570 HydrophobicContact CB-CE1 3.43Å; A512-F570 VanDerWaalsContact CB-CE1 3.43Å; A512-F570 HydrophobicContact CB-CZ 4.24Å
513	D	92.7	Very high	89.8	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.246	C	C	.	.	S	Bend	trans	56.1	49.3	176.6	-151.3	9.1	0	0	0	112.9	D515 K516 R517 S523 R524 I568 T569	D513-D515 VanDerWaalsContact C-N 3.28Å; D513-D515 PolarHBondContact O-N 3.05Å; D513-K516 VanDerWaalsContact CG-CG 3.49Å; D513-K516 WeakPolarHBondContact O-CB 3.29Å; D513-K516 PolarHBondContact O-N 3.33Å; D513-K516 VanDerWaalsContact OD1-CG 3.27Å; D513-K516 WeakPolarHBondContact OD1-CG 3.38Å; D513-K516 WeakPolarHBondContact OD2-CG 3.27Å; D513-R517 PolarHBondContact O-N 3.02Å; D513-S523 WeakPolarHBondContact CB-OG 3.44Å; D513-R524 IonicContact OD1-CZ 2.77Å; D513-R524 IonicContact OD1-NE 2.69Å; D513-R524 PolarHBondContact OD1-NE 3.26Å; D513-R524 IonicContact OD1-NH2 3.72Å; D513-R524 PolarHBondContact OD1-NH2 2.82Å; D513-R524 VanDerWaalsContact OD2-CB 3.28Å; D513-R524 WeakPolarHBondContact OD2-CB 3.27Å; D513-R524 VanDerWaalsContact OD2-CG 3.28Å; D513-R524 WeakPolarHBondContact OD2-CG 3.32Å; D513-R524 IonicContact OD2-CZ 2.65Å; D513-R524 PolarHBondContact OD2-N 3.17Å; D513-R524 IonicContact OD2-NE 3.88Å; D513-R524 PolarHBondContact OD2-NE 2.78Å; D513-R524 IonicContact OD2-NH2 3.73Å; D513-I568 HydrophobicContact CB-CG2 4.19Å; D513-T569 WeakPolarHBondContact CA-O 3.49Å; D513-T569 PolarHBondContact N-O 2.98Å
514	V	91.8	Very high	90	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.03	23%	0.231	C	C	.	.	H	α-helix	trans	-57.5	-40.9	-166.9	178	0	0	0	0	111.9	T511 K516 R517 Q518 T569 E571	T511-V514 HydrophobicContact CG2-CB 4.46Å; T511-V514 HydrophobicContact CG2-CG2 3.59Å; V514-K516 VanDerWaalsContact C-N 3.33Å; V514-K516 PolarHBondContact O-N 3.21Å; V514-R517 WeakPolarHBondContact O-CB 3.34Å; V514-R517 PolarHBondContact O-N 3.05Å; V514-R517 VanDerWaalsContact O-N 3.13Å; V514-Q518 HydrophobicContact CG1-CG 4.44Å; V514-Q518 WeakPolarHBondContact O-CG 3.23Å; V514-Q518 PolarHBondContact O-N 3.32Å; V514-T569 WeakPolarHBondContact CG2-O 3.45Å; V514-T569 PolarHBondContact N-O 2.85Å; V514-E571 HydrophobicContact CB-CB 4.37Å; V514-E571 HydrophobicContact CG1-CB 4.33Å; V514-E571 HydrophobicContact CG2-CB 3.35Å
515	D	89.8	Confident	90.1	Very high	41 Å²	41	45.2 Å²	45.2	22%	0.219	23%	0.231	C	C	.	.	H	α-helix	trans	-80	-19.1	-172.4	-56.9	-29.1	0	0	0	112.2	D513 K519 T569 K607	D513-D515 VanDerWaalsContact C-N 3.28Å; D513-D515 PolarHBondContact O-N 3.05Å; D515-K519 WeakPolarHBondContact O-CD 3.48Å; D515-K519 WeakPolarHBondContact O-CG 3.4Å; D515-T569 VanDerWaalsContact OD2-CB 3.25Å; D515-T569 WeakPolarHBondContact OD2-CB 3.29Å; D515-T569 WeakPolarHBondContact OD2-CG2 3.46Å; D515-T569 PolarHBondContact OD2-OG1 3.15Å; D515-K607 IonicContact OD1-NZ 3.81Å; D515-K607 PolarHBondContact OD1-NZ 2.7Å; D515-K607 IonicContact OD2-NZ 2.76Å; D515-K607 PolarHBondContact OD2-NZ 3.2Å
516	K	87.6	Confident	90.1	Very high	24 Å²	24	44.6 Å²	44.6	10%	0.104	23%	0.228	C	C	.	.	H	α-helix	trans	-70.9	-46.9	162.7	-69.6	-62.2	-171.9	-174.3	0	110.7	D513 V514 Q518 K519 S520 Q521 D563	D513-K516 VanDerWaalsContact CG-CG 3.49Å; D513-K516 WeakPolarHBondContact O-CB 3.29Å; D513-K516 PolarHBondContact O-N 3.33Å; D513-K516 VanDerWaalsContact OD1-CG 3.27Å; D513-K516 WeakPolarHBondContact OD1-CG 3.38Å; D513-K516 WeakPolarHBondContact OD2-CG 3.27Å; V514-K516 VanDerWaalsContact C-N 3.33Å; V514-K516 PolarHBondContact O-N 3.21Å; K516-Q518 PolarHBondContact O-N 3.03Å; K516-K519 CarbonylContact O-C 3.58Å; K516-K519 WeakPolarHBondContact O-CA 3.39Å; K516-K519 PolarHBondContact O-N 3.1Å; K516-S520 PolarHBondContact O-N 3.08Å; K516-Q521 CarbonylContact C-O 3.37Å; K516-Q521 HydrophobicContact CB-CB 4.17Å; K516-Q521 HydrophobicContact CD-CB 4.02Å; K516-Q521 PolarHBondContact O-N 3.18Å; K516-D563 VanDerWaalsContact CE-OD2 3.26Å; K516-D563 WeakPolarHBondContact CE-OD2 3.04Å; K516-D563 IonicContact NZ-OD2 2.79Å; K516-D563 PolarHBondContact NZ-OD2 2.9Å
517	R	82.8	Confident	90	Very high	118 Å²	118	44.6 Å²	44.6	45%	0.445	23%	0.228	S	C	.	.	H	α-helix	trans	-60.4	-41.4	178.7	-171.2	-177.3	178.1	111.7	-0.8	112.5	D513 V514 K519 S520 S535	D513-R517 PolarHBondContact O-N 3.02Å; V514-R517 WeakPolarHBondContact O-CB 3.34Å; V514-R517 PolarHBondContact O-N 3.05Å; V514-R517 VanDerWaalsContact O-N 3.13Å; R517-K519 PolarHBondContact O-N 2.91Å; R517-S520 PolarHBondContact O-N 2.7Å; R517-S520 VanDerWaalsContact O-N 3.09Å; R517-S535 PolarHBondContact NH1-OG 2.97Å
518	Q	86.1	Confident	89.6	Confident	131 Å²	131	43.3 Å²	43.3	61%	0.612	22%	0.223	S	C	*	.	H	α-helix	trans	-63.9	-27.7	175.4	-72.1	-177.1	3.4	0	0	113.2	V514 K516 S520	V514-Q518 HydrophobicContact CG1-CG 4.44Å; V514-Q518 WeakPolarHBondContact O-CG 3.23Å; V514-Q518 PolarHBondContact O-N 3.32Å; K516-Q518 PolarHBondContact O-N 3.03Å; Q518-S520 VanDerWaalsContact C-N 3.3Å
519	K	86.9	Confident	89.1	Confident	149 Å²	149	47.4 Å²	47.4	65%	0.648	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	14.3	175.1	-65.7	172.1	-175.8	172.5	0	112.8	D515 K516 R517 Q521	D515-K519 WeakPolarHBondContact O-CD 3.48Å; D515-K519 WeakPolarHBondContact O-CG 3.4Å; K516-K519 CarbonylContact O-C 3.58Å; K516-K519 WeakPolarHBondContact O-CA 3.39Å; K516-K519 PolarHBondContact O-N 3.1Å; R517-K519 PolarHBondContact O-N 2.91Å; K519-Q521 HydrophobicContact CB-CG 4.29Å; K519-Q521 PolarHBondContact O-N 3.08Å; K519-Q521 VanDerWaalsContact O-N 3.13Å
520	S	86.6	Confident	88.3	Confident	117 Å²	117	51.9 Å²	51.9	82%	0.818	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	23.7	-174.5	-59.1	0	0	0	0	114.7	K516 R517 Q518	K516-S520 PolarHBondContact O-N 3.08Å; R517-S520 PolarHBondContact O-N 2.7Å; R517-S520 VanDerWaalsContact O-N 3.09Å; Q518-S520 VanDerWaalsContact C-N 3.3Å
521	Q	83.1	Confident	87.4	Confident	92 Å²	92	56.1 Å²	56.1	43%	0.43	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-93.1	148.2	176.8	-64.2	-173.6	-3.3	0	0	110.7	K516 K519 S523	K516-Q521 CarbonylContact C-O 3.37Å; K516-Q521 HydrophobicContact CB-CB 4.17Å; K516-Q521 HydrophobicContact CD-CB 4.02Å; K516-Q521 PolarHBondContact O-N 3.18Å; K519-Q521 HydrophobicContact CB-CG 4.29Å; K519-Q521 PolarHBondContact O-N 3.08Å; K519-Q521 VanDerWaalsContact O-N 3.13Å; Q521-S523 PolarHBondContact O-N 3.01Å
522	P	83.9	Confident	86.8	Confident	108 Å²	108	58.4 Å²	58.4	70%	0.701	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-66.4	125.2	179.2	27.2	-34.3	0	0	0	110.9	R524	P522-R524 PolarHBondContact O-N 2.96Å
523	S	89.1	Confident	86.4	Confident	10 Å²	10	64.4 Å²	64.4	7%	0.07	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-54.5	133.9	172.3	175.4	0	0	0	0	111.1	A512 D513 Q521 I525 K558	A512-S523 PolarHBondContact O-OG 3.24Å; D513-S523 WeakPolarHBondContact CB-OG 3.44Å; Q521-S523 PolarHBondContact O-N 3.01Å; S523-I525 VanDerWaalsContact C-N 3.32Å; S523-I525 PolarHBondContact OG-N 3.17Å; S523-I525 PolarHBondContact OG-O 2.91Å; S523-K558 WeakPolarHBondContact O-CD 3.19Å; S523-K558 VanDerWaalsContact O-CE 3.24Å; S523-K558 WeakPolarHBondContact O-CE 3.45Å; S523-K558 PolarHBondContact O-NZ 3.32Å
524	R	91.3	Very high	86.2	Confident	12 Å²	12	66.6 Å²	66.6	5%	0.045	37%	0.37	C	S	.	.	S	Bend	trans	-75.7	-22	178.8	-64	169.6	-73.4	173.3	1.1	112.7	D513 P522 K558 V561 D563 T566 A567	D513-R524 IonicContact OD1-CZ 2.77Å; D513-R524 IonicContact OD1-NE 2.69Å; D513-R524 PolarHBondContact OD1-NE 3.26Å; D513-R524 IonicContact OD1-NH2 3.72Å; D513-R524 PolarHBondContact OD1-NH2 2.82Å; D513-R524 VanDerWaalsContact OD2-CB 3.28Å; D513-R524 WeakPolarHBondContact OD2-CB 3.27Å; D513-R524 VanDerWaalsContact OD2-CG 3.28Å; D513-R524 WeakPolarHBondContact OD2-CG 3.32Å; D513-R524 IonicContact OD2-CZ 2.65Å; D513-R524 PolarHBondContact OD2-N 3.17Å; D513-R524 IonicContact OD2-NE 3.88Å; D513-R524 PolarHBondContact OD2-NE 2.78Å; D513-R524 IonicContact OD2-NH2 3.73Å; P522-R524 PolarHBondContact O-N 2.96Å; R524-K558 PolarHBondContact O-N 2.81Å; R524-V561 HydrophobicContact CB-CG1 4.33Å; R524-V561 HydrophobicContact CB-CG2 3.88Å; R524-V561 HydrophobicContact CG-CG1 3.92Å; R524-V561 HydrophobicContact CG-CG2 4.17Å; R524-D563 WeakPolarHBondContact CD-O 3.25Å; R524-D563 PolarHBondContact NH1-O 3.29Å; R524-D563 IonicContact NH1-OD1 3.02Å; R524-T566 PolarHBondContact NH1-O 3.06Å; R524-T566 PolarHBondContact NH1-OG1 3.46Å; R524-T566 VanDerWaalsContact NH1-OG1 3.13Å; R524-T566 PolarHBondContact NH2-O 2.92Å; R524-T566 PolarHBondContact NH2-OG1 2.83Å; R524-A567 PolarHBondContact NH2-O 2.92Å
525	I	91.9	Very high	85.8	Confident	0 Å²	0	68 Å²	68	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	152.5	-179.7	-58.4	-52.9	0	0	0	110.3	F487 A512 S523 A555 Y556 V557 I568 F570	F487-I525 HydrophobicContact CE1-CD1 3.9Å; F487-I525 HydrophobicContact CZ-CD1 4.19Å; F487-I525 HydrophobicContact CZ-CG1 4.44Å; A512-I525 HydrophobicContact CB-CB 4.07Å; A512-I525 HydrophobicContact CB-CG2 3.97Å; S523-I525 VanDerWaalsContact C-N 3.32Å; S523-I525 PolarHBondContact OG-N 3.17Å; S523-I525 PolarHBondContact OG-O 2.91Å; I525-A555 HydrophobicContact CG2-CB 3.86Å; I525-Y556 CarbonylContact C-O 3.51Å; I525-Y556 VanDerWaalsContact CA-O 3.31Å; I525-Y556 WeakPolarHBondContact CA-O 3.36Å; I525-V557 HydrophobicContact CD1-CB 4.14Å; I525-V557 HydrophobicContact CD1-CG1 4.17Å; I525-V557 HydrophobicContact CD1-CG2 3.81Å; I525-I568 HydrophobicContact CD1-CD1 3.98Å; I525-I568 HydrophobicContact CG1-CD1 4.03Å; I525-I568 HydrophobicContact CG1-CG2 3.71Å; I525-F570 HydrophobicContact CG1-CZ 4.27Å; I525-F570 HydrophobicContact CG2-CE1 4.3Å; I525-F570 HydrophobicContact CG2-CZ 4.08Å
526	Y	91.6	Very high	85.9	Confident	12 Å²	12	69 Å²	69	5%	0.047	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	156.6	166.3	67.2	-81.8	0	0	0	111.1	T528 Q533 I534 Y556 K558	Y526-T528 HydrophobicContact CD2-CG2 3.96Å; Y526-T528 HydrophobicContact CE2-CG2 3.61Å; Y526-Q533 HydrophobicContact CD2-CB 3.89Å; Y526-Q533 HydrophobicContact CD2-CG 3.59Å; Y526-Q533 HydrophobicContact CE2-CG 3.7Å; Y526-Q533 HydrophobicContact CG-CB 4.3Å; Y526-Q533 HydrophobicContact CG-CG 4.25Å; Y526-I534 CarbonylContact C-O 3.57Å; Y526-I534 WeakPolarHBondContact CA-O 3.33Å; Y526-Y556 WeakPolarHBondContact CD1-O 3.37Å; Y526-Y556 HydrophobicContact CE2-CD2 4.24Å; Y526-Y556 HydrophobicContact CE2-CG 4.04Å; Y526-Y556 PolarHBondContact N-O 3.37Å; Y526-Y556 PolarHBondContact O-N 2.98Å; Y526-K558 HydrophobicContact CD1-CG 3.78Å; Y526-K558 HydrophobicContact CE1-CG 4.19Å
527	F	91.3	Very high	86	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	159.1	163.2	-48.2	-82.3	0	0	0	108.9	I489 L510 A512 I534 M537 A555 F570	I489-F527 HydrophobicContact CD1-CE1 4.14Å; I489-F527 HydrophobicContact CD1-CZ 4.48Å; L510-F527 HydrophobicContact CD2-CE1 3.95Å; L510-F527 HydrophobicContact CD2-CZ 3.71Å; L510-F527 HydrophobicContact CG-CE1 4.48Å; L510-F527 HydrophobicContact CG-CE2 4.27Å; L510-F527 HydrophobicContact CG-CZ 3.73Å; A512-F527 HydrophobicContact CB-CE2 3.72Å; A512-F527 HydrophobicContact CB-CZ 3.97Å; F527-I534 HydrophobicContact CB-CG1 4.13Å; F527-I534 PolarHBondContact N-O 3.06Å; F527-I534 WeakPolarHBondContact O-CG1 3.31Å; F527-I534 PolarHBondContact O-N 3.15Å; F527-M537 HydrophobicContact CB-CE 3.62Å; F527-M537 HydrophobicContact CB-CG 4.07Å; F527-M537 HydrophobicContact CB-SD 3.67Å; F527-M537 HydrophobicContact CD1-SD 4.04Å; F527-M537 HydrophobicContact CD2-CG 4.06Å; F527-M537 HydrophobicContact CD2-SD 4.28Å; F527-M537 HydrophobicContact CG-CE 4.39Å; F527-M537 HydrophobicContact CG-CG 4.11Å; F527-M537 HydrophobicContact CG-SD 3.77Å; F527-A555 HydrophobicContact CD1-CB 4.05Å; F527-A555 HydrophobicContact CE1-CB 3.83Å; F527-F570 HydrophobicContact CZ-CD1 4.33Å; F527-F570 HydrophobicContact CZ-CE1 4Å
528	T	85.4	Confident	86.4	Confident	42 Å²	42	68.8 Å²	68.8	26%	0.258	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.2	174.4	52.1	0	0	0	0	110.5	Y526 S532 M537 Y556	Y526-T528 HydrophobicContact CD2-CG2 3.96Å; Y526-T528 HydrophobicContact CE2-CG2 3.61Å; T528-S532 WeakPolarHBondContact CA-O 3.5Å; T528-M537 VanDerWaalsContact O-CE 3.31Å; T528-M537 WeakPolarHBondContact O-CE 3.46Å; T528-Y556 HydrophobicContact CG2-CD2 4.11Å; T528-Y556 HydrophobicContact CG2-CE2 4.01Å; T528-Y556 WeakPolarHBondContact OG1-CE2 3.17Å
529	H	81.3	Confident	86.7	Confident	94 Å²	94	65.5 Å²	65.5	44%	0.435	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	129.2	175.3	-174.7	-76.8	0	0	0	109.4	G531 S532 I534 M537	H529-G531 PolarHBondContact O-N 2.98Å; H529-G531 VanDerWaalsContact O-N 3.08Å; H529-S532 PolarHBondContact N-O 2.65Å; H529-S532 PolarHBondContact O-N 2.84Å; H529-S532 PolarHBondContact O-OG 2.69Å; H529-I534 HydrophobicContact CB-CD1 3.46Å; H529-I534 VanDerWaalsContact CB-CD1 3.46Å; H529-I534 HydrophobicContact CB-CG1 4.16Å; H529-M537 HydrophobicContact CB-CE 4.25Å
530	T	79.1	Confident	86.9	Confident	130 Å²	130	64.2 Å²	64.2	80%	0.798	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	40.9	-179.2	49.2	0	0	0	0	113.5	S532	T530-S532 VanDerWaalsContact C-N 3.27Å; T530-S532 PolarHBondContact O-N 2.86Å
531	G	74.7	Confident	87.2	Confident	89 Å²	89	59.3 Å²	59.3	92%	0.918	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	2.3	-178.7	0	0	0	0	0	116.1	H529	H529-G531 PolarHBondContact O-N 2.98Å; H529-G531 VanDerWaalsContact O-N 3.08Å
532	S	82.1	Confident	87.6	Confident	52 Å²	52	57.5 Å²	57.5	36%	0.364	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	147	-180	70.5	0	0	0	0	112.5	T528 H529 T530	T528-S532 WeakPolarHBondContact CA-O 3.5Å; H529-S532 PolarHBondContact N-O 2.65Å; H529-S532 PolarHBondContact O-N 2.84Å; H529-S532 PolarHBondContact O-OG 2.69Å; T530-S532 VanDerWaalsContact C-N 3.27Å; T530-S532 PolarHBondContact O-N 2.86Å
533	Q	85.3	Confident	87.9	Confident	125 Å²	125	52.4 Å²	52.4	58%	0.584	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	119.7	171.8	-64.1	-168.5	-13.9	0	0	110.1	Y526	Y526-Q533 HydrophobicContact CD2-CB 3.89Å; Y526-Q533 HydrophobicContact CD2-CG 3.59Å; Y526-Q533 HydrophobicContact CE2-CG 3.7Å; Y526-Q533 HydrophobicContact CG-CB 4.3Å; Y526-Q533 HydrophobicContact CG-CG 4.25Å
534	I	88.6	Confident	87.9	Confident	47 Å²	47	54.6 Å²	54.6	24%	0.241	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	155.3	180	56.2	168	0	0	0	110.9	Y526 F527 H529 M537	Y526-I534 CarbonylContact C-O 3.57Å; Y526-I534 WeakPolarHBondContact CA-O 3.33Å; F527-I534 HydrophobicContact CB-CG1 4.13Å; F527-I534 PolarHBondContact N-O 3.06Å; F527-I534 WeakPolarHBondContact O-CG1 3.31Å; F527-I534 PolarHBondContact O-N 3.15Å; H529-I534 HydrophobicContact CB-CD1 3.46Å; H529-I534 VanDerWaalsContact CB-CD1 3.46Å; H529-I534 HydrophobicContact CB-CG1 4.16Å; I534-M537 HydrophobicContact CD1-CE 4.16Å; I534-M537 HydrophobicContact CD1-CG 3.58Å
535	S	84.7	Confident	87.7	Confident	34 Å²	34	56.9 Å²	56.9	24%	0.238	32%	0.323	C	S	.	.	S	Bend	trans	-108.8	-1.3	177.8	43.8	0	0	0	0	113.7	A512 R517	A512-S535 PolarHBondContact N-O 3.11Å; R517-S535 PolarHBondContact NH1-OG 2.97Å
536	Q	90.1	Very high	87.5	Confident	62 Å²	62	62.2 Å²	62.2	29%	0.29	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	125.5	-175.2	-64.8	-168.1	-80.9	0	0	109	N509 L510 T511	N509-Q536 PolarHBondContact ND2-NE2 3.47Å; N509-Q536 WeakPolarHBondContact OD1-CB 3.37Å; L510-Q536 CarbonylContact O-C 3.58Å; L510-Q536 WeakPolarHBondContact O-CA 3.47Å; T511-Q536 HydrophobicContact CG2-CG 3.86Å; T511-Q536 WeakPolarHBondContact OG1-CG 3.24Å; T511-Q536 PolarHBondContact OG1-NE2 2.9Å
537	M	89.7	Confident	87.5	Confident	21 Å²	21	68.2 Å²	68.2	10%	0.103	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	112	176.8	-85.9	-176.6	153	0	0	110.5	N509 L510 F527 T528 H529 I534 Y553	N509-M537 WeakPolarHBondContact CA-O 3.41Å; L510-M537 PolarHBondContact N-O 2.84Å; L510-M537 PolarHBondContact O-N 2.85Å; F527-M537 HydrophobicContact CB-CE 3.62Å; F527-M537 HydrophobicContact CB-CG 4.07Å; F527-M537 HydrophobicContact CB-SD 3.67Å; F527-M537 HydrophobicContact CD1-SD 4.04Å; F527-M537 HydrophobicContact CD2-CG 4.06Å; F527-M537 HydrophobicContact CD2-SD 4.28Å; F527-M537 HydrophobicContact CG-CE 4.39Å; F527-M537 HydrophobicContact CG-CG 4.11Å; F527-M537 HydrophobicContact CG-SD 3.77Å; T528-M537 VanDerWaalsContact O-CE 3.31Å; T528-M537 WeakPolarHBondContact O-CE 3.46Å; H529-M537 HydrophobicContact CB-CE 4.25Å; I534-M537 HydrophobicContact CD1-CE 4.16Å; I534-M537 HydrophobicContact CD1-CG 3.58Å; M537-Y553 HydrophobicContact SD-CD1 3.58Å; M537-Y553 VanDerWaalsContact SD-CD1 3.58Å; M537-Y553 HydrophobicContact SD-CE1 4.09Å; M537-Y553 HydrophobicContact SD-CG 4.48Å
538	N	91.9	Very high	87.6	Confident	118 Å²	118	73.1 Å²	73.1	63%	0.631	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	131.9	171.1	-65	-15	0	0	0	109.7	Y508 N509	Y508-N538 CarbonylContact O-C 3.52Å; Y508-N538 WeakPolarHBondContact O-CA 3.49Å; N509-N538 WeakPolarHBondContact CB-OD1 3.38Å; N509-N538 VanDerWaalsContact CG-OD1 3.27Å; N509-N538 PolarHBondContact ND2-OD1 2.66Å; N509-N538 VanDerWaalsContact ND2-OD1 3.12Å
539	Q	92	Very high	88	Confident	62 Å²	62	74.2 Å²	74.2	29%	0.29	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	161.4	-174.3	-65.7	-72.4	-86.7	0	0	110.7	Y508 Y553	Y508-Q539 HydrophobicContact CD1-CB 4.04Å; Y508-Q539 HydrophobicContact CE1-CB 3.62Å; Y508-Q539 HydrophobicContact CE2-CB 4.21Å; Y508-Q539 PolarHBondContact N-O 3.28Å; Y508-Q539 PolarHBondContact O-N 2.82Å; Q539-Y553 HydrophobicContact CG-CE1 4.14Å; Q539-Y553 WeakPolarHBondContact CG-OH 3.33Å; Q539-Y553 PolarHBondContact OE1-OH 3.5Å
540	Q	92.5	Very high	88.7	Confident	122 Å²	122	72.8 Å²	72.8	57%	0.57	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.6	174.4	69.6	-167.8	95.2	0	0	110.4	E505 L506 L507	E505-Q540 HydrophobicContact CG-CB 4.45Å; E505-Q540 PolarHBondContact OE1-NE2 3.44Å; L506-Q540 CarbonylContact O-C 3.51Å; L506-Q540 WeakPolarHBondContact O-CA 3.37Å; L507-Q540 HydrophobicContact CD2-CB 3.69Å
541	L	91.6	Very high	89.4	Confident	13 Å²	13	68.9 Å²	68.9	7%	0.068	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	107.9	-175.5	-176.3	63.5	0	0	0	110.7	M493 L506 Y508 L543 K549 Q551	M493-L541 HydrophobicContact CB-CD2 3.99Å; M493-L541 HydrophobicContact CG-CD2 4.19Å; M493-L541 HydrophobicContact SD-CD2 4.1Å; L506-L541 PolarHBondContact N-O 2.72Å; L506-L541 PolarHBondContact O-N 3.26Å; Y508-L541 HydrophobicContact CE1-CB 4.31Å; L541-L543 HydrophobicContact CD2-CD2 3.95Å; L541-L543 HydrophobicContact CD2-CG 4.38Å; L541-L543 HydrophobicContact CG-CD2 3.98Å; L541-L543 HydrophobicContact CG-CG 4.21Å; L541-K549 HydrophobicContact CD1-CB 3.91Å; L541-K549 HydrophobicContact CD1-CD 4.36Å; L541-K549 HydrophobicContact CD2-CB 4.34Å; L541-K549 HydrophobicContact CG-CB 4.46Å; L541-Q551 HydrophobicContact CD1-CG 4.43Å
542	S	92.2	Very high	90.4	Very high	55 Å²	55	73 Å²	73	39%	0.385	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	123.7	170	-47.6	0	0	0	0	110.1	E503 I504 K549	E503-S542 VanDerWaalsContact OE2-CB 3.3Å; E503-S542 WeakPolarHBondContact OE2-CB 3.27Å; I504-S542 CarbonylContact O-C 3.56Å; I504-S542 WeakPolarHBondContact O-CA 3.38Å; S542-K549 VanDerWaalsContact O-CD 3.28Å; S542-K549 WeakPolarHBondContact O-CD 3.34Å; S542-K549 WeakPolarHBondContact O-CE 3.3Å; S542-K549 PolarHBondContact O-NZ 2.99Å
543	L	90.5	Very high	90.9	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	151.3	178.5	-66.7	176.8	0	0	0	110.9	M493 F495 E503 I504 L506 L541 K549	M493-L543 HydrophobicContact CB-CD1 4.01Å; F495-L543 HydrophobicContact CD1-CB 3.65Å; F495-L543 HydrophobicContact CD1-CD1 4.1Å; F495-L543 HydrophobicContact CE1-CB 3.73Å; E503-L543 WeakPolarHBondContact CA-O 3.49Å; I504-L543 PolarHBondContact N-O 3.24Å; I504-L543 PolarHBondContact O-N 2.78Å; L506-L543 HydrophobicContact CD1-CD1 3.61Å; L506-L543 HydrophobicContact CG-CD1 4.21Å; L541-L543 HydrophobicContact CD2-CD2 3.95Å; L541-L543 HydrophobicContact CD2-CG 4.38Å; L541-L543 HydrophobicContact CG-CD2 3.98Å; L541-L543 HydrophobicContact CG-CG 4.21Å; L543-K549 HydrophobicContact CD2-CB 3.77Å; L543-K549 HydrophobicContact CD2-CD 4.05Å; L543-K549 HydrophobicContact CD2-CG 3.84Å
544	E	88.7	Confident	91.2	Very high	56 Å²	56	68.1 Å²	68.1	26%	0.262	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	154.3	164	-64.8	166.4	-100.2	0	0	108.6	F495 E503 N546 R547	F495-E544 VanDerWaalsContact CE1-C 3.48Å; E503-E544 HydrophobicContact CG-CG 3.75Å; E544-N546 PolarHBondContact O-N 2.91Å; E544-R547 HydrophobicContact CB-CB 4.2Å; E544-R547 HydrophobicContact CB-CG 4.16Å; E544-R547 PolarHBondContact O-N 2.84Å; E544-R547 VanDerWaalsContact O-N 3.16Å; E544-R547 WeakPolarHBondContact OE1-CD 3.5Å; E544-R547 IonicContact OE1-CZ 3.72Å; E544-R547 IonicContact OE1-NE 2.7Å; E544-R547 IonicContact OE1-NH1 2.74Å; E544-R547 PolarHBondContact OE1-NH1 2.74Å; E544-R547 IonicContact OE2-CZ 2.65Å; E544-R547 IonicContact OE2-NE 2.73Å; E544-R547 PolarHBondContact OE2-NE 2.83Å; E544-R547 IonicContact OE2-NH1 3.73Å; E544-R547 PolarHBondContact OE2-NH1 3.08Å; E544-R547 IonicContact OE2-NH2 3.5Å
545	I	87.8	Confident	91.4	Very high	61 Å²	61	65.9 Å²	65.9	31%	0.313	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	133.6	177.4	-173.7	172.9	0	0	0	111.8	F495 G497 V500 R547	F495-I545 HydrophobicContact CE2-CB 3.86Å; F495-I545 HydrophobicContact CE2-CG1 4.11Å; F495-I545 HydrophobicContact CZ-CB 3.9Å; G497-I545 VanDerWaalsContact O-CD1 3.3Å; G497-I545 WeakPolarHBondContact O-CD1 3.44Å; V500-I545 HydrophobicContact CB-CD1 4.41Å; I545-R547 PolarHBondContact O-N 2.92Å; I545-R547 VanDerWaalsContact O-N 3.07Å
546	N	86.7	Confident	91.7	Very high	111 Å²	111	65.9 Å²	65.9	59%	0.594	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	16.5	-178.8	-60.5	-38.7	0	0	0	115.6	F495 R496 E544	F495-N546 PolarHBondContact O-N 3.45Å; R496-N546 WeakPolarHBondContact CG-OD1 3.46Å; E544-N546 PolarHBondContact O-N 2.91Å
547	R	90.9	Very high	91.6	Very high	139 Å²	139	63.1 Å²	63.1	53%	0.525	30%	0.304	S	S	.	.			trans	-106.9	129.9	171.5	-67	-166	179	174.1	-0.2	111.6	H494 E544 I545	H494-R547 WeakPolarHBondContact CB-O 3.31Å; E544-R547 HydrophobicContact CB-CB 4.2Å; E544-R547 HydrophobicContact CB-CG 4.16Å; E544-R547 PolarHBondContact O-N 2.84Å; E544-R547 VanDerWaalsContact O-N 3.16Å; E544-R547 WeakPolarHBondContact OE1-CD 3.5Å; E544-R547 IonicContact OE1-CZ 3.72Å; E544-R547 IonicContact OE1-NE 2.7Å; E544-R547 IonicContact OE1-NH1 2.74Å; E544-R547 PolarHBondContact OE1-NH1 2.74Å; E544-R547 IonicContact OE2-CZ 2.65Å; E544-R547 IonicContact OE2-NE 2.73Å; E544-R547 PolarHBondContact OE2-NE 2.83Å; E544-R547 IonicContact OE2-NH1 3.73Å; E544-R547 PolarHBondContact OE2-NH1 3.08Å; E544-R547 IonicContact OE2-NH2 3.5Å; I545-R547 PolarHBondContact O-N 2.92Å; I545-R547 VanDerWaalsContact O-N 3.07Å
548	E	93.4	Very high	91.5	Very high	102 Å²	102	65.7 Å²	65.7	48%	0.477	32%	0.315	S	S	.	.			trans	-82.8	137.9	171.4	-171.7	175.4	-117.5	0	0	111.3	C492 M493 H494	C492-E548 HydrophobicContact CB-CG 4.04Å; C492-E548 WeakPolarHBondContact CB-OE1 3.32Å; M493-E548 WeakPolarHBondContact O-CA 3.28Å; H494-E548 HydrophobicContact CB-CB 4.05Å
549	K	95	Very high	90.7	Very high	66 Å²	66	67.3 Å²	67.3	29%	0.287	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.5	164.2	-59.5	-175.9	-167.9	171.1	0	108.7	M493 E503 L541 S542 L543	M493-K549 PolarHBondContact N-O 3.46Å; M493-K549 PolarHBondContact O-N 2.84Å; E503-K549 IonicContact OE2-NZ 3.27Å; L541-K549 HydrophobicContact CD1-CB 3.91Å; L541-K549 HydrophobicContact CD1-CD 4.36Å; L541-K549 HydrophobicContact CD2-CB 4.34Å; L541-K549 HydrophobicContact CG-CB 4.46Å; S542-K549 VanDerWaalsContact O-CD 3.28Å; S542-K549 WeakPolarHBondContact O-CD 3.34Å; S542-K549 WeakPolarHBondContact O-CE 3.3Å; S542-K549 PolarHBondContact O-NZ 2.99Å; L543-K549 HydrophobicContact CD2-CB 3.77Å; L543-K549 HydrophobicContact CD2-CD 4.05Å; L543-K549 HydrophobicContact CD2-CG 3.84Å
550	C	95	Very high	89.7	Confident	64 Å²	64	72.7 Å²	72.7	43%	0.432	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.8	-178.3	-57.8	0	0	0	0	111.3	T490 V491 C492	T490-C550 HydrophobicContact CG2-CB 3.96Å; V491-C550 CarbonylContact O-C 3.55Å; V491-C550 VanDerWaalsContact O-CA 3.3Å; V491-C550 WeakPolarHBondContact O-CA 3.16Å; C492-C550 HydrophobicContact CB-CB 4.08Å; C492-C550 WeakPolarHBondContact CB-SG 3.39Å; C492-C550 WeakPolarHBondContact SG-CB 3.18Å; C492-C550 CovalentContact SG-SG 2.04Å; C492-C550 PolarHBondContact SG-SG 3.15Å
551	Q	94.7	Very high	88.8	Confident	48 Å²	48	68 Å²	68	22%	0.224	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.7	171.6	-69.9	175.1	-32.4	0	0	110.1	T490 V491 Y508 L541 Y553	T490-Q551 WeakPolarHBondContact CA-O 3.13Å; V491-Q551 PolarHBondContact N-O 2.96Å; V491-Q551 PolarHBondContact O-N 3.42Å; Y508-Q551 PolarHBondContact OH-OE1 3.23Å; L541-Q551 HydrophobicContact CD1-CG 4.43Å; Q551-Y553 HydrophobicContact CB-CE2 3.7Å; Q551-Y553 VanDerWaalsContact CB-OH 3.31Å; Q551-Y553 WeakPolarHBondContact CB-OH 3.21Å; Q551-Y553 PolarHBondContact OE1-OH 2.82Å; Q551-Y553 VanDerWaalsContact OE1-OH 3.06Å
552	R	94.6	Very high	87.7	Confident	176 Å²	176	74.9 Å²	74.9	66%	0.664	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	134	-173.9	-69.2	-178.7	63.8	141.4	-1.2	110.6	I489 T490	I489-R552 WeakPolarHBondContact O-CA 3.24Å; T490-R552 HydrophobicContact CG2-CG 3.82Å
553	Y	93.1	Very high	86.7	Confident	20 Å²	20	74.1 Å²	74.1	8%	0.078	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.2	-176.3	-61.2	-78.1	0	0	0	110.6	N488 I489 V491 Y508 L510 M537 Q539 Q551	N488-Y553 CarbonylContact C-O 3.49Å; N488-Y553 WeakPolarHBondContact CA-O 3.49Å; I489-Y553 PolarHBondContact N-O 2.81Å; I489-Y553 PolarHBondContact O-N 2.76Å; V491-Y553 HydrophobicContact CG2-CD2 4.45Å; V491-Y553 HydrophobicContact CG2-CE2 4.49Å; Y508-Y553 WeakPolarHBondContact OH-CE2 3.45Å; Y508-Y553 PolarHBondContact OH-OH 2.88Å; L510-Y553 HydrophobicContact CD2-CD2 3.68Å; L510-Y553 HydrophobicContact CD2-CE2 4.33Å; L510-Y553 HydrophobicContact CD2-CG 3.86Å; M537-Y553 HydrophobicContact SD-CD1 3.58Å; M537-Y553 VanDerWaalsContact SD-CD1 3.58Å; M537-Y553 HydrophobicContact SD-CE1 4.09Å; M537-Y553 HydrophobicContact SD-CG 4.48Å; Q539-Y553 HydrophobicContact CG-CE1 4.14Å; Q539-Y553 WeakPolarHBondContact CG-OH 3.33Å; Q539-Y553 PolarHBondContact OE1-OH 3.5Å; Q551-Y553 HydrophobicContact CB-CE2 3.7Å; Q551-Y553 VanDerWaalsContact CB-OH 3.31Å; Q551-Y553 WeakPolarHBondContact CB-OH 3.21Å; Q551-Y553 PolarHBondContact OE1-OH 2.82Å; Q551-Y553 VanDerWaalsContact OE1-OH 3.06Å
554	T	91.4	Very high	86	Confident	54 Å²	54	75.2 Å²	75.2	33%	0.331	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.5	172	-52.9	0	0	0	0	109	C486 Y556	C486-T554 HydrophobicContact CB-CG2 4.23Å; C486-T554 WeakPolarHBondContact SG-CG2 3.34Å; T554-Y556 HydrophobicContact CG2-CE1 4.43Å; T554-Y556 HydrophobicContact CG2-CE2 3.88Å
555	A	92.5	Very high	85.2	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138	-178.9	0	0	0	0	0	110.4	C486 F487 I489 I525 F527	C486-A555 CarbonylContact C-O 3.57Å; C486-A555 WeakPolarHBondContact CA-O 3.4Å; C486-A555 VanDerWaalsContact CB-O 3.24Å; C486-A555 WeakPolarHBondContact CB-O 3.45Å; F487-A555 HydrophobicContact CD2-CB 4.34Å; F487-A555 HydrophobicContact CE1-CB 4.28Å; F487-A555 HydrophobicContact CE2-CB 3.98Å; F487-A555 HydrophobicContact CZ-CB 3.95Å; F487-A555 PolarHBondContact N-O 2.9Å; F487-A555 PolarHBondContact O-N 2.97Å; I489-A555 HydrophobicContact CD1-CB 3.75Å; I489-A555 HydrophobicContact CG1-CB 4.21Å; I525-A555 HydrophobicContact CG2-CB 3.86Å; F527-A555 HydrophobicContact CD1-CB 4.05Å; F527-A555 HydrophobicContact CE1-CB 3.83Å
556	Y	90.6	Very high	84.9	Confident	33 Å²	33	75.5 Å²	75.5	13%	0.129	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.8	-172.7	-61.4	-97.2	0	0	0	110.9	L484 C486 I525 Y526 T528 T554	L484-Y556 HydrophobicContact CB-CD1 4.47Å; L484-Y556 HydrophobicContact CD1-CD1 4.06Å; L484-Y556 HydrophobicContact CD1-CE1 4.49Å; C486-Y556 HydrophobicContact CB-CD1 3.43Å; C486-Y556 VanDerWaalsContact CB-CD1 3.43Å; C486-Y556 HydrophobicContact CB-CE1 3.75Å; C486-Y556 HydrophobicContact CB-CG 3.96Å; I525-Y556 CarbonylContact C-O 3.51Å; I525-Y556 VanDerWaalsContact CA-O 3.31Å; I525-Y556 WeakPolarHBondContact CA-O 3.36Å; Y526-Y556 WeakPolarHBondContact CD1-O 3.37Å; Y526-Y556 HydrophobicContact CE2-CD2 4.24Å; Y526-Y556 HydrophobicContact CE2-CG 4.04Å; Y526-Y556 PolarHBondContact N-O 3.37Å; Y526-Y556 PolarHBondContact O-N 2.98Å; T528-Y556 HydrophobicContact CG2-CD2 4.11Å; T528-Y556 HydrophobicContact CG2-CE2 4.01Å; T528-Y556 WeakPolarHBondContact OG1-CE2 3.17Å; T554-Y556 HydrophobicContact CG2-CE1 4.43Å; T554-Y556 HydrophobicContact CG2-CE2 3.88Å
557	V	89.5	Confident	84.9	Confident	5 Å²	5	71.7 Å²	71.7	3%	0.03	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136.4	174.9	-165.5	0	0	0	0	109.4	I470 I472 N485 F487 I525 V561 F612	I470-V557 HydrophobicContact CG2-CG2 3.9Å; I472-V557 HydrophobicContact CG2-CG1 4.26Å; I472-V557 HydrophobicContact CG2-CG2 4.41Å; N485-V557 HydrophobicContact CB-CB 4.01Å; N485-V557 HydrophobicContact CB-CG2 3.85Å; N485-V557 PolarHBondContact O-N 2.53Å; F487-V557 HydrophobicContact CE1-CG2 4.23Å; I525-V557 HydrophobicContact CD1-CB 4.14Å; I525-V557 HydrophobicContact CD1-CG1 4.17Å; I525-V557 HydrophobicContact CD1-CG2 3.81Å; V557-V561 HydrophobicContact CG1-CG2 3.85Å; V557-F612 HydrophobicContact CG1-CE1 3.84Å; V557-F612 HydrophobicContact CG1-CZ 4.15Å; V557-F612 HydrophobicContact CG2-CE1 4.46Å
558	K	86.6	Confident	85	Confident	75 Å²	75	65 Å²	65	33%	0.326	31%	0.311	S	S	.	.			trans	-67.8	153.1	171.4	-68.5	-177.5	-179.3	167.2	0	111.4	S523 R524 Y526 E560 V561	S523-K558 WeakPolarHBondContact O-CD 3.19Å; S523-K558 VanDerWaalsContact O-CE 3.24Å; S523-K558 WeakPolarHBondContact O-CE 3.45Å; S523-K558 PolarHBondContact O-NZ 3.32Å; R524-K558 PolarHBondContact O-N 2.81Å; Y526-K558 HydrophobicContact CD1-CG 3.78Å; Y526-K558 HydrophobicContact CE1-CG 4.19Å; K558-E560 PolarHBondContact O-N 2.84Å; K558-V561 HydrophobicContact CB-CG2 4.45Å
559	K	75.1	Confident	85	Confident	152 Å²	152	60.3 Å²	60.3	66%	0.661	29%	0.289	S	S	*	.	S	Bend	trans	-69.1	-32.5	-179.3	-58.5	-168.9	-176.8	-176.4	0	113.4
560	E	71.9	Confident	85	Confident	175 Å²	175	57.2 Å²	57.2	82%	0.818	28%	0.275	S	S	*	.			trans	-108.3	79.5	179.5	-69.4	-179.5	-146.3	0	0	111	K558	K558-E560 PolarHBondContact O-N 2.84Å
561	V	73.4	Confident	85	Confident	23 Å²	23	54.8 Å²	54.8	14%	0.139	26%	0.258	C	S	.	.			trans	-97.4	114.1	170.6	172.7	0	0	0	0	109.2	R524 V557 K558 D563 V564 F612	R524-V561 HydrophobicContact CB-CG1 4.33Å; R524-V561 HydrophobicContact CB-CG2 3.88Å; R524-V561 HydrophobicContact CG-CG1 3.92Å; R524-V561 HydrophobicContact CG-CG2 4.17Å; V557-V561 HydrophobicContact CG1-CG2 3.85Å; K558-V561 HydrophobicContact CB-CG2 4.45Å; V561-D563 VanDerWaalsContact CG1-O 3.27Å; V561-D563 WeakPolarHBondContact CG1-O 3.39Å; V561-V564 HydrophobicContact CG1-CG1 3.97Å; V561-F612 HydrophobicContact CG1-CE2 3.99Å; V561-F612 HydrophobicContact CG1-CZ 3.95Å; V561-F612 HydrophobicContact CG2-CZ 4.48Å
562	K	68.1	Low	85	Confident	158 Å²	158	52.5 Å²	52.5	69%	0.687	25%	0.247	S	C	*	.			trans	-85.2	-25.7	177.2	-51.4	-155.2	176.7	-172.6	0	113.8	F705	K562-F705 HydrophobicContact CB-CE2 4.39Å; K562-F705 HydrophobicContact CB-CZ 4.19Å; K562-F705 HydrophobicContact CD-CE2 4.44Å; K562-F705 HydrophobicContact CD-CZ 4.12Å; K562-F705 HydrophobicContact CG-CE2 4.46Å; K562-F705 HydrophobicContact CG-CZ 3.91Å
563	D	72	Confident	85	Confident	38 Å²	38	45.1 Å²	45.1	20%	0.203	22%	0.224	C	C	.	.			trans	-115	104.4	-177.5	-178.3	-19.4	0	0	0	110	K516 R524 V561 F565 T566	K516-D563 VanDerWaalsContact CE-OD2 3.26Å; K516-D563 WeakPolarHBondContact CE-OD2 3.04Å; K516-D563 IonicContact NZ-OD2 2.79Å; K516-D563 PolarHBondContact NZ-OD2 2.9Å; R524-D563 WeakPolarHBondContact CD-O 3.25Å; R524-D563 PolarHBondContact NH1-O 3.29Å; R524-D563 IonicContact NH1-OD1 3.02Å; V561-D563 VanDerWaalsContact CG1-O 3.27Å; V561-D563 WeakPolarHBondContact CG1-O 3.39Å; D563-F565 PolarHBondContact OD1-N 3.3Å; D563-T566 PolarHBondContact OD1-N 2.97Å; D563-T566 PolarHBondContact OD1-OG1 2.9Å; D563-T566 WeakPolarHBondContact OD2-CG2 3.18Å; D563-T566 PolarHBondContact OD2-OG1 3.13Å
564	V	76.1	Confident	84.9	Confident	24 Å²	24	45 Å²	45	15%	0.145	22%	0.223	C	C	.	.			trans	-103.9	4.1	178.1	-64.2	0	0	0	0	113.4	I472 V561 F612 Y664	I472-V564 HydrophobicContact CD1-CG1 4.06Å; V561-V564 HydrophobicContact CG1-CG1 3.97Å; V564-F612 HydrophobicContact CB-CB 4.3Å; V564-F612 HydrophobicContact CB-CD2 3.98Å; V564-F612 HydrophobicContact CB-CG 4.3Å; V564-F612 HydrophobicContact CG1-CD2 4.2Å; V564-F612 HydrophobicContact CG1-CG 4.42Å; V564-Y664 HydrophobicContact CG2-CD1 3.67Å; V564-Y664 HydrophobicContact CG2-CE1 4Å; V564-Y664 HydrophobicContact CG2-CG 4.47Å
565	F	70.3	Confident	84.9	Confident	61 Å²	61	45.2 Å²	45.2	27%	0.268	23%	0.227	S	C	.	.	S	Bend	trans	-101.8	-42.7	-177	-76	-80.3	0	0	0	114	D563 A567 Y664 A741	D563-F565 PolarHBondContact OD1-N 3.3Å; F565-A567 PolarHBondContact O-N 3.34Å; F565-Y664 HydrophobicContact CE2-CD2 4.43Å; F565-Y664 AromaticContact CE2-CG 4Å; F565-Y664 HydrophobicContact CE2-CG 4Å; F565-Y664 AromaticContact CZ-CD2 3.87Å; F565-Y664 HydrophobicContact CZ-CD2 3.87Å; F565-Y664 AromaticContact CZ-CG 3.91Å; F565-Y664 HydrophobicContact CZ-CG 3.91Å; F565-A741 HydrophobicContact CD2-CB 3.77Å; F565-A741 HydrophobicContact CE2-CB 3.35Å; F565-A741 HydrophobicContact CZ-CB 3.83Å
566	T	82.9	Confident	84.8	Confident	62 Å²	62	47.7 Å²	47.7	38%	0.38	24%	0.24	S	C	.	.	S	Bend	trans	-68	137.1	-178.2	55	0	0	0	0	109.5	R524 D563	R524-T566 PolarHBondContact NH1-O 3.06Å; R524-T566 PolarHBondContact NH1-OG1 3.46Å; R524-T566 VanDerWaalsContact NH1-OG1 3.13Å; R524-T566 PolarHBondContact NH2-O 2.92Å; R524-T566 PolarHBondContact NH2-OG1 2.83Å; D563-T566 PolarHBondContact OD1-N 2.97Å; D563-T566 PolarHBondContact OD1-OG1 2.9Å; D563-T566 WeakPolarHBondContact OD2-CG2 3.18Å; D563-T566 PolarHBondContact OD2-OG1 3.13Å
567	A	86.3	Confident	84.7	Confident	30 Å²	30	47.5 Å²	47.5	25%	0.248	25%	0.248	C	C	.	.			trans	-53.2	148.1	175.4	0	0	0	0	0	111.2	R524 F565 T569 E609	R524-A567 PolarHBondContact NH2-O 2.92Å; F565-A567 PolarHBondContact O-N 3.34Å; A567-T569 PolarHBondContact O-N 2.85Å; A567-E609 HydrophobicContact CB-CB 4.07Å; A567-E609 HydrophobicContact CB-CG 3.99Å; A567-E609 WeakPolarHBondContact CB-OE2 3.28Å
568	I	91.9	Very high	84.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	92.8	174.5	-46.7	-173.4	0	0	0	107.8	I470 D513 I525 F570 T610 F612	I470-I568 HydrophobicContact CD1-CD1 3.56Å; D513-I568 HydrophobicContact CB-CG2 4.19Å; I525-I568 HydrophobicContact CD1-CD1 3.98Å; I525-I568 HydrophobicContact CG1-CD1 4.03Å; I525-I568 HydrophobicContact CG1-CG2 3.71Å; I568-F570 HydrophobicContact CB-CE2 4.23Å; I568-F570 HydrophobicContact CG2-CD2 4.35Å; I568-F570 HydrophobicContact CG2-CE2 3.63Å; I568-F570 HydrophobicContact CG2-CZ 4.03Å; I568-F570 WeakPolarHBondContact O-CD2 3.42Å; I568-F570 PolarHBondContact O-N 2.91Å; I568-T610 HydrophobicContact CB-CG2 4.12Å; I568-T610 PolarHBondContact N-O 2.87Å; I568-T610 PolarHBondContact O-N 3.12Å; I568-F612 HydrophobicContact CD1-CD2 4.21Å; I568-F612 HydrophobicContact CD1-CE1 3.95Å; I568-F612 HydrophobicContact CD1-CE2 3.58Å; I568-F612 HydrophobicContact CD1-CZ 3.44Å; I568-F612 VanDerWaalsContact CD1-CZ 3.44Å; I568-F612 HydrophobicContact CG1-CE2 4.06Å; I568-F612 HydrophobicContact CG1-CZ 4.4Å
569	T	94.1	Very high	84.6	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.018	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	116.1	-178.3	-36.9	0	0	0	0	110.8	D513 V514 D515 A567 K607 E609	D513-T569 WeakPolarHBondContact CA-O 3.49Å; D513-T569 PolarHBondContact N-O 2.98Å; V514-T569 WeakPolarHBondContact CG2-O 3.45Å; V514-T569 PolarHBondContact N-O 2.85Å; D515-T569 VanDerWaalsContact OD2-CB 3.25Å; D515-T569 WeakPolarHBondContact OD2-CB 3.29Å; D515-T569 WeakPolarHBondContact OD2-CG2 3.46Å; D515-T569 PolarHBondContact OD2-OG1 3.15Å; A567-T569 PolarHBondContact O-N 2.85Å; T569-K607 HydrophobicContact CG2-CB 4.2Å; T569-K607 HydrophobicContact CG2-CD 3.65Å; T569-K607 HydrophobicContact CG2-CG 3.99Å; T569-E609 HydrophobicContact CG2-CG 3.94Å
570	F	95.1	Very high	85.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	137.1	167.5	-71.1	-89.3	0	0	0	109.5	L466 F487 I489 L510 T511 A512 I525 F527 I568 K607 N608 T610	L466-F570 HydrophobicContact CD1-CB 4.46Å; L466-F570 HydrophobicContact CD1-CD2 3.82Å; L466-F570 HydrophobicContact CD1-CG 4.5Å; L466-F570 HydrophobicContact CD2-CB 4.46Å; L466-F570 HydrophobicContact CD2-CD2 3.64Å; L466-F570 HydrophobicContact CD2-CE2 4.06Å; L466-F570 HydrophobicContact CD2-CG 4.04Å; L466-F570 HydrophobicContact CG-CD2 4.42Å; F487-F570 HydrophobicContact CE2-CE2 4.2Å; F487-F570 HydrophobicContact CE2-CZ 4Å; F487-F570 HydrophobicContact CZ-CE2 4.14Å; F487-F570 AromaticContact CZ-CZ 3.8Å; F487-F570 HydrophobicContact CZ-CZ 3.8Å; I489-F570 HydrophobicContact CD1-CD1 3.61Å; I489-F570 HydrophobicContact CD1-CD2 4.41Å; I489-F570 HydrophobicContact CD1-CE1 3.21Å; I489-F570 HydrophobicContact CD1-CE2 4.09Å; I489-F570 HydrophobicContact CD1-CG 4.2Å; I489-F570 HydrophobicContact CD1-CZ 3.49Å; I489-F570 VanDerWaalsContact CD1-CZ 3.49Å; L510-F570 HydrophobicContact CD1-CD1 4.36Å; T511-F570 WeakPolarHBondContact O-CA 3.46Å; A512-F570 HydrophobicContact CB-CD1 3.93Å; A512-F570 HydrophobicContact CB-CE1 3.43Å; A512-F570 VanDerWaalsContact CB-CE1 3.43Å; A512-F570 HydrophobicContact CB-CZ 4.24Å; I525-F570 HydrophobicContact CG1-CZ 4.27Å; I525-F570 HydrophobicContact CG2-CE1 4.3Å; I525-F570 HydrophobicContact CG2-CZ 4.08Å; F527-F570 HydrophobicContact CZ-CD1 4.33Å; F527-F570 HydrophobicContact CZ-CE1 4Å; I568-F570 HydrophobicContact CB-CE2 4.23Å; I568-F570 HydrophobicContact CG2-CD2 4.35Å; I568-F570 HydrophobicContact CG2-CE2 3.63Å; I568-F570 HydrophobicContact CG2-CZ 4.03Å; I568-F570 WeakPolarHBondContact O-CD2 3.42Å; I568-F570 PolarHBondContact O-N 2.91Å; F570-K607 CarbonylContact O-C 3.48Å; F570-K607 VanDerWaalsContact O-CA 3.23Å; F570-K607 WeakPolarHBondContact O-CA 3.32Å; F570-N608 PolarHBondContact N-O 3.15Å; F570-N608 PolarHBondContact O-N 3.18Å; F570-T610 HydrophobicContact CD2-CG2 4.3Å; F570-T610 HydrophobicContact CE2-CG2 3.86Å
571	E	95.3	Very high	85.4	Confident	13 Å²	13	44 Å²	44	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.4	176.8	-176.8	-167.5	76.9	0	0	109.3	T511 V514 K603 A605 V606 K607	T511-E571 PolarHBondContact N-O 3.32Å; T511-E571 PolarHBondContact O-N 2.82Å; V514-E571 HydrophobicContact CB-CB 4.37Å; V514-E571 HydrophobicContact CG1-CB 4.33Å; V514-E571 HydrophobicContact CG2-CB 3.35Å; E571-K603 IonicContact OE1-NZ 3.34Å; E571-K603 PolarHBondContact OE1-NZ 2.97Å; E571-K603 IonicContact OE2-NZ 2.66Å; E571-K603 PolarHBondContact OE2-NZ 3.34Å; E571-A605 HydrophobicContact CG-CB 3.71Å; E571-V606 CarbonylContact C-O 3.57Å; E571-V606 WeakPolarHBondContact CA-O 3.22Å; E571-K607 HydrophobicContact CB-CG 4.03Å; E571-K607 HydrophobicContact CG-CG 4.11Å
572	V	95.2	Very high	84.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	104.2	166.5	172.7	0	0	0	0	107.7	V462 I464 V491 M493 Y508 L510 A605 V606	V462-V572 HydrophobicContact CG1-CB 4.17Å; V462-V572 HydrophobicContact CG1-CG1 3.87Å; I464-V572 HydrophobicContact CD1-CB 3.95Å; I464-V572 HydrophobicContact CD1-CG2 3.65Å; I464-V572 HydrophobicContact CG1-CB 4.37Å; I464-V572 HydrophobicContact CG1-CG2 3.86Å; V491-V572 HydrophobicContact CG1-CG1 4.21Å; V491-V572 HydrophobicContact CG1-CG2 3.95Å; V491-V572 HydrophobicContact CG2-CG2 3.82Å; M493-V572 HydrophobicContact CE-CG1 3.44Å; M493-V572 VanDerWaalsContact CE-CG1 3.44Å; Y508-V572 HydrophobicContact CD2-CG1 3.77Å; Y508-V572 HydrophobicContact CE2-CG1 4.4Å; Y508-V572 HydrophobicContact CG-CG1 4.39Å; L510-V572 HydrophobicContact CB-CG2 4.42Å; L510-V572 HydrophobicContact CD1-CG2 3.65Å; V572-A605 CarbonylContact O-C 3.57Å; V572-A605 VanDerWaalsContact O-CA 3.25Å; V572-A605 WeakPolarHBondContact O-CA 3.5Å; V572-V606 PolarHBondContact N-O 2.95Å; V572-V606 PolarHBondContact O-N 2.75Å
573	A	93.2	Very high	84.4	Confident	21 Å²	21	44.4 Å²	44.4	17%	0.174	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.8	171.4	0	0	0	0	0	109.5	Y508 N509 I604 A605	Y508-A573 CarbonylContact C-O 3.56Å; Y508-A573 VanDerWaalsContact CA-O 3.27Å; Y508-A573 WeakPolarHBondContact CA-O 3.29Å; Y508-A573 WeakPolarHBondContact CB-O 3.45Å; N509-A573 PolarHBondContact N-O 2.95Å; N509-A573 PolarHBondContact O-N 3.49Å; N509-A573 VanDerWaalsContact O-N 3.12Å; A573-I604 WeakPolarHBondContact CA-O 3.3Å; A573-A605 HydrophobicContact CB-CB 3.92Å
574	Y	92.3	Very high	83.3	Confident	17 Å²	17	49.1 Å²	49.1	7%	0.067	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.5	-172.3	62.4	-86.4	0	0	0	113.5	V460 V462 L507 L596 I604	V460-Y574 HydrophobicContact CB-CD2 4.36Å; V460-Y574 HydrophobicContact CB-CE2 3.57Å; V460-Y574 HydrophobicContact CG1-CD2 4.41Å; V460-Y574 HydrophobicContact CG1-CE2 4Å; V460-Y574 HydrophobicContact CG2-CD2 4.43Å; V460-Y574 HydrophobicContact CG2-CE2 3.88Å; V460-Y574 PolarHBondContact O-OH 2.92Å; V462-Y574 HydrophobicContact CG2-CD1 3.95Å; V462-Y574 HydrophobicContact CG2-CE1 3.66Å; L507-Y574 CarbonylContact O-C 3.59Å; L507-Y574 WeakPolarHBondContact O-CA 3.38Å; Y574-L596 HydrophobicContact CD2-CD1 4.1Å; Y574-L596 HydrophobicContact CE2-CD1 4.15Å; Y574-L596 HydrophobicContact CE2-CD2 4.35Å; Y574-I604 HydrophobicContact CD1-CG2 4.03Å; Y574-I604 HydrophobicContact CD2-CG2 3.75Å; Y574-I604 HydrophobicContact CE1-CG2 3.66Å; Y574-I604 HydrophobicContact CE2-CG2 3.35Å; Y574-I604 HydrophobicContact CG-CG2 4.08Å; Y574-I604 PolarHBondContact N-O 3.24Å
575	S	91.4	Very high	81.9	Confident	59 Å²	59	57.5 Å²	57.5	41%	0.413	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	161.5	178.5	60.3	0	0	0	0	110.7	L507	L507-S575 PolarHBondContact N-O 3.28Å; L507-S575 PolarHBondContact O-N 3.11Å
576	L	90.1	Very high	81.1	Confident	53 Å²	53	62.4 Å²	62.4	28%	0.277	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	139.9	171.4	-76.1	159.1	0	0	0	111.3	I458 I504 L506 P594 L596	I458-L576 HydrophobicContact CD1-CD2 3.99Å; I504-L576 HydrophobicContact CG2-CD2 3.43Å; I504-L576 VanDerWaalsContact CG2-CD2 3.43Å; L506-L576 HydrophobicContact CD2-CD2 4.08Å; L576-P594 WeakPolarHBondContact CD1-O 3.48Å; L576-L596 HydrophobicContact CD1-CD2 4.23Å; L576-L596 HydrophobicContact CD1-CG 3.85Å; L576-L596 HydrophobicContact CD2-CD2 4.28Å; L576-L596 HydrophobicContact CG-CD1 4.34Å; L576-L596 HydrophobicContact CG-CD2 3.93Å; L576-L596 HydrophobicContact CG-CG 3.83Å
577	G	88.1	Confident	80.1	Confident	29 Å²	29	67.1 Å²	67.1	30%	0.299	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	-134.7	162.6	0	0	0	0	0	110	E505	E505-G577 WeakPolarHBondContact O-CA 3.48Å; E505-G577 PolarHBondContact O-N 3.06Å
578	K	86.9	Confident	79.5	Confident	147 Å²	147	69.7 Å²	69.7	64%	0.639	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	139.4	178.2	-65.5	166.3	-174.3	166.4	0	112.9	E505 V580	E505-K578 HydrophobicContact CB-CB 4.47Å; E505-K578 WeakPolarHBondContact CB-O 3.45Å; E505-K578 PolarHBondContact N-O 2.89Å; E505-K578 WeakPolarHBondContact OE2-CB 3.46Å; E505-K578 PolarHBondContact OE2-N 3.02Å; K578-V580 HydrophobicContact CB-CG2 4.33Å
579	H	87.3	Confident	79.1	Confident	40 Å²	40	70.6 Å²	70.6	19%	0.185	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	128.4	162.8	-178.8	-150.6	0	0	0	108.7	P501 T593 P594	P501-H579 PolarHBondContact O-NE2 3.11Å; H579-T593 HydrophobicContact CB-CG2 4.45Å; H579-P594 VanDerWaalsContact ND1-CD 3.31Å; H579-P594 WeakPolarHBondContact ND1-CD 3.46Å
580	V	84.3	Confident	78.4	Confident	80 Å²	80	73.3 Å²	73.3	49%	0.485	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	98.4	-173.2	-176.7	0	0	0	0	109.7	G502 E503 K578	G502-V580 WeakPolarHBondContact CA-O 3.31Å; E503-V580 PolarHBondContact N-O 3.3Å; E503-V580 PolarHBondContact O-N 2.86Å; K578-V580 HydrophobicContact CB-CG2 4.33Å
581	T	80	Confident	77.8	Confident	66 Å²	66	76.3 Å²	76.3	41%	0.405	42%	0.422	S	S	.	.			trans	-89.6	125.1	178.9	48.5	0	0	0	0	111.6	P501 G583	P501-T581 HydrophobicContact CB-CG2 4.36Å; P501-T581 HydrophobicContact CG-CG2 3.98Å; T581-G583 PolarHBondContact O-N 2.66Å; T581-G583 VanDerWaalsContact O-N 3.08Å
582	T	63.1	Low	77.4	Confident	134 Å²	134	76.3 Å²	76.3	82%	0.822	42%	0.423	S	S	*	.			trans	-85.9	74.9	-178.6	51	0	0	0	0	112
583	G	56.3	Low	77.1	Confident	56 Å²	56	79.5 Å²	79.5	58%	0.577	44%	0.442	S	S	*	.	S	Bend	trans	122.4	160.8	166.2	0	0	0	0	0	115.8	T581	T581-G583 PolarHBondContact O-N 2.66Å; T581-G583 VanDerWaalsContact O-N 3.08Å
584	Q	49.7	Very low	77	Confident	137 Å²	137	78.7 Å²	78.7	64%	0.64	44%	0.435	S	S	*	.			trans	63.2	82.6	-178.6	-59.7	-172.9	-40.3	0	0	115.6	R587	Q584-R587 HydrophobicContact CB-CG 4.28Å; Q584-R587 VanDerWaalsContact OE1-CZ 3.3Å
585	Q	46.5	Very low	76.9	Confident	199 Å²	199	78.4 Å²	78.4	93%	0.93	44%	0.435	S	S	*	.	S	Bend	trans	-76.4	-22	163.8	-72	-175.4	-42.6	0	0	112.9	R587	Q585-R587 PolarHBondContact O-N 3.41Å
586	D	52.4	Low	76.8	Confident	164 Å²	164	76.8 Å²	76.8	88%	0.877	42%	0.422	S	S	*	.			trans	-95.5	68.5	176.5	-63.2	-59.8	0	0	0	111.9
587	R	62.3	Low	76.6	Confident	161 Å²	161	77.6 Å²	77.6	61%	0.608	42%	0.421	S	S	*	.			trans	-111.8	136.6	159.1	-72.7	-167.2	179.5	-163.9	2.4	109.5	Q584 Q585 L589	Q584-R587 HydrophobicContact CB-CG 4.28Å; Q584-R587 VanDerWaalsContact OE1-CZ 3.3Å; Q585-R587 PolarHBondContact O-N 3.41Å; R587-L589 VanDerWaalsContact CB-O 3.29Å; R587-L589 WeakPolarHBondContact CB-O 3.4Å; R587-L589 PolarHBondContact O-N 2.91Å
588	E	73.1	Confident	76	Confident	84 Å²	84	79.6 Å²	79.6	39%	0.393	42%	0.419	S	S	.	.	S	Bend	trans	-59.6	-32.7	177.3	-176.8	177.5	-169.1	0	0	112.7	S88 N89 P90	S88-E588 WeakPolarHBondContact CA-OE1 3.37Å; S88-E588 WeakPolarHBondContact CA-OE2 3.28Å; S88-E588 VanDerWaalsContact N-CD 3.31Å; S88-E588 PolarHBondContact N-OE1 3.13Å; S88-E588 PolarHBondContact N-OE2 2.94Å; N89-E588 PolarHBondContact N-OE1 3.33Å; P90-E588 WeakPolarHBondContact CD-OE1 3.25Å
589	L	83.4	Confident	75.2	Confident	19 Å²	19	77.4 Å²	77.4	10%	0.099	41%	0.407	C	S	.	.	S	Bend	trans	-111.7	117.3	167.7	-58.8	-179.1	0	0	0	108.2	L35 V86 D432 R587	L35-L589 HydrophobicContact CD1-CD2 3.74Å; L35-L589 HydrophobicContact CD2-CD2 3.89Å; L35-L589 HydrophobicContact CG-CD2 4.41Å; V86-L589 HydrophobicContact CG1-CD1 4.07Å; D432-L589 HydrophobicContact CB-CD1 3.63Å; R587-L589 VanDerWaalsContact CB-O 3.29Å; R587-L589 WeakPolarHBondContact CB-O 3.4Å; R587-L589 PolarHBondContact O-N 2.91Å
590	P	80.7	Confident	74.2	Confident	60 Å²	60	80.2 Å²	80.2	39%	0.39	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-71.9	146.4	178.3	29.3	-33.8	0	0	0	110.5	R453 L592	R453-P590 PolarHBondContact NH1-O 2.99Å; R453-P590 PolarHBondContact NH2-O 3.23Å; P590-L592 PolarHBondContact O-N 2.6Å
591	A	81.9	Confident	73	Confident	63 Å²	63	79.7 Å²	79.7	52%	0.521	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-61.8	130.8	172	0	0	0	0	0	110
592	L	88.1	Confident	72.2	Confident	14 Å²	14	82.3 Å²	82.3	7%	0.073	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-77.3	144.6	-177.5	-67.1	175.5	0	0	0	111.7	D30 R453 S454 R455 P590	D30-L592 HydrophobicContact CB-CD1 4.22Å; D30-L592 HydrophobicContact CB-CD2 3.68Å; D30-L592 VanDerWaalsContact OD2-CD2 3.31Å; D30-L592 WeakPolarHBondContact OD2-CD2 3.34Å; R453-L592 HydrophobicContact CB-CD1 3.73Å; R453-L592 VanDerWaalsContact NH2-CD2 3.34Å; S454-L592 WeakPolarHBondContact O-CD1 3.39Å; R455-L592 HydrophobicContact CB-CB 4.46Å; R455-L592 HydrophobicContact CG-CB 4.24Å; R455-L592 HydrophobicContact CG-CD1 4.06Å; P590-L592 PolarHBondContact O-N 2.6Å
593	T	88.4	Confident	72.5	Confident	67 Å²	67	81.8 Å²	81.8	41%	0.411	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-73	128.6	172.5	55.2	0	0	0	0	109.6	R455 H579	R455-T593 PolarHBondContact NE-O 2.91Å; R455-T593 PolarHBondContact NH2-O 3.39Å; R455-T593 VanDerWaalsContact NH2-O 3.16Å; R455-T593 PolarHBondContact NH2-OG1 3.43Å; H579-T593 HydrophobicContact CB-CG2 4.45Å
594	P	90.7	Very high	73.8	Confident	4 Å²	4	81.6 Å²	81.6	3%	0.026	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-69.8	167.6	-176.5	27.7	-34.8	0	0	0	112.4	P456 I458 I504 L576 H579	P456-P594 HydrophobicContact CB-CB 4.34Å; P456-P594 CarbonylContact O-C 3.6Å; P456-P594 WeakPolarHBondContact O-CA 3.13Å; P456-P594 WeakPolarHBondContact O-CB 3.34Å; I458-P594 HydrophobicContact CG2-CB 4.05Å; I504-P594 HydrophobicContact CD1-CB 4.33Å; I504-P594 HydrophobicContact CD1-CG 3.53Å; I504-P594 HydrophobicContact CG1-CG 4.28Å; L576-P594 WeakPolarHBondContact CD1-O 3.48Å; H579-P594 VanDerWaalsContact ND1-CD 3.31Å; H579-P594 WeakPolarHBondContact ND1-CD 3.46Å
595	V	90.6	Very high	75.7	Confident	11 Å²	11	76.2 Å²	76.2	7%	0.067	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.1	-178	-58.8	0	0	0	0	112.3	Y27 N28 R455 P456 V457 I458	Y27-V595 HydrophobicContact CD2-CG2 4.26Å; Y27-V595 HydrophobicContact CE2-CG2 3.92Å; Y27-V595 WeakPolarHBondContact O-CG1 3.42Å; N28-V595 HydrophobicContact CB-CG2 3.83Å; R455-V595 HydrophobicContact CB-CG1 4.3Å; P456-V595 PolarHBondContact O-N 2.85Å; V457-V595 HydrophobicContact CB-CG2 4.5Å; V457-V595 HydrophobicContact CG2-CG2 3.85Å; I458-V595 PolarHBondContact N-O 2.67Å
596	L	88.8	Confident	77.8	Confident	25 Å²	25	68.4 Å²	68.4	13%	0.131	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	129.1	177	-60.9	178.6	0	0	0	110.2	Y27 I458 V460 Y574 L576 W598 I604	Y27-L596 WeakPolarHBondContact CE2-O 3.34Å; I458-L596 HydrophobicContact CD1-CD2 3.92Å; I458-L596 HydrophobicContact CG1-CD2 3.8Å; V460-L596 HydrophobicContact CG2-CD2 3.69Å; Y574-L596 HydrophobicContact CD2-CD1 4.1Å; Y574-L596 HydrophobicContact CE2-CD1 4.15Å; Y574-L596 HydrophobicContact CE2-CD2 4.35Å; L576-L596 HydrophobicContact CD1-CD2 4.23Å; L576-L596 HydrophobicContact CD1-CG 3.85Å; L576-L596 HydrophobicContact CD2-CD2 4.28Å; L576-L596 HydrophobicContact CG-CD1 4.34Å; L576-L596 HydrophobicContact CG-CD2 3.93Å; L576-L596 HydrophobicContact CG-CG 3.83Å; L596-W598 PolarHBondContact O-N 3.05Å; L596-I604 HydrophobicContact CB-CD1 3.91Å; L596-I604 HydrophobicContact CD1-CD1 3.84Å; L596-I604 HydrophobicContact CD1-CG2 4.23Å
597	R	86.3	Confident	79.8	Confident	70 Å²	70	64.7 Å²	64.7	26%	0.264	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-48.8	130	-177.9	177.8	163.2	-74.2	169.7	5.7	113.1	Y27 D370 D371 V457 I458 R599	Y27-R597 WeakPolarHBondContact OH-CA 3.46Å; D370-R597 PolarHBondContact O-NH2 3.36Å; D370-R597 IonicContact OD2-NE 3.4Å; D371-R597 PolarHBondContact O-NH2 3.13Å; V457-R597 HydrophobicContact CG1-CB 3.8Å; V457-R597 HydrophobicContact CG1-CG 4.35Å; I458-R597 PolarHBondContact O-N 3.14Å; R597-R599 PolarHBondContact O-N 2.95Å
598	W	74.8	Confident	81.3	Confident	70 Å²	70	60.4 Å²	60.4	27%	0.265	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-67.3	119.8	-177.9	-176.6	71.5	0	0	0	111.7	Y27 T402 L596 K600	Y27-W598 HydrophobicContact CD1-CB 3.99Å; Y27-W598 HydrophobicContact CD2-CB 4.01Å; Y27-W598 HydrophobicContact CE1-CB 3.64Å; Y27-W598 HydrophobicContact CE2-CB 3.69Å; Y27-W598 HydrophobicContact CG-CB 4.16Å; Y27-W598 VanDerWaalsContact CZ-CB 3.48Å; Y27-W598 PolarHBondContact OH-N 3.08Å; T402-W598 HydrophobicContact CG2-CH2 4.22Å; T402-W598 HydrophobicContact CG2-CZ3 4.45Å; L596-W598 PolarHBondContact O-N 3.05Å; W598-K600 HydrophobicContact CE3-CG 4.08Å; W598-K600 HydrophobicContact CH2-CB 4.31Å; W598-K600 HydrophobicContact CH2-CG 4.28Å; W598-K600 HydrophobicContact CZ3-CB 4.29Å; W598-K600 HydrophobicContact CZ3-CD 4.4Å; W598-K600 HydrophobicContact CZ3-CG 3.81Å; W598-K600 PolarHBondContact O-N 3.43Å
599	R	69.8	Low	82.3	Confident	101 Å²	101	60.9 Å²	60.9	38%	0.381	33%	0.325	S	S	.	.			trans	-98.8	47.3	179.1	-66.8	-169.6	174.2	-171.1	-0.5	112.7	R597 G601 N602	R597-R599 PolarHBondContact O-N 2.95Å; R599-G601 PolarHBondContact O-N 3.48Å; R599-G601 VanDerWaalsContact O-N 3.11Å; R599-N602 HydrophobicContact CB-CB 4.25Å; R599-N602 WeakPolarHBondContact O-CB 3.47Å; R599-N602 PolarHBondContact O-N 3.41Å; R599-N602 PolarHBondContact O-ND2 3.21Å
600	K	67.4	Low	82.7	Confident	100 Å²	100	60 Å²	60	44%	0.435	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	39.7	-179.8	-52	-154.8	-178.4	-152.7	0	114.2	D397 T402 W598	D397-K600 IonicContact OD2-NZ 3.23Å; D397-K600 PolarHBondContact OD2-NZ 3.02Å; T402-K600 PolarHBondContact OG1-NZ 3.26Å; W598-K600 HydrophobicContact CE3-CG 4.08Å; W598-K600 HydrophobicContact CH2-CB 4.31Å; W598-K600 HydrophobicContact CH2-CG 4.28Å; W598-K600 HydrophobicContact CZ3-CB 4.29Å; W598-K600 HydrophobicContact CZ3-CD 4.4Å; W598-K600 HydrophobicContact CZ3-CG 3.81Å; W598-K600 PolarHBondContact O-N 3.43Å
601	G	57.8	Low	83.1	Confident	69 Å²	69	63.4 Å²	63.4	71%	0.711	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	0	-179.9	0	0	0	0	0	116.6	R599	R599-G601 PolarHBondContact O-N 3.48Å; R599-G601 VanDerWaalsContact O-N 3.11Å
602	N	64.7	Low	83.2	Confident	120 Å²	120	60.6 Å²	60.6	64%	0.642	30%	0.301	S	S	*	.			trans	-71.1	150.1	174.9	-69.5	-67.9	0	0	0	112.5	R599 I604	R599-N602 HydrophobicContact CB-CB 4.25Å; R599-N602 WeakPolarHBondContact O-CB 3.47Å; R599-N602 PolarHBondContact O-N 3.41Å; R599-N602 PolarHBondContact O-ND2 3.21Å; N602-I604 PolarHBondContact O-N 3.09Å
603	K	69.4	Low	82.8	Confident	123 Å²	123	63.3 Å²	63.3	54%	0.535	31%	0.314	S	S	.	.			trans	-59.7	132.9	171.7	180	-175.8	172.1	-168.9	0	110.2	E571 A605	E571-K603 IonicContact OE1-NZ 3.34Å; E571-K603 PolarHBondContact OE1-NZ 2.97Å; E571-K603 IonicContact OE2-NZ 2.66Å; E571-K603 PolarHBondContact OE2-NZ 3.34Å; K603-A605 VanDerWaalsContact C-N 3.31Å; K603-A605 HydrophobicContact CD-CB 4.29Å; K603-A605 HydrophobicContact CG-CB 4.22Å; K603-A605 PolarHBondContact O-N 2.94Å
604	I	83.8	Confident	81.9	Confident	53 Å²	53	64.8 Å²	64.8	27%	0.272	32%	0.315	S	S	.	.	S	Bend	trans	-75.6	85.7	175	-56.4	-179	0	0	0	109.2	A573 Y574 L596 N602	A573-I604 WeakPolarHBondContact CA-O 3.3Å; Y574-I604 HydrophobicContact CD1-CG2 4.03Å; Y574-I604 HydrophobicContact CD2-CG2 3.75Å; Y574-I604 HydrophobicContact CE1-CG2 3.66Å; Y574-I604 HydrophobicContact CE2-CG2 3.35Å; Y574-I604 HydrophobicContact CG-CG2 4.08Å; Y574-I604 PolarHBondContact N-O 3.24Å; L596-I604 HydrophobicContact CB-CD1 3.91Å; L596-I604 HydrophobicContact CD1-CD1 3.84Å; L596-I604 HydrophobicContact CD1-CG2 4.23Å; N602-I604 PolarHBondContact O-N 3.09Å
605	A	88.4	Confident	80.7	Confident	23 Å²	23	69.6 Å²	69.6	19%	0.19	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	150.5	175.5	0	0	0	0	0	111.3	E571 V572 A573 K603	E571-A605 HydrophobicContact CG-CB 3.71Å; V572-A605 CarbonylContact O-C 3.57Å; V572-A605 VanDerWaalsContact O-CA 3.25Å; V572-A605 WeakPolarHBondContact O-CA 3.5Å; A573-A605 HydrophobicContact CB-CB 3.92Å; K603-A605 VanDerWaalsContact C-N 3.31Å; K603-A605 HydrophobicContact CD-CB 4.29Å; K603-A605 HydrophobicContact CG-CB 4.22Å; K603-A605 PolarHBondContact O-N 2.94Å
606	V	91.3	Very high	79.7	Confident	35 Å²	35	71 Å²	71	21%	0.212	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.2	167.9	174.9	0	0	0	0	108.6	V462 I464 E571 V572	V462-V606 HydrophobicContact CB-CB 4.29Å; V462-V606 HydrophobicContact CB-CG2 4Å; V462-V606 HydrophobicContact CG1-CB 4.49Å; I464-V606 HydrophobicContact CD1-CG1 4.24Å; I464-V606 WeakPolarHBondContact CD1-O 3.28Å; E571-V606 CarbonylContact C-O 3.57Å; E571-V606 WeakPolarHBondContact CA-O 3.22Å; V572-V606 PolarHBondContact N-O 2.95Å; V572-V606 PolarHBondContact O-N 2.75Å
607	K	93.4	Very high	78.7	Confident	86 Å²	86	77.6 Å²	77.6	37%	0.374	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	147.9	174.3	-78.3	-179.6	158.4	-162.5	0	110.7	D515 T569 F570 E571	D515-K607 IonicContact OD1-NZ 3.81Å; D515-K607 PolarHBondContact OD1-NZ 2.7Å; D515-K607 IonicContact OD2-NZ 2.76Å; D515-K607 PolarHBondContact OD2-NZ 3.2Å; T569-K607 HydrophobicContact CG2-CB 4.2Å; T569-K607 HydrophobicContact CG2-CD 3.65Å; T569-K607 HydrophobicContact CG2-CG 3.99Å; F570-K607 CarbonylContact O-C 3.48Å; F570-K607 VanDerWaalsContact O-CA 3.23Å; F570-K607 WeakPolarHBondContact O-CA 3.32Å; E571-K607 HydrophobicContact CB-CG 4.03Å; E571-K607 HydrophobicContact CG-CG 4.11Å
608	N	94.8	Very high	77.9	Confident	72 Å²	72	76.2 Å²	76.2	39%	0.385	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	159.8	160.6	-163.9	13.2	0	0	0	109.8	I464 L466 F570	I464-N608 HydrophobicContact CB-CB 3.93Å; I464-N608 HydrophobicContact CD1-CB 4.47Å; I464-N608 HydrophobicContact CG2-CB 4.29Å; I464-N608 PolarHBondContact O-ND2 2.99Å; L466-N608 HydrophobicContact CD1-CB 3.9Å; F570-N608 PolarHBondContact N-O 3.15Å; F570-N608 PolarHBondContact O-N 3.18Å
609	E	93.8	Very high	77.7	Confident	94 Å²	94	81.7 Å²	81.7	44%	0.439	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	152.8	-169.1	-78.1	173.4	-149.5	0	0	112.1	A567 T569	A567-E609 HydrophobicContact CB-CB 4.07Å; A567-E609 HydrophobicContact CB-CG 3.99Å; A567-E609 WeakPolarHBondContact CB-OE2 3.28Å; T569-E609 HydrophobicContact CG2-CG 3.94Å
610	T	92.3	Very high	77.9	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155.7	173.7	180	0	0	0	0	108.6	L466 P467 V468 I470 I568 F570	L466-T610 HydrophobicContact CB-CG2 4.45Å; L466-T610 HydrophobicContact CD1-CG2 4.11Å; P467-T610 WeakPolarHBondContact O-CB 3.4Å; P467-T610 PolarHBondContact O-OG1 2.88Å; V468-T610 PolarHBondContact O-OG1 2.77Å; I470-T610 HydrophobicContact CD1-CG2 3.67Å; I470-T610 HydrophobicContact CG1-CG2 4.45Å; I568-T610 HydrophobicContact CB-CG2 4.12Å; I568-T610 PolarHBondContact N-O 2.87Å; I568-T610 PolarHBondContact O-N 3.12Å; F570-T610 HydrophobicContact CD2-CG2 4.3Å; F570-T610 HydrophobicContact CE2-CG2 3.86Å
611	W	87.9	Confident	78.5	Confident	131 Å²	131	76 Å²	76	50%	0.496	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	159.5	-175.4	49.1	92.7	0	0	0	111.8	V468 S469 I470	V468-W611 HydrophobicContact CG1-CH2 4.07Å; V468-W611 HydrophobicContact CG1-CZ2 3.47Å; V468-W611 VanDerWaalsContact CG1-CZ2 3.47Å; V468-W611 VanDerWaalsContact O-CD2 3.28Å; V468-W611 WeakPolarHBondContact O-CZ2 3.43Å; V468-W611 PolarHBondContact O-NE1 3.36Å; S469-W611 CarbonylContact C-O 3.59Å; S469-W611 WeakPolarHBondContact CA-O 3.36Å; I470-W611 PolarHBondContact N-O 3.39Å
612	F	85.5	Confident	79.7	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.018	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	142.9	166.2	-67.1	-72.7	0	0	0	110.1	I470 I472 V557 V561 V564 I568	I470-F612 HydrophobicContact CB-CD1 4.16Å; I470-F612 HydrophobicContact CG2-CD1 4.19Å; I470-F612 HydrophobicContact CG2-CE1 4.28Å; I472-F612 HydrophobicContact CD1-CD1 4.33Å; I472-F612 HydrophobicContact CG2-CD1 3.53Å; I472-F612 HydrophobicContact CG2-CE1 3.63Å; V557-F612 HydrophobicContact CG1-CE1 3.84Å; V557-F612 HydrophobicContact CG1-CZ 4.15Å; V557-F612 HydrophobicContact CG2-CE1 4.46Å; V561-F612 HydrophobicContact CG1-CE2 3.99Å; V561-F612 HydrophobicContact CG1-CZ 3.95Å; V561-F612 HydrophobicContact CG2-CZ 4.48Å; V564-F612 HydrophobicContact CB-CB 4.3Å; V564-F612 HydrophobicContact CB-CD2 3.98Å; V564-F612 HydrophobicContact CB-CG 4.3Å; V564-F612 HydrophobicContact CG1-CD2 4.2Å; V564-F612 HydrophobicContact CG1-CG 4.42Å; I568-F612 HydrophobicContact CD1-CD2 4.21Å; I568-F612 HydrophobicContact CD1-CE1 3.95Å; I568-F612 HydrophobicContact CD1-CE2 3.58Å; I568-F612 HydrophobicContact CD1-CZ 3.44Å; I568-F612 VanDerWaalsContact CD1-CZ 3.44Å; I568-F612 HydrophobicContact CG1-CE2 4.06Å; I568-F612 HydrophobicContact CG1-CZ 4.4Å
613	E	78.4	Confident	80.8	Confident	72 Å²	72	67.8 Å²	67.8	34%	0.336	35%	0.345	S	S	.	.			trans	-66.8	133.3	176.7	-169.5	157.4	-112.5	0	0	110.9	S469 I470 N471	S469-E613 PolarHBondContact OG-OE1 3.23Å; S469-E613 VanDerWaalsContact OG-OE1 3.04Å; I470-E613 PolarHBondContact O-N 2.88Å; N471-E613 VanDerWaalsContact CB-OE2 3.32Å; N471-E613 WeakPolarHBondContact CB-OE2 3.23Å; N471-E613 PolarHBondContact ND2-OE2 3.44Å
614	K	71.2	Confident	81.8	Confident	98 Å²	98	63.7 Å²	63.7	43%	0.426	33%	0.328	S	S	.	.			trans	-112.3	123	179	-52.2	-179.3	-176.7	175.4	0	109.3	C616	K614-C616 WeakPolarHBondContact CB-SG 3.36Å; K614-C616 PolarHBondContact O-N 3.16Å
615	N	65.4	Low	82.3	Confident	105 Å²	105	61.1 Å²	61.1	56%	0.561	32%	0.315	S	S	*	.			trans	-91.6	71.8	177.7	-68.5	-24.6	0	0	0	110
616	C	68.7	Low	82.5	Confident	41 Å²	41	63.9 Å²	63.9	28%	0.277	32%	0.321	S	S	.	.			trans	-93.1	146.7	179.7	-43.3	0	0	0	0	110.6	K614 C621 D661	K614-C616 WeakPolarHBondContact CB-SG 3.36Å; K614-C616 PolarHBondContact O-N 3.16Å; C616-C621 HydrophobicContact CB-CB 3.63Å; C616-C621 WeakPolarHBondContact CB-SG 3.28Å; C616-C621 WeakPolarHBondContact SG-CB 3.39Å; C616-C621 CovalentContact SG-SG 2.03Å; C616-C621 PolarHBondContact SG-SG 3.07Å; C616-D661 WeakPolarHBondContact CB-OD2 3.3Å
617	L	68.3	Low	82.6	Confident	162 Å²	162	62.8 Å²	62.8	85%	0.848	31%	0.314	S	S	*	.	S	Bend	trans	-96.1	-17.3	171.5	-59.3	172.8	0	0	0	112.1	D661	L617-D661 WeakPolarHBondContact CB-OD1 3.43Å; L617-D661 VanDerWaalsContact N-CG 3.26Å; L617-D661 PolarHBondContact N-OD1 3.4Å; L617-D661 PolarHBondContact N-OD2 2.91Å
618	S	70.1	Confident	82.4	Confident	42 Å²	42	64 Å²	64	29%	0.294	32%	0.321	S	S	.	.	S	Bend	trans	-102.9	148.5	173.3	61.3	0	0	0	0	112	D620 C621 A622 D661	S618-D620 PolarHBondContact O-N 3.39Å; S618-D620 PolarHBondContact OG-OD1 2.7Å; S618-C621 PolarHBondContact O-N 2.75Å; S618-C621 VanDerWaalsContact OG-CA 3.23Å; S618-C621 WeakPolarHBondContact OG-CA 3.4Å; S618-C621 PolarHBondContact OG-N 2.62Å; S618-C621 VanDerWaalsContact OG-N 3.1Å; S618-A622 PolarHBondContact OG-N 2.7Å; S618-A622 VanDerWaalsContact OG-N 3.09Å; S618-D661 WeakPolarHBondContact CB-OD2 3.36Å; S618-D661 PolarHBondContact N-OD2 2.88Å; S618-D661 PolarHBondContact OG-OD2 2.81Å
619	D	69.8	Low	82.1	Confident	184 Å²	184	61.6 Å²	61.6	98%	0.984	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.6	-178.8	-66.7	-42.9	0	0	0	113.4
620	D	74.5	Confident	81.8	Confident	73 Å²	73	64.7 Å²	64.7	39%	0.39	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-4.5	179.6	65.3	-15.1	0	0	0	114.2	S618 A622 P743 H745	S618-D620 PolarHBondContact O-N 3.39Å; S618-D620 PolarHBondContact OG-OD1 2.7Å; D620-A622 PolarHBondContact OD1-N 2.88Å; D620-P743 WeakPolarHBondContact O-CG 3.21Å; D620-H745 IonicContact OD2-CD2 2.76Å; D620-H745 IonicContact OD2-CE1 3Å; D620-H745 PolarHBondContact OD2-CE1 2.9Å; D620-H745 VanDerWaalsContact OD2-CE1 3.27Å; D620-H745 IonicContact OD2-NE2 2.65Å; D620-H745 PolarHBondContact OD2-NE2 2.92Å
621	C	78.9	Confident	81.4	Confident	10 Å²	10	66.3 Å²	66.3	7%	0.068	33%	0.333	C	S	.	.			trans	60.9	39.1	-177.8	-149	0	0	0	0	114.3	C616 S618 N742	C616-C621 HydrophobicContact CB-CB 3.63Å; C616-C621 WeakPolarHBondContact CB-SG 3.28Å; C616-C621 WeakPolarHBondContact SG-CB 3.39Å; C616-C621 CovalentContact SG-SG 2.03Å; C616-C621 PolarHBondContact SG-SG 3.07Å; S618-C621 PolarHBondContact O-N 2.75Å; S618-C621 VanDerWaalsContact OG-CA 3.23Å; S618-C621 WeakPolarHBondContact OG-CA 3.4Å; S618-C621 PolarHBondContact OG-N 2.62Å; S618-C621 VanDerWaalsContact OG-N 3.1Å; C621-N742 PolarHBondContact O-ND2 2.83Å
622	A	84.2	Confident	81.1	Confident	12 Å²	12	63.9 Å²	63.9	10%	0.099	33%	0.329	C	S	.	.			trans	-72.6	134.1	-173.8	0	0	0	0	0	113.9	S618 D620 D661 P743	S618-A622 PolarHBondContact OG-N 2.7Å; S618-A622 VanDerWaalsContact OG-N 3.09Å; D620-A622 PolarHBondContact OD1-N 2.88Å; A622-D661 PolarHBondContact O-N 3.2Å; A622-P743 VanDerWaalsContact CA-O 3.28Å; A622-P743 WeakPolarHBondContact CA-O 3.24Å
623	A	87.6	Confident	80.6	Confident	4 Å²	4	66 Å²	66	3%	0.033	34%	0.34	C	S	.	.			trans	-85.3	159.7	168.8	0	0	0	0	0	111.3	A663 N742 P743	A623-A663 HydrophobicContact CB-CB 3.85Å; A623-N742 HydrophobicContact CB-CB 3.79Å; A623-P743 PolarHBondContact N-O 3.33Å
624	D	90.5	Very high	79.7	Confident	36 Å²	36	65.7 Å²	65.7	19%	0.193	35%	0.347	C	S	.	.			trans	-140.8	70.1	173.2	-177.9	-12.8	0	0	0	108.6	R626 N658 S659 E744	D624-R626 VanDerWaalsContact CG-NH2 3.34Å; D624-R626 IonicContact OD1-CZ 3.53Å; D624-R626 IonicContact OD1-NE 2.66Å; D624-R626 PolarHBondContact OD1-NE 2.88Å; D624-R626 IonicContact OD1-NH2 3.22Å; D624-R626 PolarHBondContact OD1-NH2 2.87Å; D624-R626 IonicContact OD2-CZ 3.73Å; D624-R626 IonicContact OD2-NE 2.77Å; D624-R626 IonicContact OD2-NH2 2.74Å; D624-R626 PolarHBondContact OD2-NH2 2.88Å; D624-N658 PolarHBondContact N-OD1 2.8Å; D624-N658 CarbonylContact O-C 3.52Å; D624-N658 WeakPolarHBondContact O-CA 3.3Å; D624-S659 PolarHBondContact O-N 3.43Å; D624-S659 PolarHBondContact O-OG 2.92Å; D624-E744 WeakPolarHBondContact CA-OE1 3.07Å
625	L	92.7	Very high	79	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	140.7	171.1	-60.7	-175.6	0	0	0	110	I656 S657 N658 A663 T666 A738 E744 N750	L625-I656 HydrophobicContact CD1-CD1 4.49Å; L625-I656 HydrophobicContact CD2-CD1 4.22Å; L625-S657 CarbonylContact C-O 3.52Å; L625-S657 WeakPolarHBondContact CA-O 3.04Å; L625-N658 HydrophobicContact CD2-CB 4.04Å; L625-A663 HydrophobicContact CD2-CB 3.93Å; L625-T666 HydrophobicContact CD1-CG2 4.07Å; L625-T666 HydrophobicContact CD2-CG2 4.03Å; L625-A738 HydrophobicContact CD1-CB 4.28Å; L625-E744 WeakPolarHBondContact CB-OE1 3.33Å; L625-E744 PolarHBondContact N-OE1 2.02Å; L625-N750 VanDerWaalsContact CB-OD1 3.23Å; L625-N750 WeakPolarHBondContact CB-OD1 3.41Å; L625-N750 PolarHBondContact O-OD1 2.98Å
626	R	93	Very high	78.2	Confident	81 Å²	81	67.2 Å²	67.2	31%	0.306	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	123.2	174.8	-52.1	-175.5	-169.7	168.6	3.3	110.5	D624 I656 S657 D749	D624-R626 VanDerWaalsContact CG-NH2 3.34Å; D624-R626 IonicContact OD1-CZ 3.53Å; D624-R626 IonicContact OD1-NE 2.66Å; D624-R626 PolarHBondContact OD1-NE 2.88Å; D624-R626 IonicContact OD1-NH2 3.22Å; D624-R626 PolarHBondContact OD1-NH2 2.87Å; D624-R626 IonicContact OD2-CZ 3.73Å; D624-R626 IonicContact OD2-NE 2.77Å; D624-R626 IonicContact OD2-NH2 2.74Å; D624-R626 PolarHBondContact OD2-NH2 2.88Å; R626-I656 WeakPolarHBondContact O-CA 3.33Å; R626-S657 PolarHBondContact N-O 2.86Å; R626-S657 PolarHBondContact O-N 3.38Å; R626-S657 VanDerWaalsContact O-N 3.15Å; R626-D749 HydrophobicContact CB-CB 4.01Å; R626-D749 WeakPolarHBondContact CD-OD2 3.43Å; R626-D749 HydrophobicContact CG-CB 3.85Å; R626-D749 IonicContact NE-OD2 3.67Å
627	L	93	Very high	77.3	Confident	11 Å²	11	72.1 Å²	72.1	6%	0.058	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	136.6	173.2	-72.1	-169.7	0	0	0	111.7	V654 T655 I656 I668 V736 A738 D749 N750 L752	L627-V654 HydrophobicContact CD2-CG1 4.09Å; L627-T655 WeakPolarHBondContact CA-O 3.14Å; L627-I656 HydrophobicContact CD2-CB 3.85Å; L627-I656 HydrophobicContact CD2-CD1 4.09Å; L627-I656 HydrophobicContact CD2-CG1 4.01Å; L627-I668 HydrophobicContact CD2-CD1 4.05Å; L627-I668 HydrophobicContact CD2-CG1 4.38Å; L627-V736 HydrophobicContact CD1-CB 4.31Å; L627-V736 HydrophobicContact CD1-CG1 3.82Å; L627-A738 HydrophobicContact CD1-CB 3.97Å; L627-A738 HydrophobicContact CD2-CB 3.95Å; L627-A738 HydrophobicContact CG-CB 3.76Å; L627-D749 PolarHBondContact N-O 3.27Å; L627-N750 WeakPolarHBondContact CD1-O 3.34Å; L627-L752 HydrophobicContact CB-CB 4.39Å
628	H	90.9	Very high	76.6	Confident	113 Å²	113	71.8 Å²	71.8	52%	0.523	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	137.4	168.8	-66	67.3	0	0	0	108.4	T655	H628-T655 PolarHBondContact N-O 3.06Å; H628-T655 PolarHBondContact O-N 2.86Å
629	G	87.1	Confident	76.3	Confident	21 Å²	21	74.8 Å²	74.8	22%	0.216	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	170.1	178.4	0	0	0	0	0	114.6	N653	G629-N653 CarbonylContact C-O 3.55Å; G629-N653 WeakPolarHBondContact CA-O 3.32Å
630	K	87.2	Confident	76.3	Confident	158 Å²	158	71.5 Å²	71.5	69%	0.687	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.7	142.3	177.8	-65.8	-169.1	177.9	-172.7	0	110.8	N653	K630-N653 PolarHBondContact N-O 2.95Å; K630-N653 PolarHBondContact O-N 2.96Å
631	L	84.2	Confident	76.4	Confident	35 Å²	35	69.4 Å²	69.4	18%	0.183	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	135.7	171.2	-170.9	151.4	0	0	0	109.8	V650 L652 F734 I756	L631-V650 HydrophobicContact CD1-CG1 3.91Å; L631-V650 HydrophobicContact CD2-CG1 3.69Å; L631-V650 HydrophobicContact CG-CG1 3.58Å; L631-L652 HydrophobicContact CB-CD1 4.05Å; L631-L652 HydrophobicContact CG-CD1 4.46Å; L631-F734 HydrophobicContact CD1-CD2 3.69Å; L631-F734 HydrophobicContact CD1-CE2 3.63Å; L631-I756 HydrophobicContact CD1-CG2 4.1Å; L631-I756 HydrophobicContact CD2-CB 4.39Å; L631-I756 HydrophobicContact CD2-CD1 3.8Å; L631-I756 HydrophobicContact CD2-CG2 4.38Å
632	L	81.1	Confident	76.5	Confident	80 Å²	80	69 Å²	69	42%	0.419	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	124.8	-177.5	-65.8	177.5	0	0	0	110.6	S651 N653	L632-S651 WeakPolarHBondContact CB-OG 3.18Å; L632-S651 PolarHBondContact N-O 2.83Å; L632-S651 PolarHBondContact O-N 3.26Å; L632-S651 PolarHBondContact O-OG 2.89Å; L632-S651 VanDerWaalsContact O-OG 3.04Å; L632-N653 VanDerWaalsContact CD1-ND2 3.31Å; L632-N653 WeakPolarHBondContact CD1-ND2 3.15Å
633	L	75.8	Confident	76.2	Confident	47 Å²	47	68.7 Å²	68.7	25%	0.246	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	142.9	176.9	-65.4	172.8	0	0	0	111.8	G635 R639 L642 V647 V650 I756	L633-G635 PolarHBondContact O-N 2.9Å; L633-R639 WeakPolarHBondContact CD1-O 3.01Å; L633-L642 HydrophobicContact CD2-CB 4.33Å; L633-L642 HydrophobicContact CD2-CD1 4.05Å; L633-L642 HydrophobicContact CD2-CG 4.3Å; L633-V647 HydrophobicContact CD2-CG1 4.22Å; L633-V650 HydrophobicContact CD2-CG2 4.21Å; L633-I756 HydrophobicContact CD1-CD1 4.07Å; L633-I756 HydrophobicContact CD2-CD1 3.72Å; L633-I756 HydrophobicContact CG-CD1 4.04Å
634	S	60.4	Low	75.7	Confident	67 Å²	67	69.1 Å²	69.1	47%	0.469	37%	0.374	S	S	.	.	S	Bend	trans	-83.6	92.4	173.4	-54.5	0	0	0	0	111.2	N649	S634-N649 VanDerWaalsContact CB-O 3.24Å; S634-N649 WeakPolarHBondContact CB-O 3.27Å; S634-N649 PolarHBondContact N-O 2.77Å; S634-N649 PolarHBondContact OG-O 3.33Å
635	G	55.8	Low	74.8	Confident	61 Å²	61	70.4 Å²	70.4	63%	0.629	40%	0.396	S	S	*	.	S	Bend	trans	-176.4	162	176.8	0	0	0	0	0	114	L633 H637	L633-G635 PolarHBondContact O-N 2.9Å; G635-H637 VanDerWaalsContact C-N 3.25Å; G635-H637 PolarHBondContact O-N 3.14Å
636	L	48.9	Very low	73.9	Confident	173 Å²	173	73 Å²	73	91%	0.906	42%	0.417	S	S	*	.	S	Bend	trans	-77.8	-4.1	-174.2	-148.2	79.1	0	0	0	114.3
637	H	49	Very low	73.1	Confident	144 Å²	144	70.3 Å²	70.3	67%	0.667	41%	0.41	S	S	*	.	S	Bend	trans	-132.7	131.7	-179.9	-74.7	-4.2	0	0	0	110.8	G635 R639	G635-H637 VanDerWaalsContact C-N 3.25Å; G635-H637 PolarHBondContact O-N 3.14Å; H637-R639 PolarHBondContact O-N 3Å
638	V	54.5	Low	72.3	Confident	155 Å²	155	78.3 Å²	78.3	94%	0.939	44%	0.439	S	S	*	.			trans	-78.3	85.4	176.9	-175.3	0	0	0	0	109
639	R	64.3	Low	72	Confident	105 Å²	105	75.5 Å²	75.5	40%	0.396	43%	0.428	S	S	.	.			trans	-83.5	145.1	165.7	-64.1	-170.4	-177.8	-173.4	5.1	109.4	L633 H637 H641 E761	L633-R639 WeakPolarHBondContact CD1-O 3.01Å; H637-R639 PolarHBondContact O-N 3Å; R639-H641 PolarHBondContact O-N 2.91Å; R639-E761 IonicContact CZ-OE1 2.7Å; R639-E761 IonicContact CZ-OE2 3.47Å; R639-E761 IonicContact NH1-OE1 3.79Å; R639-E761 PolarHBondContact NH1-OE1 3.17Å; R639-E761 IonicContact NH1-OE2 2.81Å; R639-E761 PolarHBondContact NH1-OE2 3.29Å
640	P	68.8	Low	72	Confident	116 Å²	116	74.5 Å²	74.5	75%	0.753	42%	0.417	S	S	*	.	S	Bend	trans	-76.6	-9.1	179.9	32.5	-36.4	0	0	0	113.5
641	H	77.3	Confident	72	Confident	28 Å²	28	68.1 Å²	68.1	13%	0.13	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	159.2	-173.8	62.6	-86.8	0	0	0	111.7	R639 S757 I759 E761	R639-H641 PolarHBondContact O-N 2.91Å; H641-S757 WeakPolarHBondContact CA-O 3.37Å; H641-I759 HydrophobicContact CB-CD1 3.73Å; H641-I759 HydrophobicContact CB-CG1 4.01Å; H641-E761 IonicContact CD2-OE1 3.6Å; H641-E761 IonicContact CE1-OE1 2.85Å; H641-E761 IonicContact NE2-OE1 3.57Å; H641-E761 PolarHBondContact NE2-OE1 2.84Å
642	L	79.8	Confident	72.3	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.1	172	-169.7	151.1	0	0	0	109.5	L633 L644 V647 V650 T722 I756 S757 L758 I759	L633-L642 HydrophobicContact CD2-CB 4.33Å; L633-L642 HydrophobicContact CD2-CD1 4.05Å; L633-L642 HydrophobicContact CD2-CG 4.3Å; L642-L644 HydrophobicContact CD2-CD2 4.31Å; L642-L644 PolarHBondContact O-N 2.76Å; L642-V647 HydrophobicContact CD1-CB 4.43Å; L642-V647 HydrophobicContact CD1-CG1 4.4Å; L642-V647 HydrophobicContact CD2-CB 4.4Å; L642-V647 HydrophobicContact CG-CB 4.03Å; L642-V647 HydrophobicContact CG-CG1 4.48Å; L642-V647 HydrophobicContact CG-CG2 4.26Å; L642-V650 HydrophobicContact CD1-CG2 3.6Å; L642-T722 HydrophobicContact CD1-CG2 4.1Å; L642-I756 HydrophobicContact CB-CD1 4.18Å; L642-I756 HydrophobicContact CB-CG1 4.4Å; L642-S757 PolarHBondContact N-O 3.07Å; L642-L758 HydrophobicContact CB-CD2 3.96Å; L642-L758 HydrophobicContact CD2-CD2 4.1Å; L642-L758 HydrophobicContact CG-CD2 4.46Å; L642-I759 PolarHBondContact O-N 2.9Å
643	A	77.8	Confident	72.8	Confident	7 Å²	7	65.9 Å²	65.9	6%	0.058	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	115.3	175.1	0	0	0	0	0	110.5	G645 A646 V647 I759 E761	A643-G645 PolarHBondContact O-N 2.84Å; A643-A646 HydrophobicContact CB-CB 3.96Å; A643-A646 PolarHBondContact O-N 2.94Å; A643-A646 VanDerWaalsContact O-N 3.1Å; A643-V647 PolarHBondContact O-N 2.81Å; A643-I759 WeakPolarHBondContact CA-O 3.31Å; A643-E761 HydrophobicContact CB-CG 3.93Å
644	L	78	Confident	73.5	Confident	12 Å²	12	63.7 Å²	63.7	6%	0.063	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	127.2	-171.6	-68.5	170.1	0	0	0	111.8	L642 A646 V725 L758 I759 S811	L642-L644 HydrophobicContact CD2-CD2 4.31Å; L642-L644 PolarHBondContact O-N 2.76Å; L644-A646 PolarHBondContact O-N 2.98Å; L644-V725 HydrophobicContact CD2-CB 4.22Å; L644-V725 HydrophobicContact CD2-CG1 3.63Å; L644-L758 HydrophobicContact CD2-CB 4.27Å; L644-L758 HydrophobicContact CD2-CD1 4.37Å; L644-L758 HydrophobicContact CD2-CD2 4.31Å; L644-L758 HydrophobicContact CG-CB 4.49Å; L644-I759 PolarHBondContact N-O 3.03Å; L644-S811 WeakPolarHBondContact O-CB 3.49Å; L644-S811 PolarHBondContact O-OG 2.79Å
645	G	72.2	Confident	75	Confident	64 Å²	64	62.2 Å²	62.2	66%	0.66	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	-12.8	-176.1	0	0	0	0	0	115.6	A643	A643-G645 PolarHBondContact O-N 2.84Å
646	A	73.3	Confident	76.8	Confident	55 Å²	55	59.3 Å²	59.3	46%	0.455	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-42.5	177.3	0	0	0	0	0	112.6	A643 L644 P810	A643-A646 HydrophobicContact CB-CB 3.96Å; A643-A646 PolarHBondContact O-N 2.94Å; A643-A646 VanDerWaalsContact O-N 3.1Å; L644-A646 PolarHBondContact O-N 2.98Å; A646-P810 HydrophobicContact CB-CB 4.19Å; A646-P810 HydrophobicContact CB-CG 4.46Å
647	V	74.9	Confident	78.8	Confident	23 Å²	23	51.3 Å²	51.3	14%	0.139	29%	0.287	C	S	.	.			trans	-88.2	124.5	174.5	-176	0	0	0	0	109.7	L633 L642 A643 T722	L633-V647 HydrophobicContact CD2-CG1 4.22Å; L642-V647 HydrophobicContact CD1-CB 4.43Å; L642-V647 HydrophobicContact CD1-CG1 4.4Å; L642-V647 HydrophobicContact CD2-CB 4.4Å; L642-V647 HydrophobicContact CG-CB 4.03Å; L642-V647 HydrophobicContact CG-CG1 4.48Å; L642-V647 HydrophobicContact CG-CG2 4.26Å; A643-V647 PolarHBondContact O-N 2.81Å; V647-T722 PolarHBondContact O-OG1 2.81Å; V647-T722 VanDerWaalsContact O-OG1 3.09Å
648	R	77.3	Confident	80.8	Confident	180 Å²	180	44.6 Å²	44.6	68%	0.679	26%	0.256	S	S	*	.			trans	-91.9	-41.1	176.8	-64.1	-173.9	179.7	-171.4	-1.8	113.8	T722 T723	R648-T722 PolarHBondContact O-N 2.73Å; R648-T722 PolarHBondContact O-OG1 3.42Å; R648-T723 HydrophobicContact CB-CG2 4.31Å; R648-T723 HydrophobicContact CG-CG2 4.16Å
649	N	84.2	Confident	82.4	Confident	53 Å²	53	38.7 Å²	38.7	28%	0.283	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.6	-170.4	-62.2	49.3	0	0	0	111.3	S634 I679 F720	S634-N649 VanDerWaalsContact CB-O 3.24Å; S634-N649 WeakPolarHBondContact CB-O 3.27Å; S634-N649 PolarHBondContact N-O 2.77Å; S634-N649 PolarHBondContact OG-O 3.33Å; N649-I679 VanDerWaalsContact ND2-CD1 3.3Å; N649-I679 WeakPolarHBondContact ND2-CD1 3.38Å; N649-F720 CarbonylContact C-O 3.59Å; N649-F720 VanDerWaalsContact CA-O 3.3Å; N649-F720 WeakPolarHBondContact CA-O 3.27Å
650	V	87.1	Confident	83.5	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	141	170.3	176.6	0	0	0	0	108.7	L631 L633 L642 F720 T722	L631-V650 HydrophobicContact CD1-CG1 3.91Å; L631-V650 HydrophobicContact CD2-CG1 3.69Å; L631-V650 HydrophobicContact CG-CG1 3.58Å; L633-V650 HydrophobicContact CD2-CG2 4.21Å; L642-V650 HydrophobicContact CD1-CG2 3.6Å; V650-F720 PolarHBondContact N-O 2.87Å; V650-F720 PolarHBondContact O-N 3.28Å; V650-T722 HydrophobicContact CB-CG2 4.27Å; V650-T722 HydrophobicContact CG2-CG2 3.59Å
651	S	88.3	Confident	84.4	Confident	25 Å²	25	29.5 Å²	29.5	18%	0.175	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.4	177.4	56.8	0	0	0	0	110.8	L632 V718	L632-S651 WeakPolarHBondContact CB-OG 3.18Å; L632-S651 PolarHBondContact N-O 2.83Å; L632-S651 PolarHBondContact O-N 3.26Å; L632-S651 PolarHBondContact O-OG 2.89Å; L632-S651 VanDerWaalsContact O-OG 3.04Å; S651-V718 WeakPolarHBondContact CA-O 3.44Å
652	L	90.3	Very high	84.8	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	96.8	-174.6	-167.4	65.4	0	0	0	108.7	L631 V654 F670 A717 V718 F720 F734 V736 L754	L631-L652 HydrophobicContact CB-CD1 4.05Å; L631-L652 HydrophobicContact CG-CD1 4.46Å; L652-V654 HydrophobicContact CG-CG2 4.31Å; L652-V654 PolarHBondContact O-N 3.16Å; L652-F670 HydrophobicContact CD2-CD1 3.75Å; L652-F670 HydrophobicContact CD2-CE1 3.83Å; L652-A717 WeakPolarHBondContact O-CA 3.34Å; L652-V718 HydrophobicContact CB-CB 4.49Å; L652-V718 PolarHBondContact N-O 3.26Å; L652-V718 PolarHBondContact O-N 2.82Å; L652-F720 HydrophobicContact CB-CD2 4.48Å; L652-F720 HydrophobicContact CB-CE2 4.1Å; L652-F720 HydrophobicContact CD2-CE2 4.02Å; L652-F734 HydrophobicContact CD2-CB 4.28Å; L652-F734 HydrophobicContact CD2-CD1 4.2Å; L652-F734 HydrophobicContact CD2-CG 4.4Å; L652-V736 HydrophobicContact CD2-CG2 4.1Å; L652-L754 HydrophobicContact CD1-CD1 3.53Å
653	N	90.3	Very high	85	Confident	67 Å²	67	29.8 Å²	29.8	36%	0.358	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	119.6	-179.9	-77.2	7.6	0	0	0	109.4	G629 K630 L632 A717	G629-N653 CarbonylContact C-O 3.55Å; G629-N653 WeakPolarHBondContact CA-O 3.32Å; K630-N653 PolarHBondContact N-O 2.95Å; K630-N653 PolarHBondContact O-N 2.96Å; L632-N653 VanDerWaalsContact CD1-ND2 3.31Å; L632-N653 WeakPolarHBondContact CD1-ND2 3.15Å; N653-A717 WeakPolarHBondContact OD1-CB 3.42Å
654	V	91.9	Very high	85.2	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.6	180	179.2	0	0	0	0	110.7	L627 L652 F670 F716	L627-V654 HydrophobicContact CD2-CG1 4.09Å; L652-V654 HydrophobicContact CG-CG2 4.31Å; L652-V654 PolarHBondContact O-N 3.16Å; V654-F670 HydrophobicContact CG2-CE1 3.78Å; V654-F670 HydrophobicContact CG2-CZ 4.07Å; V654-F716 HydrophobicContact CB-CE1 4.07Å; V654-F716 HydrophobicContact CB-CZ 4.16Å; V654-F716 HydrophobicContact CG1-CE1 3.97Å; V654-F716 HydrophobicContact CG1-CZ 4.16Å; V654-F716 PolarHBondContact N-O 2.83Å; V654-F716 PolarHBondContact O-N 3.4Å
655	T	91.6	Very high	85.4	Confident	36 Å²	36	34 Å²	34	22%	0.221	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129	171.7	-62.3	0	0	0	0	108.3	L627 H628 Y714 H715	L627-T655 WeakPolarHBondContact CA-O 3.14Å; H628-T655 PolarHBondContact N-O 3.06Å; H628-T655 PolarHBondContact O-N 2.86Å; T655-Y714 VanDerWaalsContact CA-O 3.32Å; T655-Y714 WeakPolarHBondContact CA-O 3.24Å; T655-H715 WeakPolarHBondContact CG2-CE1 3.31Å; T655-H715 WeakPolarHBondContact CG2-ND1 3.22Å; T655-H715 PolarHBondContact OG1-ND1 2.99Å
656	I	92.4	Very high	86.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	138.8	166.5	-171.8	166.6	0	0	0	109.2	L625 R626 L627 T666 I668 V703 M708 K713 Y714 A738	L625-I656 HydrophobicContact CD1-CD1 4.49Å; L625-I656 HydrophobicContact CD2-CD1 4.22Å; R626-I656 WeakPolarHBondContact O-CA 3.33Å; L627-I656 HydrophobicContact CD2-CB 3.85Å; L627-I656 HydrophobicContact CD2-CD1 4.09Å; L627-I656 HydrophobicContact CD2-CG1 4.01Å; I656-T666 HydrophobicContact CD1-CG2 3.85Å; I656-I668 HydrophobicContact CB-CD1 3.98Å; I656-I668 HydrophobicContact CD1-CD1 3.88Å; I656-I668 HydrophobicContact CD1-CG1 3.95Å; I656-I668 HydrophobicContact CG2-CD1 3.93Å; I656-V703 HydrophobicContact CG2-CG1 4.04Å; I656-V703 HydrophobicContact CG2-CG2 4.48Å; I656-M708 HydrophobicContact CG1-CE 4.44Å; I656-M708 HydrophobicContact CG1-SD 4.38Å; I656-M708 HydrophobicContact CG2-CE 4.3Å; I656-M708 HydrophobicContact CG2-SD 4.21Å; I656-K713 WeakPolarHBondContact O-CA 3.45Å; I656-Y714 PolarHBondContact N-O 2.59Å; I656-Y714 VanDerWaalsContact N-O 3.09Å; I656-Y714 PolarHBondContact O-N 2.98Å; I656-A738 HydrophobicContact CD1-CB 3.87Å
657	S	92.1	Very high	86.9	Confident	6 Å²	6	28.6 Å²	28.6	4%	0.042	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.1	172.2	57.3	0	0	0	0	110.8	L625 R626 T712	L625-S657 CarbonylContact C-O 3.52Å; L625-S657 WeakPolarHBondContact CA-O 3.04Å; R626-S657 PolarHBondContact N-O 2.86Å; R626-S657 PolarHBondContact O-N 3.38Å; R626-S657 VanDerWaalsContact O-N 3.15Å; S657-T712 VanDerWaalsContact CA-O 3.32Å; S657-T712 WeakPolarHBondContact CA-O 3.09Å
658	N	91.1	Very high	87.8	Confident	2 Å²	2	27.5 Å²	27.5	1%	0.011	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.4	171.9	179.7	15.6	0	0	0	108.4	D624 L625 G660 D661 A663 M708 Q711 T712	D624-N658 PolarHBondContact N-OD1 2.8Å; D624-N658 CarbonylContact O-C 3.52Å; D624-N658 WeakPolarHBondContact O-CA 3.3Å; L625-N658 HydrophobicContact CD2-CB 4.04Å; N658-G660 PolarHBondContact OD1-N 3Å; N658-G660 VanDerWaalsContact OD1-N 3.1Å; N658-D661 PolarHBondContact ND2-O 2.91Å; N658-A663 WeakPolarHBondContact ND2-CB 3.24Å; N658-A663 PolarHBondContact ND2-N 2.85Å; N658-M708 HydrophobicContact CB-CE 3.8Å; N658-M708 HydrophobicContact CB-CG 4.18Å; N658-M708 HydrophobicContact CB-SD 4.37Å; N658-M708 VanDerWaalsContact N-CE 3.32Å; N658-M708 PolarHBondContact ND2-O 3.03Å; N658-Q711 CarbonylContact O-C 3.13Å; N658-Q711 WeakPolarHBondContact O-CA 3.32Å; N658-Q711 PolarHBondContact O-N 2.97Å; N658-T712 PolarHBondContact N-O 2.9Å; N658-T712 PolarHBondContact O-N 2.78Å
659	S	88	Confident	88.5	Confident	31 Å²	31	21.7 Å²	21.7	22%	0.217	12%	0.121	C	C	.	.			trans	-112.3	-3.5	-175.9	-33.6	0	0	0	0	112.9	D624 Q711	D624-S659 PolarHBondContact O-N 3.43Å; D624-S659 PolarHBondContact O-OG 2.92Å; S659-Q711 PolarHBondContact O-NE2 3.5Å
660	G	86.7	Confident	88.9	Confident	21 Å²	21	19.2 Å²	19.2	22%	0.216	11%	0.108	C	C	.	.	S	Bend	trans	-108.2	-147.5	-179.6	0	0	0	0	0	111.7	N658 A710	N658-G660 PolarHBondContact OD1-N 3Å; N658-G660 VanDerWaalsContact OD1-N 3.1Å; G660-A710 WeakPolarHBondContact O-CA 3.38Å; G660-A710 WeakPolarHBondContact O-CB 3.19Å
661	D	87.3	Confident	89.1	Confident	8 Å²	8	23 Å²	23	4%	0.043	13%	0.128	C	C	.	.	S	Bend	trans	-71.6	168	172.9	-87.6	-35.9	0	0	0	112.8	C616 L617 S618 A622 N658 A663	C616-D661 WeakPolarHBondContact CB-OD2 3.3Å; L617-D661 WeakPolarHBondContact CB-OD1 3.43Å; L617-D661 VanDerWaalsContact N-CG 3.26Å; L617-D661 PolarHBondContact N-OD1 3.4Å; L617-D661 PolarHBondContact N-OD2 2.91Å; S618-D661 WeakPolarHBondContact CB-OD2 3.36Å; S618-D661 PolarHBondContact N-OD2 2.88Å; S618-D661 PolarHBondContact OG-OD2 2.81Å; A622-D661 PolarHBondContact O-N 3.2Å; N658-D661 PolarHBondContact ND2-O 2.91Å; D661-A663 PolarHBondContact O-N 2.69Å
662	D	86.1	Confident	89.2	Confident	35 Å²	35	22.2 Å²	22.2	19%	0.187	12%	0.122	C	C	.	.			trans	-52.3	120.8	179.8	-81.2	14.7	0	0	0	112	Y664 F707 R709 A710 N742	D662-Y664 HydrophobicContact CB-CE2 4.1Å; D662-Y664 WeakPolarHBondContact O-CD2 3.42Å; D662-Y664 VanDerWaalsContact O-CE2 3.29Å; D662-Y664 WeakPolarHBondContact O-CE2 3.35Å; D662-F707 HydrophobicContact CB-CD2 4.13Å; D662-F707 WeakPolarHBondContact OD2-CD2 3.38Å; D662-F707 WeakPolarHBondContact OD2-CE2 3.43Å; D662-R709 WeakPolarHBondContact OD1-CA 3.33Å; D662-A710 PolarHBondContact OD1-N 3.01Å; D662-N742 PolarHBondContact O-ND2 3.01Å; D662-N742 PolarHBondContact O-OD1 2.78Å
663	A	85.1	Confident	89.1	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	103.2	-172	0	0	0	0	0	111.4	A623 L625 N658 D661 T666 M708 N742	A623-A663 HydrophobicContact CB-CB 3.85Å; L625-A663 HydrophobicContact CD2-CB 3.93Å; N658-A663 WeakPolarHBondContact ND2-CB 3.24Å; N658-A663 PolarHBondContact ND2-N 2.85Å; D661-A663 PolarHBondContact O-N 2.69Å; A663-T666 WeakPolarHBondContact CB-OG1 3.17Å; A663-T666 PolarHBondContact O-OG1 3.22Å; A663-M708 HydrophobicContact CB-CB 4.47Å; A663-M708 PolarHBondContact N-O 2.91Å; A663-M708 PolarHBondContact O-N 3.13Å; A663-N742 WeakPolarHBondContact CA-OD1 3.28Å
664	Y	80.9	Confident	88.8	Confident	30 Å²	30	28.5 Å²	28.5	12%	0.118	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	150.4	-173.9	-59.9	-106.5	0	0	0	111.9	V564 F565 D662 T666 F707 A741 N742	V564-Y664 HydrophobicContact CG2-CD1 3.67Å; V564-Y664 HydrophobicContact CG2-CE1 4Å; V564-Y664 HydrophobicContact CG2-CG 4.47Å; F565-Y664 HydrophobicContact CE2-CD2 4.43Å; F565-Y664 AromaticContact CE2-CG 4Å; F565-Y664 HydrophobicContact CE2-CG 4Å; F565-Y664 AromaticContact CZ-CD2 3.87Å; F565-Y664 HydrophobicContact CZ-CD2 3.87Å; F565-Y664 AromaticContact CZ-CG 3.91Å; F565-Y664 HydrophobicContact CZ-CG 3.91Å; D662-Y664 HydrophobicContact CB-CE2 4.1Å; D662-Y664 WeakPolarHBondContact O-CD2 3.42Å; D662-Y664 VanDerWaalsContact O-CE2 3.29Å; D662-Y664 WeakPolarHBondContact O-CE2 3.35Å; Y664-T666 PolarHBondContact O-N 2.94Å; Y664-F707 HydrophobicContact CD1-CB 3.52Å; Y664-F707 HydrophobicContact CD1-CD1 4.09Å; Y664-F707 HydrophobicContact CD1-CG 4.09Å; Y664-F707 HydrophobicContact CD2-CB 4.39Å; Y664-F707 HydrophobicContact CE1-CB 3.91Å; Y664-F707 AromaticContact CE1-CD1 3.87Å; Y664-F707 HydrophobicContact CE1-CD1 3.87Å; Y664-F707 AromaticContact CE1-CG 3.99Å; Y664-F707 HydrophobicContact CE1-CG 3.99Å; Y664-F707 HydrophobicContact CG-CB 3.77Å; Y664-A741 PolarHBondContact O-N 2.85Å; Y664-N742 PolarHBondContact N-OD1 3.45Å
665	D	81.3	Confident	88.4	Confident	77 Å²	77	30.7 Å²	30.7	41%	0.412	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	42.2	-171.6	-163.7	26.1	0	0	0	113.1	N667 P706 A741	D665-N667 PolarHBondContact O-N 3.49Å; D665-N667 PolarHBondContact O-ND2 3.09Å; D665-N667 PolarHBondContact OD1-ND2 3.32Å; D665-N667 PolarHBondContact OD2-ND2 3.36Å; D665-P706 PolarHBondContact N-O 2.79Å; D665-A741 HydrophobicContact CB-CB 4.43Å
666	T	87.7	Confident	88.2	Confident	3 Å²	3	29 Å²	29	2%	0.018	15%	0.146	C	C	.	.			trans	-67.8	119	178	-66.5	0	0	0	0	110.1	L625 I656 A663 Y664 V703 M708 K739	L625-T666 HydrophobicContact CD1-CG2 4.07Å; L625-T666 HydrophobicContact CD2-CG2 4.03Å; I656-T666 HydrophobicContact CD1-CG2 3.85Å; A663-T666 WeakPolarHBondContact CB-OG1 3.17Å; A663-T666 PolarHBondContact O-OG1 3.22Å; Y664-T666 PolarHBondContact O-N 2.94Å; T666-V703 HydrophobicContact CG2-CB 4.26Å; T666-V703 PolarHBondContact O-N 2.84Å; T666-M708 HydrophobicContact CG2-SD 4.17Å; T666-K739 WeakPolarHBondContact CA-O 3.34Å
667	N	90.6	Very high	87.9	Confident	3 Å²	3	32.3 Å²	32.3	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.3	-173.4	-71.2	-63.6	0	0	0	110.8	D665 Y669 K700 C701 S702 A738 K739	D665-N667 PolarHBondContact O-N 3.49Å; D665-N667 PolarHBondContact O-ND2 3.09Å; D665-N667 PolarHBondContact OD1-ND2 3.32Å; D665-N667 PolarHBondContact OD2-ND2 3.36Å; N667-Y669 HydrophobicContact CB-CE2 3.87Å; N667-K700 PolarHBondContact ND2-NZ 2.85Å; N667-K700 VanDerWaalsContact ND2-NZ 3.17Å; N667-K700 WeakPolarHBondContact OD1-CE 3.33Å; N667-K700 PolarHBondContact OD1-NZ 3.46Å; N667-C701 WeakPolarHBondContact CA-O 3.47Å; N667-S702 WeakPolarHBondContact OD1-CA 3.39Å; N667-S702 WeakPolarHBondContact OD1-CB 3.22Å; N667-S702 PolarHBondContact OD1-OG 2.88Å; N667-A738 WeakPolarHBondContact O-CA 3.38Å; N667-K739 PolarHBondContact N-O 2.97Å; N667-K739 PolarHBondContact O-N 2.85Å
668	I	92.9	Very high	87.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.6	173.1	-55.6	172	0	0	0	108.3	L627 I656 F670 C701 V703 F716 V736 Q737 A738	L627-I668 HydrophobicContact CD2-CD1 4.05Å; L627-I668 HydrophobicContact CD2-CG1 4.38Å; I656-I668 HydrophobicContact CB-CD1 3.98Å; I656-I668 HydrophobicContact CD1-CD1 3.88Å; I656-I668 HydrophobicContact CD1-CG1 3.95Å; I656-I668 HydrophobicContact CG2-CD1 3.93Å; I668-F670 HydrophobicContact CB-CE2 4.22Å; I668-F670 HydrophobicContact CG2-CD2 4.15Å; I668-F670 HydrophobicContact CG2-CE2 3.53Å; I668-F670 HydrophobicContact CG2-CZ 3.9Å; I668-C701 HydrophobicContact CB-CB 4.45Å; I668-C701 PolarHBondContact N-O 3.12Å; I668-C701 PolarHBondContact O-N 2.91Å; I668-V703 HydrophobicContact CD1-CG2 3.82Å; I668-V703 HydrophobicContact CG1-CG2 4.16Å; I668-F716 HydrophobicContact CD1-CE1 3.68Å; I668-F716 HydrophobicContact CD1-CZ 3.7Å; I668-V736 HydrophobicContact CG2-CG1 3.51Å; I668-Q737 CarbonylContact C-O 3.59Å; I668-Q737 WeakPolarHBondContact CA-O 3.32Å; I668-A738 HydrophobicContact CG1-CB 4.34Å
669	Y	92.9	Very high	87.6	Confident	57 Å²	57	37.7 Å²	37.7	22%	0.224	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.8	179.7	-58.6	-89.1	0	0	0	109	N667 F698 L699 K700 V736 Q737 K739	N667-Y669 HydrophobicContact CB-CE2 3.87Å; Y669-F698 AromaticContact CD1-CE1 3.77Å; Y669-F698 HydrophobicContact CD1-CE1 3.77Å; Y669-F698 HydrophobicContact CD1-CE2 4.23Å; Y669-F698 AromaticContact CD1-CZ 3.37Å; Y669-F698 HydrophobicContact CD1-CZ 3.37Å; Y669-F698 HydrophobicContact CE1-CE1 4.33Å; Y669-F698 HydrophobicContact CE1-CZ 4.22Å; Y669-F698 HydrophobicContact CG-CE2 4.48Å; Y669-F698 AromaticContact CG-CZ 3.94Å; Y669-F698 HydrophobicContact CG-CZ 3.94Å; Y669-L699 WeakPolarHBondContact CA-O 3.46Å; Y669-K700 HydrophobicContact CD1-CB 4.38Å; Y669-K700 HydrophobicContact CD1-CG 4.08Å; Y669-K700 HydrophobicContact CE1-CB 4.47Å; Y669-K700 HydrophobicContact CE1-CD 4.02Å; Y669-K700 HydrophobicContact CE1-CG 3.82Å; Y669-V736 CarbonylContact O-C 3.59Å; Y669-V736 VanDerWaalsContact O-CA 3.31Å; Y669-V736 WeakPolarHBondContact O-CA 3.32Å; Y669-Q737 PolarHBondContact N-O 3.04Å; Y669-Q737 PolarHBondContact O-N 2.91Å; Y669-K739 HydrophobicContact CE2-CB 4.34Å; Y669-K739 HydrophobicContact CE2-CD 4.3Å; Y669-K739 HydrophobicContact CE2-CG 4.38Å
670	F	93	Very high	87.6	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.009	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.7	174.8	-58.1	-110	0	0	0	108.5	L652 V654 I668 F672 F698 L699 C701 F716 V718 V736	L652-F670 HydrophobicContact CD2-CD1 3.75Å; L652-F670 HydrophobicContact CD2-CE1 3.83Å; V654-F670 HydrophobicContact CG2-CE1 3.78Å; V654-F670 HydrophobicContact CG2-CZ 4.07Å; I668-F670 HydrophobicContact CB-CE2 4.22Å; I668-F670 HydrophobicContact CG2-CD2 4.15Å; I668-F670 HydrophobicContact CG2-CE2 3.53Å; I668-F670 HydrophobicContact CG2-CZ 3.9Å; F670-F672 HydrophobicContact CB-CD1 4.32Å; F670-F698 WeakPolarHBondContact O-CA 3.45Å; F670-F698 WeakPolarHBondContact O-CD2 3.3Å; F670-L699 HydrophobicContact CB-CB 4.22Å; F670-L699 HydrophobicContact CD2-CD2 4.07Å; F670-L699 HydrophobicContact CG-CD2 4.43Å; F670-L699 PolarHBondContact N-O 2.67Å; F670-L699 PolarHBondContact O-N 3.09Å; F670-C701 HydrophobicContact CE2-CB 4.32Å; F670-F716 HydrophobicContact CE2-CE2 4.13Å; F670-F716 HydrophobicContact CE2-CZ 4.17Å; F670-F716 AromaticContact CZ-CE2 3.75Å; F670-F716 HydrophobicContact CZ-CE2 3.75Å; F670-F716 AromaticContact CZ-CZ 3.78Å; F670-F716 HydrophobicContact CZ-CZ 3.78Å; F670-V718 HydrophobicContact CD1-CG2 4.47Å; F670-V718 HydrophobicContact CE1-CB 4.44Å; F670-V718 HydrophobicContact CE1-CG2 3.79Å; F670-V718 HydrophobicContact CE2-CG2 4.13Å; F670-V718 HydrophobicContact CZ-CG2 3.6Å; F670-V736 HydrophobicContact CD1-CB 4.33Å; F670-V736 HydrophobicContact CD1-CG1 3.83Å; F670-V736 HydrophobicContact CD1-CG2 3.58Å; F670-V736 HydrophobicContact CD2-CG1 4.48Å; F670-V736 HydrophobicContact CE1-CG1 3.74Å; F670-V736 HydrophobicContact CE1-CG2 3.89Å; F670-V736 HydrophobicContact CE2-CG1 4.38Å; F670-V736 HydrophobicContact CG-CG1 4.2Å; F670-V736 HydrophobicContact CG-CG2 4.39Å; F670-V736 HydrophobicContact CZ-CG1 4.01Å
671	N	91.6	Very high	87.7	Confident	79 Å²	79	41.4 Å²	41.4	42%	0.422	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.6	174.5	-177.5	-8.5	0	0	0	108.4	D697 F698 L735	N671-D697 WeakPolarHBondContact CA-O 3.44Å; N671-F698 HydrophobicContact CB-CD2 4.29Å; N671-L735 HydrophobicContact CB-CB 4.44Å; N671-L735 PolarHBondContact N-O 3.16Å; N671-L735 PolarHBondContact O-N 2.87Å
672	F	90.4	Very high	87.6	Confident	8 Å²	8	48.5 Å²	48.5	4%	0.035	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	164.2	-170.6	52.2	-88.5	0	0	0	111.4	F670 V676 L693 L696 D697 L699 F720 F734	F670-F672 HydrophobicContact CB-CD1 4.32Å; F672-V676 HydrophobicContact CD2-CB 4.37Å; F672-V676 WeakPolarHBondContact CE2-O 3.27Å; F672-L693 HydrophobicContact CZ-CD2 4.19Å; F672-L696 WeakPolarHBondContact CE2-O 3.37Å; F672-D697 WeakPolarHBondContact CD1-O 3.4Å; F672-D697 WeakPolarHBondContact CE1-O 3.39Å; F672-D697 PolarHBondContact N-O 3.15Å; F672-D697 VanDerWaalsContact O-CB 3.3Å; F672-D697 WeakPolarHBondContact O-CB 3.37Å; F672-L699 HydrophobicContact CE1-CB 4Å; F672-F720 AromaticContact CD1-CE1 3.78Å; F672-F720 HydrophobicContact CD1-CE1 3.78Å; F672-F720 HydrophobicContact CD1-CZ 4.09Å; F672-F720 HydrophobicContact CD2-CD1 4.49Å; F672-F720 HydrophobicContact CD2-CE1 4.12Å; F672-F720 AromaticContact CE1-CE1 3.78Å; F672-F720 HydrophobicContact CE1-CE1 3.78Å; F672-F720 HydrophobicContact CE1-CZ 4.32Å; F672-F720 HydrophobicContact CE2-CE1 4.11Å; F672-F720 AromaticContact CG-CE1 3.97Å; F672-F720 HydrophobicContact CG-CE1 3.97Å; F672-F720 HydrophobicContact CG-CZ 4.48Å; F672-F720 AromaticContact CZ-CE1 3.96Å; F672-F720 HydrophobicContact CZ-CE1 3.96Å; F672-F734 HydrophobicContact CB-CD1 3.65Å; F672-F734 HydrophobicContact CB-CE1 3.83Å
673	S	87.3	Confident	87.5	Confident	42 Å²	42	48.8 Å²	48.8	29%	0.294	23%	0.226	S	C	.	.			trans	-63.9	141.7	-179.9	-176.7	0	0	0	0	112.6	E675 V676	S673-E675 PolarHBondContact O-N 2.9Å; S673-E675 VanDerWaalsContact O-N 3.09Å; S673-E675 PolarHBondContact OG-N 2.81Å; S673-V676 WeakPolarHBondContact O-CB 3.19Å; S673-V676 PolarHBondContact O-N 2.77Å
674	R	84.6	Confident	86.8	Confident	157 Å²	157	55.6 Å²	55.6	59%	0.592	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-14.7	174.9	-67.3	179.8	-179.9	-137.9	-20.5	114.3	V676 D697	R674-V676 PolarHBondContact O-N 3.47Å; R674-D697 HydrophobicContact CG-CB 3.91Å; R674-D697 IonicContact CZ-OD2 2.69Å; R674-D697 IonicContact NE-OD2 3.61Å; R674-D697 PolarHBondContact NE-OD2 3.31Å; R674-D697 IonicContact NH2-OD1 3.76Å; R674-D697 IonicContact NH2-OD2 3.08Å; R674-D697 PolarHBondContact NH2-OD2 2.66Å
675	E	83.3	Confident	86.5	Confident	47 Å²	47	58.6 Å²	58.6	22%	0.22	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-2.1	172.6	-55.1	-174.3	172.2	0	0	113.7	S673 Q724 V725 S726	S673-E675 PolarHBondContact O-N 2.9Å; S673-E675 VanDerWaalsContact O-N 3.09Å; S673-E675 PolarHBondContact OG-N 2.81Å; E675-Q724 CarbonylContact O-C 3.57Å; E675-V725 HydrophobicContact CB-CG2 4.33Å; E675-V725 WeakPolarHBondContact OE2-CA 3.34Å; E675-S726 VanDerWaalsContact CD-OG 3.24Å; E675-S726 VanDerWaalsContact OE1-CB 3.25Å; E675-S726 WeakPolarHBondContact OE1-CB 3.44Å; E675-S726 PolarHBondContact OE1-OG 3.13Å; E675-S726 PolarHBondContact OE2-N 2.85Å; E675-S726 PolarHBondContact OE2-OG 2.77Å
676	V	87.4	Confident	85.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-123.8	127.8	-173.5	178.1	0	0	0	0	109.1	F672 S673 R674 F720 D721 T722 V725 L732 F734	F672-V676 HydrophobicContact CD2-CB 4.37Å; F672-V676 WeakPolarHBondContact CE2-O 3.27Å; S673-V676 WeakPolarHBondContact O-CB 3.19Å; S673-V676 PolarHBondContact O-N 2.77Å; R674-V676 PolarHBondContact O-N 3.47Å; V676-F720 HydrophobicContact CG1-CB 3.57Å; V676-F720 HydrophobicContact CG1-CD1 3.83Å; V676-F720 HydrophobicContact CG1-CG 3.96Å; V676-D721 WeakPolarHBondContact CA-O 3.18Å; V676-D721 WeakPolarHBondContact CG1-O 3.25Å; V676-T722 HydrophobicContact CG2-CG2 4.37Å; V676-V725 HydrophobicContact CG2-CG2 3.9Å; V676-L732 HydrophobicContact CG2-CD1 3.73Å; V676-L732 HydrophobicContact CG2-CD2 3.84Å; V676-L732 HydrophobicContact CG2-CG 4.44Å; V676-F734 HydrophobicContact CG1-CE1 4.31Å; V676-F734 HydrophobicContact CG1-CZ 4.25Å
677	L	85.9	Confident	84.9	Confident	71 Å²	71	67.7 Å²	67.7	37%	0.372	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134	-176.6	-58.2	176.3	0	0	0	111.3	I679 F720 D721	L677-I679 PolarHBondContact O-N 2.99Å; L677-F720 CarbonylContact O-C 3.54Å; L677-F720 VanDerWaalsContact O-CA 3.28Å; L677-F720 WeakPolarHBondContact O-CA 3.3Å; L677-D721 HydrophobicContact CB-CB 4.17Å; L677-D721 PolarHBondContact N-O 3.05Å; L677-D721 VanDerWaalsContact N-O 3.13Å; L677-D721 PolarHBondContact O-N 3.02Å
678	Y	90	Very high	84.2	Confident	44 Å²	44	69.7 Å²	69.7	17%	0.173	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126.9	170.2	166.3	-101	0	0	0	110.7	N680 F681 L693 L699 V718	Y678-N680 VanDerWaalsContact CE2-C 3.47Å; Y678-F681 PolarHBondContact OH-N 3.14Å; Y678-L693 HydrophobicContact CD1-CD1 3.96Å; Y678-L693 HydrophobicContact CD1-CD2 4.38Å; Y678-L693 HydrophobicContact CD1-CG 3.94Å; Y678-L693 HydrophobicContact CG-CD2 4.34Å; Y678-L693 HydrophobicContact CG-CG 4.4Å; Y678-L699 HydrophobicContact CD1-CD1 4.09Å; Y678-L699 HydrophobicContact CD2-CD1 3.83Å; Y678-L699 HydrophobicContact CD2-CD2 3.7Å; Y678-L699 HydrophobicContact CD2-CG 4.39Å; Y678-L699 HydrophobicContact CE1-CD1 4.05Å; Y678-L699 HydrophobicContact CE2-CD1 3.78Å; Y678-L699 HydrophobicContact CE2-CD2 3.7Å; Y678-L699 HydrophobicContact CE2-CG 4.43Å; Y678-L699 HydrophobicContact CG-CD1 3.97Å; Y678-V718 HydrophobicContact CD2-CG1 3.77Å; Y678-V718 HydrophobicContact CE2-CG1 3.88Å
679	I	87.3	Confident	83.8	Confident	76 Å²	76	70.2 Å²	70.2	39%	0.39	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-62.5	176.9	-57.5	178.6	0	0	0	110.1	N649 L677 I719 D721	N649-I679 VanDerWaalsContact ND2-CD1 3.3Å; N649-I679 WeakPolarHBondContact ND2-CD1 3.38Å; L677-I679 PolarHBondContact O-N 2.99Å; I679-I719 HydrophobicContact CD1-CG2 4.22Å; I679-I719 PolarHBondContact N-O 2.94Å; I679-D721 HydrophobicContact CD1-CB 3.86Å; I679-D721 HydrophobicContact CG1-CB 3.97Å
680	N	86.8	Confident	83.5	Confident	88 Å²	88	71.4 Å²	71.4	47%	0.471	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	174.1	-179	-158.4	1.1	0	0	0	110.4	Y678 I719	Y678-N680 VanDerWaalsContact CE2-C 3.47Å; N680-I719 PolarHBondContact O-N 3.47Å
681	F	90	Very high	83.4	Confident	43 Å²	43	72.2 Å²	72.2	19%	0.189	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	159.1	165.4	78.2	-72.1	0	0	0	111.8	Y678 I689 C691 A717	Y678-F681 PolarHBondContact OH-N 3.14Å; F681-I689 HydrophobicContact CD2-CG2 4.33Å; F681-I689 HydrophobicContact CE2-CB 4.12Å; F681-I689 HydrophobicContact CE2-CG2 3.96Å; F681-I689 WeakPolarHBondContact CZ-O 3.09Å; F681-C691 HydrophobicContact CB-CB 4.49Å; F681-C691 HydrophobicContact CD1-CB 3.71Å; F681-C691 HydrophobicContact CE1-CB 4.04Å; F681-C691 HydrophobicContact CG-CB 4.07Å; F681-A717 CarbonylContact C-O 3.53Å; F681-A717 VanDerWaalsContact CA-O 3.23Å; F681-A717 WeakPolarHBondContact CA-O 3.5Å
682	W	84.9	Confident	83.1	Confident	157 Å²	157	70 Å²	70	60%	0.595	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.7	173.7	-178.6	85.6	0	0	0	109.8	K684 F716 A717	W682-K684 HydrophobicContact CH2-CB 3.9Å; W682-K684 HydrophobicContact CH2-CG 4.06Å; W682-K684 HydrophobicContact CZ3-CB 3.91Å; W682-K684 HydrophobicContact CZ3-CG 4.45Å; W682-F716 CarbonylContact O-C 3.37Å; W682-F716 VanDerWaalsContact O-CA 3.24Å; W682-F716 WeakPolarHBondContact O-CA 3.44Å; W682-F716 WeakPolarHBondContact O-CB 3.36Å; W682-A717 PolarHBondContact N-O 3.45Å; W682-A717 PolarHBondContact O-N 2.74Å
683	Q	84.4	Confident	82.9	Confident	41 Å²	41	73.9 Å²	73.9	19%	0.192	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	140	177.6	62.8	-173.1	-13.5	0	0	110.2	E685 I689 F716	Q683-E685 VanDerWaalsContact C-N 3.3Å; Q683-E685 PolarHBondContact O-N 2.71Å; Q683-I689 HydrophobicContact CB-CD1 4.49Å; Q683-F716 HydrophobicContact CB-CB 4.31Å
684	K	70.3	Confident	82.9	Confident	143 Å²	143	76.5 Å²	76.5	62%	0.622	39%	0.386	S	S	*	.	S	Bend	trans	-72.3	-27.4	-179.2	-171.2	-178	176.3	-167.2	0	112.7	W682 H715	W682-K684 HydrophobicContact CH2-CB 3.9Å; W682-K684 HydrophobicContact CH2-CG 4.06Å; W682-K684 HydrophobicContact CZ3-CB 3.91Å; W682-K684 HydrophobicContact CZ3-CG 4.45Å; K684-H715 PolarHBondContact N-O 3.35Å
685	E	74.4	Confident	82.8	Confident	92 Å²	92	73 Å²	73	43%	0.43	38%	0.379	S	S	.	.	S	Bend	trans	-141.5	139.2	-178.2	-68.6	161.8	-158.2	0	0	107.4	Q683 K687	Q683-E685 VanDerWaalsContact C-N 3.3Å; Q683-E685 PolarHBondContact O-N 2.71Å; E685-K687 HydrophobicContact CB-CD 4.24Å; E685-K687 HydrophobicContact CB-CG 4.14Å; E685-K687 PolarHBondContact O-N 3.19Å; E685-K687 WeakPolarHBondContact OE2-CE 3.34Å; E685-K687 IonicContact OE2-NZ 2.79Å; E685-K687 PolarHBondContact OE2-NZ 3.36Å
686	E	67.7	Low	82.7	Confident	183 Å²	183	76.4 Å²	76.4	86%	0.855	40%	0.398	S	S	*	.			trans	-76.5	69.7	-179.5	-63	-162.8	134.1	0	0	112.2	G688	E686-G688 VanDerWaalsContact C-N 3.34Å; E686-G688 PolarHBondContact O-N 2.74Å
687	K	67.1	Low	82.5	Confident	89 Å²	89	77.9 Å²	77.9	39%	0.387	41%	0.406	S	S	.	.	S	Bend	trans	-89.7	11.1	-176.3	-77.9	175.7	157.1	160.9	0	114.7	E685 K713 Y714	E685-K687 HydrophobicContact CB-CD 4.24Å; E685-K687 HydrophobicContact CB-CG 4.14Å; E685-K687 PolarHBondContact O-N 3.19Å; E685-K687 WeakPolarHBondContact OE2-CE 3.34Å; E685-K687 IonicContact OE2-NZ 2.79Å; E685-K687 PolarHBondContact OE2-NZ 3.36Å; K687-K713 PolarHBondContact NZ-O 3.02Å; K687-Y714 HydrophobicContact CB-CD1 3.72Å; K687-Y714 HydrophobicContact CB-CE1 3.51Å; K687-Y714 HydrophobicContact CD-CD1 4.34Å; K687-Y714 HydrophobicContact CD-CE1 4.48Å; K687-Y714 WeakPolarHBondContact O-CE1 3.42Å
688	G	75.4	Confident	82.7	Confident	45 Å²	45	77.5 Å²	77.5	46%	0.464	40%	0.401	S	S	.	.			trans	78	50.9	-179	0	0	0	0	0	113.3	E686 G704	E686-G688 VanDerWaalsContact C-N 3.34Å; E686-G688 PolarHBondContact O-N 2.74Å; G688-G704 PolarHBondContact O-N 3.03Å
689	I	85.9	Confident	82.8	Confident	11 Å²	11	75.4 Å²	75.4	6%	0.056	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	138.1	163.9	-55.7	173.7	0	0	0	108.1	F681 Q683 S702 V703 Y714 F716	F681-I689 HydrophobicContact CD2-CG2 4.33Å; F681-I689 HydrophobicContact CE2-CB 4.12Å; F681-I689 HydrophobicContact CE2-CG2 3.96Å; F681-I689 WeakPolarHBondContact CZ-O 3.09Å; Q683-I689 HydrophobicContact CB-CD1 4.49Å; I689-S702 WeakPolarHBondContact CA-O 3.33Å; I689-V703 HydrophobicContact CG1-CG1 4.46Å; I689-Y714 HydrophobicContact CD1-CD1 4.1Å; I689-Y714 HydrophobicContact CG1-CD1 3.91Å; I689-F716 HydrophobicContact CD1-CB 3.84Å; I689-F716 HydrophobicContact CD1-CD1 3.75Å; I689-F716 HydrophobicContact CD1-CG 3.9Å
690	S	86.4	Confident	83.1	Confident	82 Å²	82	74.5 Å²	74.5	57%	0.573	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.9	121.4	173.7	-174.9	0	0	0	0	110.4	C701 S702	S690-C701 CarbonylContact O-C 3.22Å; S690-C701 VanDerWaalsContact O-CA 3.32Å; S690-C701 WeakPolarHBondContact O-CA 3.34Å; S690-S702 PolarHBondContact N-O 2.79Å; S690-S702 PolarHBondContact O-N 2.83Å
691	C	89.6	Confident	83.3	Confident	18 Å²	18	70.3 Å²	70.3	12%	0.122	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.7	-179.1	-62.6	0	0	0	0	111.6	F681 L699 K700 C701	F681-C691 HydrophobicContact CB-CB 4.49Å; F681-C691 HydrophobicContact CD1-CB 3.71Å; F681-C691 HydrophobicContact CE1-CB 4.04Å; F681-C691 HydrophobicContact CG-CB 4.07Å; C691-L699 HydrophobicContact CB-CD1 4.41Å; C691-K700 CarbonylContact C-O 3.57Å; C691-K700 WeakPolarHBondContact CA-O 3.49Å; C691-C701 HydrophobicContact CB-CB 4.12Å; C691-C701 WeakPolarHBondContact CB-SG 2.9Å; C691-C701 WeakPolarHBondContact SG-CB 3.47Å; C691-C701 CovalentContact SG-SG 2.04Å; C691-C701 PolarHBondContact SG-SG 3.17Å
692	G	86.4	Confident	83.2	Confident	34 Å²	34	69.8 Å²	69.8	35%	0.351	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	145.5	174.5	0	0	0	0	0	111.8	K700	G692-K700 PolarHBondContact N-O 3.16Å; G692-K700 PolarHBondContact O-N 3.48Å
693	L	86.7	Confident	83.3	Confident	89 Å²	89	62.5 Å²	62.5	47%	0.466	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	139	173.4	-72.5	166.8	0	0	0	109.9	F672 Y678 L699	F672-L693 HydrophobicContact CZ-CD2 4.19Å; Y678-L693 HydrophobicContact CD1-CD1 3.96Å; Y678-L693 HydrophobicContact CD1-CD2 4.38Å; Y678-L693 HydrophobicContact CD1-CG 3.94Å; Y678-L693 HydrophobicContact CG-CD2 4.34Å; Y678-L693 HydrophobicContact CG-CG 4.4Å; L693-L699 HydrophobicContact CD2-CB 4.19Å; L693-L699 HydrophobicContact CD2-CD1 3.95Å; L693-L699 HydrophobicContact CG-CD1 4.09Å
694	V	86.1	Confident	82.9	Confident	96 Å²	96	60.9 Å²	60.9	58%	0.582	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	-36.8	174.7	176.8	0	0	0	0	110	F698 K700	V694-F698 HydrophobicContact CB-CD1 3.99Å; V694-F698 HydrophobicContact CG1-CD1 4.15Å; V694-F698 PolarHBondContact N-O 2.76Å; V694-K700 HydrophobicContact CG2-CB 3.66Å
695	D	82.8	Confident	82.7	Confident	84 Å²	84	59.4 Å²	59.4	45%	0.449	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	175.1	165	-154.7	-22.8	0	0	0	108.4	D697 F698	D695-D697 VanDerWaalsContact C-N 3.25Å; D695-D697 PolarHBondContact O-N 3Å; D695-F698 HydrophobicContact CB-CB 4.11Å; D695-F698 PolarHBondContact N-O 2.69Å; D695-F698 PolarHBondContact O-N 2.82Å; D695-F698 VanDerWaalsContact O-N 3.16Å
696	L	80.3	Confident	82.2	Confident	119 Å²	119	58 Å²	58	62%	0.623	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-32.1	-176.4	-66	172.3	0	0	0	113.6	F672	F672-L696 WeakPolarHBondContact CE2-O 3.37Å
697	D	85.1	Confident	82.6	Confident	30 Å²	30	52.6 Å²	52.6	16%	0.16	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	4.6	179.3	45.2	14.5	0	0	0	113.4	N671 F672 R674 D695	N671-D697 WeakPolarHBondContact CA-O 3.44Å; F672-D697 WeakPolarHBondContact CD1-O 3.4Å; F672-D697 WeakPolarHBondContact CE1-O 3.39Å; F672-D697 PolarHBondContact N-O 3.15Å; F672-D697 VanDerWaalsContact O-CB 3.3Å; F672-D697 WeakPolarHBondContact O-CB 3.37Å; R674-D697 HydrophobicContact CG-CB 3.91Å; R674-D697 IonicContact CZ-OD2 2.69Å; R674-D697 IonicContact NE-OD2 3.61Å; R674-D697 PolarHBondContact NE-OD2 3.31Å; R674-D697 IonicContact NH2-OD1 3.76Å; R674-D697 IonicContact NH2-OD2 3.08Å; R674-D697 PolarHBondContact NH2-OD2 2.66Å; D695-D697 VanDerWaalsContact C-N 3.25Å; D695-D697 PolarHBondContact O-N 3Å
698	F	89.3	Confident	83.5	Confident	64 Å²	64	48.3 Å²	48.3	28%	0.281	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	106.2	-169.7	-161.9	-123.3	0	0	0	113.4	Y669 F670 N671 V694 D695	Y669-F698 AromaticContact CD1-CE1 3.77Å; Y669-F698 HydrophobicContact CD1-CE1 3.77Å; Y669-F698 HydrophobicContact CD1-CE2 4.23Å; Y669-F698 AromaticContact CD1-CZ 3.37Å; Y669-F698 HydrophobicContact CD1-CZ 3.37Å; Y669-F698 HydrophobicContact CE1-CE1 4.33Å; Y669-F698 HydrophobicContact CE1-CZ 4.22Å; Y669-F698 HydrophobicContact CG-CE2 4.48Å; Y669-F698 AromaticContact CG-CZ 3.94Å; Y669-F698 HydrophobicContact CG-CZ 3.94Å; F670-F698 WeakPolarHBondContact O-CA 3.45Å; F670-F698 WeakPolarHBondContact O-CD2 3.3Å; N671-F698 HydrophobicContact CB-CD2 4.29Å; V694-F698 HydrophobicContact CB-CD1 3.99Å; V694-F698 HydrophobicContact CG1-CD1 4.15Å; V694-F698 PolarHBondContact N-O 2.76Å; D695-F698 HydrophobicContact CB-CB 4.11Å; D695-F698 PolarHBondContact N-O 2.69Å; D695-F698 PolarHBondContact O-N 2.82Å; D695-F698 VanDerWaalsContact O-N 3.16Å
699	L	92.3	Very high	83.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.4	178.3	-178.4	79.5	0	0	0	110.6	Y669 F670 F672 Y678 C691 L693 V718	Y669-L699 WeakPolarHBondContact CA-O 3.46Å; F670-L699 HydrophobicContact CB-CB 4.22Å; F670-L699 HydrophobicContact CD2-CD2 4.07Å; F670-L699 HydrophobicContact CG-CD2 4.43Å; F670-L699 PolarHBondContact N-O 2.67Å; F670-L699 PolarHBondContact O-N 3.09Å; F672-L699 HydrophobicContact CE1-CB 4Å; Y678-L699 HydrophobicContact CD1-CD1 4.09Å; Y678-L699 HydrophobicContact CD2-CD1 3.83Å; Y678-L699 HydrophobicContact CD2-CD2 3.7Å; Y678-L699 HydrophobicContact CD2-CG 4.39Å; Y678-L699 HydrophobicContact CE1-CD1 4.05Å; Y678-L699 HydrophobicContact CE2-CD1 3.78Å; Y678-L699 HydrophobicContact CE2-CD2 3.7Å; Y678-L699 HydrophobicContact CE2-CG 4.43Å; Y678-L699 HydrophobicContact CG-CD1 3.97Å; C691-L699 HydrophobicContact CB-CD1 4.41Å; L693-L699 HydrophobicContact CD2-CB 4.19Å; L693-L699 HydrophobicContact CD2-CD1 3.95Å; L693-L699 HydrophobicContact CG-CD1 4.09Å; L699-V718 HydrophobicContact CD2-CG1 3.64Å; L699-V718 HydrophobicContact CD2-CG2 4.29Å
700	K	92.4	Very high	83.8	Confident	57 Å²	57	54.8 Å²	54.8	25%	0.248	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.1	171.9	-171	-170.1	-174	-154.6	0	110.5	N667 Y669 C691 G692 V694	N667-K700 PolarHBondContact ND2-NZ 2.85Å; N667-K700 VanDerWaalsContact ND2-NZ 3.17Å; N667-K700 WeakPolarHBondContact OD1-CE 3.33Å; N667-K700 PolarHBondContact OD1-NZ 3.46Å; Y669-K700 HydrophobicContact CD1-CB 4.38Å; Y669-K700 HydrophobicContact CD1-CG 4.08Å; Y669-K700 HydrophobicContact CE1-CB 4.47Å; Y669-K700 HydrophobicContact CE1-CD 4.02Å; Y669-K700 HydrophobicContact CE1-CG 3.82Å; C691-K700 CarbonylContact C-O 3.57Å; C691-K700 WeakPolarHBondContact CA-O 3.49Å; G692-K700 PolarHBondContact N-O 3.16Å; G692-K700 PolarHBondContact O-N 3.48Å; V694-K700 HydrophobicContact CG2-CB 3.66Å
701	C	91.1	Very high	83.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.9	171.3	-63.3	0	0	0	0	110.8	N667 I668 F670 S690 C691 F716	N667-C701 WeakPolarHBondContact CA-O 3.47Å; I668-C701 HydrophobicContact CB-CB 4.45Å; I668-C701 PolarHBondContact N-O 3.12Å; I668-C701 PolarHBondContact O-N 2.91Å; F670-C701 HydrophobicContact CE2-CB 4.32Å; S690-C701 CarbonylContact O-C 3.22Å; S690-C701 VanDerWaalsContact O-CA 3.32Å; S690-C701 WeakPolarHBondContact O-CA 3.34Å; C691-C701 HydrophobicContact CB-CB 4.12Å; C691-C701 WeakPolarHBondContact CB-SG 2.9Å; C691-C701 WeakPolarHBondContact SG-CB 3.47Å; C691-C701 CovalentContact SG-SG 2.04Å; C691-C701 PolarHBondContact SG-SG 3.17Å; C701-F716 HydrophobicContact CB-CE2 4.45Å
702	S	89	Confident	83.7	Confident	32 Å²	32	58.5 Å²	58.5	22%	0.224	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	138.5	170.4	-62.6	0	0	0	0	110.3	N667 I689 S690	N667-S702 WeakPolarHBondContact OD1-CA 3.39Å; N667-S702 WeakPolarHBondContact OD1-CB 3.22Å; N667-S702 PolarHBondContact OD1-OG 2.88Å; I689-S702 WeakPolarHBondContact CA-O 3.33Å; S690-S702 PolarHBondContact N-O 2.79Å; S690-S702 PolarHBondContact O-N 2.83Å
703	V	87.4	Confident	83.9	Confident	3 Å²	3	62.6 Å²	62.6	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124	-171.6	-179.3	0	0	0	0	111	I656 T666 I668 I689 F705 M708 Y714	I656-V703 HydrophobicContact CG2-CG1 4.04Å; I656-V703 HydrophobicContact CG2-CG2 4.48Å; T666-V703 HydrophobicContact CG2-CB 4.26Å; T666-V703 PolarHBondContact O-N 2.84Å; I668-V703 HydrophobicContact CD1-CG2 3.82Å; I668-V703 HydrophobicContact CG1-CG2 4.16Å; I689-V703 HydrophobicContact CG1-CG1 4.46Å; V703-F705 PolarHBondContact O-N 2.82Å; V703-M708 HydrophobicContact CG1-SD 3.93Å; V703-Y714 HydrophobicContact CG1-CD1 3.48Å; V703-Y714 VanDerWaalsContact CG1-CD1 3.48Å; V703-Y714 HydrophobicContact CG1-CD2 4.17Å; V703-Y714 HydrophobicContact CG1-CE1 3.72Å; V703-Y714 HydrophobicContact CG1-CE2 4.43Å; V703-Y714 HydrophobicContact CG1-CG 3.73Å
704	G	75.5	Confident	84	Confident	8 Å²	8	59.5 Å²	59.5	8%	0.082	30%	0.297	C	S	.	.	S	Bend	trans	68.9	29.3	170.7	0	0	0	0	0	114.3	G688 F707	G688-G704 PolarHBondContact O-N 3.03Å; G704-F707 CarbonylContact O-C 3.24Å; G704-F707 WeakPolarHBondContact O-CA 3.47Å; G704-F707 PolarHBondContact O-N 2.76Å
705	F	66.6	Low	84.2	Confident	112 Å²	112	58.9 Å²	58.9	49%	0.491	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	130.6	-175	-177.9	-89.7	0	0	0	112.3	K562 V703	K562-F705 HydrophobicContact CB-CE2 4.39Å; K562-F705 HydrophobicContact CB-CZ 4.19Å; K562-F705 HydrophobicContact CD-CE2 4.44Å; K562-F705 HydrophobicContact CD-CZ 4.12Å; K562-F705 HydrophobicContact CG-CE2 4.46Å; K562-F705 HydrophobicContact CG-CZ 3.91Å; V703-F705 PolarHBondContact O-N 2.82Å
706	P	63.3	Low	84.6	Confident	62 Å²	62	55.1 Å²	55.1	40%	0.403	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.4	-12.1	7.1	30.4	-30.6	0	0	0	116.6	D665	D665-P706 PolarHBondContact N-O 2.79Å
707	F	76.4	Confident	85.1	Confident	69 Å²	69	49.9 Å²	49.9	30%	0.303	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	135.4	178.2	57.7	-89	0	0	0	114.5	D662 Y664 G704 R709	D662-F707 HydrophobicContact CB-CD2 4.13Å; D662-F707 WeakPolarHBondContact OD2-CD2 3.38Å; D662-F707 WeakPolarHBondContact OD2-CE2 3.43Å; Y664-F707 HydrophobicContact CD1-CB 3.52Å; Y664-F707 HydrophobicContact CD1-CD1 4.09Å; Y664-F707 HydrophobicContact CD1-CG 4.09Å; Y664-F707 HydrophobicContact CD2-CB 4.39Å; Y664-F707 HydrophobicContact CE1-CB 3.91Å; Y664-F707 AromaticContact CE1-CD1 3.87Å; Y664-F707 HydrophobicContact CE1-CD1 3.87Å; Y664-F707 AromaticContact CE1-CG 3.99Å; Y664-F707 HydrophobicContact CE1-CG 3.99Å; Y664-F707 HydrophobicContact CG-CB 3.77Å; G704-F707 CarbonylContact O-C 3.24Å; G704-F707 WeakPolarHBondContact O-CA 3.47Å; G704-F707 PolarHBondContact O-N 2.76Å; F707-R709 HydrophobicContact CD2-CG 3.95Å; F707-R709 HydrophobicContact CE2-CG 3.81Å; F707-R709 PolarHBondContact O-N 2.93Å
708	M	84.6	Confident	85.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	103.4	174.6	177.7	167.8	173.3	0	0	110	I656 N658 A663 T666 V703 T712 Y714	I656-M708 HydrophobicContact CG1-CE 4.44Å; I656-M708 HydrophobicContact CG1-SD 4.38Å; I656-M708 HydrophobicContact CG2-CE 4.3Å; I656-M708 HydrophobicContact CG2-SD 4.21Å; N658-M708 HydrophobicContact CB-CE 3.8Å; N658-M708 HydrophobicContact CB-CG 4.18Å; N658-M708 HydrophobicContact CB-SD 4.37Å; N658-M708 VanDerWaalsContact N-CE 3.32Å; N658-M708 PolarHBondContact ND2-O 3.03Å; A663-M708 HydrophobicContact CB-CB 4.47Å; A663-M708 PolarHBondContact N-O 2.91Å; A663-M708 PolarHBondContact O-N 3.13Å; T666-M708 HydrophobicContact CG2-SD 4.17Å; V703-M708 HydrophobicContact CG1-SD 3.93Å; M708-T712 VanDerWaalsContact CE-O 3.3Å; M708-T712 WeakPolarHBondContact CE-O 3.37Å; M708-T712 WeakPolarHBondContact CG-OG1 3.44Å; M708-Y714 HydrophobicContact CE-CD2 3.54Å; M708-Y714 HydrophobicContact CE-CE2 3.86Å; M708-Y714 HydrophobicContact CG-CD2 4.34Å; M708-Y714 HydrophobicContact CG-CE2 3.79Å; M708-Y714 HydrophobicContact SD-CD2 3.94Å; M708-Y714 HydrophobicContact SD-CE2 3.99Å
709	R	83.9	Confident	85.4	Confident	160 Å²	160	47.8 Å²	47.8	60%	0.604	23%	0.232	S	C	*	.			trans	-57.4	152.7	-174.4	-67.1	-178.4	-173.3	171.9	1.5	114.4	D662 F707 T712	D662-R709 WeakPolarHBondContact OD1-CA 3.33Å; F707-R709 HydrophobicContact CD2-CG 3.95Å; F707-R709 HydrophobicContact CE2-CG 3.81Å; F707-R709 PolarHBondContact O-N 2.93Å; R709-T712 HydrophobicContact CB-CG2 3.76Å; R709-T712 WeakPolarHBondContact O-CB 3.33Å; R709-T712 WeakPolarHBondContact O-CG2 3.46Å; R709-T712 PolarHBondContact O-N 2.85Å; R709-T712 PolarHBondContact O-OG1 3.45Å
710	A	84.9	Confident	85.3	Confident	31 Å²	31	47.8 Å²	47.8	26%	0.256	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	141.5	168.7	0	0	0	0	0	112.4	G660 D662 T712	G660-A710 WeakPolarHBondContact O-CA 3.38Å; G660-A710 WeakPolarHBondContact O-CB 3.19Å; D662-A710 PolarHBondContact OD1-N 3.01Å; A710-T712 PolarHBondContact O-N 2.98Å; A710-T712 VanDerWaalsContact O-N 3.13Å
711	Q	86.1	Confident	85.1	Confident	140 Å²	140	47 Å²	47	65%	0.654	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	15.1	179.6	-50.5	-54.5	-38.5	0	0	116.3	N658 S659	N658-Q711 CarbonylContact O-C 3.13Å; N658-Q711 WeakPolarHBondContact O-CA 3.32Å; N658-Q711 PolarHBondContact O-N 2.97Å; S659-Q711 PolarHBondContact O-NE2 3.5Å
712	T	88.2	Confident	84.9	Confident	39 Å²	39	47.2 Å²	47.2	24%	0.239	23%	0.232	C	C	.	.			trans	-91.4	155.2	179.4	63.8	0	0	0	0	114	S657 N658 M708 R709 A710	S657-T712 VanDerWaalsContact CA-O 3.32Å; S657-T712 WeakPolarHBondContact CA-O 3.09Å; N658-T712 PolarHBondContact N-O 2.9Å; N658-T712 PolarHBondContact O-N 2.78Å; M708-T712 VanDerWaalsContact CE-O 3.3Å; M708-T712 WeakPolarHBondContact CE-O 3.37Å; M708-T712 WeakPolarHBondContact CG-OG1 3.44Å; R709-T712 HydrophobicContact CB-CG2 3.76Å; R709-T712 WeakPolarHBondContact O-CB 3.33Å; R709-T712 WeakPolarHBondContact O-CG2 3.46Å; R709-T712 PolarHBondContact O-N 2.85Å; R709-T712 PolarHBondContact O-OG1 3.45Å; A710-T712 PolarHBondContact O-N 2.98Å; A710-T712 VanDerWaalsContact O-N 3.13Å
713	K	89.7	Confident	84.4	Confident	119 Å²	119	49.5 Å²	49.5	52%	0.517	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139.7	177.1	-50	-158.4	176.5	-167.2	0	112	I656 K687	I656-K713 WeakPolarHBondContact O-CA 3.45Å; K687-K713 PolarHBondContact NZ-O 3.02Å
714	Y	89.9	Confident	84	Confident	24 Å²	24	55.2 Å²	55.2	9%	0.094	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.4	-175.6	-71	-118.7	0	0	0	108.9	T655 I656 K687 I689 V703 M708	T655-Y714 VanDerWaalsContact CA-O 3.32Å; T655-Y714 WeakPolarHBondContact CA-O 3.24Å; I656-Y714 PolarHBondContact N-O 2.59Å; I656-Y714 VanDerWaalsContact N-O 3.09Å; I656-Y714 PolarHBondContact O-N 2.98Å; K687-Y714 HydrophobicContact CB-CD1 3.72Å; K687-Y714 HydrophobicContact CB-CE1 3.51Å; K687-Y714 HydrophobicContact CD-CD1 4.34Å; K687-Y714 HydrophobicContact CD-CE1 4.48Å; K687-Y714 WeakPolarHBondContact O-CE1 3.42Å; I689-Y714 HydrophobicContact CD1-CD1 4.1Å; I689-Y714 HydrophobicContact CG1-CD1 3.91Å; V703-Y714 HydrophobicContact CG1-CD1 3.48Å; V703-Y714 VanDerWaalsContact CG1-CD1 3.48Å; V703-Y714 HydrophobicContact CG1-CD2 4.17Å; V703-Y714 HydrophobicContact CG1-CE1 3.72Å; V703-Y714 HydrophobicContact CG1-CE2 4.43Å; V703-Y714 HydrophobicContact CG1-CG 3.73Å; M708-Y714 HydrophobicContact CE-CD2 3.54Å; M708-Y714 HydrophobicContact CE-CE2 3.86Å; M708-Y714 HydrophobicContact CG-CD2 4.34Å; M708-Y714 HydrophobicContact CG-CE2 3.79Å; M708-Y714 HydrophobicContact SD-CD2 3.94Å; M708-Y714 HydrophobicContact SD-CE2 3.99Å
715	H	89.8	Confident	84.4	Confident	83 Å²	83	55.7 Å²	55.7	38%	0.384	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	121.7	-176.6	-56.7	-77.3	0	0	0	110.3	T655 K684	T655-H715 WeakPolarHBondContact CG2-CE1 3.31Å; T655-H715 WeakPolarHBondContact CG2-ND1 3.22Å; T655-H715 PolarHBondContact OG1-ND1 2.99Å; K684-H715 PolarHBondContact N-O 3.35Å
716	F	90.9	Very high	84.7	Confident	6 Å²	6	53 Å²	53	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	165.7	179.3	69.8	-72.4	0	0	0	111.4	V654 I668 F670 W682 Q683 I689 C701 V718	V654-F716 HydrophobicContact CB-CE1 4.07Å; V654-F716 HydrophobicContact CB-CZ 4.16Å; V654-F716 HydrophobicContact CG1-CE1 3.97Å; V654-F716 HydrophobicContact CG1-CZ 4.16Å; V654-F716 PolarHBondContact N-O 2.83Å; V654-F716 PolarHBondContact O-N 3.4Å; I668-F716 HydrophobicContact CD1-CE1 3.68Å; I668-F716 HydrophobicContact CD1-CZ 3.7Å; F670-F716 HydrophobicContact CE2-CE2 4.13Å; F670-F716 HydrophobicContact CE2-CZ 4.17Å; F670-F716 AromaticContact CZ-CE2 3.75Å; F670-F716 HydrophobicContact CZ-CE2 3.75Å; F670-F716 AromaticContact CZ-CZ 3.78Å; F670-F716 HydrophobicContact CZ-CZ 3.78Å; W682-F716 CarbonylContact O-C 3.37Å; W682-F716 VanDerWaalsContact O-CA 3.24Å; W682-F716 WeakPolarHBondContact O-CA 3.44Å; W682-F716 WeakPolarHBondContact O-CB 3.36Å; Q683-F716 HydrophobicContact CB-CB 4.31Å; I689-F716 HydrophobicContact CD1-CB 3.84Å; I689-F716 HydrophobicContact CD1-CD1 3.75Å; I689-F716 HydrophobicContact CD1-CG 3.9Å; C701-F716 HydrophobicContact CB-CE2 4.45Å; F716-V718 HydrophobicContact CD2-CG2 4.07Å; F716-V718 HydrophobicContact CE2-CG2 3.76Å
717	A	90.4	Very high	85.1	Confident	8 Å²	8	50.7 Å²	50.7	7%	0.066	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.1	177.5	0	0	0	0	0	109.4	L652 N653 F681 W682	L652-A717 WeakPolarHBondContact O-CA 3.34Å; N653-A717 WeakPolarHBondContact OD1-CB 3.42Å; F681-A717 CarbonylContact C-O 3.53Å; F681-A717 VanDerWaalsContact CA-O 3.23Å; F681-A717 WeakPolarHBondContact CA-O 3.5Å; W682-A717 PolarHBondContact N-O 3.45Å; W682-A717 PolarHBondContact O-N 2.74Å
718	V	91.5	Very high	84.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131	171.8	-176.1	0	0	0	0	108.4	S651 L652 F670 Y678 L699 F716 F720	S651-V718 WeakPolarHBondContact CA-O 3.44Å; L652-V718 HydrophobicContact CB-CB 4.49Å; L652-V718 PolarHBondContact N-O 3.26Å; L652-V718 PolarHBondContact O-N 2.82Å; F670-V718 HydrophobicContact CD1-CG2 4.47Å; F670-V718 HydrophobicContact CE1-CB 4.44Å; F670-V718 HydrophobicContact CE1-CG2 3.79Å; F670-V718 HydrophobicContact CE2-CG2 4.13Å; F670-V718 HydrophobicContact CZ-CG2 3.6Å; Y678-V718 HydrophobicContact CD2-CG1 3.77Å; Y678-V718 HydrophobicContact CE2-CG1 3.88Å; L699-V718 HydrophobicContact CD2-CG1 3.64Å; L699-V718 HydrophobicContact CD2-CG2 4.29Å; F716-V718 HydrophobicContact CD2-CG2 4.07Å; F716-V718 HydrophobicContact CE2-CG2 3.76Å; V718-F720 HydrophobicContact CB-CE2 3.9Å; V718-F720 HydrophobicContact CB-CZ 4.3Å; V718-F720 HydrophobicContact CG1-CD2 4.16Å; V718-F720 HydrophobicContact CG1-CE1 4.15Å; V718-F720 HydrophobicContact CG1-CE2 3.45Å; V718-F720 VanDerWaalsContact CG1-CE2 3.45Å; V718-F720 HydrophobicContact CG1-CZ 3.45Å; V718-F720 VanDerWaalsContact CG1-CZ 3.45Å
719	I	90.5	Very high	84.5	Confident	51 Å²	51	59.8 Å²	59.8	26%	0.262	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.3	-174.9	-48.9	178.4	0	0	0	109.4	I679 N680	I679-I719 HydrophobicContact CD1-CG2 4.22Å; I679-I719 PolarHBondContact N-O 2.94Å; N680-I719 PolarHBondContact O-N 3.47Å
720	F	90.2	Very high	84.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.2	-175.9	-65.5	-81.3	0	0	0	111.6	N649 V650 L652 F672 V676 L677 V718 F734	N649-F720 CarbonylContact C-O 3.59Å; N649-F720 VanDerWaalsContact CA-O 3.3Å; N649-F720 WeakPolarHBondContact CA-O 3.27Å; V650-F720 PolarHBondContact N-O 2.87Å; V650-F720 PolarHBondContact O-N 3.28Å; L652-F720 HydrophobicContact CB-CD2 4.48Å; L652-F720 HydrophobicContact CB-CE2 4.1Å; L652-F720 HydrophobicContact CD2-CE2 4.02Å; F672-F720 AromaticContact CD1-CE1 3.78Å; F672-F720 HydrophobicContact CD1-CE1 3.78Å; F672-F720 HydrophobicContact CD1-CZ 4.09Å; F672-F720 HydrophobicContact CD2-CD1 4.49Å; F672-F720 HydrophobicContact CD2-CE1 4.12Å; F672-F720 AromaticContact CE1-CE1 3.78Å; F672-F720 HydrophobicContact CE1-CE1 3.78Å; F672-F720 HydrophobicContact CE1-CZ 4.32Å; F672-F720 HydrophobicContact CE2-CE1 4.11Å; F672-F720 AromaticContact CG-CE1 3.97Å; F672-F720 HydrophobicContact CG-CE1 3.97Å; F672-F720 HydrophobicContact CG-CZ 4.48Å; F672-F720 AromaticContact CZ-CE1 3.96Å; F672-F720 HydrophobicContact CZ-CE1 3.96Å; V676-F720 HydrophobicContact CG1-CB 3.57Å; V676-F720 HydrophobicContact CG1-CD1 3.83Å; V676-F720 HydrophobicContact CG1-CG 3.96Å; L677-F720 CarbonylContact O-C 3.54Å; L677-F720 VanDerWaalsContact O-CA 3.28Å; L677-F720 WeakPolarHBondContact O-CA 3.3Å; V718-F720 HydrophobicContact CB-CE2 3.9Å; V718-F720 HydrophobicContact CB-CZ 4.3Å; V718-F720 HydrophobicContact CG1-CD2 4.16Å; V718-F720 HydrophobicContact CG1-CE1 4.15Å; V718-F720 HydrophobicContact CG1-CE2 3.45Å; V718-F720 VanDerWaalsContact CG1-CE2 3.45Å; V718-F720 HydrophobicContact CG1-CZ 3.45Å; V718-F720 VanDerWaalsContact CG1-CZ 3.45Å; F720-F734 HydrophobicContact CD1-CE1 4.34Å; F720-F734 AromaticContact CD2-CE1 3.77Å; F720-F734 HydrophobicContact CD2-CE1 3.77Å; F720-F734 HydrophobicContact CD2-CZ 4.41Å; F720-F734 HydrophobicContact CE1-CE1 4.37Å; F720-F734 HydrophobicContact CE2-CD1 4.12Å; F720-F734 AromaticContact CE2-CE1 3.79Å; F720-F734 HydrophobicContact CE2-CE1 3.79Å; F720-F734 HydrophobicContact CG-CE1 4.05Å; F720-F734 HydrophobicContact CZ-CD1 4.31Å; F720-F734 HydrophobicContact CZ-CE1 4.1Å
721	D	87.4	Confident	84.2	Confident	41 Å²	41	58.3 Å²	58.3	22%	0.219	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.2	170.7	-161.6	-49	0	0	0	109.9	V676 L677 I679 T723	V676-D721 WeakPolarHBondContact CA-O 3.18Å; V676-D721 WeakPolarHBondContact CG1-O 3.25Å; L677-D721 HydrophobicContact CB-CB 4.17Å; L677-D721 PolarHBondContact N-O 3.05Å; L677-D721 VanDerWaalsContact N-O 3.13Å; L677-D721 PolarHBondContact O-N 3.02Å; I679-D721 HydrophobicContact CD1-CB 3.86Å; I679-D721 HydrophobicContact CG1-CB 3.97Å; D721-T723 VanDerWaalsContact OD1-CB 3.23Å; D721-T723 WeakPolarHBondContact OD1-CB 3.32Å; D721-T723 VanDerWaalsContact OD1-CG2 3.23Å; D721-T723 WeakPolarHBondContact OD1-CG2 3.47Å; D721-T723 PolarHBondContact OD1-N 3.42Å; D721-T723 PolarHBondContact OD1-OG1 3.44Å
722	T	86.2	Confident	84.2	Confident	3 Å²	3	52 Å²	52	2%	0.018	27%	0.274	C	S	.	.			trans	-115.5	15.7	179.2	52.1	0	0	0	0	113.6	L642 V647 R648 V650 V676 Q724 V725 L732	L642-T722 HydrophobicContact CD1-CG2 4.1Å; V647-T722 PolarHBondContact O-OG1 2.81Å; V647-T722 VanDerWaalsContact O-OG1 3.09Å; R648-T722 PolarHBondContact O-N 2.73Å; R648-T722 PolarHBondContact O-OG1 3.42Å; V650-T722 HydrophobicContact CB-CG2 4.27Å; V650-T722 HydrophobicContact CG2-CG2 3.59Å; V676-T722 HydrophobicContact CG2-CG2 4.37Å; T722-Q724 VanDerWaalsContact C-N 3.26Å; T722-Q724 PolarHBondContact O-N 2.93Å; T722-V725 HydrophobicContact CG2-CG2 4.21Å; T722-V725 WeakPolarHBondContact O-CG2 3.16Å; T722-V725 PolarHBondContact O-N 2.85Å; T722-L732 HydrophobicContact CG2-CD2 4.36Å
723	T	79.6	Confident	84.2	Confident	80 Å²	80	55.5 Å²	55.5	49%	0.491	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17	-179.8	55.2	0	0	0	0	114.8	R648 D721	R648-T723 HydrophobicContact CB-CG2 4.31Å; R648-T723 HydrophobicContact CG-CG2 4.16Å; D721-T723 VanDerWaalsContact OD1-CB 3.23Å; D721-T723 WeakPolarHBondContact OD1-CB 3.32Å; D721-T723 VanDerWaalsContact OD1-CG2 3.23Å; D721-T723 WeakPolarHBondContact OD1-CG2 3.47Å; D721-T723 PolarHBondContact OD1-N 3.42Å; D721-T723 PolarHBondContact OD1-OG1 3.44Å
724	Q	78.2	Confident	84.2	Confident	123 Å²	123	49.9 Å²	49.9	58%	0.575	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	4.3	178.9	-57.9	-170	16	0	0	114	E675 T722 S726	E675-Q724 CarbonylContact O-C 3.57Å; T722-Q724 VanDerWaalsContact C-N 3.26Å; T722-Q724 PolarHBondContact O-N 2.93Å; Q724-S726 PolarHBondContact O-N 2.94Å
725	V	83.4	Confident	84.3	Confident	19 Å²	19	52 Å²	52	12%	0.115	28%	0.276	C	S	.	.			trans	-66.8	122.7	-179.5	178.5	0	0	0	0	110.9	L644 E675 V676 T722 L758	L644-V725 HydrophobicContact CD2-CB 4.22Å; L644-V725 HydrophobicContact CD2-CG1 3.63Å; E675-V725 HydrophobicContact CB-CG2 4.33Å; E675-V725 WeakPolarHBondContact OE2-CA 3.34Å; V676-V725 HydrophobicContact CG2-CG2 3.9Å; T722-V725 HydrophobicContact CG2-CG2 4.21Å; T722-V725 WeakPolarHBondContact O-CG2 3.16Å; T722-V725 PolarHBondContact O-N 2.85Å; V725-L758 HydrophobicContact CG1-CD1 3.55Å; V725-L758 HydrophobicContact CG1-CD2 4.29Å
726	S	73.9	Confident	84.5	Confident	54 Å²	54	48 Å²	48	38%	0.378	26%	0.257	S	S	.	.			trans	-77.5	-36.7	-169.1	66.4	0	0	0	0	113.6	E675 Q724 E728	E675-S726 VanDerWaalsContact CD-OG 3.24Å; E675-S726 VanDerWaalsContact OE1-CB 3.25Å; E675-S726 WeakPolarHBondContact OE1-CB 3.44Å; E675-S726 PolarHBondContact OE1-OG 3.13Å; E675-S726 PolarHBondContact OE2-N 2.85Å; E675-S726 PolarHBondContact OE2-OG 2.77Å; Q724-S726 PolarHBondContact O-N 2.94Å; S726-E728 PolarHBondContact OG-N 2.64Å
727	G	71.5	Confident	84.6	Confident	14 Å²	14	51 Å²	51	14%	0.144	27%	0.271	C	S	.	.	S	Bend	trans	83.3	13.9	-167.8	0	0	0	0	0	114.9
728	E	71.9	Confident	84.8	Confident	155 Å²	155	50.7 Å²	50.7	72%	0.724	27%	0.269	S	S	*	.			trans	-68.5	-34.2	176	-71.2	-169.7	174.2	0	0	113	S726	S726-E728 PolarHBondContact OG-N 2.64Å
729	N	76.1	Confident	84.7	Confident	106 Å²	106	55.9 Å²	55.9	57%	0.567	29%	0.291	S	S	*	.	S	Bend	trans	-99.4	143.9	176.2	-69.3	-55.6	0	0	0	111.6	T731 L758	N729-T731 PolarHBondContact O-N 2.8Å; N729-L758 WeakPolarHBondContact O-CD1 3.18Å
730	D	78.6	Confident	84.6	Confident	105 Å²	105	54.6 Å²	54.6	56%	0.561	29%	0.287	S	S	*	.	S	Bend	trans	-72.6	-15.4	-179.9	-54.8	-50.8	0	0	0	113.2	S757 L758 R941	D730-S757 WeakPolarHBondContact O-CA 3.4Å; D730-L758 PolarHBondContact O-N 3.26Å; D730-R941 IonicContact OD1-CZ 3.94Å; D730-R941 IonicContact OD1-NH2 3.43Å; D730-R941 PolarHBondContact OD1-NH2 2.79Å; D730-R941 IonicContact OD2-NH2 2.83Å
731	T	84.1	Confident	84.2	Confident	55 Å²	55	57 Å²	57	34%	0.337	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	141	177.8	61.8	0	0	0	0	113.1	N729 I756	N729-T731 PolarHBondContact O-N 2.8Å; T731-I756 CarbonylContact C-O 3.59Å; T731-I756 VanDerWaalsContact CA-O 3.28Å; T731-I756 WeakPolarHBondContact CA-O 3.4Å
732	L	86.3	Confident	84.1	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.3	165.8	175.8	64.3	0	0	0	110	V676 T722 F734 S755 I756 L758	V676-L732 HydrophobicContact CG2-CD1 3.73Å; V676-L732 HydrophobicContact CG2-CD2 3.84Å; V676-L732 HydrophobicContact CG2-CG 4.44Å; T722-L732 HydrophobicContact CG2-CD2 4.36Å; L732-F734 HydrophobicContact CD2-CE2 3.71Å; L732-F734 HydrophobicContact CD2-CZ 3.92Å; L732-F734 HydrophobicContact CG-CD2 4.49Å; L732-F734 HydrophobicContact CG-CE2 3.74Å; L732-F734 HydrophobicContact CG-CZ 4.24Å; L732-S755 CarbonylContact O-C 3.58Å; L732-S755 VanDerWaalsContact O-CA 3.29Å; L732-S755 WeakPolarHBondContact O-CA 3.5Å; L732-I756 HydrophobicContact CB-CG2 4.1Å; L732-I756 PolarHBondContact N-O 3.44Å; L732-I756 PolarHBondContact O-N 3.16Å; L732-L758 HydrophobicContact CB-CD1 4.34Å; L732-L758 HydrophobicContact CB-CD2 4.03Å; L732-L758 HydrophobicContact CB-CG 4.35Å
733	Q	88.6	Confident	83.8	Confident	112 Å²	112	58.6 Å²	58.6	52%	0.523	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	147.4	-176	-66.4	177.8	-11.2	0	0	112.3
734	F	90.3	Very high	84.1	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.009	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	114.7	175.1	-65.6	-96.4	0	0	0	109.7	L631 L652 F672 V676 F720 L732 L754	L631-F734 HydrophobicContact CD1-CD2 3.69Å; L631-F734 HydrophobicContact CD1-CE2 3.63Å; L652-F734 HydrophobicContact CD2-CB 4.28Å; L652-F734 HydrophobicContact CD2-CD1 4.2Å; L652-F734 HydrophobicContact CD2-CG 4.4Å; F672-F734 HydrophobicContact CB-CD1 3.65Å; F672-F734 HydrophobicContact CB-CE1 3.83Å; V676-F734 HydrophobicContact CG1-CE1 4.31Å; V676-F734 HydrophobicContact CG1-CZ 4.25Å; F720-F734 HydrophobicContact CD1-CE1 4.34Å; F720-F734 AromaticContact CD2-CE1 3.77Å; F720-F734 HydrophobicContact CD2-CE1 3.77Å; F720-F734 HydrophobicContact CD2-CZ 4.41Å; F720-F734 HydrophobicContact CE1-CE1 4.37Å; F720-F734 HydrophobicContact CE2-CD1 4.12Å; F720-F734 AromaticContact CE2-CE1 3.79Å; F720-F734 HydrophobicContact CE2-CE1 3.79Å; F720-F734 HydrophobicContact CG-CE1 4.05Å; F720-F734 HydrophobicContact CZ-CD1 4.31Å; F720-F734 HydrophobicContact CZ-CE1 4.1Å; L732-F734 HydrophobicContact CD2-CE2 3.71Å; L732-F734 HydrophobicContact CD2-CZ 3.92Å; L732-F734 HydrophobicContact CG-CD2 4.49Å; L732-F734 HydrophobicContact CG-CE2 3.74Å; L732-F734 HydrophobicContact CG-CZ 4.24Å; F734-L754 PolarHBondContact N-O 2.71Å; F734-L754 PolarHBondContact O-N 2.95Å
735	L	91.9	Very high	84.4	Confident	67 Å²	67	57.4 Å²	57.4	35%	0.351	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.1	176.1	178.3	63.7	0	0	0	110	N671	N671-L735 HydrophobicContact CB-CB 4.44Å; N671-L735 PolarHBondContact N-O 3.16Å; N671-L735 PolarHBondContact O-N 2.87Å
736	V	93.6	Very high	84.4	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	133.3	-179.5	-166.1	0	0	0	0	110	L627 L652 I668 Y669 F670 S751 L752	L627-V736 HydrophobicContact CD1-CB 4.31Å; L627-V736 HydrophobicContact CD1-CG1 3.82Å; L652-V736 HydrophobicContact CD2-CG2 4.1Å; I668-V736 HydrophobicContact CG2-CG1 3.51Å; Y669-V736 CarbonylContact O-C 3.59Å; Y669-V736 VanDerWaalsContact O-CA 3.31Å; Y669-V736 WeakPolarHBondContact O-CA 3.32Å; F670-V736 HydrophobicContact CD1-CB 4.33Å; F670-V736 HydrophobicContact CD1-CG1 3.83Å; F670-V736 HydrophobicContact CD1-CG2 3.58Å; F670-V736 HydrophobicContact CD2-CG1 4.48Å; F670-V736 HydrophobicContact CE1-CG1 3.74Å; F670-V736 HydrophobicContact CE1-CG2 3.89Å; F670-V736 HydrophobicContact CE2-CG1 4.38Å; F670-V736 HydrophobicContact CG-CG1 4.2Å; F670-V736 HydrophobicContact CG-CG2 4.39Å; F670-V736 HydrophobicContact CZ-CG1 4.01Å; V736-S751 WeakPolarHBondContact O-CA 3.44Å; V736-L752 HydrophobicContact CB-CB 4.33Å; V736-L752 PolarHBondContact N-O 3.45Å; V736-L752 PolarHBondContact O-N 3.22Å
737	Q	93.4	Very high	85	Confident	69 Å²	69	64.3 Å²	64.3	32%	0.322	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133.1	179.3	-65.6	-173.8	1.4	0	0	112.2	I668 Y669 N750	I668-Q737 CarbonylContact C-O 3.59Å; I668-Q737 WeakPolarHBondContact CA-O 3.32Å; Y669-Q737 PolarHBondContact N-O 3.04Å; Y669-Q737 PolarHBondContact O-N 2.91Å; Q737-N750 CarbonylContact C-O 3.53Å; Q737-N750 VanDerWaalsContact CA-O 3.26Å; Q737-N750 WeakPolarHBondContact CA-O 3.3Å
738	A	92.8	Very high	85.7	Confident	2 Å²	2	67.4 Å²	67.4	2%	0.017	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	145.2	169.6	0	0	0	0	0	111.5	L625 L627 I656 N667 I668 N750	L625-A738 HydrophobicContact CD1-CB 4.28Å; L627-A738 HydrophobicContact CD1-CB 3.97Å; L627-A738 HydrophobicContact CD2-CB 3.95Å; L627-A738 HydrophobicContact CG-CB 3.76Å; I656-A738 HydrophobicContact CD1-CB 3.87Å; N667-A738 WeakPolarHBondContact O-CA 3.38Å; I668-A738 HydrophobicContact CG1-CB 4.34Å; A738-N750 PolarHBondContact N-O 2.87Å; A738-N750 WeakPolarHBondContact O-CB 3.47Å
739	K	89.6	Confident	86.5	Confident	108 Å²	108	61.6 Å²	61.6	47%	0.47	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	145.6	172.5	-58.1	-177.6	-177.3	172	0	109.7	T666 N667 Y669	T666-K739 WeakPolarHBondContact CA-O 3.34Å; N667-K739 PolarHBondContact N-O 2.97Å; N667-K739 PolarHBondContact O-N 2.85Å; Y669-K739 HydrophobicContact CE2-CB 4.34Å; Y669-K739 HydrophobicContact CE2-CD 4.3Å; Y669-K739 HydrophobicContact CE2-CG 4.38Å
740	S	88.9	Confident	87.2	Confident	25 Å²	25	57 Å²	57	18%	0.175	30%	0.303	C	S	.	.			trans	-118.3	-179.9	163.8	67.4	0	0	0	0	110	N742	S740-N742 PolarHBondContact OG-N 2.94Å
741	A	81.7	Confident	87.7	Confident	49 Å²	49	55.1 Å²	55.1	41%	0.405	30%	0.298	S	S	.	.	S	Bend	trans	-92.6	-1	170.1	0	0	0	0	0	113.6	F565 Y664 D665	F565-A741 HydrophobicContact CD2-CB 3.77Å; F565-A741 HydrophobicContact CE2-CB 3.35Å; F565-A741 HydrophobicContact CZ-CB 3.83Å; Y664-A741 PolarHBondContact O-N 2.85Å; D665-A741 HydrophobicContact CB-CB 4.43Å
742	N	85.6	Confident	88.1	Confident	13 Å²	13	53.9 Å²	53.9	7%	0.07	29%	0.289	C	S	.	.	S	Bend	trans	-76.9	157.2	171.6	-65	62	0	0	0	110.7	C621 A623 D662 A663 Y664 S740	C621-N742 PolarHBondContact O-ND2 2.83Å; A623-N742 HydrophobicContact CB-CB 3.79Å; D662-N742 PolarHBondContact O-ND2 3.01Å; D662-N742 PolarHBondContact O-OD1 2.78Å; A663-N742 WeakPolarHBondContact CA-OD1 3.28Å; Y664-N742 PolarHBondContact N-OD1 3.45Å; S740-N742 PolarHBondContact OG-N 2.94Å
743	P	80.6	Confident	88.3	Confident	65 Å²	65	58.4 Å²	58.4	42%	0.422	31%	0.314	S	S	.	.			trans	-64.8	152.4	162.2	29.2	-32	0	0	0	110.3	D620 A622 A623	D620-P743 WeakPolarHBondContact O-CG 3.21Å; A622-P743 VanDerWaalsContact CA-O 3.28Å; A622-P743 WeakPolarHBondContact CA-O 3.24Å; A623-P743 PolarHBondContact N-O 3.33Å
744	E	85.1	Confident	88.3	Confident	29 Å²	29	54.7 Å²	54.7	14%	0.136	30%	0.297	C	S	.	.			trans	-151.9	115.7	-174.1	-178	149.3	-127.2	0	0	111	D624 L625 K746 L747 N750	D624-E744 WeakPolarHBondContact CA-OE1 3.07Å; L625-E744 WeakPolarHBondContact CB-OE1 3.33Å; L625-E744 PolarHBondContact N-OE1 2.02Å; E744-K746 VanDerWaalsContact C-N 3.3Å; E744-K746 PolarHBondContact O-N 2.87Å; E744-L747 HydrophobicContact CB-CD2 4.18Å; E744-L747 HydrophobicContact CG-CD2 4.12Å; E744-N750 VanDerWaalsContact CD-ND2 3.33Å; E744-N750 PolarHBondContact OE2-ND2 3.14Å
745	H	83.9	Confident	88.1	Confident	150 Å²	150	58.3 Å²	58.3	69%	0.694	32%	0.323	S	S	*	.	S	Bend	trans	-75.2	-17.1	-172.5	-64.7	-67.1	0	0	0	114	D620	D620-H745 IonicContact OD2-CD2 2.76Å; D620-H745 IonicContact OD2-CE1 3Å; D620-H745 PolarHBondContact OD2-CE1 2.9Å; D620-H745 VanDerWaalsContact OD2-CE1 3.27Å; D620-H745 IonicContact OD2-NE2 2.65Å; D620-H745 PolarHBondContact OD2-NE2 2.92Å
746	K	85.1	Confident	87.9	Confident	98 Å²	98	55.9 Å²	55.9	43%	0.426	31%	0.31	S	S	.	.			trans	-133.4	65.9	-165.2	-157	-165.7	177.1	-143.7	0	113.5	E744 S748 D749	E744-K746 VanDerWaalsContact C-N 3.3Å; E744-K746 PolarHBondContact O-N 2.87Å; K746-S748 PolarHBondContact O-N 2.98Å; K746-D749 VanDerWaalsContact CD-OD1 3.3Å; K746-D749 WeakPolarHBondContact CD-OD1 3.39Å; K746-D749 WeakPolarHBondContact CE-OD1 3.3Å; K746-D749 IonicContact NZ-OD1 3.57Å; K746-D749 PolarHBondContact NZ-OD1 3.06Å; K746-D749 IonicContact NZ-OD2 2.74Å; K746-D749 PolarHBondContact NZ-OD2 3.15Å
747	L	86.3	Confident	87.4	Confident	119 Å²	119	58.8 Å²	58.8	62%	0.623	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-64.8	-6	-178.6	-58.6	174.7	0	0	0	115.3	E744 N750	E744-L747 HydrophobicContact CB-CD2 4.18Å; E744-L747 HydrophobicContact CG-CD2 4.12Å; L747-N750 PolarHBondContact O-N 3.48Å
748	S	85.1	Confident	86.9	Confident	80 Å²	80	56.5 Å²	56.5	56%	0.559	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-67.2	-32.8	-179.4	49	0	0	0	0	114.1	K746 N750 S751	K746-S748 PolarHBondContact O-N 2.98Å; S748-N750 VanDerWaalsContact C-N 3.31Å; S748-S751 PolarHBondContact O-OG 3.15Å
749	D	88.7	Confident	86.4	Confident	32 Å²	32	58.2 Å²	58.2	17%	0.171	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-88	-8.2	-174.8	-48.3	32.4	0	0	0	111.4	R626 L627 K746 S751	R626-D749 HydrophobicContact CB-CB 4.01Å; R626-D749 WeakPolarHBondContact CD-OD2 3.43Å; R626-D749 HydrophobicContact CG-CB 3.85Å; R626-D749 IonicContact NE-OD2 3.67Å; L627-D749 PolarHBondContact N-O 3.27Å; K746-D749 VanDerWaalsContact CD-OD1 3.3Å; K746-D749 WeakPolarHBondContact CD-OD1 3.39Å; K746-D749 WeakPolarHBondContact CE-OD1 3.3Å; K746-D749 IonicContact NZ-OD1 3.57Å; K746-D749 PolarHBondContact NZ-OD1 3.06Å; K746-D749 IonicContact NZ-OD2 2.74Å; K746-D749 PolarHBondContact NZ-OD2 3.15Å; D749-S751 VanDerWaalsContact C-N 3.31Å
750	N	90.4	Very high	86	Confident	9 Å²	9	54.4 Å²	54.4	5%	0.048	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-81.5	-10	-179.8	-79.4	-11	0	0	0	113.4	L625 L627 Q737 A738 E744 L747 S748	L625-N750 VanDerWaalsContact CB-OD1 3.23Å; L625-N750 WeakPolarHBondContact CB-OD1 3.41Å; L625-N750 PolarHBondContact O-OD1 2.98Å; L627-N750 WeakPolarHBondContact CD1-O 3.34Å; Q737-N750 CarbonylContact C-O 3.53Å; Q737-N750 VanDerWaalsContact CA-O 3.26Å; Q737-N750 WeakPolarHBondContact CA-O 3.3Å; A738-N750 PolarHBondContact N-O 2.87Å; A738-N750 WeakPolarHBondContact O-CB 3.47Å; E744-N750 VanDerWaalsContact CD-ND2 3.33Å; E744-N750 PolarHBondContact OE2-ND2 3.14Å; L747-N750 PolarHBondContact O-N 3.48Å; S748-N750 VanDerWaalsContact C-N 3.31Å
751	S	90.9	Very high	85.7	Confident	66 Å²	66	54 Å²	54	46%	0.462	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	139.6	179.9	54.8	0	0	0	0	112.2	V736 S748 D749	V736-S751 WeakPolarHBondContact O-CA 3.44Å; S748-S751 PolarHBondContact O-OG 3.15Å; D749-S751 VanDerWaalsContact C-N 3.31Å
752	L	91.4	Very high	85.7	Confident	29 Å²	29	51.7 Å²	51.7	15%	0.152	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	121.3	177.2	173.1	66.6	0	0	0	108.7	L627 V736 L754	L627-L752 HydrophobicContact CB-CB 4.39Å; V736-L752 HydrophobicContact CB-CB 4.33Å; V736-L752 PolarHBondContact N-O 3.45Å; V736-L752 PolarHBondContact O-N 3.22Å; L752-L754 HydrophobicContact CD1-CD1 4.32Å; L752-L754 HydrophobicContact CD1-CD2 4.34Å; L752-L754 HydrophobicContact CD1-CG 4.1Å; L752-L754 HydrophobicContact CD2-CD1 3.87Å; L752-L754 HydrophobicContact CD2-CG 4.46Å; L752-L754 HydrophobicContact CG-CD1 4Å; L752-L754 HydrophobicContact CG-CG 4.05Å
753	D	90.5	Very high	85.7	Confident	103 Å²	103	52 Å²	52	55%	0.551	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.9	174.5	-173.4	2.4	0	0	0	109.1
754	L	88.9	Confident	85.9	Confident	33 Å²	33	49.2 Å²	49.2	17%	0.173	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	112.1	-176.6	-72.9	173.1	0	0	0	110.7	L652 F734 L752	L652-L754 HydrophobicContact CD1-CD1 3.53Å; F734-L754 PolarHBondContact N-O 2.71Å; F734-L754 PolarHBondContact O-N 2.95Å; L752-L754 HydrophobicContact CD1-CD1 4.32Å; L752-L754 HydrophobicContact CD1-CD2 4.34Å; L752-L754 HydrophobicContact CD1-CG 4.1Å; L752-L754 HydrophobicContact CD2-CD1 3.87Å; L752-L754 HydrophobicContact CD2-CG 4.46Å; L752-L754 HydrophobicContact CG-CD1 4Å; L752-L754 HydrophobicContact CG-CG 4.05Å
755	S	86.7	Confident	85.9	Confident	79 Å²	79	48.5 Å²	48.5	55%	0.552	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.3	-179.4	62.9	0	0	0	0	112.9	L732	L732-S755 CarbonylContact O-C 3.58Å; L732-S755 VanDerWaalsContact O-CA 3.29Å; L732-S755 WeakPolarHBondContact O-CA 3.5Å
756	I	86.3	Confident	86.1	Confident	15 Å²	15	41.9 Å²	41.9	8%	0.077	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.5	170.8	-175	162.6	0	0	0	111.6	L631 L633 L642 T731 L732	L631-I756 HydrophobicContact CD1-CG2 4.1Å; L631-I756 HydrophobicContact CD2-CB 4.39Å; L631-I756 HydrophobicContact CD2-CD1 3.8Å; L631-I756 HydrophobicContact CD2-CG2 4.38Å; L633-I756 HydrophobicContact CD1-CD1 4.07Å; L633-I756 HydrophobicContact CD2-CD1 3.72Å; L633-I756 HydrophobicContact CG-CD1 4.04Å; L642-I756 HydrophobicContact CB-CD1 4.18Å; L642-I756 HydrophobicContact CB-CG1 4.4Å; T731-I756 CarbonylContact C-O 3.59Å; T731-I756 VanDerWaalsContact CA-O 3.28Å; T731-I756 WeakPolarHBondContact CA-O 3.4Å; L732-I756 HydrophobicContact CB-CG2 4.1Å; L732-I756 PolarHBondContact N-O 3.44Å; L732-I756 PolarHBondContact O-N 3.16Å
757	S	83.3	Confident	86.3	Confident	61 Å²	61	40.3 Å²	40.3	43%	0.427	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140.4	179.3	-55.8	0	0	0	0	112.4	H641 L642 D730	H641-S757 WeakPolarHBondContact CA-O 3.37Å; L642-S757 PolarHBondContact N-O 3.07Å; D730-S757 WeakPolarHBondContact O-CA 3.4Å
758	L	84.4	Confident	86.4	Confident	22 Å²	22	35.6 Å²	35.6	12%	0.115	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.7	178.1	-57.9	-175.3	0	0	0	110.1	L642 L644 V725 N729 D730 L732	L642-L758 HydrophobicContact CB-CD2 3.96Å; L642-L758 HydrophobicContact CD2-CD2 4.1Å; L642-L758 HydrophobicContact CG-CD2 4.46Å; L644-L758 HydrophobicContact CD2-CB 4.27Å; L644-L758 HydrophobicContact CD2-CD1 4.37Å; L644-L758 HydrophobicContact CD2-CD2 4.31Å; L644-L758 HydrophobicContact CG-CB 4.49Å; V725-L758 HydrophobicContact CG1-CD1 3.55Å; V725-L758 HydrophobicContact CG1-CD2 4.29Å; N729-L758 WeakPolarHBondContact O-CD1 3.18Å; D730-L758 PolarHBondContact O-N 3.26Å; L732-L758 HydrophobicContact CB-CD1 4.34Å; L732-L758 HydrophobicContact CB-CD2 4.03Å; L732-L758 HydrophobicContact CB-CG 4.35Å
759	I	81.1	Confident	86.7	Confident	38 Å²	38	36.2 Å²	36.2	20%	0.195	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	141.3	-179.2	-60.5	-173.6	0	0	0	110.8	H641 L642 A643 L644 I943	H641-I759 HydrophobicContact CB-CD1 3.73Å; H641-I759 HydrophobicContact CB-CG1 4.01Å; L642-I759 PolarHBondContact O-N 2.9Å; A643-I759 WeakPolarHBondContact CA-O 3.31Å; L644-I759 PolarHBondContact N-O 3.03Å; I759-I943 HydrophobicContact CD1-CD1 4.09Å; I759-I943 HydrophobicContact CG2-CB 4.41Å; I759-I943 HydrophobicContact CG2-CD1 3.88Å; I759-I943 HydrophobicContact CG2-CG1 3.87Å
760	H	81.6	Confident	86.8	Confident	27 Å²	27	35.5 Å²	35.5	13%	0.125	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.6	167.7	-61.5	-105.7	0	0	0	109.8	R812 A942 I943	H760-R812 PolarHBondContact ND1-O 3.07Å; H760-A942 HydrophobicContact CB-CB 3.79Å; H760-A942 CarbonylContact O-C 3.48Å; H760-A942 VanDerWaalsContact O-CA 3.27Å; H760-A942 WeakPolarHBondContact O-CA 3.49Å; H760-I943 PolarHBondContact O-N 3.03Å
761	E	81.4	Confident	86.8	Confident	16 Å²	16	38.4 Å²	38.4	8%	0.075	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.1	171.7	-66.3	-172	-175.3	0	0	109.8	R639 H641 A643 P810 S811 V945	R639-E761 IonicContact CZ-OE1 2.7Å; R639-E761 IonicContact CZ-OE2 3.47Å; R639-E761 IonicContact NH1-OE1 3.79Å; R639-E761 PolarHBondContact NH1-OE1 3.17Å; R639-E761 IonicContact NH1-OE2 2.81Å; R639-E761 PolarHBondContact NH1-OE2 3.29Å; H641-E761 IonicContact CD2-OE1 3.6Å; H641-E761 IonicContact CE1-OE1 2.85Å; H641-E761 IonicContact NE2-OE1 3.57Å; H641-E761 PolarHBondContact NE2-OE1 2.84Å; A643-E761 HydrophobicContact CB-CG 3.93Å; E761-P810 HydrophobicContact CB-CG 4.23Å; E761-P810 VanDerWaalsContact O-CD 3.28Å; E761-P810 WeakPolarHBondContact O-CD 3.33Å; E761-S811 PolarHBondContact N-OG 3.38Å; E761-S811 VanDerWaalsContact O-CB 3.26Å; E761-S811 WeakPolarHBondContact O-CB 3.19Å; E761-S811 PolarHBondContact O-N 2.83Å; E761-S811 VanDerWaalsContact O-N 3.08Å; E761-S811 PolarHBondContact O-OG 3.3Å; E761-V945 HydrophobicContact CB-CG2 4.34Å; E761-V945 HydrophobicContact CG-CG2 4.5Å
762	T	83.4	Confident	86.6	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	163.7	-171.3	54.1	0	0	0	0	112.1	L813 A942 I943 E944 V945	T762-L813 HydrophobicContact CG2-CB 3.89Å; T762-L813 HydrophobicContact CG2-CD1 3.92Å; T762-A942 HydrophobicContact CG2-CB 4.19Å; T762-I943 PolarHBondContact N-O 2.71Å; T762-E944 CarbonylContact O-C 3.24Å; T762-E944 WeakPolarHBondContact O-CA 3.43Å; T762-V945 PolarHBondContact O-N 2.8Å
763	D	84.7	Confident	86.3	Confident	20 Å²	20	38.4 Å²	38.4	11%	0.107	24%	0.241	C	C	.	.			trans	-149.4	98.2	-178.7	-178.1	21.1	0	0	0	106.2	K808 N947	D763-K808 HydrophobicContact CB-CB 4.37Å; D763-K808 PolarHBondContact O-N 3.02Å; D763-N947 PolarHBondContact OD1-N 2.82Å; D763-N947 PolarHBondContact OD2-ND2 3.34Å
764	T	84.3	Confident	86.2	Confident	6 Å²	6	36.6 Å²	36.6	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	144.7	-171.1	67.3	0	0	0	0	112.9	I806 L813 V938 E944	T764-I806 WeakPolarHBondContact CA-O 3.21Å; T764-L813 HydrophobicContact CG2-CD1 4.45Å; T764-L813 HydrophobicContact CG2-CD2 3.75Å; T764-V938 HydrophobicContact CG2-CG2 3.59Å; T764-E944 VanDerWaalsContact CB-OE1 3.31Å; T764-E944 WeakPolarHBondContact CB-OE1 3.4Å; T764-E944 WeakPolarHBondContact CG2-OE1 3.42Å; T764-E944 PolarHBondContact N-OE1 2.92Å; T764-E944 PolarHBondContact OG1-OE1 3.45Å
765	T	85.8	Confident	86.2	Confident	14 Å²	14	35.7 Å²	35.7	9%	0.086	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.5	-174.6	53.9	0	0	0	0	110.6	A805 I806 L949	T765-A805 CarbonylContact O-C 3.34Å; T765-A805 WeakPolarHBondContact O-CA 3.29Å; T765-I806 PolarHBondContact N-O 3.28Å; T765-I806 PolarHBondContact O-N 3.34Å; T765-I806 PolarHBondContact OG1-O 2.72Å; T765-L949 HydrophobicContact CG2-CB 3.73Å; T765-L949 HydrophobicContact CG2-CD1 3.85Å; T765-L949 HydrophobicContact CG2-CG 4.45Å
766	I	88.2	Confident	86.1	Confident	11 Å²	11	34.7 Å²	34.7	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140	-178.3	-169.5	168.8	0	0	0	112.8	F803 Q804 V818 V936 E951 I953	I766-F803 HydrophobicContact CD1-CD1 4.13Å; I766-Q804 WeakPolarHBondContact CA-O 3.39Å; I766-V818 HydrophobicContact CD1-CG1 3.65Å; I766-V936 HydrophobicContact CB-CG2 3.67Å; I766-V936 HydrophobicContact CD1-CG2 3.94Å; I766-V936 HydrophobicContact CG1-CG2 4.26Å; I766-V936 HydrophobicContact CG2-CG2 4.14Å; I766-E951 VanDerWaalsContact CG2-O 3.31Å; I766-E951 WeakPolarHBondContact CG2-O 3.3Å; I766-I953 HydrophobicContact CB-CG2 4.49Å; I766-I953 HydrophobicContact CD1-CG2 4.16Å; I766-I953 HydrophobicContact CG1-CG2 3.97Å; I766-I953 HydrophobicContact CG2-CB 4.18Å; I766-I953 HydrophobicContact CG2-CG2 3.88Å
767	T	88.7	Confident	86	Confident	65 Å²	65	34 Å²	34	40%	0.399	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	171.6	172.8	63.2	0	0	0	0	110.2	F803 Q804	T767-F803 CarbonylContact O-C 3.54Å; T767-F803 WeakPolarHBondContact O-CA 3.31Å; T767-Q804 PolarHBondContact N-O 3.39Å; T767-Q804 PolarHBondContact O-N 2.82Å; T767-Q804 PolarHBondContact OG1-O 3.25Å
768	G	88.7	Confident	85.7	Confident	20 Å²	20	31.3 Å²	31.3	21%	0.206	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.6	167.6	178	0	0	0	0	0	114.7	T802 L955	G768-T802 CarbonylContact C-O 3.59Å; G768-T802 WeakPolarHBondContact CA-O 2.98Å; G768-L955 VanDerWaalsContact C-CD2 3.44Å; G768-L955 VanDerWaalsContact O-CD2 3.3Å; G768-L955 WeakPolarHBondContact O-CD2 3.44Å
769	V	90.9	Very high	85.1	Confident	93 Å²	93	35.8 Å²	35.8	56%	0.564	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-145.4	148.2	-175.7	-176.8	0	0	0	0	109.8	T771 L801 T802	V769-T771 HydrophobicContact CG1-CG2 4.29Å; V769-L801 WeakPolarHBondContact O-CA 3.02Å; V769-T802 PolarHBondContact N-O 2.88Å; V769-T802 PolarHBondContact O-N 3.35Å
770	V	91.4	Very high	84.5	Confident	17 Å²	17	36.3 Å²	36.3	10%	0.103	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.8	172.6	56.4	0	0	0	0	110.8	N800 L801 L955 V956 F957	V770-N800 WeakPolarHBondContact CA-O 3.38Å; V770-L801 HydrophobicContact CB-CG 4.09Å; V770-L801 HydrophobicContact CG2-CD1 4Å; V770-L801 HydrophobicContact CG2-CG 3.84Å; V770-L955 HydrophobicContact CG1-CB 4.38Å; V770-V956 WeakPolarHBondContact CG1-O 3.34Å; V770-F957 HydrophobicContact CG1-CB 4.07Å; V770-F957 HydrophobicContact CG1-CD1 4.41Å; V770-F957 HydrophobicContact CG2-CB 4.2Å; V770-F957 HydrophobicContact CG2-CD1 3.83Å; V770-F957 HydrophobicContact CG2-CG 4.2Å
771	T	89.4	Confident	84.2	Confident	71 Å²	71	36.7 Å²	36.7	44%	0.436	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	134.8	-179.6	56.2	0	0	0	0	112.2	V769 L799 N800	V769-T771 HydrophobicContact CG1-CG2 4.29Å; T771-L799 WeakPolarHBondContact O-CA 3.37Å; T771-N800 PolarHBondContact N-O 2.97Å; T771-N800 PolarHBondContact O-N 3.02Å; T771-N800 PolarHBondContact OG1-O 2.63Å
772	P	87.2	Confident	83.8	Confident	53 Å²	53	41 Å²	41	34%	0.344	26%	0.259	S	S	.	.	S	Bend	cis	-66.5	147.9	-14.7	31.2	-37.3	0	0	0	112.3	S774 F775 L799	P772-S774 VanDerWaalsContact C-N 3.27Å; P772-S774 PolarHBondContact O-N 3.45Å; P772-F775 HydrophobicContact CG-CB 4.48Å; P772-L799 HydrophobicContact CG-CD2 4.45Å
773	G	85.1	Confident	83.1	Confident	41 Å²	41	43.2 Å²	43.2	42%	0.423	28%	0.278	S	S	.	.	S	Bend	trans	-71.1	-18.9	177.1	0	0	0	0	0	114.2	F957 E958	G773-F957 WeakPolarHBondContact O-CA 3.44Å; G773-F957 WeakPolarHBondContact O-CB 3.48Å; G773-E958 PolarHBondContact O-N 2.99Å; G773-E958 VanDerWaalsContact O-N 3.09Å
774	S	88.8	Confident	82.5	Confident	65 Å²	65	46.5 Å²	46.5	46%	0.455	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	155.1	164.4	61.4	0	0	0	0	111.4	P772 E958	P772-S774 VanDerWaalsContact C-N 3.27Å; P772-S774 PolarHBondContact O-N 3.45Å; S774-E958 CarbonylContact C-O 3.32Å; S774-E958 WeakPolarHBondContact CA-O 3.37Å; S774-E958 WeakPolarHBondContact CB-O 3.47Å
775	F	89	Confident	82.1	Confident	15 Å²	15	52.8 Å²	52.8	7%	0.066	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.9	176	69.8	-82	0	0	0	110.1	P772 Y777 Q797 L915 T917 L920 F957 E958 A959 L960	P772-F775 HydrophobicContact CG-CB 4.48Å; F775-Y777 HydrophobicContact CE2-CD1 4.41Å; F775-Q797 HydrophobicContact CB-CG 4.34Å; F775-Q797 HydrophobicContact CD1-CG 3.87Å; F775-Q797 HydrophobicContact CD2-CB 4.16Å; F775-Q797 HydrophobicContact CD2-CG 3.72Å; F775-Q797 HydrophobicContact CE1-CG 4.03Å; F775-Q797 HydrophobicContact CE2-CB 3.94Å; F775-Q797 HydrophobicContact CE2-CG 3.89Å; F775-Q797 HydrophobicContact CG-CG 3.71Å; F775-Q797 HydrophobicContact CZ-CB 4.22Å; F775-Q797 HydrophobicContact CZ-CG 4.04Å; F775-L915 HydrophobicContact CE1-CD2 3.94Å; F775-L915 HydrophobicContact CZ-CD2 3.63Å; F775-L915 HydrophobicContact CZ-CG 4.48Å; F775-T917 HydrophobicContact CE2-CG2 4.12Å; F775-L920 HydrophobicContact CE2-CD1 4.39Å; F775-L920 HydrophobicContact CZ-CD1 4.03Å; F775-F957 HydrophobicContact CE1-CD2 4.46Å; F775-E958 PolarHBondContact N-O 3.04Å; F775-A959 HydrophobicContact CD1-CB 4.42Å; F775-A959 HydrophobicContact CE1-CB 3.66Å; F775-A959 HydrophobicContact CE2-CB 3.95Å; F775-A959 HydrophobicContact CZ-CB 3.38Å; F775-A959 CarbonylContact O-C 3.5Å; F775-A959 WeakPolarHBondContact O-CA 3.48Å; F775-L960 PolarHBondContact O-N 3.31Å
776	S	84.5	Confident	81.9	Confident	58 Å²	58	53.1 Å²	53.1	41%	0.406	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	145.9	175.8	52.2	0	0	0	0	111.7	I781 F786 L960	S776-I781 VanDerWaalsContact C-CD1 3.44Å; S776-I781 WeakPolarHBondContact OG-CD1 3.08Å; S776-F786 WeakPolarHBondContact O-CZ 3.24Å; S776-L960 CarbonylContact C-O 3.15Å; S776-L960 VanDerWaalsContact CA-O 3.22Å; S776-L960 WeakPolarHBondContact CA-O 3.45Å
777	Y	84.5	Confident	81.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	143.8	-179.4	77.9	-80.3	0	0	0	112	F775 L920 K921 I928 A959 L960 H961 S962	F775-Y777 HydrophobicContact CE2-CD1 4.41Å; Y777-L920 HydrophobicContact CD1-CD1 4.41Å; Y777-L920 HydrophobicContact CD2-CB 3.82Å; Y777-L920 HydrophobicContact CE1-CB 4.33Å; Y777-L920 HydrophobicContact CE1-CD1 4.45Å; Y777-L920 VanDerWaalsContact CE2-C 3.49Å; Y777-L920 HydrophobicContact CE2-CB 3.39Å; Y777-L920 WeakPolarHBondContact CE2-O 3.44Å; Y777-L920 HydrophobicContact CG-CB 4.47Å; Y777-L920 HydrophobicContact CG-CD1 4.46Å; Y777-L920 PolarHBondContact OH-O 3.21Å; Y777-K921 HydrophobicContact CD2-CG 4.26Å; Y777-K921 HydrophobicContact CE2-CG 4.41Å; Y777-I928 WeakPolarHBondContact OH-CD1 3.36Å; Y777-A959 HydrophobicContact CD1-CB 3.77Å; Y777-A959 HydrophobicContact CE1-CB 3.72Å; Y777-L960 WeakPolarHBondContact CD1-O 3.5Å; Y777-L960 PolarHBondContact N-O 3.12Å; Y777-H961 AromaticContact CD2-ND1 3.86Å; Y777-H961 HydrophobicContact CE1-CB 3.85Å; Y777-H961 HydrophobicContact CE2-CB 4.37Å; Y777-H961 AromaticContact CE2-ND1 3.36Å; Y777-H961 WeakPolarHBondContact CE2-ND1 3.47Å; Y777-H961 AromaticContact CZ-CG 3.82Å; Y777-H961 AromaticContact CZ-ND1 3.64Å; Y777-H961 CarbonylContact O-C 3.53Å; Y777-H961 WeakPolarHBondContact O-CA 3.49Å; Y777-H961 PolarHBondContact O-ND1 3.27Å; Y777-H961 VanDerWaalsContact O-ND1 3.17Å; Y777-S962 PolarHBondContact O-N 3.01Å
778	G	77.4	Confident	81.1	Confident	5 Å²	5	58.7 Å²	58.7	5%	0.052	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-172.5	-176.8	0	0	0	0	0	112.7	S962	G778-S962 WeakPolarHBondContact CA-O 3.22Å
779	N	70.8	Confident	80.5	Confident	116 Å²	116	60 Å²	60	62%	0.62	36%	0.357	S	S	*	.	S	Bend	trans	-91.9	-10.6	174.2	-68.8	-4.4	0	0	0	112.8	I781 K921	N779-I781 VanDerWaalsContact C-N 3.34Å; N779-K921 WeakPolarHBondContact OD1-CE 3.22Å; N779-K921 PolarHBondContact OD1-NZ 3.14Å
780	S	68.3	Low	79.5	Confident	49 Å²	49	64.3 Å²	64.3	34%	0.343	37%	0.371	S	S	.	.	S	Bend	trans	-85.3	-2.1	176	48	0	0	0	0	114	S962	S780-S962 VanDerWaalsContact OG-CB 3.24Å; S780-S962 WeakPolarHBondContact OG-CB 3.43Å; S780-S962 PolarHBondContact OG-O 3.13Å; S780-S962 VanDerWaalsContact OG-O 3.13Å; S780-S962 PolarHBondContact OG-OG 2.93Å
781	I	75.3	Confident	78.2	Confident	35 Å²	35	72.1 Å²	72.1	18%	0.179	41%	0.412	C	S	.	.	S	Bend	trans	-110.6	133.7	-175.4	-62.4	174	0	0	0	107.7	S776 N779 H785 F786	S776-I781 VanDerWaalsContact C-CD1 3.44Å; S776-I781 WeakPolarHBondContact OG-CD1 3.08Å; N779-I781 VanDerWaalsContact C-N 3.34Å; I781-H785 HydrophobicContact CG2-CB 4.29Å; I781-F786 HydrophobicContact CB-CE2 4.49Å; I781-F786 HydrophobicContact CG2-CE2 3.9Å; I781-F786 HydrophobicContact CG2-CZ 4.21Å
782	D	72.8	Confident	77.5	Confident	105 Å²	105	71.5 Å²	71.5	56%	0.561	41%	0.405	S	S	*	.			trans	-64.4	138.8	179.7	-175.5	20.8	0	0	0	111.3	S784 H785	D782-S784 PolarHBondContact O-N 3.41Å; D782-S784 WeakPolarHBondContact OD2-CB 3.44Å; D782-S784 PolarHBondContact OD2-OG 3.45Å; D782-H785 PolarHBondContact O-N 3.27Å
783	A	68.9	Low	77	Confident	49 Å²	49	77.1 Å²	77.1	41%	0.405	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-62.8	-23	-178.6	0	0	0	0	0	112.3	H785 F786	A783-H785 PolarHBondContact O-N 2.7Å; A783-H785 VanDerWaalsContact O-N 3.11Å; A783-F786 PolarHBondContact O-N 2.99Å
784	S	72.5	Confident	76.8	Confident	88 Å²	88	75.1 Å²	75.1	62%	0.615	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-58	-19.5	174.6	67	0	0	0	0	114.8	D782 F786	D782-S784 PolarHBondContact O-N 3.41Å; D782-S784 WeakPolarHBondContact OD2-CB 3.44Å; D782-S784 PolarHBondContact OD2-OG 3.45Å; S784-F786 VanDerWaalsContact C-N 3.31Å
785	H	76	Confident	76.6	Confident	138 Å²	138	73.3 Å²	73.3	64%	0.639	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-79.2	-10.6	174.4	-78.3	-103	0	0	0	113.9	I781 D782 A783	I781-H785 HydrophobicContact CG2-CB 4.29Å; D782-H785 PolarHBondContact O-N 3.27Å; A783-H785 PolarHBondContact O-N 2.7Å; A783-H785 VanDerWaalsContact O-N 3.11Å
786	F	80.7	Confident	76.5	Confident	21 Å²	21	72.6 Å²	72.6	9%	0.092	39%	0.386	C	S	.	.	S	Bend	trans	-115.1	153.5	-179.3	-57.7	-68.9	0	0	0	111.3	S776 I781 A783 S784 N795 Q797 T917	S776-F786 WeakPolarHBondContact O-CZ 3.24Å; I781-F786 HydrophobicContact CB-CE2 4.49Å; I781-F786 HydrophobicContact CG2-CE2 3.9Å; I781-F786 HydrophobicContact CG2-CZ 4.21Å; A783-F786 PolarHBondContact O-N 2.99Å; S784-F786 VanDerWaalsContact C-N 3.31Å; F786-N795 HydrophobicContact CB-CB 3.76Å; F786-N795 HydrophobicContact CD2-CB 4.09Å; F786-N795 HydrophobicContact CG-CB 3.96Å; F786-Q797 HydrophobicContact CD1-CB 4.41Å; F786-T917 HydrophobicContact CD1-CG2 4.03Å; F786-T917 HydrophobicContact CE1-CG2 3.89Å
787	I	81.3	Confident	76.7	Confident	76 Å²	76	70.9 Å²	70.9	39%	0.39	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	124.5	171.4	-63.2	176.6	0	0	0	107.8	F796 P798 L914	I787-F796 PolarHBondContact N-O 2.9Å; I787-F796 WeakPolarHBondContact O-CB 3.46Å; I787-F796 WeakPolarHBondContact O-CD2 3.3Å; I787-F796 PolarHBondContact O-N 2.89Å; I787-P798 HydrophobicContact CD1-CB 3.92Å; I787-P798 HydrophobicContact CD1-CG 3.8Å; I787-P798 HydrophobicContact CG1-CG 4.35Å; I787-L914 HydrophobicContact CB-CD2 4.32Å; I787-L914 HydrophobicContact CD1-CD2 4.03Å; I787-L914 HydrophobicContact CG2-CD2 4.49Å
788	Q	78.9	Confident	76.9	Confident	117 Å²	117	73 Å²	73	55%	0.547	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.8	167.1	-171.8	177.3	-10.9	0	0	108.1	M792	Q788-M792 WeakPolarHBondContact CG-O 3.32Å; Q788-M792 PolarHBondContact NE2-O 3Å
789	L	77.3	Confident	77.6	Confident	48 Å²	48	72.8 Å²	72.8	25%	0.251	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-75.9	146.6	174.1	-65.4	174.3	0	0	0	110.2	M792 F796 L914	L789-M792 HydrophobicContact CB-CB 4.23Å; L789-M792 HydrophobicContact CB-CG 4.24Å; L789-M792 HydrophobicContact CB-SD 4.04Å; L789-M792 HydrophobicContact CD1-SD 4.01Å; L789-M792 WeakPolarHBondContact O-CB 3.49Å; L789-M792 PolarHBondContact O-N 2.98Å; L789-M792 VanDerWaalsContact O-N 3.1Å; L789-F796 HydrophobicContact CB-CE2 4.36Å; L789-F796 HydrophobicContact CD1-CD2 4.25Å; L789-F796 HydrophobicContact CD1-CE2 3.8Å; L789-F796 HydrophobicContact CD1-CZ 4.04Å; L789-F796 HydrophobicContact CG-CD2 4.13Å; L789-F796 HydrophobicContact CG-CE2 3.99Å; L789-L914 HydrophobicContact CD1-CD1 4.2Å; L789-L914 HydrophobicContact CD2-CD1 4Å; L789-L914 HydrophobicContact CG-CD1 4.35Å
790	E	70.2	Confident	78.5	Confident	184 Å²	184	70.7 Å²	70.7	86%	0.86	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	144.7	177.3	-63.1	-174.8	145.5	0	0	111.3	M792	E790-M792 PolarHBondContact O-N 3.11Å
791	D	63.6	Low	79.6	Confident	180 Å²	180	68.3 Å²	68.3	96%	0.963	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	3.6	-169.9	-68.6	-33.4	0	0	0	117.3
792	M	75.5	Confident	80.4	Confident	59 Å²	59	68.9 Å²	68.9	29%	0.291	36%	0.36	S	S	.	.			trans	-107.2	152.3	179	-57.7	-168.2	-163.8	0	0	112.5	Q788 L789 E790 P856 C857	Q788-M792 WeakPolarHBondContact CG-O 3.32Å; Q788-M792 PolarHBondContact NE2-O 3Å; L789-M792 HydrophobicContact CB-CB 4.23Å; L789-M792 HydrophobicContact CB-CG 4.24Å; L789-M792 HydrophobicContact CB-SD 4.04Å; L789-M792 HydrophobicContact CD1-SD 4.01Å; L789-M792 WeakPolarHBondContact O-CB 3.49Å; L789-M792 PolarHBondContact O-N 2.98Å; L789-M792 VanDerWaalsContact O-N 3.1Å; E790-M792 PolarHBondContact O-N 3.11Å; M792-P856 HydrophobicContact CE-CG 3.81Å; M792-P856 HydrophobicContact SD-CG 3.85Å; M792-C857 HydrophobicContact CB-CB 3.87Å; M792-C857 HydrophobicContact CG-CB 4Å; M792-C857 HydrophobicContact SD-CB 3.58Å; M792-C857 VanDerWaalsContact SD-CB 3.58Å
793	K	75.5	Confident	81.3	Confident	170 Å²	170	63.9 Å²	63.9	74%	0.739	33%	0.333	S	S	*	.			trans	-107.4	5.7	179.4	-69.5	-176.9	179.8	176.2	0	114.1	I859	K793-I859 HydrophobicContact CB-CD1 3.76Å
794	C	81	Confident	82.3	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.328	C	S	.	.			trans	-91.5	140.4	179.9	-59.7	0	0	0	0	110.6	F796 C857 I859 E918	C794-F796 HydrophobicContact CB-CD2 4.37Å; C794-F796 HydrophobicContact CB-CE2 3.72Å; C794-F796 HydrophobicContact CB-CZ 3.88Å; C794-F796 WeakPolarHBondContact O-CD2 3.08Å; C794-F796 WeakPolarHBondContact O-CE2 3.3Å; C794-C857 HydrophobicContact CB-CB 3.74Å; C794-C857 WeakPolarHBondContact CB-SG 3.42Å; C794-C857 PolarHBondContact N-SG 3.08Å; C794-C857 VanDerWaalsContact SG-C 3.56Å; C794-C857 WeakPolarHBondContact SG-CA 3.48Å; C794-C857 WeakPolarHBondContact SG-CB 3.16Å; C794-C857 CovalentContact SG-SG 2.04Å; C794-C857 PolarHBondContact SG-SG 2.77Å; C794-I859 WeakPolarHBondContact SG-CG1 3.48Å; C794-E918 HydrophobicContact CB-CG 4.37Å
795	N	84.8	Confident	83.1	Confident	26 Å²	26	60.5 Å²	60.5	14%	0.139	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.8	168.8	-66.3	-66.4	0	0	0	109.3	F786 T917 E918	F786-N795 HydrophobicContact CB-CB 3.76Å; F786-N795 HydrophobicContact CD2-CB 4.09Å; F786-N795 HydrophobicContact CG-CB 3.96Å; N795-T917 PolarHBondContact O-N 3.34Å; N795-T917 PolarHBondContact O-OG1 2.77Å; N795-E918 PolarHBondContact ND2-OE1 3.2Å
796	F	85.9	Confident	83.7	Confident	1 Å²	1	55.1 Å²	55.1	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.9	178.6	-62	-93	0	0	0	111.7	I787 L789 C794 P856 C857 L914 L915 N916	I787-F796 PolarHBondContact N-O 2.9Å; I787-F796 WeakPolarHBondContact O-CB 3.46Å; I787-F796 WeakPolarHBondContact O-CD2 3.3Å; I787-F796 PolarHBondContact O-N 2.89Å; L789-F796 HydrophobicContact CB-CE2 4.36Å; L789-F796 HydrophobicContact CD1-CD2 4.25Å; L789-F796 HydrophobicContact CD1-CE2 3.8Å; L789-F796 HydrophobicContact CD1-CZ 4.04Å; L789-F796 HydrophobicContact CG-CD2 4.13Å; L789-F796 HydrophobicContact CG-CE2 3.99Å; C794-F796 HydrophobicContact CB-CD2 4.37Å; C794-F796 HydrophobicContact CB-CE2 3.72Å; C794-F796 HydrophobicContact CB-CZ 3.88Å; C794-F796 WeakPolarHBondContact O-CD2 3.08Å; C794-F796 WeakPolarHBondContact O-CE2 3.3Å; F796-P856 HydrophobicContact CE1-CB 4.35Å; F796-P856 WeakPolarHBondContact CE1-O 3.4Å; F796-P856 HydrophobicContact CZ-CB 4.27Å; F796-C857 HydrophobicContact CZ-CB 4.1Å; F796-L914 HydrophobicContact CB-CB 4.01Å; F796-L914 HydrophobicContact CB-CD2 3.94Å; F796-L914 HydrophobicContact CB-CG 4.4Å; F796-L914 HydrophobicContact CD1-CB 3.93Å; F796-L914 HydrophobicContact CG-CB 4.23Å; F796-L915 CarbonylContact C-O 3.51Å; F796-L915 WeakPolarHBondContact CA-O 3.25Å; F796-N916 HydrophobicContact CD1-CB 3.92Å; F796-N916 HydrophobicContact CE1-CB 3.75Å
797	Q	89.8	Confident	84	Confident	21 Å²	21	54.1 Å²	54.1	10%	0.098	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	120.3	168.6	175.3	61.6	49.7	0	0	109.5	F775 F786 L799 L915 T917	F775-Q797 HydrophobicContact CB-CG 4.34Å; F775-Q797 HydrophobicContact CD1-CG 3.87Å; F775-Q797 HydrophobicContact CD2-CB 4.16Å; F775-Q797 HydrophobicContact CD2-CG 3.72Å; F775-Q797 HydrophobicContact CE1-CG 4.03Å; F775-Q797 HydrophobicContact CE2-CB 3.94Å; F775-Q797 HydrophobicContact CE2-CG 3.89Å; F775-Q797 HydrophobicContact CG-CG 3.71Å; F775-Q797 HydrophobicContact CZ-CB 4.22Å; F775-Q797 HydrophobicContact CZ-CG 4.04Å; F786-Q797 HydrophobicContact CD1-CB 4.41Å; Q797-L799 HydrophobicContact CG-CG 4.37Å; Q797-L915 HydrophobicContact CB-CB 4.36Å; Q797-L915 PolarHBondContact N-O 3.01Å; Q797-L915 PolarHBondContact O-N 3.08Å; Q797-T917 HydrophobicContact CB-CG2 3.87Å
798	P	89.6	Confident	84.1	Confident	45 Å²	45	54.6 Å²	54.6	29%	0.292	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	138.5	168.2	27.9	-33.9	0	0	0	111.5	I787 L913 L914	I787-P798 HydrophobicContact CD1-CB 3.92Å; I787-P798 HydrophobicContact CD1-CG 3.8Å; I787-P798 HydrophobicContact CG1-CG 4.35Å; P798-L913 WeakPolarHBondContact CA-O 3.45Å; P798-L914 HydrophobicContact CB-CD2 4.24Å
799	L	90.3	Very high	84.1	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	122.7	175.7	-71.6	161.5	0	0	0	108.8	T771 P772 Q797 L801 F834 L913 L915 F957	T771-L799 WeakPolarHBondContact O-CA 3.37Å; P772-L799 HydrophobicContact CG-CD2 4.45Å; Q797-L799 HydrophobicContact CG-CG 4.37Å; L799-L801 HydrophobicContact CB-CD1 4.24Å; L799-F834 HydrophobicContact CD1-CE1 3.83Å; L799-L913 HydrophobicContact CB-CB 4.37Å; L799-L913 PolarHBondContact N-O 3.37Å; L799-L913 PolarHBondContact O-N 2.9Å; L799-L915 HydrophobicContact CD1-CB 3.88Å; L799-L915 HydrophobicContact CD1-CD2 3.8Å; L799-F957 HydrophobicContact CD1-CD2 4.26Å; L799-F957 HydrophobicContact CD1-CE2 3.54Å; L799-F957 HydrophobicContact CD1-CZ 3.74Å; L799-F957 HydrophobicContact CD2-CD2 4.07Å; L799-F957 HydrophobicContact CD2-CE2 4.18Å
800	N	91.3	Very high	84	Confident	72 Å²	72	49.8 Å²	49.8	39%	0.385	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125	173.9	-61.9	-18.8	0	0	0	108.9	V770 T771 L911	V770-N800 WeakPolarHBondContact CA-O 3.38Å; T771-N800 PolarHBondContact N-O 2.97Å; T771-N800 PolarHBondContact O-N 3.02Å; T771-N800 PolarHBondContact OG1-O 2.63Å; N800-L911 WeakPolarHBondContact CA-O 3.4Å
801	L	91.4	Very high	84.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.6	174.3	-68.4	75.7	0	0	0	108.6	V769 V770 L799 F803 L911 L913 T932	V769-L801 WeakPolarHBondContact O-CA 3.02Å; V770-L801 HydrophobicContact CB-CG 4.09Å; V770-L801 HydrophobicContact CG2-CD1 4Å; V770-L801 HydrophobicContact CG2-CG 3.84Å; L799-L801 HydrophobicContact CB-CD1 4.24Å; L801-F803 HydrophobicContact CB-CE2 4.06Å; L801-F803 HydrophobicContact CD2-CE2 4.29Å; L801-L911 HydrophobicContact CB-CB 4.38Å; L801-L911 PolarHBondContact N-O 3.38Å; L801-L911 PolarHBondContact O-N 3.34Å; L801-L913 HydrophobicContact CD1-CD1 3.73Å; L801-L913 HydrophobicContact CD1-CG 4.27Å; L801-T932 HydrophobicContact CD2-CG2 3.84Å
802	T	91.6	Very high	85.5	Confident	47 Å²	47	39.2 Å²	39.2	29%	0.288	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.1	175.4	-55.9	0	0	0	0	108.5	G768 V769 I909 D910	G768-T802 CarbonylContact C-O 3.59Å; G768-T802 WeakPolarHBondContact CA-O 2.98Å; V769-T802 PolarHBondContact N-O 2.88Å; V769-T802 PolarHBondContact O-N 3.35Å; T802-I909 CarbonylContact C-O 3.56Å; T802-I909 WeakPolarHBondContact CA-O 3.48Å; T802-D910 VanDerWaalsContact CB-OD1 3.32Å; T802-D910 WeakPolarHBondContact CB-OD1 3.29Å; T802-D910 VanDerWaalsContact CG2-OD1 3.23Å; T802-D910 WeakPolarHBondContact CG2-OD1 2.98Å; T802-D910 PolarHBondContact OG1-OD1 3.07Å
803	F	91.4	Very high	85.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	151.7	169	-65.6	-99	0	0	0	109.5	I766 T767 L801 I820 N908 I909 L911 T932 I953 L955	I766-F803 HydrophobicContact CD1-CD1 4.13Å; T767-F803 CarbonylContact O-C 3.54Å; T767-F803 WeakPolarHBondContact O-CA 3.31Å; L801-F803 HydrophobicContact CB-CE2 4.06Å; L801-F803 HydrophobicContact CD2-CE2 4.29Å; F803-I820 HydrophobicContact CD2-CD1 3.61Å; F803-I820 HydrophobicContact CD2-CG1 4.32Å; F803-I820 HydrophobicContact CE2-CD1 3.83Å; F803-I820 HydrophobicContact CE2-CG1 4.21Å; F803-I820 HydrophobicContact CE2-CG2 3.75Å; F803-I820 HydrophobicContact CG-CD1 4.09Å; F803-I820 HydrophobicContact CZ-CD1 4.46Å; F803-I820 HydrophobicContact CZ-CG1 4.37Å; F803-I820 HydrophobicContact CZ-CG2 3.77Å; F803-N908 CarbonylContact O-C 3.55Å; F803-N908 VanDerWaalsContact O-CA 3.31Å; F803-N908 WeakPolarHBondContact O-CA 3.35Å; F803-I909 HydrophobicContact CB-CB 4.38Å; F803-I909 PolarHBondContact N-O 3.48Å; F803-I909 PolarHBondContact O-N 3.25Å; F803-L911 HydrophobicContact CE2-CD1 4.31Å; F803-T932 HydrophobicContact CZ-CG2 4.05Å; F803-I953 HydrophobicContact CD1-CG2 4.08Å; F803-I953 HydrophobicContact CE1-CG2 4.04Å; F803-L955 HydrophobicContact CD1-CD1 4.31Å; F803-L955 HydrophobicContact CE1-CD1 3.67Å; F803-L955 HydrophobicContact CE1-CG 3.97Å; F803-L955 HydrophobicContact CE2-CD1 3.93Å; F803-L955 HydrophobicContact CZ-CD1 3.45Å; F803-L955 VanDerWaalsContact CZ-CD1 3.45Å; F803-L955 HydrophobicContact CZ-CG 4.04Å
804	Q	90.4	Very high	86.2	Confident	64 Å²	64	30.3 Å²	30.3	30%	0.299	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	118.9	178.7	173.6	174.5	96.7	0	0	109.9	I766 T767 I806 A906 L907 N908	I766-Q804 WeakPolarHBondContact CA-O 3.39Å; T767-Q804 PolarHBondContact N-O 3.39Å; T767-Q804 PolarHBondContact O-N 2.82Å; T767-Q804 PolarHBondContact OG1-O 3.25Å; Q804-I806 HydrophobicContact CG-CD1 4.31Å; Q804-I806 HydrophobicContact CG-CG1 4.01Å; Q804-A906 HydrophobicContact CG-CB 3.84Å; Q804-L907 WeakPolarHBondContact CA-O 3.42Å; Q804-N908 WeakPolarHBondContact CG-OD1 3.5Å; Q804-N908 PolarHBondContact NE2-OD1 2.81Å
805	A	89.6	Confident	86.3	Confident	2 Å²	2	30.8 Å²	30.8	2%	0.017	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131.7	177.9	0	0	0	0	0	110.6	T765 V818 L898 Q901 A906 L907 V936	T765-A805 CarbonylContact O-C 3.34Å; T765-A805 WeakPolarHBondContact O-CA 3.29Å; A805-V818 HydrophobicContact CB-CG2 4.29Å; A805-L898 HydrophobicContact CB-CD1 3.77Å; A805-Q901 PolarHBondContact O-NE2 3.3Å; A805-A906 WeakPolarHBondContact O-CA 3.42Å; A805-L907 PolarHBondContact N-O 3.21Å; A805-L907 PolarHBondContact O-N 2.84Å; A805-V936 HydrophobicContact CB-CG2 4.4Å
806	I	88.3	Confident	86.5	Confident	24 Å²	24	29.8 Å²	29.8	12%	0.123	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	130	-170	-40.9	-179.5	0	0	0	110.5	T764 T765 Q804 K808 A906	T764-I806 WeakPolarHBondContact CA-O 3.21Å; T765-I806 PolarHBondContact N-O 3.28Å; T765-I806 PolarHBondContact O-N 3.34Å; T765-I806 PolarHBondContact OG1-O 2.72Å; Q804-I806 HydrophobicContact CG-CD1 4.31Å; Q804-I806 HydrophobicContact CG-CG1 4.01Å; I806-K808 HydrophobicContact CG2-CD 4.22Å; I806-A906 HydrophobicContact CB-CB 4.47Å; I806-A906 HydrophobicContact CD1-CB 4.31Å; I806-A906 HydrophobicContact CG1-CB 3.82Å; I806-A906 HydrophobicContact CG2-CB 4.3Å
807	N	87.1	Confident	86.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.3	171.6	174.9	29.9	0	0	0	110.7	G809 S811 L813 Q901 L902 D904 E905	N807-G809 PolarHBondContact OD1-N 2.75Å; N807-S811 PolarHBondContact ND2-O 2.94Å; N807-L813 HydrophobicContact CB-CB 4.34Å; N807-L813 HydrophobicContact CB-CD2 4.35Å; N807-Q901 HydrophobicContact CB-CB 4.13Å; N807-L902 PolarHBondContact ND2-O 3.37Å; N807-D904 VanDerWaalsContact O-CA 3.24Å; N807-D904 WeakPolarHBondContact O-CA 3.28Å; N807-D904 PolarHBondContact O-N 2.95Å; N807-E905 PolarHBondContact N-O 3.08Å
808	K	82.5	Confident	86.6	Confident	86 Å²	86	31.2 Å²	31.2	37%	0.374	17%	0.165	S	C	.	.			trans	-98.3	-5.5	174.9	-67.3	-50.2	-164.9	-171.8	0	114.3	D763 I806 D904	D763-K808 HydrophobicContact CB-CB 4.37Å; D763-K808 PolarHBondContact O-N 3.02Å; I806-K808 HydrophobicContact CG2-CD 4.22Å; K808-D904 VanDerWaalsContact CD-OD1 3.25Å; K808-D904 WeakPolarHBondContact CD-OD1 3.41Å; K808-D904 IonicContact NZ-OD1 2.69Å; K808-D904 PolarHBondContact NZ-OD1 2.95Å
809	G	78.6	Confident	86.6	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.01	16%	0.158	C	C	.	.	S	Bend	trans	-67.5	165.8	-175.8	0	0	0	0	0	114.7	N807 K903	N807-G809 PolarHBondContact OD1-N 2.75Å; G809-K903 WeakPolarHBondContact O-CD 3.49Å; G809-K903 WeakPolarHBondContact O-CG 3.38Å
810	P	76.3	Confident	86.6	Confident	63 Å²	63	30.4 Å²	30.4	41%	0.409	16%	0.158	S	C	.	.	S	Bend	trans	-68.7	-32.8	173.9	28.7	-35.4	0	0	0	113	A646 E761	A646-P810 HydrophobicContact CB-CB 4.19Å; A646-P810 HydrophobicContact CB-CG 4.46Å; E761-P810 HydrophobicContact CB-CG 4.23Å; E761-P810 VanDerWaalsContact O-CD 3.28Å; E761-P810 WeakPolarHBondContact O-CD 3.33Å
811	S	81.6	Confident	86.5	Confident	3 Å²	3	30.2 Å²	30.2	2%	0.021	15%	0.152	C	C	.	.	S	Bend	trans	-91.1	156.8	-179.3	-53.8	0	0	0	0	112.7	L644 E761 N807	L644-S811 WeakPolarHBondContact O-CB 3.49Å; L644-S811 PolarHBondContact O-OG 2.79Å; E761-S811 PolarHBondContact N-OG 3.38Å; E761-S811 VanDerWaalsContact O-CB 3.26Å; E761-S811 WeakPolarHBondContact O-CB 3.19Å; E761-S811 PolarHBondContact O-N 2.83Å; E761-S811 VanDerWaalsContact O-N 3.08Å; E761-S811 PolarHBondContact O-OG 3.3Å; N807-S811 PolarHBondContact ND2-O 2.94Å
812	R	82.8	Confident	86.5	Confident	139 Å²	139	30.2 Å²	30.2	53%	0.525	15%	0.153	S	C	.	.	P	Polyproline II helix	trans	-63	131	162.9	-179.8	-177.8	-174.7	-161.1	2.4	109.4	H760 Q901 L902	H760-R812 PolarHBondContact ND1-O 3.07Å; R812-Q901 WeakPolarHBondContact CG-O 3.45Å; R812-L902 HydrophobicContact CG-CD2 4.16Å
813	L	84.4	Confident	86.3	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-81.9	120.6	172.3	175.6	66.7	0	0	0	108.7	T762 T764 N807 G815 P900 Q901 V938 A942	T762-L813 HydrophobicContact CG2-CB 3.89Å; T762-L813 HydrophobicContact CG2-CD1 3.92Å; T764-L813 HydrophobicContact CG2-CD1 4.45Å; T764-L813 HydrophobicContact CG2-CD2 3.75Å; N807-L813 HydrophobicContact CB-CB 4.34Å; N807-L813 HydrophobicContact CB-CD2 4.35Å; L813-G815 VanDerWaalsContact C-N 3.27Å; L813-G815 PolarHBondContact O-N 2.81Å; L813-P900 CarbonylContact O-C 3.59Å; L813-P900 WeakPolarHBondContact O-CA 3.39Å; L813-Q901 HydrophobicContact CB-CB 4.27Å; L813-Q901 HydrophobicContact CD2-CB 4.29Å; L813-Q901 HydrophobicContact CD2-CG 4.43Å; L813-Q901 PolarHBondContact N-O 2.71Å; L813-Q901 PolarHBondContact O-N 3.44Å; L813-V938 HydrophobicContact CD1-CB 4.48Å; L813-V938 HydrophobicContact CD1-CG1 3.84Å; L813-V938 HydrophobicContact CD1-CG2 3.97Å; L813-A942 HydrophobicContact CD1-CB 4.46Å
814	P	80.9	Confident	86.1	Confident	43 Å²	43	28.4 Å²	28.4	28%	0.279	14%	0.141	S	C	.	.			trans	-71.4	-19.2	-178.2	26.4	-34.1	0	0	0	114	P900 R941	P814-P900 WeakPolarHBondContact O-CB 3.34Å; P814-R941 HydrophobicContact CG-CB 4.49Å
815	G	84.1	Confident	85.8	Confident	9 Å²	9	29 Å²	29	9%	0.093	14%	0.14	C	C	.	.			trans	162.5	160.1	174.9	0	0	0	0	0	111.6	L813 N939	L813-G815 VanDerWaalsContact C-N 3.27Å; L813-G815 PolarHBondContact O-N 2.81Å; G815-N939 WeakPolarHBondContact O-CB 3.41Å
816	S	87.8	Confident	85.4	Confident	6 Å²	6	29.5 Å²	29.5	4%	0.042	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	168.7	-177.8	54.3	0	0	0	0	111.2	L898 Q901 Q937	S816-L898 PolarHBondContact N-O 2.76Å; S816-L898 PolarHBondContact O-N 2.98Å; S816-Q901 PolarHBondContact OG-OE1 2.9Å; S816-Q937 CarbonylContact C-O 3.45Å; S816-Q937 WeakPolarHBondContact CA-O 3.08Å; S816-Q937 WeakPolarHBondContact CB-O 3.05Å
817	T	89.1	Confident	84.7	Confident	51 Å²	51	31 Å²	31	31%	0.313	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.9	173.4	-59.8	0	0	0	0	109.5	C896 V936 Q937	T817-C896 CarbonylContact C-O 3.54Å; T817-C896 WeakPolarHBondContact CA-O 3.42Å; T817-V936 CarbonylContact O-C 3.53Å; T817-Q937 PolarHBondContact N-O 2.86Å; T817-Q937 PolarHBondContact O-N 3.16Å
818	V	89.8	Confident	83.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.4	177.5	-174.1	0	0	0	0	109.5	I766 A805 I820 S895 C896 L898 I909 S935 V936	I766-V818 HydrophobicContact CD1-CG1 3.65Å; A805-V818 HydrophobicContact CB-CG2 4.29Å; V818-I820 HydrophobicContact CG1-CG1 4.16Å; V818-S895 CarbonylContact O-C 3.48Å; V818-S895 WeakPolarHBondContact O-CA 3.45Å; V818-C896 PolarHBondContact N-O 2.98Å; V818-C896 PolarHBondContact O-N 3.42Å; V818-L898 HydrophobicContact CG2-CD1 3.66Å; V818-L898 HydrophobicContact CG2-CG 4.23Å; V818-I909 HydrophobicContact CB-CD1 3.71Å; V818-I909 HydrophobicContact CG1-CD1 3.98Å; V818-I909 HydrophobicContact CG2-CD1 3.82Å; V818-S935 WeakPolarHBondContact CA-O 3.46Å; V818-V936 HydrophobicContact CG2-CG2 4.28Å
819	D	89.8	Confident	83.1	Confident	28 Å²	28	36.6 Å²	36.6	15%	0.15	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.2	177.1	-96.9	0.7	0	0	0	110.3	R821 S895 G934 S935	D819-R821 VanDerWaalsContact CB-NH2 3.33Å; D819-R821 IonicContact OD2-NH2 3.45Å; D819-R821 PolarHBondContact OD2-NH2 2.92Å; D819-S895 WeakPolarHBondContact OD1-CB 3.49Å; D819-S895 PolarHBondContact OD1-OG 3.41Å; D819-G934 CarbonylContact O-C 3.51Å; D819-G934 VanDerWaalsContact O-CA 3.29Å; D819-G934 WeakPolarHBondContact O-CA 3.26Å; D819-S935 WeakPolarHBondContact CB-OG 3.5Å; D819-S935 PolarHBondContact N-O 3.26Å; D819-S935 PolarHBondContact O-N 2.94Å
820	I	90.4	Very high	82.9	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124	-179.8	-58.2	168.4	0	0	0	109.6	F803 V818 I822 V893 I894 I909 L911 T932 R933	F803-I820 HydrophobicContact CD2-CD1 3.61Å; F803-I820 HydrophobicContact CD2-CG1 4.32Å; F803-I820 HydrophobicContact CE2-CD1 3.83Å; F803-I820 HydrophobicContact CE2-CG1 4.21Å; F803-I820 HydrophobicContact CE2-CG2 3.75Å; F803-I820 HydrophobicContact CG-CD1 4.09Å; F803-I820 HydrophobicContact CZ-CD1 4.46Å; F803-I820 HydrophobicContact CZ-CG1 4.37Å; F803-I820 HydrophobicContact CZ-CG2 3.77Å; V818-I820 HydrophobicContact CG1-CG1 4.16Å; I820-I822 HydrophobicContact CG2-CD1 4.26Å; I820-I822 HydrophobicContact CG2-CG1 4.3Å; I820-V893 CarbonylContact O-C 3.6Å; I820-V893 WeakPolarHBondContact O-CA 3.23Å; I820-I894 PolarHBondContact N-O 2.82Å; I820-I894 PolarHBondContact O-N 3.28Å; I820-I909 HydrophobicContact CD1-CG2 4.17Å; I820-L911 HydrophobicContact CD1-CD1 3.82Å; I820-L911 HydrophobicContact CG2-CD1 4Å; I820-T932 HydrophobicContact CG2-CG2 3.94Å; I820-R933 CarbonylContact C-O 3.57Å; I820-R933 WeakPolarHBondContact CA-O 3.44Å
821	R	89.8	Confident	83.1	Confident	68 Å²	68	36.7 Å²	36.7	26%	0.257	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.8	-170.7	-50.6	-174	-173.9	100	16.5	110.7	D819 C884 V893 T932 R933 S935	D819-R821 VanDerWaalsContact CB-NH2 3.33Å; D819-R821 IonicContact OD2-NH2 3.45Å; D819-R821 PolarHBondContact OD2-NH2 2.92Å; R821-C884 HydrophobicContact CB-CB 4.47Å; R821-V893 HydrophobicContact CG-CG1 4.42Å; R821-V893 HydrophobicContact CG-CG2 4.26Å; R821-T932 WeakPolarHBondContact O-CA 3.37Å; R821-R933 PolarHBondContact N-O 3.45Å; R821-R933 PolarHBondContact O-N 2.86Å; R821-S935 PolarHBondContact NH2-OG 3.12Å
822	I	89.6	Confident	83.2	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.6	-171.6	-62.8	157.3	0	0	0	110.4	I820 N824 F834 C891 M892 I894 L913 T932	I820-I822 HydrophobicContact CG2-CD1 4.26Å; I820-I822 HydrophobicContact CG2-CG1 4.3Å; I822-N824 PolarHBondContact O-N 3.01Å; I822-N824 VanDerWaalsContact O-N 3.09Å; I822-F834 HydrophobicContact CG2-CD2 4.05Å; I822-F834 HydrophobicContact CG2-CE2 4.04Å; I822-F834 HydrophobicContact CG2-CG 4.48Å; I822-F834 HydrophobicContact CG2-CZ 4.44Å; I822-C891 CarbonylContact O-C 3.55Å; I822-C891 VanDerWaalsContact O-CA 3.26Å; I822-C891 WeakPolarHBondContact O-CA 3.18Å; I822-C891 WeakPolarHBondContact O-CB 3.37Å; I822-M892 HydrophobicContact CB-CE 4.08Å; I822-M892 HydrophobicContact CD1-CE 3.7Å; I822-M892 HydrophobicContact CG2-CE 4.1Å; I822-M892 PolarHBondContact N-O 3.31Å; I822-M892 PolarHBondContact O-N 2.98Å; I822-I894 HydrophobicContact CD1-CD1 4.09Å; I822-L913 HydrophobicContact CD1-CD1 3.97Å; I822-T932 HydrophobicContact CG1-CG2 3.52Å
823	P	88.7	Confident	83.4	Confident	1 Å²	1	32 Å²	32	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	97.2	-176.5	29.5	-34.8	0	0	0	112.9	M833 F834 L882 C891 F930 V931	P823-M833 VanDerWaalsContact O-CE 3.25Å; P823-M833 WeakPolarHBondContact O-CE 3.42Å; P823-F834 WeakPolarHBondContact O-CE2 3.46Å; P823-L882 HydrophobicContact CB-CB 4.06Å; P823-L882 HydrophobicContact CG-CB 4.07Å; P823-C891 VanDerWaalsContact CA-SG 3.55Å; P823-F930 HydrophobicContact CG-CD1 4.39Å; P823-V931 VanDerWaalsContact CD-O 3.26Å; P823-V931 WeakPolarHBondContact CD-O 3.36Å
824	N	86.9	Confident	83.5	Confident	7 Å²	7	32.1 Å²	32.1	4%	0.037	19%	0.19	C	C	.	.			trans	-83.5	-13.2	-166.6	-155.8	14.8	0	0	0	115.4	I822 D832 M833 F834 A890 M892	I822-N824 PolarHBondContact O-N 3.01Å; I822-N824 VanDerWaalsContact O-N 3.09Å; N824-D832 WeakPolarHBondContact ND2-CB 3.3Å; N824-D832 PolarHBondContact ND2-OD1 3.04Å; N824-M833 WeakPolarHBondContact O-CB 3.1Å; N824-M833 WeakPolarHBondContact O-CG 3.4Å; N824-M833 PolarHBondContact O-N 3.41Å; N824-M833 PolarHBondContact OD1-N 3.09Å; N824-F834 WeakPolarHBondContact OD1-CD2 3.22Å; N824-F834 PolarHBondContact OD1-N 2.83Å; N824-A890 PolarHBondContact N-O 2.53Å; N824-A890 VanDerWaalsContact N-O 3.07Å; N824-M892 HydrophobicContact CB-CB 4.03Å
825	R	84.8	Confident	83.7	Confident	76 Å²	76	32 Å²	32	29%	0.287	19%	0.186	S	C	.	.			trans	-130.5	132.2	-178.6	-56.3	-175.8	179.8	177	-3.7	115.1	A827 G830 D832 A890	R825-A827 VanDerWaalsContact C-N 3.26Å; R825-A827 WeakPolarHBondContact CB-O 3.4Å; R825-A827 PolarHBondContact O-N 3Å; R825-G830 VanDerWaalsContact CD-O 3.32Å; R825-G830 WeakPolarHBondContact CD-O 3.46Å; R825-D832 WeakPolarHBondContact CG-OD1 3.38Å; R825-D832 IonicContact CZ-OD1 3.44Å; R825-D832 IonicContact CZ-OD2 2.91Å; R825-D832 IonicContact NE-OD1 3.84Å; R825-D832 PolarHBondContact NE-OD1 3.24Å; R825-D832 IonicContact NE-OD2 2.97Å; R825-D832 IonicContact NH2-OD1 3.12Å; R825-D832 PolarHBondContact NH2-OD1 2.87Å; R825-D832 IonicContact NH2-OD2 2.58Å; R825-D832 PolarHBondContact NH2-OD2 2.6Å; R825-A890 HydrophobicContact CB-CB 4.18Å; R825-A890 HydrophobicContact CG-CB 4.01Å
826	L	79.7	Confident	83.8	Confident	14 Å²	14	32.1 Å²	32.1	7%	0.073	19%	0.185	C	C	.	.	S	Bend	trans	-63.3	-29.5	176.9	-172.3	64.1	0	0	0	113.4	M833 K880 L882 R889 I919 D923 I928	L826-M833 HydrophobicContact CB-SD 3.77Å; L826-K880 HydrophobicContact CD1-CD 4.24Å; L826-K880 PolarHBondContact O-NZ 2.92Å; L826-L882 HydrophobicContact CD1-CD1 4.32Å; L826-R889 PolarHBondContact O-NH1 2.9Å; L826-I919 WeakPolarHBondContact CD2-O 3.34Å; L826-D923 HydrophobicContact CD2-CB 4.2Å; L826-I928 HydrophobicContact CD1-CD1 4.1Å
827	A	74.2	Confident	83.6	Confident	56 Å²	56	35.9 Å²	35.9	46%	0.463	21%	0.208	S	C	.	.	S	Bend	trans	-147.9	151.6	170.8	0	0	0	0	0	108.8	R825 N829 G830	R825-A827 VanDerWaalsContact C-N 3.26Å; R825-A827 WeakPolarHBondContact CB-O 3.4Å; R825-A827 PolarHBondContact O-N 3Å; A827-N829 VanDerWaalsContact C-N 3.3Å; A827-N829 PolarHBondContact O-N 2.87Å; A827-N829 VanDerWaalsContact O-N 3.13Å; A827-G830 PolarHBondContact O-N 3.08Å
828	G	66.8	Low	83.4	Confident	30 Å²	30	37.6 Å²	37.6	31%	0.309	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-38	-166.9	0	0	0	0	0	115.7
829	N	69.3	Low	83.3	Confident	172 Å²	172	39.6 Å²	39.6	92%	0.92	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	13.2	-179.8	-60.4	6.4	0	0	0	113.2	A827	A827-N829 VanDerWaalsContact C-N 3.3Å; A827-N829 PolarHBondContact O-N 2.87Å; A827-N829 VanDerWaalsContact O-N 3.13Å
830	G	74.7	Confident	83.2	Confident	23 Å²	23	43 Å²	43	24%	0.237	24%	0.239	C	C	.	.	S	Bend	trans	-82.9	174.5	178.2	0	0	0	0	0	113.7	R825 A827	R825-G830 VanDerWaalsContact CD-O 3.32Å; R825-G830 WeakPolarHBondContact CD-O 3.46Å; A827-G830 PolarHBondContact O-N 3.08Å
831	P	79.7	Confident	83.1	Confident	44 Å²	44	43.3 Å²	43.3	29%	0.286	24%	0.241	S	C	.	.			trans	-67.8	156.5	170.3	29.7	-34.7	0	0	0	112	T858 I919	P831-T858 HydrophobicContact CB-CG2 3.87Å; P831-T858 HydrophobicContact CG-CG2 4.11Å; P831-I919 HydrophobicContact CB-CD1 4.02Å; P831-I919 HydrophobicContact CG-CD1 3.79Å; P831-I919 HydrophobicContact CG-CG1 3.96Å; P831-I919 HydrophobicContact CG-CG2 4.12Å
832	D	83.8	Confident	82.7	Confident	42 Å²	42	41.7 Å²	41.7	23%	0.225	24%	0.24	C	C	.	.			trans	-73.2	133.3	173.4	-70.6	-57.2	0	0	0	111	N824 R825 I919	N824-D832 WeakPolarHBondContact ND2-CB 3.3Å; N824-D832 PolarHBondContact ND2-OD1 3.04Å; R825-D832 WeakPolarHBondContact CG-OD1 3.38Å; R825-D832 IonicContact CZ-OD1 3.44Å; R825-D832 IonicContact CZ-OD2 2.91Å; R825-D832 IonicContact NE-OD1 3.84Å; R825-D832 PolarHBondContact NE-OD1 3.24Å; R825-D832 IonicContact NE-OD2 2.97Å; R825-D832 IonicContact NH2-OD1 3.12Å; R825-D832 PolarHBondContact NH2-OD1 2.87Å; R825-D832 IonicContact NH2-OD2 2.58Å; R825-D832 PolarHBondContact NH2-OD2 2.6Å; D832-I919 WeakPolarHBondContact O-CD1 3.42Å
833	M	86.7	Confident	82	Confident	1 Å²	1	47 Å²	47	1%	0.005	27%	0.269	C	S	.	.			trans	-91.3	-30.2	-169.5	-63.2	-174.8	-57.8	0	0	113.6	P823 N824 L826 L882 L915 N916 I919 L920 F930	P823-M833 VanDerWaalsContact O-CE 3.25Å; P823-M833 WeakPolarHBondContact O-CE 3.42Å; N824-M833 WeakPolarHBondContact O-CB 3.1Å; N824-M833 WeakPolarHBondContact O-CG 3.4Å; N824-M833 PolarHBondContact O-N 3.41Å; N824-M833 PolarHBondContact OD1-N 3.09Å; L826-M833 HydrophobicContact CB-SD 3.77Å; M833-L882 HydrophobicContact CE-CD1 4Å; M833-L915 HydrophobicContact CB-CD1 3.75Å; M833-N916 PolarHBondContact O-N 3.48Å; M833-I919 HydrophobicContact CG-CB 4.5Å; M833-I919 HydrophobicContact CG-CG2 3.88Å; M833-I919 HydrophobicContact SD-CG2 4.41Å; M833-L920 HydrophobicContact SD-CD2 3.91Å; M833-F930 HydrophobicContact CE-CE1 3.74Å
834	F	86.6	Confident	81.3	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.009	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144.5	-177.1	-61.1	-88.9	0	0	0	111.8	L799 I822 P823 N824 N853 M892 L913 L914 L915 F930 F957	L799-F834 HydrophobicContact CD1-CE1 3.83Å; I822-F834 HydrophobicContact CG2-CD2 4.05Å; I822-F834 HydrophobicContact CG2-CE2 4.04Å; I822-F834 HydrophobicContact CG2-CG 4.48Å; I822-F834 HydrophobicContact CG2-CZ 4.44Å; P823-F834 WeakPolarHBondContact O-CE2 3.46Å; N824-F834 WeakPolarHBondContact OD1-CD2 3.22Å; N824-F834 PolarHBondContact OD1-N 2.83Å; F834-N853 PolarHBondContact O-ND2 2.9Å; F834-M892 HydrophobicContact CB-CE 4.2Å; F834-L913 HydrophobicContact CD1-CB 4.26Å; F834-L913 HydrophobicContact CD1-CD1 4.12Å; F834-L914 CarbonylContact C-O 3.54Å; F834-L914 WeakPolarHBondContact CA-O 3.4Å; F834-L915 HydrophobicContact CD1-CB 3.95Å; F834-L915 HydrophobicContact CD1-CD1 4.2Å; F834-L915 HydrophobicContact CE1-CB 3.79Å; F834-L915 HydrophobicContact CE1-CD1 3.85Å; F834-L915 HydrophobicContact CE1-CD2 3.88Å; F834-L915 HydrophobicContact CE1-CG 4.05Å; F834-L915 HydrophobicContact CE2-CD1 4.26Å; F834-L915 HydrophobicContact CZ-CD1 3.87Å; F834-L915 HydrophobicContact CZ-CD2 4.05Å; F834-L915 HydrophobicContact CZ-CG 4.4Å; F834-F930 HydrophobicContact CE2-CD1 4.18Å; F834-F930 HydrophobicContact CE2-CE1 4.09Å; F834-F930 AromaticContact CZ-CD1 3.81Å; F834-F930 HydrophobicContact CZ-CD1 3.81Å; F834-F930 AromaticContact CZ-CE1 3.8Å; F834-F930 HydrophobicContact CZ-CE1 3.8Å; F834-F957 HydrophobicContact CE1-CZ 4.03Å; F834-F957 AromaticContact CZ-CZ 3.87Å; F834-F957 HydrophobicContact CZ-CZ 3.87Å
835	H	85.7	Confident	81	Confident	40 Å²	40	54 Å²	54	19%	0.185	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.1	163.9	178	82.1	0	0	0	108.2	P856 L914	H835-P856 HydrophobicContact CB-CB 3.85Å; H835-L914 HydrophobicContact CB-CB 4.43Å; H835-L914 PolarHBondContact N-O 3.18Å; H835-L914 PolarHBondContact O-N 3.13Å
836	V	86.1	Confident	81	Confident	13 Å²	13	51.1 Å²	51.1	8%	0.079	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.5	176.7	-171.4	0	0	0	0	107.9	T839 H851 M892 I894 L913	V836-T839 HydrophobicContact CG1-CG2 3.48Å; V836-T839 VanDerWaalsContact CG1-CG2 3.48Å; V836-H851 HydrophobicContact CG2-CB 4.15Å; V836-M892 HydrophobicContact CG2-CE 3.85Å; V836-M892 HydrophobicContact CG2-SD 3.61Å; V836-I894 HydrophobicContact CG2-CD1 4.11Å; V836-L913 HydrophobicContact CB-CD2 4.17Å; V836-L913 HydrophobicContact CG1-CD2 4.1Å; V836-L913 HydrophobicContact CG2-CD2 3.8Å
837	V	84.2	Confident	81.3	Confident	85 Å²	85	56.6 Å²	56.6	52%	0.515	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-48.4	179	179.5	0	0	0	0	110.1	K912 L914	V837-K912 HydrophobicContact CB-CB 4.36Å; V837-K912 PolarHBondContact N-O 2.04Å; V837-L914 HydrophobicContact CG2-CB 4.38Å; V837-L914 HydrophobicContact CG2-CD1 3.52Å; V837-L914 HydrophobicContact CG2-CG 3.59Å
838	E	84.9	Confident	81.9	Confident	87 Å²	87	54.6 Å²	54.6	41%	0.407	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	144.6	-172.7	-170.8	171.7	-149.6	0	0	110.4	K912	E838-K912 HydrophobicContact CB-CB 4.25Å; E838-K912 HydrophobicContact CB-CD 4.21Å; E838-K912 HydrophobicContact CB-CG 4.45Å; E838-K912 PolarHBondContact O-N 3.26Å; E838-K912 WeakPolarHBondContact OE2-CD 3.39Å; E838-K912 WeakPolarHBondContact OE2-CE 3.45Å; E838-K912 IonicContact OE2-NZ 3.47Å; E838-K912 PolarHBondContact OE2-NZ 3.38Å
839	T	88	Confident	82.8	Confident	42 Å²	42	56.1 Å²	56.1	26%	0.258	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	114.9	174.3	61	0	0	0	0	108	V836 C848 D910 L911	V836-T839 HydrophobicContact CG1-CG2 3.48Å; V836-T839 VanDerWaalsContact CG1-CG2 3.48Å; T839-C848 HydrophobicContact CG2-CB 4.48Å; T839-D910 WeakPolarHBondContact CA-O 3.35Å; T839-L911 HydrophobicContact CG2-CD2 3.55Å
840	Q	87.7	Confident	82.8	Confident	100 Å²	100	53.7 Å²	53.7	47%	0.467	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.3	-175.7	-172.8	173.8	10.2	0	0	110.5	I909 D910	Q840-I909 CarbonylContact O-C 3.59Å; Q840-I909 WeakPolarHBondContact O-CA 3.46Å; Q840-D910 PolarHBondContact N-O 3.23Å; Q840-D910 PolarHBondContact O-N 2.74Å
841	V	88.1	Confident	82.7	Confident	5 Å²	5	56 Å²	56	3%	0.03	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	140.9	165.3	-177.6	0	0	0	0	108.2	D843 G844 L898 N908 I909	V841-D843 PolarHBondContact O-N 3.15Å; V841-G844 PolarHBondContact O-N 3.25Å; V841-G844 VanDerWaalsContact O-N 3.11Å; V841-L898 HydrophobicContact CG1-CD2 3.54Å; V841-L898 HydrophobicContact CG2-CD2 4.32Å; V841-N908 WeakPolarHBondContact CA-O 3.19Å; V841-I909 HydrophobicContact CG2-CG1 4.46Å
842	S	80.9	Confident	81.9	Confident	34 Å²	34	64.4 Å²	64.4	24%	0.238	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-48.5	134.6	-179.2	-163.2	0	0	0	0	112.3	G844 R845 N908	S842-G844 PolarHBondContact O-N 3.3Å; S842-R845 PolarHBondContact O-N 3.23Å; S842-N908 PolarHBondContact N-O 2.87Å
843	D	74.2	Confident	80.9	Confident	113 Å²	113	63.6 Å²	63.6	60%	0.604	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	54.8	15.6	178.9	-36.5	-53.8	0	0	0	115.3	V841 R845	V841-D843 PolarHBondContact O-N 3.15Å; D843-R845 HydrophobicContact CB-CG 4.09Å; D843-R845 PolarHBondContact O-N 3.49Å; D843-R845 IonicContact OD2-CZ 3.7Å; D843-R845 IonicContact OD2-NE 3.35Å; D843-R845 PolarHBondContact OD2-NE 2.75Å; D843-R845 VanDerWaalsContact OD2-NE 3.1Å; D843-R845 IonicContact OD2-NH2 3.48Å; D843-R845 PolarHBondContact OD2-NH2 3.17Å
844	G	74.8	Confident	79.7	Confident	61 Å²	61	71.5 Å²	71.5	63%	0.629	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	68.6	14.8	-171.9	0	0	0	0	0	114	V841 S842 G846	V841-G844 PolarHBondContact O-N 3.25Å; V841-G844 VanDerWaalsContact O-N 3.11Å; S842-G844 PolarHBondContact O-N 3.3Å; G844-G846 PolarHBondContact O-N 2.86Å
845	R	81.2	Confident	78.8	Confident	93 Å²	93	78.3 Å²	78.3	35%	0.351	42%	0.418	S	S	.	.			trans	-80.7	41	-177.9	-66.8	-172.1	-72.9	156.3	-9.8	112.9	S842 D843 G899 E905	S842-R845 PolarHBondContact O-N 3.23Å; D843-R845 HydrophobicContact CB-CG 4.09Å; D843-R845 PolarHBondContact O-N 3.49Å; D843-R845 IonicContact OD2-CZ 3.7Å; D843-R845 IonicContact OD2-NE 3.35Å; D843-R845 PolarHBondContact OD2-NE 2.75Å; D843-R845 VanDerWaalsContact OD2-NE 3.1Å; D843-R845 IonicContact OD2-NH2 3.48Å; D843-R845 PolarHBondContact OD2-NH2 3.17Å; R845-G899 PolarHBondContact O-N 3Å; R845-E905 IonicContact CZ-OE1 3.73Å; R845-E905 IonicContact NH1-OE1 2.77Å; R845-E905 PolarHBondContact NH1-OE1 3.02Å; R845-E905 IonicContact NH2-OE1 2.91Å; R845-E905 PolarHBondContact NH2-OE1 2.85Å
846	G	83.6	Confident	78.1	Confident	17 Å²	17	77.1 Å²	77.1	18%	0.175	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.8	169.2	-178.4	0	0	0	0	0	112.3	G844 S897	G844-G846 PolarHBondContact O-N 2.86Å; G846-S897 CarbonylContact C-O 3.55Å; G846-S897 WeakPolarHBondContact CA-O 3.45Å
847	N	86.3	Confident	77.7	Confident	129 Å²	129	78.2 Å²	78.2	69%	0.69	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.7	143.3	177	-95.3	-38.1	0	0	0	110.8	C896 S897	N847-C896 CarbonylContact O-C 3.54Å; N847-C896 WeakPolarHBondContact O-CA 3.47Å; N847-S897 PolarHBondContact N-O 2.98Å; N847-S897 VanDerWaalsContact N-O 3.09Å; N847-S897 PolarHBondContact O-N 2.87Å; N847-S897 PolarHBondContact O-OG 3.32Å
848	C	87.8	Confident	77.2	Confident	14 Å²	14	76.5 Å²	76.5	10%	0.095	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	151.6	173.7	-60.1	0	0	0	0	111.6	T839 P850 I894 S895 C896	T839-C848 HydrophobicContact CG2-CB 4.48Å; C848-P850 WeakPolarHBondContact O-CD 3.27Å; C848-I894 HydrophobicContact CB-CG2 4.03Å; C848-S895 CarbonylContact C-O 3.53Å; C848-S895 WeakPolarHBondContact CA-O 3.49Å; C848-C896 HydrophobicContact CB-CB 4.1Å; C848-C896 WeakPolarHBondContact CB-SG 3.42Å; C848-C896 WeakPolarHBondContact SG-CB 3.08Å; C848-C896 CovalentContact SG-SG 2.04Å; C848-C896 PolarHBondContact SG-SG 2.85Å
849	T	85	Confident	76.6	Confident	62 Å²	62	76.3 Å²	76.3	38%	0.38	41%	0.412	S	S	.	.			trans	-59.2	120.6	174.9	49.7	0	0	0	0	111.1	H851 S895	T849-H851 PolarHBondContact O-N 2.8Å; T849-H851 VanDerWaalsContact O-N 3.12Å; T849-S895 PolarHBondContact N-O 3.3Å; T849-S895 PolarHBondContact OG1-N 3.43Å; T849-S895 VanDerWaalsContact OG1-N 3.1Å; T849-S895 PolarHBondContact OG1-O 2.03Å
850	P	69.6	Low	75.6	Confident	121 Å²	121	76.1 Å²	76.1	79%	0.786	41%	0.411	S	S	*	.			trans	-72.3	108.1	-174.5	27.9	-34.4	0	0	0	111.5	C848	C848-P850 WeakPolarHBondContact O-CD 3.27Å
851	H	71.3	Confident	74.3	Confident	72 Å²	72	80.4 Å²	80.4	33%	0.333	43%	0.432	S	S	.	.			trans	-102.6	106.6	-179.1	-162.4	92.4	0	0	0	111.4	V836 T849 M892	V836-H851 HydrophobicContact CG2-CB 4.15Å; T849-H851 PolarHBondContact O-N 2.8Å; T849-H851 VanDerWaalsContact O-N 3.12Å; H851-M892 PolarHBondContact CD2-SD 3.03Å
852	R	62.8	Low	72.8	Confident	219 Å²	219	85.7 Å²	85.7	83%	0.826	46%	0.46	S	S	*	.			trans	-109.9	110.3	178.3	-71.2	-173.9	175.4	-171.3	-1.4	111.5	L854	R852-L854 PolarHBondContact O-N 2.98Å
853	N	64.4	Low	71.3	Confident	26 Å²	26	93 Å²	93	14%	0.139	49%	0.487	C	S	.	.			trans	-75.6	117.2	168.7	-178.4	-11.5	0	0	0	109.3	F834 M855	F834-N853 PolarHBondContact O-ND2 2.9Å; N853-M855 VanDerWaalsContact C-N 3.35Å; N853-M855 PolarHBondContact O-N 3.44Å; N853-M855 PolarHBondContact OD1-N 2.87Å; N853-M855 VanDerWaalsContact OD1-N 3.14Å
854	L	61.5	Low	70	Confident	166 Å²	166	94.6 Å²	94.6	87%	0.869	49%	0.491	S	S	*	.	S	Bend	trans	-75.4	-16.2	-173.7	-69.1	168.7	0	0	0	114.4	R852	R852-L854 PolarHBondContact O-N 2.98Å
855	M	67.8	Low	68.8	Low	145 Å²	145	97.2 Å²	97.2	71%	0.714	49%	0.491	S	S	*	.			trans	-137.5	71.8	176.3	-78.4	-171.7	153.2	0	0	110.4	N853 C857	N853-M855 VanDerWaalsContact C-N 3.35Å; N853-M855 PolarHBondContact O-N 3.44Å; N853-M855 PolarHBondContact OD1-N 2.87Å; N853-M855 VanDerWaalsContact OD1-N 3.14Å; M855-C857 VanDerWaalsContact C-N 3.32Å; M855-C857 PolarHBondContact O-N 2.91Å
856	P	69.3	Low	67.5	Low	16 Å²	16	99 Å²	99	10%	0.104	51%	0.506	C	S	.	.			trans	-64.9	-33.6	-174.1	25.2	-33.5	0	0	0	113.4	M792 F796 H835 N916	M792-P856 HydrophobicContact CE-CG 3.81Å; M792-P856 HydrophobicContact SD-CG 3.85Å; F796-P856 HydrophobicContact CE1-CB 4.35Å; F796-P856 WeakPolarHBondContact CE1-O 3.4Å; F796-P856 HydrophobicContact CZ-CB 4.27Å; H835-P856 HydrophobicContact CB-CB 3.85Å; P856-N916 PolarHBondContact O-ND2 3.19Å
857	C	77.4	Confident	66.1	Low	36 Å²	36	106.4 Å²	106.4	24%	0.243	53%	0.533	C	S	.	.			trans	-94.5	96.4	173	179.5	0	0	0	0	111.4	M792 C794 F796 M855	M792-C857 HydrophobicContact CB-CB 3.87Å; M792-C857 HydrophobicContact CG-CB 4Å; M792-C857 HydrophobicContact SD-CB 3.58Å; M792-C857 VanDerWaalsContact SD-CB 3.58Å; C794-C857 HydrophobicContact CB-CB 3.74Å; C794-C857 WeakPolarHBondContact CB-SG 3.42Å; C794-C857 PolarHBondContact N-SG 3.08Å; C794-C857 VanDerWaalsContact SG-C 3.56Å; C794-C857 WeakPolarHBondContact SG-CA 3.48Å; C794-C857 WeakPolarHBondContact SG-CB 3.16Å; C794-C857 CovalentContact SG-SG 2.04Å; C794-C857 PolarHBondContact SG-SG 2.77Å; F796-C857 HydrophobicContact CZ-CB 4.1Å; M855-C857 VanDerWaalsContact C-N 3.32Å; M855-C857 PolarHBondContact O-N 2.91Å
858	T	74.9	Confident	64.6	Low	49 Å²	49	106.9 Å²	106.9	30%	0.301	53%	0.531	S	S	.	.			trans	-106.9	122.5	161	-62.1	0	0	0	0	108.7	P831 N916	P831-T858 HydrophobicContact CB-CG2 3.87Å; P831-T858 HydrophobicContact CG-CG2 4.11Å; T858-N916 PolarHBondContact N-ND2 2.73Å; T858-N916 PolarHBondContact O-ND2 3.13Å
859	I	72.3	Confident	63.1	Low	83 Å²	83	108.7 Å²	108.7	43%	0.426	54%	0.544	S	S	.	.			trans	-100.2	116.1	168.5	-58.3	-178.2	0	0	0	107.9	K793 C794 Q861	K793-I859 HydrophobicContact CB-CD1 3.76Å; C794-I859 WeakPolarHBondContact SG-CG1 3.48Å; I859-Q861 PolarHBondContact O-N 3.15Å
860	P	66.8	Low	61.6	Low	37 Å²	37	110 Å²	110	24%	0.24	55%	0.548	C	S	.	.			trans	-62.4	130.1	175	-18	30.5	0	0	0	111.1	D862 I919 I922	P860-D862 PolarHBondContact O-N 3.06Å; P860-I919 HydrophobicContact CG-CG1 4.39Å; P860-I922 HydrophobicContact CB-CD1 3.73Å; P860-I922 HydrophobicContact CB-CG1 3.86Å; P860-I922 HydrophobicContact CG-CD1 3.46Å; P860-I922 VanDerWaalsContact CG-CD1 3.46Å; P860-I922 HydrophobicContact CG-CG1 3.66Å
861	Q	60.2	Low	60.9	Low	190 Å²	190	111.4 Å²	111.4	89%	0.888	54%	0.542	S	S	*	.			trans	-86.1	98.4	171.2	-72.9	-169.1	-4.6	0	0	110.4	I859 K863	I859-Q861 PolarHBondContact O-N 3.15Å; Q861-K863 PolarHBondContact O-N 3.18Å
862	D	57.1	Low	60.1	Low	117 Å²	117	110.7 Å²	110.7	63%	0.626	55%	0.545	S	S	*	.			trans	-63.9	116	168.8	-96.3	-30.4	0	0	0	110.7	P860 E864	P860-D862 PolarHBondContact O-N 3.06Å; D862-E864 PolarHBondContact O-N 3.4Å
863	K	48.4	Very low	59.7	Low	188 Å²	188	106.9 Å²	106.9	82%	0.817	54%	0.535	S	S	*	.			trans	-79.6	96	154.7	-73.2	-175.8	177.3	179.3	0	106.9	Q861 N865	Q861-K863 PolarHBondContact O-N 3.18Å; K863-N865 PolarHBondContact O-N 2.91Å
864	E	46.7	Very low	59.2	Low	146 Å²	146	114 Å²	114	68%	0.682	56%	0.564	S	S	*	*			trans	-61.3	82.1	177	-75.9	-159.8	126.8	0	0	111.9	D862 I866 R966	D862-E864 PolarHBondContact O-N 3.4Å; E864-I866 PolarHBondContact O-N 3.08Å; E864-R966 IonicContact OE1-NH1 3.11Å
865	N	50.4	Low	58.9	Low	116 Å²	116	109.6 Å²	109.6	62%	0.62	55%	0.545	S	S	*	.			trans	-69	111.5	166.2	-80.7	-25.2	0	0	0	108.2	K863 F867 H868	K863-N865 PolarHBondContact O-N 2.91Å; N865-F867 PolarHBondContact O-N 3.32Å; N865-H868 HydrophobicContact CB-CB 4.45Å; N865-H868 WeakPolarHBondContact O-CB 3.47Å; N865-H868 PolarHBondContact O-N 3.41Å
866	I	53.4	Low	58.2	Low	129 Å²	129	112.8 Å²	112.8	66%	0.662	55%	0.554	S	S	*	*	H	α-helix	trans	-54.4	-29.5	-175.8	-61.4	170.4	0	0	0	112.6	E864 H868 S869 I870	E864-I866 PolarHBondContact O-N 3.08Å; I866-H868 VanDerWaalsContact C-N 3.32Å; I866-H868 PolarHBondContact O-N 2.84Å; I866-S869 PolarHBondContact O-OG 2.92Å; I866-I870 HydrophobicContact CG2-CD1 4.16Å; I866-I870 WeakPolarHBondContact O-CG1 3.49Å; I866-I870 PolarHBondContact O-N 3.16Å
867	F	54.7	Low	57.8	Low	173 Å²	173	114.6 Å²	114.6	76%	0.759	57%	0.568	S	S	*	*	H	α-helix	trans	-63.9	-32.1	173.2	-72.9	-80.5	0	0	0	114	N865 I870 F871	N865-F867 PolarHBondContact O-N 3.32Å; F867-I870 PolarHBondContact O-N 3.29Å; F867-F871 PolarHBondContact O-N 2.95Å
868	H	56.1	Low	57.6	Low	140 Å²	140	114.8 Å²	114.8	65%	0.648	58%	0.575	S	S	*	*	H	α-helix	trans	-75.3	-37.1	-176.7	-144.8	-85.2	0	0	0	111.7	N865 I866 F871 S872	N865-H868 HydrophobicContact CB-CB 4.45Å; N865-H868 WeakPolarHBondContact O-CB 3.47Å; N865-H868 PolarHBondContact O-N 3.41Å; I866-H868 VanDerWaalsContact C-N 3.32Å; I866-H868 PolarHBondContact O-N 2.84Å; H868-F871 PolarHBondContact O-N 3.29Å; H868-S872 WeakPolarHBondContact O-CB 3.11Å; H868-S872 PolarHBondContact O-N 2.86Å; H868-S872 PolarHBondContact O-OG 3.08Å
869	S	55.2	Low	57.9	Low	52 Å²	52	119.5 Å²	119.5	36%	0.364	59%	0.588	S	S	.	*	H	α-helix	trans	-68.7	-34.2	173.3	56.7	0	0	0	0	112	I866 S872 F873	I866-S869 PolarHBondContact O-OG 2.92Å; S869-S872 WeakPolarHBondContact CA-OG 3.28Å; S869-S872 PolarHBondContact O-OG 2.9Å; S869-F873 PolarHBondContact O-N 3.28Å
870	I	53.5	Low	58.5	Low	89 Å²	89	117.8 Å²	117.8	46%	0.456	58%	0.577	S	S	.	*	H	α-helix	trans	-64.9	-49.6	170.8	-65.3	166.7	0	0	0	110.8	I866 F867 S872 F873 F874	I866-I870 HydrophobicContact CG2-CD1 4.16Å; I866-I870 WeakPolarHBondContact O-CG1 3.49Å; I866-I870 PolarHBondContact O-N 3.16Å; F867-I870 PolarHBondContact O-N 3.29Å; I870-S872 PolarHBondContact O-N 3Å; I870-F873 WeakPolarHBondContact O-CB 3.16Å; I870-F873 PolarHBondContact O-N 2.86Å; I870-F874 HydrophobicContact CG2-CD2 4.48Å; I870-F874 HydrophobicContact CG2-CE2 4.2Å; I870-F874 WeakPolarHBondContact O-CD2 3.39Å
871	F	53.9	Low	59.4	Low	151 Å²	151	117.9 Å²	117.9	66%	0.662	58%	0.577	S	S	*	*	H	α-helix	trans	-62	-41.7	179.3	-113.5	-88	0	0	0	112.7	F867 H868 F873 F874 T875	F867-F871 PolarHBondContact O-N 2.95Å; H868-F871 PolarHBondContact O-N 3.29Å; F871-F873 PolarHBondContact O-N 2.98Å; F871-F873 VanDerWaalsContact O-N 3.17Å; F871-F874 PolarHBondContact O-N 3.08Å; F871-T875 PolarHBondContact O-N 3.12Å; F871-T875 PolarHBondContact O-OG1 3.25Å
872	S	55.9	Low	60.7	Low	56 Å²	56	108.9 Å²	108.9	39%	0.392	54%	0.535	S	S	.	.	H	α-helix	trans	-60.9	-25.1	178.8	70.4	0	0	0	0	113.7	H868 S869 I870 F874 T875	H868-S872 WeakPolarHBondContact O-CB 3.11Å; H868-S872 PolarHBondContact O-N 2.86Å; H868-S872 PolarHBondContact O-OG 3.08Å; S869-S872 WeakPolarHBondContact CA-OG 3.28Å; S869-S872 PolarHBondContact O-OG 2.9Å; I870-S872 PolarHBondContact O-N 3Å; S872-F874 VanDerWaalsContact C-N 3.34Å; S872-T875 WeakPolarHBondContact CA-OG1 3.29Å; S872-T875 PolarHBondContact O-OG1 3.21Å
873	F	53.8	Low	62.1	Low	140 Å²	140	104 Å²	104	61%	0.614	51%	0.509	S	S	*	.	H	α-helix	trans	-75.1	-22	177.1	-156.9	-91.6	0	0	0	113.1	S869 I870 F871	S869-F873 PolarHBondContact O-N 3.28Å; I870-F873 WeakPolarHBondContact O-CB 3.16Å; I870-F873 PolarHBondContact O-N 2.86Å; F871-F873 PolarHBondContact O-N 2.98Å; F871-F873 VanDerWaalsContact O-N 3.17Å
874	F	54.2	Low	63.8	Low	174 Å²	174	96.1 Å²	96.1	76%	0.763	48%	0.477	S	S	*	.	H	α-helix	trans	-101	-16.5	178.8	-68.5	-72.5	0	0	0	113.9	I870 F871 S872	I870-F874 HydrophobicContact CG2-CD2 4.48Å; I870-F874 HydrophobicContact CG2-CE2 4.2Å; I870-F874 WeakPolarHBondContact O-CD2 3.39Å; F871-F874 PolarHBondContact O-N 3.08Å; S872-F874 VanDerWaalsContact C-N 3.34Å
875	T	55.7	Low	65.4	Low	74 Å²	74	93.8 Å²	93.8	45%	0.454	47%	0.469	S	S	.	.	S	Bend	trans	-82.6	126.5	174.6	51.3	0	0	0	0	111.8	F871 S872 S877	F871-T875 PolarHBondContact O-N 3.12Å; F871-T875 PolarHBondContact O-OG1 3.25Å; S872-T875 WeakPolarHBondContact CA-OG1 3.29Å; S872-T875 PolarHBondContact O-OG1 3.21Å; T875-S877 PolarHBondContact O-N 3.28Å
876	K	52.1	Low	66.7	Low	212 Å²	212	94.4 Å²	94.4	92%	0.922	46%	0.463	S	S	*	.			trans	-62	123.6	169.6	-82.1	-171.3	174.2	-176.7	0	110.5	G878	K876-G878 PolarHBondContact O-N 2.89Å
877	S	61.3	Low	67.5	Low	55 Å²	55	94.6 Å²	94.6	39%	0.385	47%	0.473	S	S	.	.			trans	-69.8	111.7	179	-175.8	0	0	0	0	111.6	T875 S924 S925 S926	T875-S877 PolarHBondContact O-N 3.28Å; S877-S924 WeakPolarHBondContact CB-O 3.43Å; S877-S924 PolarHBondContact OG-O 3.45Å; S877-S925 VanDerWaalsContact OG-C 3.3Å; S877-S926 PolarHBondContact O-OG 3.5Å; S877-S926 WeakPolarHBondContact OG-CA 3.42Å; S877-S926 VanDerWaalsContact OG-CB 3.31Å; S877-S926 WeakPolarHBondContact OG-CB 3.4Å; S877-S926 PolarHBondContact OG-N 2.71Å
878	G	73.1	Confident	68.1	Low	39 Å²	39	89.7 Å²	89.7	40%	0.402	47%	0.471	S	S	.	.			trans	-101.8	-178.2	-173.4	0	0	0	0	0	115.2	K876 S925 S926	K876-G878 PolarHBondContact O-N 2.89Å; G878-S925 CarbonylContact O-C 3.59Å; G878-S925 VanDerWaalsContact O-CA 3.31Å; G878-S925 WeakPolarHBondContact O-CA 3.29Å; G878-S925 VanDerWaalsContact O-CB 3.27Å; G878-S925 WeakPolarHBondContact O-CB 3.32Å; G878-S926 PolarHBondContact O-N 2.86Å; G878-S926 PolarHBondContact O-OG 3.13Å
879	R	81.1	Confident	69.1	Low	149 Å²	149	86.9 Å²	86.9	56%	0.562	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.9	175.7	-179	171.2	-179.3	-146.4	15	110.7	V927 E958	R879-V927 CarbonylContact C-O 3.51Å; R879-V927 VanDerWaalsContact CA-O 3.32Å; R879-V927 WeakPolarHBondContact CA-O 3.32Å; R879-V927 HydrophobicContact CB-CB 4.26Å; R879-V927 HydrophobicContact CG-CB 3.98Å; R879-V927 HydrophobicContact CG-CG1 4.09Å; R879-E958 IonicContact CZ-OE1 3.81Å; R879-E958 VanDerWaalsContact CZ-OE1 3.22Å; R879-E958 IonicContact NE-OE1 3.52Å; R879-E958 PolarHBondContact NE-OE1 3.28Å; R879-E958 IonicContact NH2-OE1 2.7Å; R879-E958 PolarHBondContact NH2-OE1 2.63Å
880	K	84.3	Confident	70.2	Confident	47 Å²	47	85.8 Å²	85.8	20%	0.204	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.1	-178.1	-178.9	174.3	178.9	176.2	0	110	L826 D923 S925 V927 I928 Q929	L826-K880 HydrophobicContact CD1-CD 4.24Å; L826-K880 PolarHBondContact O-NZ 2.92Å; K880-D923 VanDerWaalsContact CD-OD2 3.29Å; K880-D923 WeakPolarHBondContact CD-OD2 3.45Å; K880-D923 WeakPolarHBondContact CE-OD2 3.31Å; K880-D923 IonicContact NZ-OD2 3.66Å; K880-D923 PolarHBondContact NZ-OD2 3.38Å; K880-S925 WeakPolarHBondContact CB-OG 3.27Å; K880-V927 PolarHBondContact N-O 3.48Å; K880-I928 CarbonylContact O-C 3.41Å; K880-I928 WeakPolarHBondContact O-CA 3.25Å; K880-Q929 PolarHBondContact O-N 2.9Å
881	V	86.2	Confident	71.7	Confident	39 Å²	39	83.8 Å²	83.8	24%	0.236	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.3	-178.3	-170.3	0	0	0	0	110.7	Q929 V931	V881-Q929 WeakPolarHBondContact CA-O 3.09Å; V881-Q929 HydrophobicContact CG2-CB 4.4Å; V881-V931 HydrophobicContact CG1-CG2 4.18Å
882	L	87	Confident	73.3	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114	175.4	-57.6	179.1	0	0	0	108.5	P823 L826 M833 R889 I928 Q929 F930 V931	P823-L882 HydrophobicContact CB-CB 4.06Å; P823-L882 HydrophobicContact CG-CB 4.07Å; L826-L882 HydrophobicContact CD1-CD1 4.32Å; M833-L882 HydrophobicContact CE-CD1 4Å; L882-R889 VanDerWaalsContact CD2-NH1 3.33Å; L882-I928 HydrophobicContact CD1-CG2 3.76Å; L882-I928 HydrophobicContact CG-CG2 4.17Å; L882-Q929 PolarHBondContact N-O 2.89Å; L882-F930 HydrophobicContact CD1-CD1 3.97Å; L882-F930 HydrophobicContact CD1-CE1 3.72Å; L882-F930 HydrophobicContact CD1-CZ 4.23Å; L882-V931 PolarHBondContact O-N 3.18Å
883	D	86.9	Confident	74.9	Confident	15 Å²	15	77.3 Å²	77.3	8%	0.08	41%	0.412	C	S	.	.			trans	-141	143.1	179.7	-174.8	0.5	0	0	0	107.8	R886 V931 R933	D883-R886 HydrophobicContact CB-CG 4.31Å; D883-V931 HydrophobicContact CB-CB 3.9Å; D883-V931 HydrophobicContact CB-CG1 4.5Å; D883-V931 HydrophobicContact CB-CG2 4.12Å; D883-R933 IonicContact OD1-CZ 2.82Å; D883-R933 IonicContact OD1-NE 3.95Å; D883-R933 PolarHBondContact OD1-NE 3.47Å; D883-R933 IonicContact OD1-NH2 3.74Å; D883-R933 PolarHBondContact OD1-NH2 2.62Å; D883-R933 IonicContact OD2-CZ 3.68Å; D883-R933 IonicContact OD2-NE 2.7Å; D883-R933 IonicContact OD2-NH2 3.82Å; D883-R933 PolarHBondContact OD2-NH2 2.84Å
884	C	83.4	Confident	76.6	Confident	23 Å²	23	70.6 Å²	70.6	16%	0.155	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-27.8	-173.7	-71.3	0	0	0	0	113.7	R821 R886 C891	R821-C884 HydrophobicContact CB-CB 4.47Å; C884-R886 PolarHBondContact O-N 2.88Å; C884-R886 VanDerWaalsContact O-N 3.13Å; C884-C891 WeakPolarHBondContact CA-SG 3.33Å; C884-C891 HydrophobicContact CB-CB 4.02Å; C884-C891 WeakPolarHBondContact CB-SG 3.35Å; C884-C891 WeakPolarHBondContact SG-CB 3.5Å; C884-C891 CovalentContact SG-SG 2.03Å; C884-C891 PolarHBondContact SG-SG 3.17Å
885	D	80.5	Confident	78.3	Confident	96 Å²	96	64 Å²	64	51%	0.513	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-0.1	-177.7	-60.4	3.3	0	0	0	112.2	R933	D885-R933 WeakPolarHBondContact OD1-CD 3.43Å; D885-R933 IonicContact OD1-NE 3.52Å; D885-R933 WeakPolarHBondContact OD2-CD 3.48Å; D885-R933 IonicContact OD2-CZ 3.94Å; D885-R933 IonicContact OD2-NE 3.79Å; D885-R933 PolarHBondContact OD2-NE 2.8Å; D885-R933 VanDerWaalsContact OD2-NE 3.12Å; D885-R933 IonicContact OD2-NH1 3.7Å; D885-R933 PolarHBondContact OD2-NH1 2.78Å; D885-R933 IonicContact OD2-NH2 3.23Å; D885-R933 PolarHBondContact OD2-NH2 3.1Å
886	R	78.6	Confident	80	Confident	129 Å²	129	60.5 Å²	60.5	49%	0.487	34%	0.337	S	S	.	.	S	Bend	trans	-92.3	125.7	177.5	-62.9	-173.7	-176.9	-151.8	0.4	110.7	D883 C884 R889	D883-R886 HydrophobicContact CB-CG 4.31Å; C884-R886 PolarHBondContact O-N 2.88Å; C884-R886 VanDerWaalsContact O-N 3.13Å; R886-R889 HydrophobicContact CB-CG 4.32Å; R886-R889 WeakPolarHBondContact O-CB 3.2Å; R886-R889 PolarHBondContact O-N 2.86Å
887	P	70.5	Confident	81.7	Confident	134 Å²	134	53.3 Å²	53.3	87%	0.87	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	142.9	-175.8	24.6	-34.4	0	0	0	112.4
888	G	66.5	Low	83.1	Confident	70 Å²	70	51.1 Å²	51.1	72%	0.722	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	10.3	-178.8	0	0	0	0	0	115.2
889	R	76.5	Confident	83.6	Confident	80 Å²	80	50.1 Å²	50.1	30%	0.302	29%	0.287	S	S	.	.			trans	-95.7	141.9	170.9	-68	-69.7	173.7	-171.1	-5.2	111.4	L826 L882 R886	L826-R889 PolarHBondContact O-NH1 2.9Å; L882-R889 VanDerWaalsContact CD2-NH1 3.33Å; R886-R889 HydrophobicContact CB-CG 4.32Å; R886-R889 WeakPolarHBondContact O-CB 3.2Å; R886-R889 PolarHBondContact O-N 2.86Å
890	A	79.9	Confident	83.8	Confident	30 Å²	30	45.7 Å²	45.7	25%	0.248	28%	0.278	C	S	.	.			trans	-97.8	126	173	0	0	0	0	0	109.4	N824 R825	N824-A890 PolarHBondContact N-O 2.53Å; N824-A890 VanDerWaalsContact N-O 3.07Å; R825-A890 HydrophobicContact CB-CB 4.18Å; R825-A890 HydrophobicContact CG-CB 4.01Å
891	C	84.8	Confident	83.9	Confident	46 Å²	46	43.6 Å²	43.6	31%	0.311	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.2	-178.8	-71.2	0	0	0	0	112.2	I822 P823 C884	I822-C891 CarbonylContact O-C 3.55Å; I822-C891 VanDerWaalsContact O-CA 3.26Å; I822-C891 WeakPolarHBondContact O-CA 3.18Å; I822-C891 WeakPolarHBondContact O-CB 3.37Å; P823-C891 VanDerWaalsContact CA-SG 3.55Å; C884-C891 WeakPolarHBondContact CA-SG 3.33Å; C884-C891 HydrophobicContact CB-CB 4.02Å; C884-C891 WeakPolarHBondContact CB-SG 3.35Å; C884-C891 WeakPolarHBondContact SG-CB 3.5Å; C884-C891 CovalentContact SG-SG 2.03Å; C884-C891 PolarHBondContact SG-SG 3.17Å
892	M	87.5	Confident	83.8	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.6	166.4	175.8	172.8	66.8	0	0	107.7	I822 N824 F834 V836 H851 I894 L913	I822-M892 HydrophobicContact CB-CE 4.08Å; I822-M892 HydrophobicContact CD1-CE 3.7Å; I822-M892 HydrophobicContact CG2-CE 4.1Å; I822-M892 PolarHBondContact N-O 3.31Å; I822-M892 PolarHBondContact O-N 2.98Å; N824-M892 HydrophobicContact CB-CB 4.03Å; F834-M892 HydrophobicContact CB-CE 4.2Å; V836-M892 HydrophobicContact CG2-CE 3.85Å; V836-M892 HydrophobicContact CG2-SD 3.61Å; H851-M892 PolarHBondContact CD2-SD 3.03Å; M892-I894 HydrophobicContact CE-CD1 4.15Å; M892-I894 HydrophobicContact CG-CG1 4.22Å; M892-I894 HydrophobicContact SD-CD1 4.44Å; M892-L913 HydrophobicContact CE-CD2 4.42Å
893	V	88.1	Confident	83.6	Confident	66 Å²	66	52 Å²	52	40%	0.4	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.3	171.4	-174.9	0	0	0	0	107.9	I820 R821	I820-V893 CarbonylContact O-C 3.6Å; I820-V893 WeakPolarHBondContact O-CA 3.23Å; R821-V893 HydrophobicContact CG-CG1 4.42Å; R821-V893 HydrophobicContact CG-CG2 4.26Å
894	I	89.9	Confident	83.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	113.8	173.4	-57.2	176.4	0	0	0	106.3	I820 I822 V836 C848 M892 L911	I820-I894 PolarHBondContact N-O 2.82Å; I820-I894 PolarHBondContact O-N 3.28Å; I822-I894 HydrophobicContact CD1-CD1 4.09Å; V836-I894 HydrophobicContact CG2-CD1 4.11Å; C848-I894 HydrophobicContact CB-CG2 4.03Å; M892-I894 HydrophobicContact CE-CD1 4.15Å; M892-I894 HydrophobicContact CG-CG1 4.22Å; M892-I894 HydrophobicContact SD-CD1 4.44Å; I894-L911 HydrophobicContact CD1-CD1 4.3Å; I894-L911 HydrophobicContact CD1-CD2 4.48Å; I894-L911 HydrophobicContact CG2-CD2 4.4Å
895	S	90.6	Very high	83.6	Confident	36 Å²	36	56.4 Å²	56.4	25%	0.252	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130	176.9	-55	0	0	0	0	109	V818 D819 C848 T849	V818-S895 CarbonylContact O-C 3.48Å; V818-S895 WeakPolarHBondContact O-CA 3.45Å; D819-S895 WeakPolarHBondContact OD1-CB 3.49Å; D819-S895 PolarHBondContact OD1-OG 3.41Å; C848-S895 CarbonylContact C-O 3.53Å; C848-S895 WeakPolarHBondContact CA-O 3.49Å; T849-S895 PolarHBondContact N-O 3.3Å; T849-S895 PolarHBondContact OG1-N 3.43Å; T849-S895 VanDerWaalsContact OG1-N 3.1Å; T849-S895 PolarHBondContact OG1-O 2.03Å
896	C	90.4	Very high	83.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.9	-179.2	-59.5	0	0	0	0	110.3	T817 V818 N847 C848 I909	T817-C896 CarbonylContact C-O 3.54Å; T817-C896 WeakPolarHBondContact CA-O 3.42Å; V818-C896 PolarHBondContact N-O 2.98Å; V818-C896 PolarHBondContact O-N 3.42Å; N847-C896 CarbonylContact O-C 3.54Å; N847-C896 WeakPolarHBondContact O-CA 3.47Å; C848-C896 HydrophobicContact CB-CB 4.1Å; C848-C896 WeakPolarHBondContact CB-SG 3.42Å; C848-C896 WeakPolarHBondContact SG-CB 3.08Å; C848-C896 CovalentContact SG-SG 2.04Å; C848-C896 PolarHBondContact SG-SG 2.85Å; C896-I909 HydrophobicContact CB-CD1 3.95Å; C896-I909 HydrophobicContact CB-CG2 4.42Å
897	S	89.3	Confident	84.4	Confident	61 Å²	61	47.4 Å²	47.4	43%	0.427	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132.6	171.7	57.4	0	0	0	0	110	G846 N847	G846-S897 CarbonylContact C-O 3.55Å; G846-S897 WeakPolarHBondContact CA-O 3.45Å; N847-S897 PolarHBondContact N-O 2.98Å; N847-S897 VanDerWaalsContact N-O 3.09Å; N847-S897 PolarHBondContact O-N 2.87Å; N847-S897 PolarHBondContact O-OG 3.32Å
898	L	89.5	Confident	85.3	Confident	9 Å²	9	43.3 Å²	43.3	5%	0.047	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.7	178.7	-63.4	-176.8	0	0	0	110.4	A805 S816 V818 V841 L907 I909	A805-L898 HydrophobicContact CB-CD1 3.77Å; S816-L898 PolarHBondContact N-O 2.76Å; S816-L898 PolarHBondContact O-N 2.98Å; V818-L898 HydrophobicContact CG2-CD1 3.66Å; V818-L898 HydrophobicContact CG2-CG 4.23Å; V841-L898 HydrophobicContact CG1-CD2 3.54Å; V841-L898 HydrophobicContact CG2-CD2 4.32Å; L898-L907 HydrophobicContact CB-CD1 4.04Å; L898-L907 HydrophobicContact CD1-CB 4.35Å; L898-L907 HydrophobicContact CD1-CD1 4.48Å; L898-L907 HydrophobicContact CD2-CB 4.37Å; L898-L907 HydrophobicContact CD2-CD1 4.32Å; L898-I909 HydrophobicContact CD1-CD1 4.49Å; L898-I909 HydrophobicContact CD2-CD1 4.12Å; L898-I909 HydrophobicContact CD2-CG1 4.03Å
899	G	84.7	Confident	86.5	Confident	18 Å²	18	40 Å²	40	19%	0.186	23%	0.23	C	C	.	.			trans	-68.2	180	173.2	0	0	0	0	0	113.4	R845 Q901	R845-G899 PolarHBondContact O-N 3Å; G899-Q901 PolarHBondContact O-N 3.19Å
900	P	84.7	Confident	87.2	Confident	56 Å²	56	38.8 Å²	38.8	36%	0.364	23%	0.229	S	C	.	.			trans	-64.6	133.1	-177.6	25.6	-34.5	0	0	0	112	L813 P814	L813-P900 CarbonylContact O-C 3.59Å; L813-P900 WeakPolarHBondContact O-CA 3.39Å; P814-P900 WeakPolarHBondContact O-CB 3.34Å
901	Q	85.9	Confident	87.7	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.009	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-110	129.2	179.3	-60.7	-178	-110.3	0	0	110.6	A805 N807 R812 L813 S816 G899 E905 L907	A805-Q901 PolarHBondContact O-NE2 3.3Å; N807-Q901 HydrophobicContact CB-CB 4.13Å; R812-Q901 WeakPolarHBondContact CG-O 3.45Å; L813-Q901 HydrophobicContact CB-CB 4.27Å; L813-Q901 HydrophobicContact CD2-CB 4.29Å; L813-Q901 HydrophobicContact CD2-CG 4.43Å; L813-Q901 PolarHBondContact N-O 2.71Å; L813-Q901 PolarHBondContact O-N 3.44Å; S816-Q901 PolarHBondContact OG-OE1 2.9Å; G899-Q901 PolarHBondContact O-N 3.19Å; Q901-E905 PolarHBondContact NE2-O 2.84Å; Q901-L907 HydrophobicContact CG-CD1 3.55Å; Q901-L907 HydrophobicContact CG-CG 3.94Å
902	L	83.9	Confident	88	Confident	98 Å²	98	39.1 Å²	39.1	51%	0.513	22%	0.22	S	C	.	.			trans	-68.1	173.4	168.4	-64.7	174.7	0	0	0	111.1	N807 R812 E905	N807-L902 PolarHBondContact ND2-O 3.37Å; R812-L902 HydrophobicContact CG-CD2 4.16Å; L902-E905 HydrophobicContact CB-CB 4.1Å; L902-E905 WeakPolarHBondContact CB-OE2 3.29Å; L902-E905 PolarHBondContact N-OE2 3.5Å; L902-E905 WeakPolarHBondContact O-CB 3.14Å; L902-E905 PolarHBondContact O-N 2.92Å
903	K	83.6	Confident	88.1	Confident	119 Å²	119	39.1 Å²	39.1	52%	0.517	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	137.6	171.5	171.9	170.7	-179.7	173.2	0	110.2	G809 E905	G809-K903 WeakPolarHBondContact O-CD 3.49Å; G809-K903 WeakPolarHBondContact O-CG 3.38Å; K903-E905 PolarHBondContact O-N 3.29Å; K903-E905 VanDerWaalsContact O-N 3.14Å
904	D	82.8	Confident	88.1	Confident	86 Å²	86	36.5 Å²	36.5	46%	0.46	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	8.2	-176.6	-73.2	-72.5	0	0	0	114.7	N807 K808	N807-D904 VanDerWaalsContact O-CA 3.24Å; N807-D904 WeakPolarHBondContact O-CA 3.28Å; N807-D904 PolarHBondContact O-N 2.95Å; K808-D904 VanDerWaalsContact CD-OD1 3.25Å; K808-D904 WeakPolarHBondContact CD-OD1 3.41Å; K808-D904 IonicContact NZ-OD1 2.69Å; K808-D904 PolarHBondContact NZ-OD1 2.95Å
905	E	86.8	Confident	88	Confident	43 Å²	43	36.5 Å²	36.5	20%	0.201	20%	0.203	C	C	.	.			trans	-81.8	134.6	178.5	-174.7	171.9	-154.9	0	0	112.2	N807 R845 Q901 L902 K903	N807-E905 PolarHBondContact N-O 3.08Å; R845-E905 IonicContact CZ-OE1 3.73Å; R845-E905 IonicContact NH1-OE1 2.77Å; R845-E905 PolarHBondContact NH1-OE1 3.02Å; R845-E905 IonicContact NH2-OE1 2.91Å; R845-E905 PolarHBondContact NH2-OE1 2.85Å; Q901-E905 PolarHBondContact NE2-O 2.84Å; L902-E905 HydrophobicContact CB-CB 4.1Å; L902-E905 WeakPolarHBondContact CB-OE2 3.29Å; L902-E905 PolarHBondContact N-OE2 3.5Å; L902-E905 WeakPolarHBondContact O-CB 3.14Å; L902-E905 PolarHBondContact O-N 2.92Å; K903-E905 PolarHBondContact O-N 3.29Å; K903-E905 VanDerWaalsContact O-N 3.14Å
906	A	86.6	Confident	87.9	Confident	36 Å²	36	34.8 Å²	34.8	30%	0.298	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133	179.4	0	0	0	0	0	111.1	Q804 A805 I806	Q804-A906 HydrophobicContact CG-CB 3.84Å; A805-A906 WeakPolarHBondContact O-CA 3.42Å; I806-A906 HydrophobicContact CB-CB 4.47Å; I806-A906 HydrophobicContact CD1-CB 4.31Å; I806-A906 HydrophobicContact CG1-CB 3.82Å; I806-A906 HydrophobicContact CG2-CB 4.3Å
907	L	89.8	Confident	87.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.4	171.8	-69.1	178.5	0	0	0	110.4	Q804 A805 L898 Q901	Q804-L907 WeakPolarHBondContact CA-O 3.42Å; A805-L907 PolarHBondContact N-O 3.21Å; A805-L907 PolarHBondContact O-N 2.84Å; L898-L907 HydrophobicContact CB-CD1 4.04Å; L898-L907 HydrophobicContact CD1-CB 4.35Å; L898-L907 HydrophobicContact CD1-CD1 4.48Å; L898-L907 HydrophobicContact CD2-CB 4.37Å; L898-L907 HydrophobicContact CD2-CD1 4.32Å; Q901-L907 HydrophobicContact CG-CD1 3.55Å; Q901-L907 HydrophobicContact CG-CG 3.94Å
908	N	90.4	Very high	87.3	Confident	48 Å²	48	33.3 Å²	33.3	26%	0.257	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	146	178.1	-61.5	-10.7	0	0	0	111.6	F803 Q804 V841 S842	F803-N908 CarbonylContact O-C 3.55Å; F803-N908 VanDerWaalsContact O-CA 3.31Å; F803-N908 WeakPolarHBondContact O-CA 3.35Å; Q804-N908 WeakPolarHBondContact CG-OD1 3.5Å; Q804-N908 PolarHBondContact NE2-OD1 2.81Å; V841-N908 WeakPolarHBondContact CA-O 3.19Å; S842-N908 PolarHBondContact N-O 2.87Å
909	I	91.4	Very high	87	Confident	1 Å²	1	33 Å²	33	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	114.4	172.4	-55.2	168.2	0	0	0	107.2	T802 F803 V818 I820 Q840 V841 C896 L898 L911	T802-I909 CarbonylContact C-O 3.56Å; T802-I909 WeakPolarHBondContact CA-O 3.48Å; F803-I909 HydrophobicContact CB-CB 4.38Å; F803-I909 PolarHBondContact N-O 3.48Å; F803-I909 PolarHBondContact O-N 3.25Å; V818-I909 HydrophobicContact CB-CD1 3.71Å; V818-I909 HydrophobicContact CG1-CD1 3.98Å; V818-I909 HydrophobicContact CG2-CD1 3.82Å; I820-I909 HydrophobicContact CD1-CG2 4.17Å; Q840-I909 CarbonylContact O-C 3.59Å; Q840-I909 WeakPolarHBondContact O-CA 3.46Å; V841-I909 HydrophobicContact CG2-CG1 4.46Å; C896-I909 HydrophobicContact CB-CD1 3.95Å; C896-I909 HydrophobicContact CB-CG2 4.42Å; L898-I909 HydrophobicContact CD1-CD1 4.49Å; L898-I909 HydrophobicContact CD2-CD1 4.12Å; L898-I909 HydrophobicContact CD2-CG1 4.03Å; I909-L911 HydrophobicContact CG2-CD2 4.22Å; I909-L911 HydrophobicContact CG2-CG 4.5Å
910	D	90.9	Very high	87	Confident	54 Å²	54	32.1 Å²	32.1	29%	0.289	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.3	-179.6	-72.4	-64.4	0	0	0	110.8	T802 T839 Q840	T802-D910 VanDerWaalsContact CB-OD1 3.32Å; T802-D910 WeakPolarHBondContact CB-OD1 3.29Å; T802-D910 VanDerWaalsContact CG2-OD1 3.23Å; T802-D910 WeakPolarHBondContact CG2-OD1 2.98Å; T802-D910 PolarHBondContact OG1-OD1 3.07Å; T839-D910 WeakPolarHBondContact CA-O 3.35Å; Q840-D910 PolarHBondContact N-O 3.23Å; Q840-D910 PolarHBondContact O-N 2.74Å
911	L	90.4	Very high	86.6	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	121.8	179.1	-54.6	178	0	0	0	110.1	N800 L801 F803 I820 T839 I894 I909	N800-L911 WeakPolarHBondContact CA-O 3.4Å; L801-L911 HydrophobicContact CB-CB 4.38Å; L801-L911 PolarHBondContact N-O 3.38Å; L801-L911 PolarHBondContact O-N 3.34Å; F803-L911 HydrophobicContact CE2-CD1 4.31Å; I820-L911 HydrophobicContact CD1-CD1 3.82Å; I820-L911 HydrophobicContact CG2-CD1 4Å; T839-L911 HydrophobicContact CG2-CD2 3.55Å; I894-L911 HydrophobicContact CD1-CD1 4.3Å; I894-L911 HydrophobicContact CD1-CD2 4.48Å; I894-L911 HydrophobicContact CG2-CD2 4.4Å; I909-L911 HydrophobicContact CG2-CD2 4.22Å; I909-L911 HydrophobicContact CG2-CG 4.5Å
912	K	89.9	Confident	86.1	Confident	82 Å²	82	35.9 Å²	35.9	36%	0.357	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.7	174.2	-59.4	-178.4	-168.5	160.4	0	109.6	V837 E838	V837-K912 HydrophobicContact CB-CB 4.36Å; V837-K912 PolarHBondContact N-O 2.04Å; E838-K912 HydrophobicContact CB-CB 4.25Å; E838-K912 HydrophobicContact CB-CD 4.21Å; E838-K912 HydrophobicContact CB-CG 4.45Å; E838-K912 PolarHBondContact O-N 3.26Å; E838-K912 WeakPolarHBondContact OE2-CD 3.39Å; E838-K912 WeakPolarHBondContact OE2-CE 3.45Å; E838-K912 IonicContact OE2-NZ 3.47Å; E838-K912 PolarHBondContact OE2-NZ 3.38Å
913	L	89.6	Confident	85.7	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145.1	-177	-53.9	-178.4	0	0	0	111.2	P798 L799 L801 I822 F834 V836 M892	P798-L913 WeakPolarHBondContact CA-O 3.45Å; L799-L913 HydrophobicContact CB-CB 4.37Å; L799-L913 PolarHBondContact N-O 3.37Å; L799-L913 PolarHBondContact O-N 2.9Å; L801-L913 HydrophobicContact CD1-CD1 3.73Å; L801-L913 HydrophobicContact CD1-CG 4.27Å; I822-L913 HydrophobicContact CD1-CD1 3.97Å; F834-L913 HydrophobicContact CD1-CB 4.26Å; F834-L913 HydrophobicContact CD1-CD1 4.12Å; V836-L913 HydrophobicContact CB-CD2 4.17Å; V836-L913 HydrophobicContact CG1-CD2 4.1Å; V836-L913 HydrophobicContact CG2-CD2 3.8Å; M892-L913 HydrophobicContact CE-CD2 4.42Å
914	L	88.6	Confident	85.1	Confident	11 Å²	11	29.7 Å²	29.7	6%	0.058	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118	167.6	-73.3	174.8	0	0	0	109.2	I787 L789 F796 P798 F834 H835 V837	I787-L914 HydrophobicContact CB-CD2 4.32Å; I787-L914 HydrophobicContact CD1-CD2 4.03Å; I787-L914 HydrophobicContact CG2-CD2 4.49Å; L789-L914 HydrophobicContact CD1-CD1 4.2Å; L789-L914 HydrophobicContact CD2-CD1 4Å; L789-L914 HydrophobicContact CG-CD1 4.35Å; F796-L914 HydrophobicContact CB-CB 4.01Å; F796-L914 HydrophobicContact CB-CD2 3.94Å; F796-L914 HydrophobicContact CB-CG 4.4Å; F796-L914 HydrophobicContact CD1-CB 3.93Å; F796-L914 HydrophobicContact CG-CB 4.23Å; P798-L914 HydrophobicContact CB-CD2 4.24Å; F834-L914 CarbonylContact C-O 3.54Å; F834-L914 WeakPolarHBondContact CA-O 3.4Å; H835-L914 HydrophobicContact CB-CB 4.43Å; H835-L914 PolarHBondContact N-O 3.18Å; H835-L914 PolarHBondContact O-N 3.13Å; V837-L914 HydrophobicContact CG2-CB 4.38Å; V837-L914 HydrophobicContact CG2-CD1 3.52Å; V837-L914 HydrophobicContact CG2-CG 3.59Å
915	L	88.8	Confident	85	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	113.5	178.6	170.9	53.1	0	0	0	110.1	F775 F796 Q797 L799 M833 F834 T917 L920 F930 F957	F775-L915 HydrophobicContact CE1-CD2 3.94Å; F775-L915 HydrophobicContact CZ-CD2 3.63Å; F775-L915 HydrophobicContact CZ-CG 4.48Å; F796-L915 CarbonylContact C-O 3.51Å; F796-L915 WeakPolarHBondContact CA-O 3.25Å; Q797-L915 HydrophobicContact CB-CB 4.36Å; Q797-L915 PolarHBondContact N-O 3.01Å; Q797-L915 PolarHBondContact O-N 3.08Å; L799-L915 HydrophobicContact CD1-CB 3.88Å; L799-L915 HydrophobicContact CD1-CD2 3.8Å; M833-L915 HydrophobicContact CB-CD1 3.75Å; F834-L915 HydrophobicContact CD1-CB 3.95Å; F834-L915 HydrophobicContact CD1-CD1 4.2Å; F834-L915 HydrophobicContact CE1-CB 3.79Å; F834-L915 HydrophobicContact CE1-CD1 3.85Å; F834-L915 HydrophobicContact CE1-CD2 3.88Å; F834-L915 HydrophobicContact CE1-CG 4.05Å; F834-L915 HydrophobicContact CE2-CD1 4.26Å; F834-L915 HydrophobicContact CZ-CD1 3.87Å; F834-L915 HydrophobicContact CZ-CD2 4.05Å; F834-L915 HydrophobicContact CZ-CG 4.4Å; L915-T917 PolarHBondContact O-N 2.8Å; L915-T917 VanDerWaalsContact O-N 3.17Å; L915-L920 HydrophobicContact CD1-CD1 4.5Å; L915-L920 HydrophobicContact CD2-CD1 4.21Å; L915-L920 HydrophobicContact CG-CD1 4.31Å; L915-F930 HydrophobicContact CD2-CE1 4.44Å; L915-F930 HydrophobicContact CD2-CE2 4.42Å; L915-F930 HydrophobicContact CD2-CZ 4.04Å; L915-F957 HydrophobicContact CD2-CE2 4.21Å
916	N	87.3	Confident	84.6	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	108.9	178.3	177.1	-8.3	0	0	0	110.6	F796 M833 P856 T858 E918 I919	F796-N916 HydrophobicContact CD1-CB 3.92Å; F796-N916 HydrophobicContact CE1-CB 3.75Å; M833-N916 PolarHBondContact O-N 3.48Å; P856-N916 PolarHBondContact O-ND2 3.19Å; T858-N916 PolarHBondContact N-ND2 2.73Å; T858-N916 PolarHBondContact O-ND2 3.13Å; N916-E918 VanDerWaalsContact C-N 3.35Å; N916-E918 WeakPolarHBondContact OD1-CB 3.28Å; N916-E918 PolarHBondContact OD1-N 3.11Å; N916-E918 VanDerWaalsContact OD1-N 3.09Å; N916-I919 HydrophobicContact CB-CD1 4.05Å; N916-I919 HydrophobicContact CB-CG1 4.5Å; N916-I919 WeakPolarHBondContact ND2-CD1 3.28Å
917	T	85.6	Confident	84.6	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-79.1	-17.2	-174.2	67.4	0	0	0	0	113.1	F775 F786 N795 Q797 L915 I919 L920 K921	F775-T917 HydrophobicContact CE2-CG2 4.12Å; F786-T917 HydrophobicContact CD1-CG2 4.03Å; F786-T917 HydrophobicContact CE1-CG2 3.89Å; N795-T917 PolarHBondContact O-N 3.34Å; N795-T917 PolarHBondContact O-OG1 2.77Å; Q797-T917 HydrophobicContact CB-CG2 3.87Å; L915-T917 PolarHBondContact O-N 2.8Å; L915-T917 VanDerWaalsContact O-N 3.17Å; T917-I919 VanDerWaalsContact C-N 3.29Å; T917-I919 PolarHBondContact O-N 2.84Å; T917-L920 WeakPolarHBondContact O-CB 3.42Å; T917-L920 PolarHBondContact O-N 3.48Å; T917-L920 VanDerWaalsContact O-N 3.11Å; T917-K921 PolarHBondContact O-N 2.91Å
918	E	82.6	Confident	84.4	Confident	30 Å²	30	25.9 Å²	25.9	14%	0.14	14%	0.141	C	C	.	.	H	α-helix	trans	-66.5	-31.1	175.1	-56.7	-56.9	140.4	0	0	111.8	C794 N795 N916 L920 K921	C794-E918 HydrophobicContact CB-CG 4.37Å; N795-E918 PolarHBondContact ND2-OE1 3.2Å; N916-E918 VanDerWaalsContact C-N 3.35Å; N916-E918 WeakPolarHBondContact OD1-CB 3.28Å; N916-E918 PolarHBondContact OD1-N 3.11Å; N916-E918 VanDerWaalsContact OD1-N 3.09Å; E918-L920 VanDerWaalsContact C-N 3.28Å; E918-L920 PolarHBondContact O-N 3.02Å; E918-K921 PolarHBondContact O-N 3.47Å; E918-K921 WeakPolarHBondContact OE1-CE 3.45Å; E918-K921 IonicContact OE1-NZ 3.39Å; E918-K921 PolarHBondContact OE1-NZ 3.49Å; E918-K921 WeakPolarHBondContact OE2-CD 3.46Å; E918-K921 VanDerWaalsContact OE2-CE 3.32Å; E918-K921 WeakPolarHBondContact OE2-CE 3.48Å; E918-K921 IonicContact OE2-NZ 3.58Å; E918-K921 PolarHBondContact OE2-NZ 2.84Å
919	I	83.3	Confident	84.4	Confident	1 Å²	1	25 Å²	25	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-68.9	-28.6	173.7	-62.3	167.4	0	0	0	111.3	L826 P831 D832 M833 P860 N916 T917 K921 I922	L826-I919 WeakPolarHBondContact CD2-O 3.34Å; P831-I919 HydrophobicContact CB-CD1 4.02Å; P831-I919 HydrophobicContact CG-CD1 3.79Å; P831-I919 HydrophobicContact CG-CG1 3.96Å; P831-I919 HydrophobicContact CG-CG2 4.12Å; D832-I919 WeakPolarHBondContact O-CD1 3.42Å; M833-I919 HydrophobicContact CG-CB 4.5Å; M833-I919 HydrophobicContact CG-CG2 3.88Å; M833-I919 HydrophobicContact SD-CG2 4.41Å; P860-I919 HydrophobicContact CG-CG1 4.39Å; N916-I919 HydrophobicContact CB-CD1 4.05Å; N916-I919 HydrophobicContact CB-CG1 4.5Å; N916-I919 WeakPolarHBondContact ND2-CD1 3.28Å; T917-I919 VanDerWaalsContact C-N 3.29Å; T917-I919 PolarHBondContact O-N 2.84Å; I919-K921 VanDerWaalsContact C-N 3.35Å; I919-I922 HydrophobicContact CG2-CD1 4.44Å; I919-I922 WeakPolarHBondContact O-CD1 3.49Å; I919-I922 WeakPolarHBondContact O-CG1 3.46Å
920	L	83.7	Confident	84.3	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-75.8	-23.4	178.7	-52.6	-178.7	0	0	0	112.5	F775 Y777 M833 L915 T917 E918 I922 D923 I928 F930 A959	F775-L920 HydrophobicContact CE2-CD1 4.39Å; F775-L920 HydrophobicContact CZ-CD1 4.03Å; Y777-L920 HydrophobicContact CD1-CD1 4.41Å; Y777-L920 HydrophobicContact CD2-CB 3.82Å; Y777-L920 HydrophobicContact CE1-CB 4.33Å; Y777-L920 HydrophobicContact CE1-CD1 4.45Å; Y777-L920 VanDerWaalsContact CE2-C 3.49Å; Y777-L920 HydrophobicContact CE2-CB 3.39Å; Y777-L920 WeakPolarHBondContact CE2-O 3.44Å; Y777-L920 HydrophobicContact CG-CB 4.47Å; Y777-L920 HydrophobicContact CG-CD1 4.46Å; Y777-L920 PolarHBondContact OH-O 3.21Å; M833-L920 HydrophobicContact SD-CD2 3.91Å; L915-L920 HydrophobicContact CD1-CD1 4.5Å; L915-L920 HydrophobicContact CD2-CD1 4.21Å; L915-L920 HydrophobicContact CG-CD1 4.31Å; T917-L920 WeakPolarHBondContact O-CB 3.42Å; T917-L920 PolarHBondContact O-N 3.48Å; T917-L920 VanDerWaalsContact O-N 3.11Å; E918-L920 VanDerWaalsContact C-N 3.28Å; E918-L920 PolarHBondContact O-N 3.02Å; L920-I922 PolarHBondContact O-N 3.15Å; L920-D923 PolarHBondContact O-N 3.22Å; L920-D923 VanDerWaalsContact O-N 3.17Å; L920-I928 HydrophobicContact CB-CD1 4.3Å; L920-I928 HydrophobicContact CD2-CD1 4.11Å; L920-F930 HydrophobicContact CD2-CZ 4.02Å; L920-A959 HydrophobicContact CD1-CB 4.09Å
921	K	76.9	Confident	84.3	Confident	56 Å²	56	23 Å²	23	24%	0.243	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.5	-179.8	-66.1	179.8	-170	173.9	0	114.3	Y777 N779 T917 E918 I919 D923	Y777-K921 HydrophobicContact CD2-CG 4.26Å; Y777-K921 HydrophobicContact CE2-CG 4.41Å; N779-K921 WeakPolarHBondContact OD1-CE 3.22Å; N779-K921 PolarHBondContact OD1-NZ 3.14Å; T917-K921 PolarHBondContact O-N 2.91Å; E918-K921 PolarHBondContact O-N 3.47Å; E918-K921 WeakPolarHBondContact OE1-CE 3.45Å; E918-K921 IonicContact OE1-NZ 3.39Å; E918-K921 PolarHBondContact OE1-NZ 3.49Å; E918-K921 WeakPolarHBondContact OE2-CD 3.46Å; E918-K921 VanDerWaalsContact OE2-CE 3.32Å; E918-K921 WeakPolarHBondContact OE2-CE 3.48Å; E918-K921 IonicContact OE2-NZ 3.58Å; E918-K921 PolarHBondContact OE2-NZ 2.84Å; I919-K921 VanDerWaalsContact C-N 3.35Å; K921-D923 PolarHBondContact O-N 2.71Å
922	I	75.5	Confident	84.3	Confident	81 Å²	81	22.9 Å²	22.9	42%	0.415	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.7	171.6	-39.4	167.8	0	0	0	110.7	P860 I919 L920	P860-I922 HydrophobicContact CB-CD1 3.73Å; P860-I922 HydrophobicContact CB-CG1 3.86Å; P860-I922 HydrophobicContact CG-CD1 3.46Å; P860-I922 VanDerWaalsContact CG-CD1 3.46Å; P860-I922 HydrophobicContact CG-CG1 3.66Å; I919-I922 HydrophobicContact CG2-CD1 4.44Å; I919-I922 WeakPolarHBondContact O-CD1 3.49Å; I919-I922 WeakPolarHBondContact O-CG1 3.46Å; L920-I922 PolarHBondContact O-N 3.15Å
923	D	76	Confident	84.3	Confident	23 Å²	23	22.1 Å²	22.1	12%	0.123	12%	0.119	C	C	.	.			trans	-86.7	131.7	-172.5	-144.2	-73	0	0	0	112.4	L826 K880 L920 K921 S925 I928	L826-D923 HydrophobicContact CD2-CB 4.2Å; K880-D923 VanDerWaalsContact CD-OD2 3.29Å; K880-D923 WeakPolarHBondContact CD-OD2 3.45Å; K880-D923 WeakPolarHBondContact CE-OD2 3.31Å; K880-D923 IonicContact NZ-OD2 3.66Å; K880-D923 PolarHBondContact NZ-OD2 3.38Å; L920-D923 PolarHBondContact O-N 3.22Å; L920-D923 VanDerWaalsContact O-N 3.17Å; K921-D923 PolarHBondContact O-N 2.71Å; D923-S925 VanDerWaalsContact C-N 3.28Å; D923-S925 PolarHBondContact O-N 2.83Å; D923-S925 WeakPolarHBondContact OD1-CB 3.43Å; D923-S925 PolarHBondContact OD1-N 3.3Å; D923-S925 PolarHBondContact OD1-OG 2.85Å; D923-I928 HydrophobicContact CB-CD1 4.02Å
924	S	70.4	Confident	84.2	Confident	64 Å²	64	22 Å²	22	45%	0.448	12%	0.118	S	C	.	.			trans	-86.4	5.2	175.7	59.2	0	0	0	0	113.9	S877	S877-S924 WeakPolarHBondContact CB-O 3.43Å; S877-S924 PolarHBondContact OG-O 3.45Å
925	S	79.9	Confident	84.2	Confident	17 Å²	17	21.9 Å²	21.9	12%	0.119	12%	0.118	C	C	.	.			trans	-65.8	146.1	172.7	-60.1	0	0	0	0	112	S877 G878 K880 D923 H961	S877-S925 VanDerWaalsContact OG-C 3.3Å; G878-S925 CarbonylContact O-C 3.59Å; G878-S925 VanDerWaalsContact O-CA 3.31Å; G878-S925 WeakPolarHBondContact O-CA 3.29Å; G878-S925 VanDerWaalsContact O-CB 3.27Å; G878-S925 WeakPolarHBondContact O-CB 3.32Å; K880-S925 WeakPolarHBondContact CB-OG 3.27Å; D923-S925 VanDerWaalsContact C-N 3.28Å; D923-S925 PolarHBondContact O-N 2.83Å; D923-S925 WeakPolarHBondContact OD1-CB 3.43Å; D923-S925 PolarHBondContact OD1-N 3.3Å; D923-S925 PolarHBondContact OD1-OG 2.85Å; S925-H961 WeakPolarHBondContact O-CB 3.42Å
926	S	79.8	Confident	84.2	Confident	44 Å²	44	22.3 Å²	22.3	31%	0.308	12%	0.121	S	C	.	.	S	Bend	trans	-82.2	-28	178.6	45.4	0	0	0	0	111.6	S877 G878 H961	S877-S926 PolarHBondContact O-OG 3.5Å; S877-S926 WeakPolarHBondContact OG-CA 3.42Å; S877-S926 VanDerWaalsContact OG-CB 3.31Å; S877-S926 WeakPolarHBondContact OG-CB 3.4Å; S877-S926 PolarHBondContact OG-N 2.71Å; G878-S926 PolarHBondContact O-N 2.86Å; G878-S926 PolarHBondContact O-OG 3.13Å; S926-H961 PolarHBondContact O-N 3.18Å
927	V	84.9	Confident	84.1	Confident	25 Å²	25	27.1 Å²	27.1	15%	0.152	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	127.9	177.9	-177.8	0	0	0	0	109.5	R879 K880 E958 A959 L960	R879-V927 CarbonylContact C-O 3.51Å; R879-V927 VanDerWaalsContact CA-O 3.32Å; R879-V927 WeakPolarHBondContact CA-O 3.32Å; R879-V927 HydrophobicContact CB-CB 4.26Å; R879-V927 HydrophobicContact CG-CB 3.98Å; R879-V927 HydrophobicContact CG-CG1 4.09Å; K880-V927 PolarHBondContact N-O 3.48Å; V927-E958 HydrophobicContact CG1-CB 4.09Å; V927-E958 HydrophobicContact CG1-CG 4.4Å; V927-A959 WeakPolarHBondContact CA-O 3.35Å; V927-L960 HydrophobicContact CB-CD2 4.39Å; V927-L960 HydrophobicContact CG1-CD2 4.02Å; V927-L960 HydrophobicContact CG2-CD2 3.72Å
928	I	87.6	Confident	83.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.3	167.2	-54.1	175	0	0	0	108	Y777 L826 K880 L882 L920 D923 F930 E958 A959	Y777-I928 WeakPolarHBondContact OH-CD1 3.36Å; L826-I928 HydrophobicContact CD1-CD1 4.1Å; K880-I928 CarbonylContact O-C 3.41Å; K880-I928 WeakPolarHBondContact O-CA 3.25Å; L882-I928 HydrophobicContact CD1-CG2 3.76Å; L882-I928 HydrophobicContact CG-CG2 4.17Å; L920-I928 HydrophobicContact CB-CD1 4.3Å; L920-I928 HydrophobicContact CD2-CD1 4.11Å; D923-I928 HydrophobicContact CB-CD1 4.02Å; I928-F930 HydrophobicContact CB-CE2 4.08Å; I928-F930 HydrophobicContact CG2-CD2 4.27Å; I928-F930 HydrophobicContact CG2-CE2 3.63Å; I928-F930 HydrophobicContact CG2-CZ 3.79Å; I928-E958 WeakPolarHBondContact O-CA 3.42Å; I928-A959 HydrophobicContact CB-CB 4.38Å; I928-A959 PolarHBondContact N-O 2.87Å; I928-A959 PolarHBondContact O-N 2.86Å
929	Q	89.3	Confident	83.5	Confident	30 Å²	30	31 Å²	31	14%	0.14	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.7	178.8	-176.3	-178.8	24.6	0	0	109.8	K880 V881 L882 V956 E958	K880-Q929 PolarHBondContact O-N 2.9Å; V881-Q929 WeakPolarHBondContact CA-O 3.09Å; V881-Q929 HydrophobicContact CG2-CB 4.4Å; L882-Q929 PolarHBondContact N-O 2.89Å; Q929-V956 HydrophobicContact CG-CG1 3.87Å; Q929-E958 HydrophobicContact CB-CG 4.39Å; Q929-E958 HydrophobicContact CG-CG 4.22Å
930	F	90	Very high	82.8	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135	178.9	-60.4	-105.2	0	0	0	109.6	P823 M833 F834 L882 L915 L920 I928 V956 F957 A959	P823-F930 HydrophobicContact CG-CD1 4.39Å; M833-F930 HydrophobicContact CE-CE1 3.74Å; F834-F930 HydrophobicContact CE2-CD1 4.18Å; F834-F930 HydrophobicContact CE2-CE1 4.09Å; F834-F930 AromaticContact CZ-CD1 3.81Å; F834-F930 HydrophobicContact CZ-CD1 3.81Å; F834-F930 AromaticContact CZ-CE1 3.8Å; F834-F930 HydrophobicContact CZ-CE1 3.8Å; L882-F930 HydrophobicContact CD1-CD1 3.97Å; L882-F930 HydrophobicContact CD1-CE1 3.72Å; L882-F930 HydrophobicContact CD1-CZ 4.23Å; L915-F930 HydrophobicContact CD2-CE1 4.44Å; L915-F930 HydrophobicContact CD2-CE2 4.42Å; L915-F930 HydrophobicContact CD2-CZ 4.04Å; L920-F930 HydrophobicContact CD2-CZ 4.02Å; I928-F930 HydrophobicContact CB-CE2 4.08Å; I928-F930 HydrophobicContact CG2-CD2 4.27Å; I928-F930 HydrophobicContact CG2-CE2 3.63Å; I928-F930 HydrophobicContact CG2-CZ 3.79Å; F930-V956 WeakPolarHBondContact O-CA 3.48Å; F930-F957 HydrophobicContact CB-CD1 3.98Å; F930-F957 HydrophobicContact CB-CD2 4.13Å; F930-F957 HydrophobicContact CB-CE1 3.59Å; F930-F957 HydrophobicContact CB-CE2 3.73Å; F930-F957 HydrophobicContact CB-CG 4.25Å; F930-F957 HydrophobicContact CB-CZ 3.45Å; F930-F957 VanDerWaalsContact CB-CZ 3.45Å; F930-F957 HydrophobicContact CD1-CE2 4.19Å; F930-F957 HydrophobicContact CD1-CZ 4Å; F930-F957 AromaticContact CD2-CD2 3.87Å; F930-F957 HydrophobicContact CD2-CD2 3.87Å; F930-F957 AromaticContact CD2-CE2 3.47Å; F930-F957 HydrophobicContact CD2-CE2 3.47Å; F930-F957 VanDerWaalsContact CD2-CE2 3.47Å; F930-F957 HydrophobicContact CD2-CZ 4.04Å; F930-F957 HydrophobicContact CE2-CE2 4.09Å; F930-F957 HydrophobicContact CG-CD2 4.2Å; F930-F957 HydrophobicContact CG-CE1 4.25Å; F930-F957 AromaticContact CG-CE2 3.54Å; F930-F957 HydrophobicContact CG-CE2 3.54Å; F930-F957 AromaticContact CG-CZ 3.58Å; F930-F957 HydrophobicContact CG-CZ 3.58Å; F930-F957 PolarHBondContact N-O 2.82Å; F930-F957 PolarHBondContact O-N 3.03Å; F930-F957 VanDerWaalsContact O-N 3.14Å; F930-A959 HydrophobicContact CE2-CB 3.98Å
931	V	90.6	Very high	82	Confident	12 Å²	12	46.6 Å²	46.6	7%	0.073	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.8	174.4	-174.1	0	0	0	0	108.3	P823 V881 L882 D883 L955 V956	P823-V931 VanDerWaalsContact CD-O 3.26Å; P823-V931 WeakPolarHBondContact CD-O 3.36Å; V881-V931 HydrophobicContact CG1-CG2 4.18Å; L882-V931 PolarHBondContact O-N 3.18Å; D883-V931 HydrophobicContact CB-CB 3.9Å; D883-V931 HydrophobicContact CB-CG1 4.5Å; D883-V931 HydrophobicContact CB-CG2 4.12Å; V931-L955 WeakPolarHBondContact CA-O 3.46Å; V931-V956 HydrophobicContact CG1-CG2 4.49Å; V931-V956 HydrophobicContact CG2-CG2 4.38Å
932	T	89.9	Confident	82	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.2	174.2	-63	0	0	0	0	108.7	L801 F803 I820 R821 I822 S954 L955	L801-T932 HydrophobicContact CD2-CG2 3.84Å; F803-T932 HydrophobicContact CZ-CG2 4.05Å; I820-T932 HydrophobicContact CG2-CG2 3.94Å; R821-T932 WeakPolarHBondContact O-CA 3.37Å; I822-T932 HydrophobicContact CG1-CG2 3.52Å; T932-S954 CarbonylContact O-C 3.53Å; T932-S954 VanDerWaalsContact O-CA 3.31Å; T932-S954 WeakPolarHBondContact O-CA 3.26Å; T932-L955 PolarHBondContact N-O 2.03Å; T932-L955 PolarHBondContact O-N 3.14Å
933	R	89.4	Confident	82.1	Confident	66 Å²	66	44.6 Å²	44.6	25%	0.249	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.2	-178.9	-66.9	170.4	-178.8	-99.9	2.1	111.3	I820 R821 D883 D885 I953	I820-R933 CarbonylContact C-O 3.57Å; I820-R933 WeakPolarHBondContact CA-O 3.44Å; R821-R933 PolarHBondContact N-O 3.45Å; R821-R933 PolarHBondContact O-N 2.86Å; D883-R933 IonicContact OD1-CZ 2.82Å; D883-R933 IonicContact OD1-NE 3.95Å; D883-R933 PolarHBondContact OD1-NE 3.47Å; D883-R933 IonicContact OD1-NH2 3.74Å; D883-R933 PolarHBondContact OD1-NH2 2.62Å; D883-R933 IonicContact OD2-CZ 3.68Å; D883-R933 IonicContact OD2-NE 2.7Å; D883-R933 IonicContact OD2-NH2 3.82Å; D883-R933 PolarHBondContact OD2-NH2 2.84Å; D885-R933 WeakPolarHBondContact OD1-CD 3.43Å; D885-R933 IonicContact OD1-NE 3.52Å; D885-R933 WeakPolarHBondContact OD2-CD 3.48Å; D885-R933 IonicContact OD2-CZ 3.94Å; D885-R933 IonicContact OD2-NE 3.79Å; D885-R933 PolarHBondContact OD2-NE 2.8Å; D885-R933 VanDerWaalsContact OD2-NE 3.12Å; D885-R933 IonicContact OD2-NH1 3.7Å; D885-R933 PolarHBondContact OD2-NH1 2.78Å; D885-R933 IonicContact OD2-NH2 3.23Å; D885-R933 PolarHBondContact OD2-NH2 3.1Å; R933-I953 CarbonylContact C-O 3.57Å; R933-I953 VanDerWaalsContact CA-O 3.3Å; R933-I953 WeakPolarHBondContact CA-O 3.23Å
934	G	89.1	Confident	81.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.6	175.2	0	0	0	0	0	111	D819 D952 I953	D819-G934 CarbonylContact O-C 3.51Å; D819-G934 VanDerWaalsContact O-CA 3.29Å; D819-G934 WeakPolarHBondContact O-CA 3.26Å; G934-D952 WeakPolarHBondContact O-CA 3.3Å; G934-I953 PolarHBondContact N-O 3.25Å; G934-I953 PolarHBondContact O-N 3Å
935	S	88.6	Confident	82.1	Confident	9 Å²	9	45.4 Å²	45.4	6%	0.063	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134.1	-177.4	67.1	0	0	0	0	111.7	V818 D819 R821 D952	V818-S935 WeakPolarHBondContact CA-O 3.46Å; D819-S935 WeakPolarHBondContact CB-OG 3.5Å; D819-S935 PolarHBondContact N-O 3.26Å; D819-S935 PolarHBondContact O-N 2.94Å; R821-S935 PolarHBondContact NH2-OG 3.12Å; S935-D952 WeakPolarHBondContact CB-OD1 3.41Å
936	V	87.8	Confident	81.3	Confident	10 Å²	10	48.6 Å²	48.6	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	148.5	177.5	-171.3	0	0	0	0	111.3	I766 A805 T817 V818 E951	I766-V936 HydrophobicContact CB-CG2 3.67Å; I766-V936 HydrophobicContact CD1-CG2 3.94Å; I766-V936 HydrophobicContact CG1-CG2 4.26Å; I766-V936 HydrophobicContact CG2-CG2 4.14Å; A805-V936 HydrophobicContact CB-CG2 4.4Å; T817-V936 CarbonylContact O-C 3.53Å; V818-V936 HydrophobicContact CG2-CG2 4.28Å; V936-E951 PolarHBondContact N-O 3.18Å
937	Q	84.9	Confident	80.4	Confident	101 Å²	101	52.7 Å²	52.7	47%	0.472	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	132.6	171.8	-65.1	174.6	26.9	0	0	110.7	S816 T817	S816-Q937 CarbonylContact C-O 3.45Å; S816-Q937 WeakPolarHBondContact CA-O 3.08Å; S816-Q937 WeakPolarHBondContact CB-O 3.05Å; T817-Q937 PolarHBondContact N-O 2.86Å; T817-Q937 PolarHBondContact O-N 3.16Å
938	V	82.8	Confident	79	Confident	33 Å²	33	55 Å²	55	20%	0.2	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	144.8	-179.1	168.4	0	0	0	0	112.2	T764 L813 A942 E944	T764-V938 HydrophobicContact CG2-CG2 3.59Å; L813-V938 HydrophobicContact CD1-CB 4.48Å; L813-V938 HydrophobicContact CD1-CG1 3.84Å; L813-V938 HydrophobicContact CD1-CG2 3.97Å; V938-A942 HydrophobicContact CG1-CB 3.64Å; V938-E944 WeakPolarHBondContact CG2-OE2 3.18Å
939	N	73.9	Confident	77.6	Confident	80 Å²	80	60.5 Å²	60.5	43%	0.428	32%	0.322	S	S	.	.			trans	-72.4	143.7	179.6	-173.5	-3.9	0	0	0	112.2	G815 R941 A942	G815-N939 WeakPolarHBondContact O-CB 3.41Å; N939-R941 PolarHBondContact O-N 2.87Å; N939-A942 PolarHBondContact O-N 2.7Å
940	H	67.9	Low	76.3	Confident	188 Å²	188	63.1 Å²	63.1	87%	0.87	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-12.4	-174.2	-55.6	-50.2	0	0	0	117.2
941	R	67.8	Low	75.1	Confident	139 Å²	139	67.4 Å²	67.4	53%	0.525	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-5.6	173.4	-78.6	-173	161.7	-159	-13.5	114.3	D730 P814 N939	D730-R941 IonicContact OD1-CZ 3.94Å; D730-R941 IonicContact OD1-NH2 3.43Å; D730-R941 PolarHBondContact OD1-NH2 2.79Å; D730-R941 IonicContact OD2-NH2 2.83Å; P814-R941 HydrophobicContact CG-CB 4.49Å; N939-R941 PolarHBondContact O-N 2.87Å
942	A	75.4	Confident	74.5	Confident	11 Å²	11	71.5 Å²	71.5	9%	0.091	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	149.4	174.9	0	0	0	0	0	111	H760 T762 L813 V938 N939	H760-A942 HydrophobicContact CB-CB 3.79Å; H760-A942 CarbonylContact O-C 3.48Å; H760-A942 VanDerWaalsContact O-CA 3.27Å; H760-A942 WeakPolarHBondContact O-CA 3.49Å; T762-A942 HydrophobicContact CG2-CB 4.19Å; L813-A942 HydrophobicContact CD1-CB 4.46Å; V938-A942 HydrophobicContact CG1-CB 3.64Å; N939-A942 PolarHBondContact O-N 2.7Å
943	I	77.9	Confident	74.3	Confident	85 Å²	85	73.3 Å²	73.3	44%	0.436	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.3	174.6	-61.3	-175	0	0	0	108.2	I759 H760 T762 V945	I759-I943 HydrophobicContact CD1-CD1 4.09Å; I759-I943 HydrophobicContact CG2-CB 4.41Å; I759-I943 HydrophobicContact CG2-CD1 3.88Å; I759-I943 HydrophobicContact CG2-CG1 3.87Å; H760-I943 PolarHBondContact O-N 3.03Å; T762-I943 PolarHBondContact N-O 2.71Å; I943-V945 HydrophobicContact CG2-CG2 4.34Å
944	E	72.5	Confident	74.1	Confident	50 Å²	50	73.3 Å²	73.3	23%	0.234	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.9	173.2	-159.1	107.5	-122.2	0	0	110	T762 T764 V938	T762-E944 CarbonylContact O-C 3.24Å; T762-E944 WeakPolarHBondContact O-CA 3.43Å; T764-E944 VanDerWaalsContact CB-OE1 3.31Å; T764-E944 WeakPolarHBondContact CB-OE1 3.4Å; T764-E944 WeakPolarHBondContact CG2-OE1 3.42Å; T764-E944 PolarHBondContact N-OE1 2.92Å; T764-E944 PolarHBondContact OG1-OE1 3.45Å; V938-E944 WeakPolarHBondContact CG2-OE2 3.18Å
945	V	74.1	Confident	74.1	Confident	53 Å²	53	73.9 Å²	73.9	32%	0.321	41%	0.405	S	S	.	.			trans	-125	81.9	-179.8	-173.3	0	0	0	0	108.4	E761 T762 I943 N947	E761-V945 HydrophobicContact CB-CG2 4.34Å; E761-V945 HydrophobicContact CG-CG2 4.5Å; T762-V945 PolarHBondContact O-N 2.8Å; I943-V945 HydrophobicContact CG2-CG2 4.34Å; V945-N947 PolarHBondContact O-N 3.09Å; V945-N947 PolarHBondContact O-ND2 3.27Å
946	P	62.5	Low	74.2	Confident	84 Å²	84	76.5 Å²	76.5	55%	0.545	42%	0.421	S	S	.	.			trans	-70.3	124.5	-164	26	-35.2	0	0	0	112.9
947	N	60.7	Low	74.3	Confident	131 Å²	131	76.1 Å²	76.1	70%	0.701	42%	0.418	S	S	*	.			trans	-96.4	13.9	176.4	-66.3	-70.2	0	0	0	114.2	D763 V945	D763-N947 PolarHBondContact OD1-N 2.82Å; D763-N947 PolarHBondContact OD2-ND2 3.34Å; V945-N947 PolarHBondContact O-N 3.09Å; V945-N947 PolarHBondContact O-ND2 3.27Å
948	G	56.5	Low	74.6	Confident	72 Å²	72	73.4 Å²	73.4	74%	0.742	41%	0.406	S	S	*	.	S	Bend	trans	101.2	20.5	166	0	0	0	0	0	117
949	L	58.1	Low	74.8	Confident	117 Å²	117	71.8 Å²	71.8	61%	0.613	40%	0.396	S	S	*	.			trans	-98.2	152.9	164.6	-74.3	168.1	0	0	0	110.2	T765	T765-L949 HydrophobicContact CG2-CB 3.73Å; T765-L949 HydrophobicContact CG2-CD1 3.85Å; T765-L949 HydrophobicContact CG2-CG 4.45Å
950	P	60.8	Low	75.3	Confident	84 Å²	84	71.1 Å²	71.1	55%	0.545	39%	0.392	S	S	.	.			trans	-77.9	136	-177.4	30.7	-34.4	0	0	0	112.9	D952	P950-D952 PolarHBondContact O-N 3.16Å
951	E	65.1	Low	76	Confident	90 Å²	90	64 Å²	64	42%	0.421	36%	0.359	S	S	.	.	S	Bend	trans	-75.2	-13.2	173	-66.6	156	-154.1	0	0	112.9	I766 V936	I766-E951 VanDerWaalsContact CG2-O 3.31Å; I766-E951 WeakPolarHBondContact CG2-O 3.3Å; V936-E951 PolarHBondContact N-O 3.18Å
952	D	78.9	Confident	76.4	Confident	98 Å²	98	59.6 Å²	59.6	52%	0.524	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.7	-179.7	-86	-22.8	0	0	0	112	G934 S935 P950	G934-D952 WeakPolarHBondContact O-CA 3.3Å; S935-D952 WeakPolarHBondContact CB-OD1 3.41Å; P950-D952 PolarHBondContact O-N 3.16Å
953	I	85.1	Confident	75.8	Confident	39 Å²	39	64.8 Å²	64.8	20%	0.2	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145.3	167.3	-171.8	165.3	0	0	0	112.7	I766 F803 R933 G934 L955	I766-I953 HydrophobicContact CB-CG2 4.49Å; I766-I953 HydrophobicContact CD1-CG2 4.16Å; I766-I953 HydrophobicContact CG1-CG2 3.97Å; I766-I953 HydrophobicContact CG2-CB 4.18Å; I766-I953 HydrophobicContact CG2-CG2 3.88Å; F803-I953 HydrophobicContact CD1-CG2 4.08Å; F803-I953 HydrophobicContact CE1-CG2 4.04Å; R933-I953 CarbonylContact C-O 3.57Å; R933-I953 VanDerWaalsContact CA-O 3.3Å; R933-I953 WeakPolarHBondContact CA-O 3.23Å; G934-I953 PolarHBondContact N-O 3.25Å; G934-I953 PolarHBondContact O-N 3Å; I953-L955 HydrophobicContact CD1-CD2 4.01Å; I953-L955 HydrophobicContact CG1-CD2 4.16Å
954	S	86.6	Confident	74.8	Confident	66 Å²	66	66.5 Å²	66.5	46%	0.462	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	120.4	170.7	64.8	0	0	0	0	112.2	T932	T932-S954 CarbonylContact O-C 3.53Å; T932-S954 VanDerWaalsContact O-CA 3.31Å; T932-S954 WeakPolarHBondContact O-CA 3.26Å
955	L	88.9	Confident	73.9	Confident	12 Å²	12	70.1 Å²	70.1	6%	0.063	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	144.6	171.5	-52.7	-173.4	0	0	0	110.4	G768 V770 F803 V931 T932 I953	G768-L955 VanDerWaalsContact C-CD2 3.44Å; G768-L955 VanDerWaalsContact O-CD2 3.3Å; G768-L955 WeakPolarHBondContact O-CD2 3.44Å; V770-L955 HydrophobicContact CG1-CB 4.38Å; F803-L955 HydrophobicContact CD1-CD1 4.31Å; F803-L955 HydrophobicContact CE1-CD1 3.67Å; F803-L955 HydrophobicContact CE1-CG 3.97Å; F803-L955 HydrophobicContact CE2-CD1 3.93Å; F803-L955 HydrophobicContact CZ-CD1 3.45Å; F803-L955 VanDerWaalsContact CZ-CD1 3.45Å; F803-L955 HydrophobicContact CZ-CG 4.04Å; V931-L955 WeakPolarHBondContact CA-O 3.46Å; T932-L955 PolarHBondContact N-O 2.03Å; T932-L955 PolarHBondContact O-N 3.14Å; I953-L955 HydrophobicContact CD1-CD2 4.01Å; I953-L955 HydrophobicContact CG1-CD2 4.16Å
956	V	89.3	Confident	72.8	Confident	63 Å²	63	74.5 Å²	74.5	38%	0.382	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	131.9	-170.9	179.8	0	0	0	0	110.6	V770 Q929 F930 V931	V770-V956 WeakPolarHBondContact CG1-O 3.34Å; Q929-V956 HydrophobicContact CG-CG1 3.87Å; F930-V956 WeakPolarHBondContact O-CA 3.48Å; V931-V956 HydrophobicContact CG1-CG2 4.49Å; V931-V956 HydrophobicContact CG2-CG2 4.38Å
957	F	90.9	Very high	72.2	Confident	2 Å²	2	72.8 Å²	72.8	1%	0.009	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	161.1	173.2	66.4	-87.9	0	0	0	112.5	V770 G773 F775 L799 F834 L915 F930	V770-F957 HydrophobicContact CG1-CB 4.07Å; V770-F957 HydrophobicContact CG1-CD1 4.41Å; V770-F957 HydrophobicContact CG2-CB 4.2Å; V770-F957 HydrophobicContact CG2-CD1 3.83Å; V770-F957 HydrophobicContact CG2-CG 4.2Å; G773-F957 WeakPolarHBondContact O-CA 3.44Å; G773-F957 WeakPolarHBondContact O-CB 3.48Å; F775-F957 HydrophobicContact CE1-CD2 4.46Å; L799-F957 HydrophobicContact CD1-CD2 4.26Å; L799-F957 HydrophobicContact CD1-CE2 3.54Å; L799-F957 HydrophobicContact CD1-CZ 3.74Å; L799-F957 HydrophobicContact CD2-CD2 4.07Å; L799-F957 HydrophobicContact CD2-CE2 4.18Å; F834-F957 HydrophobicContact CE1-CZ 4.03Å; F834-F957 AromaticContact CZ-CZ 3.87Å; F834-F957 HydrophobicContact CZ-CZ 3.87Å; L915-F957 HydrophobicContact CD2-CE2 4.21Å; F930-F957 HydrophobicContact CB-CD1 3.98Å; F930-F957 HydrophobicContact CB-CD2 4.13Å; F930-F957 HydrophobicContact CB-CE1 3.59Å; F930-F957 HydrophobicContact CB-CE2 3.73Å; F930-F957 HydrophobicContact CB-CG 4.25Å; F930-F957 HydrophobicContact CB-CZ 3.45Å; F930-F957 VanDerWaalsContact CB-CZ 3.45Å; F930-F957 HydrophobicContact CD1-CE2 4.19Å; F930-F957 HydrophobicContact CD1-CZ 4Å; F930-F957 AromaticContact CD2-CD2 3.87Å; F930-F957 HydrophobicContact CD2-CD2 3.87Å; F930-F957 AromaticContact CD2-CE2 3.47Å; F930-F957 HydrophobicContact CD2-CE2 3.47Å; F930-F957 VanDerWaalsContact CD2-CE2 3.47Å; F930-F957 HydrophobicContact CD2-CZ 4.04Å; F930-F957 HydrophobicContact CE2-CE2 4.09Å; F930-F957 HydrophobicContact CG-CD2 4.2Å; F930-F957 HydrophobicContact CG-CE1 4.25Å; F930-F957 AromaticContact CG-CE2 3.54Å; F930-F957 HydrophobicContact CG-CE2 3.54Å; F930-F957 AromaticContact CG-CZ 3.58Å; F930-F957 HydrophobicContact CG-CZ 3.58Å; F930-F957 PolarHBondContact N-O 2.82Å; F930-F957 PolarHBondContact O-N 3.03Å; F930-F957 VanDerWaalsContact O-N 3.14Å
958	E	90.2	Very high	71.7	Confident	44 Å²	44	75.7 Å²	75.7	21%	0.206	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.5	-171.8	-53.8	-154.8	130.9	0	0	114.5	G773 S774 F775 R879 V927 I928 Q929	G773-E958 PolarHBondContact O-N 2.99Å; G773-E958 VanDerWaalsContact O-N 3.09Å; S774-E958 CarbonylContact C-O 3.32Å; S774-E958 WeakPolarHBondContact CA-O 3.37Å; S774-E958 WeakPolarHBondContact CB-O 3.47Å; F775-E958 PolarHBondContact N-O 3.04Å; R879-E958 IonicContact CZ-OE1 3.81Å; R879-E958 VanDerWaalsContact CZ-OE1 3.22Å; R879-E958 IonicContact NE-OE1 3.52Å; R879-E958 PolarHBondContact NE-OE1 3.28Å; R879-E958 IonicContact NH2-OE1 2.7Å; R879-E958 PolarHBondContact NH2-OE1 2.63Å; V927-E958 HydrophobicContact CG1-CB 4.09Å; V927-E958 HydrophobicContact CG1-CG 4.4Å; I928-E958 WeakPolarHBondContact O-CA 3.42Å; Q929-E958 HydrophobicContact CB-CG 4.39Å; Q929-E958 HydrophobicContact CG-CG 4.22Å
959	A	86.6	Confident	71.5	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	117.8	169.7	0	0	0	0	0	109.6	F775 Y777 L920 V927 I928 F930	F775-A959 HydrophobicContact CD1-CB 4.42Å; F775-A959 HydrophobicContact CE1-CB 3.66Å; F775-A959 HydrophobicContact CE2-CB 3.95Å; F775-A959 HydrophobicContact CZ-CB 3.38Å; F775-A959 CarbonylContact O-C 3.5Å; F775-A959 WeakPolarHBondContact O-CA 3.48Å; Y777-A959 HydrophobicContact CD1-CB 3.77Å; Y777-A959 HydrophobicContact CE1-CB 3.72Å; L920-A959 HydrophobicContact CD1-CB 4.09Å; V927-A959 WeakPolarHBondContact CA-O 3.35Å; I928-A959 HydrophobicContact CB-CB 4.38Å; I928-A959 PolarHBondContact N-O 2.87Å; I928-A959 PolarHBondContact O-N 2.86Å; F930-A959 HydrophobicContact CE2-CB 3.98Å
960	L	86.1	Confident	71.4	Confident	66 Å²	66	72.9 Å²	72.9	35%	0.346	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	118.5	-176.3	-54.7	176.7	0	0	0	110.2	F775 S776 Y777 V927 S962	F775-L960 PolarHBondContact O-N 3.31Å; S776-L960 CarbonylContact C-O 3.15Å; S776-L960 VanDerWaalsContact CA-O 3.22Å; S776-L960 WeakPolarHBondContact CA-O 3.45Å; Y777-L960 WeakPolarHBondContact CD1-O 3.5Å; Y777-L960 PolarHBondContact N-O 3.12Å; V927-L960 HydrophobicContact CB-CD2 4.39Å; V927-L960 HydrophobicContact CG1-CD2 4.02Å; V927-L960 HydrophobicContact CG2-CD2 3.72Å; L960-S962 PolarHBondContact O-N 2.76Å
961	H	81.9	Confident	71.1	Confident	39 Å²	39	70.7 Å²	70.7	18%	0.181	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116	-174.5	-170.2	37.6	0	0	0	111.9	Y777 S925 S926 Q963	Y777-H961 AromaticContact CD2-ND1 3.86Å; Y777-H961 HydrophobicContact CE1-CB 3.85Å; Y777-H961 HydrophobicContact CE2-CB 4.37Å; Y777-H961 AromaticContact CE2-ND1 3.36Å; Y777-H961 WeakPolarHBondContact CE2-ND1 3.47Å; Y777-H961 AromaticContact CZ-CG 3.82Å; Y777-H961 AromaticContact CZ-ND1 3.64Å; Y777-H961 CarbonylContact O-C 3.53Å; Y777-H961 WeakPolarHBondContact O-CA 3.49Å; Y777-H961 PolarHBondContact O-ND1 3.27Å; Y777-H961 VanDerWaalsContact O-ND1 3.17Å; S925-H961 WeakPolarHBondContact O-CB 3.42Å; S926-H961 PolarHBondContact O-N 3.18Å; H961-Q963 PolarHBondContact CD2-NE2 2.71Å; H961-Q963 VanDerWaalsContact NE2-CG 3.31Å; H961-Q963 WeakPolarHBondContact NE2-CG 3.37Å; H961-Q963 PolarHBondContact NE2-NE2 3.38Å
962	S	75.4	Confident	70.8	Confident	45 Å²	45	74.5 Å²	74.5	32%	0.315	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	109.1	176.7	-166.3	0	0	0	0	110.3	Y777 G778 S780 L960	Y777-S962 PolarHBondContact O-N 3.01Å; G778-S962 WeakPolarHBondContact CA-O 3.22Å; S780-S962 VanDerWaalsContact OG-CB 3.24Å; S780-S962 WeakPolarHBondContact OG-CB 3.43Å; S780-S962 PolarHBondContact OG-O 3.13Å; S780-S962 VanDerWaalsContact OG-O 3.13Å; S780-S962 PolarHBondContact OG-OG 2.93Å; L960-S962 PolarHBondContact O-N 2.76Å
963	Q	64.2	Low	70.1	Confident	120 Å²	120	73.6 Å²	73.6	56%	0.561	39%	0.387	S	S	*	.			trans	-101.7	128.2	175.4	-66.3	-172.7	-12.9	0	0	110	H961	H961-Q963 PolarHBondContact CD2-NE2 2.71Å; H961-Q963 VanDerWaalsContact NE2-CG 3.31Å; H961-Q963 WeakPolarHBondContact NE2-CG 3.37Å; H961-Q963 PolarHBondContact NE2-NE2 3.38Å
964	E	56.5	Low	68.9	Low	122 Å²	122	76.2 Å²	76.2	57%	0.57	40%	0.4	S	S	*	.			trans	-60.9	137.5	158.1	-64.3	-168.7	135.9	0	0	108.9	R966	E964-R966 PolarHBondContact O-N 3.3Å
965	P	53.9	Low	67.6	Low	125 Å²	125	75.2 Å²	75.2	81%	0.812	40%	0.396	S	S	*	.			trans	-62.3	105.2	165.2	27	-31.7	0	0	0	107.3	G967	P965-G967 PolarHBondContact O-N 2.91Å
966	R	49.9	Very low	66.9	Low	146 Å²	146	78.8 Å²	78.8	55%	0.551	42%	0.415	S	S	*	.			trans	-64.1	78.3	-174.1	-76.7	-171.1	175.7	-164.6	0.4	111.6	E864 E964 Y968 V969 V970	E864-R966 IonicContact OE1-NH1 3.11Å; E964-R966 PolarHBondContact O-N 3.3Å; R966-Y968 PolarHBondContact O-N 2.7Å; R966-V969 HydrophobicContact CB-CG2 4.22Å; R966-V969 PolarHBondContact O-N 2.73Å; R966-V970 PolarHBondContact O-N 3.13Å
967	G	49.4	Very low	65.8	Low	48 Å²	48	79.4 Å²	79.4	50%	0.495	42%	0.422	S	S	.	.	H	α-helix	trans	-59.6	-11.2	176.1	0	0	0	0	0	113.5	P965 V970 G971	P965-G967 PolarHBondContact O-N 2.91Å; G967-V970 CarbonylContact O-C 3.49Å; G967-V970 WeakPolarHBondContact O-CB 3.5Å; G967-V970 PolarHBondContact O-N 2.95Å; G967-G971 PolarHBondContact O-N 3.47Å
968	Y	50.5	Low	64.4	Low	191 Å²	191	83.4 Å²	83.4	75%	0.749	44%	0.443	S	S	*	.	H	α-helix	trans	-74.9	-32.5	170.3	-136	-90.1	0	0	0	113.4	R966 G971 W972	R966-Y968 PolarHBondContact O-N 2.7Å; Y968-G971 CarbonylContact O-C 3.57Å; Y968-G971 VanDerWaalsContact O-CA 3.28Å; Y968-G971 WeakPolarHBondContact O-CA 3.02Å; Y968-G971 PolarHBondContact O-N 2.91Å; Y968-G971 VanDerWaalsContact O-N 3.12Å; Y968-W972 PolarHBondContact O-N 3.45Å
969	V	53.8	Low	63.6	Low	56 Å²	56	86.6 Å²	86.6	34%	0.339	46%	0.46	S	S	.	.	H	α-helix	trans	-77.2	-31.6	169.7	-171.2	0	0	0	0	109.6	R966 G971 W972 I973	R966-V969 HydrophobicContact CB-CG2 4.22Å; R966-V969 PolarHBondContact O-N 2.73Å; V969-G971 PolarHBondContact O-N 2.79Å; V969-W972 CarbonylContact O-C 3.58Å; V969-W972 PolarHBondContact O-N 2.88Å; V969-I973 HydrophobicContact CG1-CD1 3.77Å; V969-I973 HydrophobicContact CG1-CG1 4.14Å; V969-I973 VanDerWaalsContact O-CB 3.26Å; V969-I973 WeakPolarHBondContact O-CB 3.14Å; V969-I973 WeakPolarHBondContact O-CG1 3.13Å; V969-I973 PolarHBondContact O-N 2.64Å
970	V	56.1	Low	63	Low	74 Å²	74	90.2 Å²	90.2	45%	0.448	48%	0.482	S	S	.	.	H	α-helix	trans	-61.7	-33.8	161.7	-176.6	0	0	0	0	110.3	R966 G967 I973 I974	R966-V970 PolarHBondContact O-N 3.13Å; G967-V970 CarbonylContact O-C 3.49Å; G967-V970 WeakPolarHBondContact O-CB 3.5Å; G967-V970 PolarHBondContact O-N 2.95Å; V970-I973 PolarHBondContact O-N 2.86Å; V970-I974 HydrophobicContact CG1-CD1 3.56Å; V970-I974 HydrophobicContact CG1-CG1 3.8Å; V970-I974 WeakPolarHBondContact O-CA 3.32Å; V970-I974 WeakPolarHBondContact O-CB 3.31Å; V970-I974 VanDerWaalsContact O-CG1 3.23Å; V970-I974 WeakPolarHBondContact O-CG1 3.23Å; V970-I974 PolarHBondContact O-N 3.13Å
971	G	53.4	Low	62.4	Low	38 Å²	38	88.2 Å²	88.2	39%	0.392	48%	0.478	S	S	.	.	H	α-helix	trans	-57.7	-49.8	169.9	0	0	0	0	0	112.3	G967 Y968 V969 A975	G967-G971 PolarHBondContact O-N 3.47Å; Y968-G971 CarbonylContact O-C 3.57Å; Y968-G971 VanDerWaalsContact O-CA 3.28Å; Y968-G971 WeakPolarHBondContact O-CA 3.02Å; Y968-G971 PolarHBondContact O-N 2.91Å; Y968-G971 VanDerWaalsContact O-N 3.12Å; V969-G971 PolarHBondContact O-N 2.79Å; G971-A975 WeakPolarHBondContact O-CA 3.42Å; G971-A975 WeakPolarHBondContact O-CB 3.25Å; G971-A975 PolarHBondContact O-N 2.96Å
972	W	59.5	Low	61.7	Low	170 Å²	170	89.2 Å²	89.2	64%	0.644	48%	0.484	S	S	*	.	H	α-helix	trans	-78.5	-23.7	177.4	-74.9	92.2	0	0	0	114.7	Y968 V969 A975 I976	Y968-W972 PolarHBondContact O-N 3.45Å; V969-W972 CarbonylContact O-C 3.58Å; V969-W972 PolarHBondContact O-N 2.88Å; W972-A975 CarbonylContact O-C 3.45Å; W972-I976 WeakPolarHBondContact O-CB 3.06Å; W972-I976 WeakPolarHBondContact O-CD1 3.47Å; W972-I976 WeakPolarHBondContact O-CG1 3.28Å; W972-I976 PolarHBondContact O-N 3.16Å
973	I	64.5	Low	61.6	Low	80 Å²	80	91.8 Å²	91.8	41%	0.41	49%	0.494	S	S	.	.	H	α-helix	trans	-87.8	-29.2	176.2	-68.6	177.5	0	0	0	111.3	V969 V970 S977	V969-I973 HydrophobicContact CG1-CD1 3.77Å; V969-I973 HydrophobicContact CG1-CG1 4.14Å; V969-I973 VanDerWaalsContact O-CB 3.26Å; V969-I973 WeakPolarHBondContact O-CB 3.14Å; V969-I973 WeakPolarHBondContact O-CG1 3.13Å; V969-I973 PolarHBondContact O-N 2.64Å; V970-I973 PolarHBondContact O-N 2.86Å; I973-S977 WeakPolarHBondContact O-CA 3.2Å; I973-S977 WeakPolarHBondContact O-CB 3.22Å; I973-S977 PolarHBondContact O-N 3.31Å; I973-S977 PolarHBondContact O-OG 3.23Å
974	I	59.9	Low	61.9	Low	93 Å²	93	91 Å²	91	48%	0.477	49%	0.492	S	S	.	.	H	α-helix	trans	-67.9	-44.2	159.1	-70.4	-178.7	0	0	0	107.6	V970 I976 S977 L978	V970-I974 HydrophobicContact CG1-CD1 3.56Å; V970-I974 HydrophobicContact CG1-CG1 3.8Å; V970-I974 WeakPolarHBondContact O-CA 3.32Å; V970-I974 WeakPolarHBondContact O-CB 3.31Å; V970-I974 VanDerWaalsContact O-CG1 3.23Å; V970-I974 WeakPolarHBondContact O-CG1 3.23Å; V970-I974 PolarHBondContact O-N 3.13Å; I974-I976 VanDerWaalsContact C-N 3.28Å; I974-I976 PolarHBondContact O-N 3.2Å; I974-S977 CarbonylContact O-C 3.34Å; I974-S977 PolarHBondContact O-N 3.26Å; I974-L978 HydrophobicContact CG2-CD1 3.35Å; I974-L978 WeakPolarHBondContact O-CA 3.36Å; I974-L978 WeakPolarHBondContact O-CB 3.35Å; I974-L978 WeakPolarHBondContact O-CD1 3.31Å; I974-L978 PolarHBondContact O-N 3.41Å
975	A	58.8	Low	62.6	Low	45 Å²	45	90.4 Å²	90.4	37%	0.372	49%	0.488	S	S	.	.	H	α-helix	trans	-63.5	-30.5	176.1	0	0	0	0	0	112.9	G971 W972 L978 L979	G971-A975 WeakPolarHBondContact O-CA 3.42Å; G971-A975 WeakPolarHBondContact O-CB 3.25Å; G971-A975 PolarHBondContact O-N 2.96Å; W972-A975 CarbonylContact O-C 3.45Å; A975-L978 CarbonylContact O-C 3.59Å; A975-L979 WeakPolarHBondContact O-CA 3.36Å; A975-L979 WeakPolarHBondContact O-CB 3.25Å; A975-L979 PolarHBondContact O-N 2.84Å
976	I	74.8	Confident	63	Low	88 Å²	88	85.1 Å²	85.1	45%	0.451	45%	0.453	S	S	.	.	H	α-helix	trans	-89.5	-28.9	176.1	-72.6	165.3	0	0	0	112.4	W972 I974 L978 L979 V980	W972-I976 WeakPolarHBondContact O-CB 3.06Å; W972-I976 WeakPolarHBondContact O-CD1 3.47Å; W972-I976 WeakPolarHBondContact O-CG1 3.28Å; W972-I976 PolarHBondContact O-N 3.16Å; I974-I976 VanDerWaalsContact C-N 3.28Å; I974-I976 PolarHBondContact O-N 3.2Å; I976-L978 VanDerWaalsContact C-N 3.25Å; I976-L979 VanDerWaalsContact C-N 3.27Å; I976-L979 PolarHBondContact O-N 3.36Å; I976-V980 HydrophobicContact CG2-CG2 4.32Å; I976-V980 WeakPolarHBondContact O-CA 3.07Å; I976-V980 WeakPolarHBondContact O-CB 3.49Å; I976-V980 WeakPolarHBondContact O-CG2 3.49Å; I976-V980 PolarHBondContact O-N 3.3Å
977	S	66.1	Low	63.7	Low	76 Å²	76	84.8 Å²	84.8	53%	0.531	46%	0.461	S	S	.	.	H	α-helix	trans	-83.3	-6.9	169.7	-51.7	0	0	0	0	111.9	I973 I974 G981	I973-S977 WeakPolarHBondContact O-CA 3.2Å; I973-S977 WeakPolarHBondContact O-CB 3.22Å; I973-S977 PolarHBondContact O-N 3.31Å; I973-S977 PolarHBondContact O-OG 3.23Å; I974-S977 CarbonylContact O-C 3.34Å; I974-S977 PolarHBondContact O-N 3.26Å; S977-G981 WeakPolarHBondContact O-CA 3.26Å; S977-G981 PolarHBondContact O-N 2.61Å
978	L	60.6	Low	64	Low	86 Å²	86	87.9 Å²	87.9	45%	0.45	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-8.4	153	-80.3	119.6	0	0	0	112	I974 A975 I976 I982	I974-L978 HydrophobicContact CG2-CD1 3.35Å; I974-L978 WeakPolarHBondContact O-CA 3.36Å; I974-L978 WeakPolarHBondContact O-CB 3.35Å; I974-L978 WeakPolarHBondContact O-CD1 3.31Å; I974-L978 PolarHBondContact O-N 3.41Å; A975-L978 CarbonylContact O-C 3.59Å; I976-L978 VanDerWaalsContact C-N 3.25Å; L978-I982 HydrophobicContact CB-CD1 3.81Å; L978-I982 HydrophobicContact CB-CG1 4.05Å; L978-I982 HydrophobicContact CD2-CD1 3.63Å; L978-I982 HydrophobicContact CD2-CG1 3.88Å; L978-I982 HydrophobicContact CG-CD1 4.33Å; L978-I982 HydrophobicContact CG-CG1 4.46Å; L978-I982 WeakPolarHBondContact O-CA 3.09Å; L978-I982 WeakPolarHBondContact O-CB 3.32Å; L978-I982 VanDerWaalsContact O-CD1 3.26Å; L978-I982 WeakPolarHBondContact O-CD1 3.44Å; L978-I982 WeakPolarHBondContact O-CG1 3.29Å; L978-I982 PolarHBondContact O-N 2.54Å
979	L	74.2	Confident	64.3	Low	110 Å²	110	78.9 Å²	78.9	58%	0.576	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-38	170	-152.3	143.8	0	0	0	109.4	A975 I976 I982 L983	A975-L979 WeakPolarHBondContact O-CA 3.36Å; A975-L979 WeakPolarHBondContact O-CB 3.25Å; A975-L979 PolarHBondContact O-N 2.84Å; I976-L979 VanDerWaalsContact C-N 3.27Å; I976-L979 PolarHBondContact O-N 3.36Å; L979-I982 CarbonylContact O-C 3.59Å; L979-L983 HydrophobicContact CD2-CD1 4.33Å; L979-L983 WeakPolarHBondContact O-CA 3.39Å; L979-L983 WeakPolarHBondContact O-CB 3.24Å; L979-L983 PolarHBondContact O-N 2.98Å
980	V	74.5	Confident	64.3	Low	76 Å²	76	82.2 Å²	82.2	46%	0.461	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-30.2	162.7	-179.4	0	0	0	0	110.5	I976 I982 L983 I984	I976-V980 HydrophobicContact CG2-CG2 4.32Å; I976-V980 WeakPolarHBondContact O-CA 3.07Å; I976-V980 WeakPolarHBondContact O-CB 3.49Å; I976-V980 WeakPolarHBondContact O-CG2 3.49Å; I976-V980 PolarHBondContact O-N 3.3Å; V980-I982 VanDerWaalsContact C-N 3.34Å; V980-L983 CarbonylContact O-C 3.47Å; V980-L983 PolarHBondContact O-N 3.1Å; V980-I984 HydrophobicContact CG1-CD1 3.97Å; V980-I984 HydrophobicContact CG1-CG1 4.34Å; V980-I984 WeakPolarHBondContact O-CB 3.31Å; V980-I984 VanDerWaalsContact O-CG1 3.24Å; V980-I984 WeakPolarHBondContact O-CG1 3.33Å; V980-I984 PolarHBondContact O-N 3.47Å
981	G	73.4	Confident	63.6	Low	24 Å²	24	85.1 Å²	85.1	25%	0.247	46%	0.463	C	S	.	.	H	α-helix	trans	-74	-25	170.1	0	0	0	0	0	113.6	S977 F985	S977-G981 WeakPolarHBondContact O-CA 3.26Å; S977-G981 PolarHBondContact O-N 2.61Å; G981-F985 VanDerWaalsContact O-CA 3.23Å; G981-F985 WeakPolarHBondContact O-CA 3.11Å; G981-F985 WeakPolarHBondContact O-CB 3.42Å; G981-F985 PolarHBondContact O-N 3.48Å
982	I	66.5	Low	63.5	Low	61 Å²	61	87.4 Å²	87.4	31%	0.313	47%	0.466	S	S	.	.	H	α-helix	trans	-108.6	24.1	166.2	-44.9	159.4	0	0	0	108.3	L978 L979 V980 F985 L986	L978-I982 HydrophobicContact CB-CD1 3.81Å; L978-I982 HydrophobicContact CB-CG1 4.05Å; L978-I982 HydrophobicContact CD2-CD1 3.63Å; L978-I982 HydrophobicContact CD2-CG1 3.88Å; L978-I982 HydrophobicContact CG-CD1 4.33Å; L978-I982 HydrophobicContact CG-CG1 4.46Å; L978-I982 WeakPolarHBondContact O-CA 3.09Å; L978-I982 WeakPolarHBondContact O-CB 3.32Å; L978-I982 VanDerWaalsContact O-CD1 3.26Å; L978-I982 WeakPolarHBondContact O-CD1 3.44Å; L978-I982 WeakPolarHBondContact O-CG1 3.29Å; L978-I982 PolarHBondContact O-N 2.54Å; L979-I982 CarbonylContact O-C 3.59Å; V980-I982 VanDerWaalsContact C-N 3.34Å; I982-F985 HydrophobicContact CG2-CD1 4.45Å; I982-L986 VanDerWaalsContact C-N 3.34Å; I982-L986 HydrophobicContact CB-CG 4.35Å; I982-L986 HydrophobicContact CG2-CB 4.48Å; I982-L986 HydrophobicContact CG2-CD1 3.68Å; I982-L986 HydrophobicContact CG2-CD2 3.71Å; I982-L986 HydrophobicContact CG2-CG 3.31Å; I982-L986 WeakPolarHBondContact O-CB 3.42Å; I982-L986 WeakPolarHBondContact O-CD1 3.36Å; I982-L986 WeakPolarHBondContact O-CG 3.43Å; I982-L986 PolarHBondContact O-N 3.21Å
983	L	72.9	Confident	62.9	Low	99 Å²	99	88.8 Å²	88.8	52%	0.518	47%	0.472	S	S	.	.	H	α-helix	trans	-111.1	-30.4	152.9	-131.6	80.2	0	0	0	109.3	L979 V980 L986 L987	L979-L983 HydrophobicContact CD2-CD1 4.33Å; L979-L983 WeakPolarHBondContact O-CA 3.39Å; L979-L983 WeakPolarHBondContact O-CB 3.24Å; L979-L983 PolarHBondContact O-N 2.98Å; V980-L983 CarbonylContact O-C 3.47Å; V980-L983 PolarHBondContact O-N 3.1Å; L983-L986 CarbonylContact O-C 3.32Å; L983-L987 WeakPolarHBondContact O-CA 3.35Å; L983-L987 WeakPolarHBondContact O-CB 3.33Å; L983-L987 PolarHBondContact O-N 3.32Å
984	I	70.1	Confident	61.9	Low	103 Å²	103	93.7 Å²	93.7	53%	0.528	49%	0.49	S	S	.	.	H	α-helix	trans	-74.3	-50.9	162.5	-67.1	168.1	0	0	0	107.5	V980 L986 L987 L988	V980-I984 HydrophobicContact CG1-CD1 3.97Å; V980-I984 HydrophobicContact CG1-CG1 4.34Å; V980-I984 WeakPolarHBondContact O-CB 3.31Å; V980-I984 VanDerWaalsContact O-CG1 3.24Å; V980-I984 WeakPolarHBondContact O-CG1 3.33Å; V980-I984 PolarHBondContact O-N 3.47Å; I984-L986 VanDerWaalsContact C-N 3.28Å; I984-L986 PolarHBondContact O-N 2.79Å; I984-L987 PolarHBondContact O-N 3.26Å; I984-L988 HydrophobicContact CG2-CD1 4.1Å; I984-L988 VanDerWaalsContact O-CB 3.23Å; I984-L988 WeakPolarHBondContact O-CB 3.42Å; I984-L988 WeakPolarHBondContact O-CG 3.21Å; I984-L988 PolarHBondContact O-N 3.04Å
985	F	72.4	Confident	61.5	Low	109 Å²	109	99.5 Å²	99.5	48%	0.478	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-19.7	169.3	-169.8	-94	0	0	0	112.2	G981 I982 L988 A989 L992	G981-F985 VanDerWaalsContact O-CA 3.23Å; G981-F985 WeakPolarHBondContact O-CA 3.11Å; G981-F985 WeakPolarHBondContact O-CB 3.42Å; G981-F985 PolarHBondContact O-N 3.48Å; I982-F985 HydrophobicContact CG2-CD1 4.45Å; F985-L988 CarbonylContact O-C 3.53Å; F985-L988 VanDerWaalsContact O-C 3.32Å; F985-A989 HydrophobicContact CD1-CB 4.1Å; F985-A989 HydrophobicContact CE1-CB 4Å; F985-A989 HydrophobicContact CZ-CB 4.43Å; F985-A989 WeakPolarHBondContact O-CA 3.17Å; F985-A989 WeakPolarHBondContact O-CB 3.49Å; F985-A989 PolarHBondContact O-N 3.47Å; F985-L992 HydrophobicContact CE1-CD1 4.11Å; F985-L992 HydrophobicContact CZ-CD1 4.44Å
986	L	61.9	Low	59.7	Low	15 Å²	15	101.1 Å²	101.1	8%	0.079	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	15.5	163.1	-57.8	172.8	0	0	0	115.4	I982 L983 I984 A989 V990 L992 W993	I982-L986 VanDerWaalsContact C-N 3.34Å; I982-L986 HydrophobicContact CB-CG 4.35Å; I982-L986 HydrophobicContact CG2-CB 4.48Å; I982-L986 HydrophobicContact CG2-CD1 3.68Å; I982-L986 HydrophobicContact CG2-CD2 3.71Å; I982-L986 HydrophobicContact CG2-CG 3.31Å; I982-L986 WeakPolarHBondContact O-CB 3.42Å; I982-L986 WeakPolarHBondContact O-CD1 3.36Å; I982-L986 WeakPolarHBondContact O-CG 3.43Å; I982-L986 PolarHBondContact O-N 3.21Å; L983-L986 CarbonylContact O-C 3.32Å; I984-L986 VanDerWaalsContact C-N 3.28Å; I984-L986 PolarHBondContact O-N 2.79Å; L986-A989 CarbonylContact C-O 3.5Å; L986-A989 WeakPolarHBondContact CA-O 3.42Å; L986-A989 WeakPolarHBondContact CB-O 3.38Å; L986-A989 HydrophobicContact CD2-CB 4.12Å; L986-A989 WeakPolarHBondContact CD2-O 3.43Å; L986-A989 WeakPolarHBondContact CG-O 3.47Å; L986-A989 CarbonylContact O-C 3.19Å; L986-V990 HydrophobicContact CB-CG2 4.39Å; L986-V990 WeakPolarHBondContact O-CB 3.47Å; L986-V990 WeakPolarHBondContact O-CG2 3.35Å; L986-V990 PolarHBondContact O-N 3.1Å; L986-L992 HydrophobicContact CD2-CB 3.86Å; L986-W993 WeakPolarHBondContact CD1-O 3.49Å
987	L	63.9	Low	56.2	Low	139 Å²	139	106.7 Å²	106.7	73%	0.728	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-41	163.2	-174	152.7	0	0	0	107.3	L983 I984 A989 L991	L983-L987 WeakPolarHBondContact O-CA 3.35Å; L983-L987 WeakPolarHBondContact O-CB 3.33Å; L983-L987 PolarHBondContact O-N 3.32Å; I984-L987 PolarHBondContact O-N 3.26Å; L987-A989 PolarHBondContact O-N 2.66Å; L987-L991 WeakPolarHBondContact O-CG 3.36Å
988	L	55.5	Low	53.2	Low	112 Å²	112	112.4 Å²	112.4	59%	0.586	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-7.6	150.4	-69.3	162.8	0	0	0	113.7	I984 F985 L991	I984-L988 HydrophobicContact CG2-CD1 4.1Å; I984-L988 VanDerWaalsContact O-CB 3.23Å; I984-L988 WeakPolarHBondContact O-CB 3.42Å; I984-L988 WeakPolarHBondContact O-CG 3.21Å; I984-L988 PolarHBondContact O-N 3.04Å; F985-L988 CarbonylContact O-C 3.53Å; F985-L988 VanDerWaalsContact O-C 3.32Å; L988-L991 VanDerWaalsContact C-CD1 3.45Å; L988-L991 VanDerWaalsContact O-CB 3.31Å; L988-L991 WeakPolarHBondContact O-CB 3.23Å; L988-L991 VanDerWaalsContact O-CD1 3.32Å; L988-L991 WeakPolarHBondContact O-CD1 3.15Å
989	A	57.2	Low	50.9	Low	2 Å²	2	120.8 Å²	120.8	2%	0.017	60%	0.601	C	S	.	*	T	Hydrogen-bonded Turn	trans	-154	52.8	174.8	0	0	0	0	0	113.4	F985 L986 L987 L991 L992	F985-A989 HydrophobicContact CD1-CB 4.1Å; F985-A989 HydrophobicContact CE1-CB 4Å; F985-A989 HydrophobicContact CZ-CB 4.43Å; F985-A989 WeakPolarHBondContact O-CA 3.17Å; F985-A989 WeakPolarHBondContact O-CB 3.49Å; F985-A989 PolarHBondContact O-N 3.47Å; L986-A989 CarbonylContact C-O 3.5Å; L986-A989 WeakPolarHBondContact CA-O 3.42Å; L986-A989 WeakPolarHBondContact CB-O 3.38Å; L986-A989 HydrophobicContact CD2-CB 4.12Å; L986-A989 WeakPolarHBondContact CD2-O 3.43Å; L986-A989 WeakPolarHBondContact CG-O 3.47Å; L986-A989 CarbonylContact O-C 3.19Å; L987-A989 PolarHBondContact O-N 2.66Å; A989-L991 VanDerWaalsContact C-CA 3.41Å; A989-L991 VanDerWaalsContact CB-C 3.44Å; A989-L991 HydrophobicContact CB-CB 4.46Å; A989-L991 CarbonylContact O-C 3.54Å; A989-L992 VanDerWaalsContact CA-N 3.27Å; A989-L992 HydrophobicContact CB-CB 3.42Å; A989-L992 VanDerWaalsContact CB-CB 3.42Å; A989-L992 HydrophobicContact CB-CD1 4.16Å; A989-L992 HydrophobicContact CB-CG 3.75Å; A989-L992 CarbonylContact O-C 3.57Å; A989-L992 WeakPolarHBondContact O-CA 3.43Å; A989-L992 PolarHBondContact O-N 2.89Å
990	V	54.8	Low	49	Very low	127 Å²	127	126.2 Å²	126.2	77%	0.77	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	0.3	131.7	152.2	0	0	0	0	109.9	L986 L992	L986-V990 HydrophobicContact CB-CG2 4.39Å; L986-V990 WeakPolarHBondContact O-CB 3.47Å; L986-V990 WeakPolarHBondContact O-CG2 3.35Å; L986-V990 PolarHBondContact O-N 3.1Å; V990-L992 VanDerWaalsContact CA-N 3.31Å
991	L	40.3	Very low	46.9	Very low	134 Å²	134	130 Å²	130	70%	0.702	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn		-39.9	0	99.6	-3.4	163.3	0	0	0	122.6	L987 L988 A989	L987-L991 WeakPolarHBondContact O-CG 3.36Å; L988-L991 VanDerWaalsContact C-CD1 3.45Å; L988-L991 VanDerWaalsContact O-CB 3.31Å; L988-L991 WeakPolarHBondContact O-CB 3.23Å; L988-L991 VanDerWaalsContact O-CD1 3.32Å; L988-L991 WeakPolarHBondContact O-CD1 3.15Å; A989-L991 VanDerWaalsContact C-CA 3.41Å; A989-L991 VanDerWaalsContact CB-C 3.44Å; A989-L991 HydrophobicContact CB-CB 4.46Å; A989-L991 CarbonylContact O-C 3.54Å
992	L	51.4	Low	45.4	Very low	87 Å²	87	137.1 Å²	137.1	46%	0.455	65%	0.647	S	S	.	*				0	0	0	-60.1	-176.1	0	0	0	134	F985 L986 A989 V990	F985-L992 HydrophobicContact CE1-CD1 4.11Å; F985-L992 HydrophobicContact CZ-CD1 4.44Å; L986-L992 HydrophobicContact CD2-CB 3.86Å; A989-L992 VanDerWaalsContact CA-N 3.27Å; A989-L992 HydrophobicContact CB-CB 3.42Å; A989-L992 VanDerWaalsContact CB-CB 3.42Å; A989-L992 HydrophobicContact CB-CD1 4.16Å; A989-L992 HydrophobicContact CB-CG 3.75Å; A989-L992 CarbonylContact O-C 3.57Å; A989-L992 WeakPolarHBondContact O-CA 3.43Å; A989-L992 PolarHBondContact O-N 2.89Å; V990-L992 VanDerWaalsContact CA-N 3.31Å
993	W	46.5	Very low	44.3	Very low	199 Å²	199	141.2 Å²	141.2	75%	0.754	66%	0.658	S	S	*	*				0	0	0	-42.8	-43.6	0	0	0	137	L986	L986-W993 WeakPolarHBondContact CD1-O 3.49Å
994	K	44.9	Very low	42.5	Very low	183 Å²	183	143 Å²	143	80%	0.796	66%	0.664	S	S	*	*				0	0	0	-84.4	133.5	-167.1	74.9	0	133.4
995	M	50.8	Low	41.2	Very low	214 Å²	214	145.5 Å²	145.5	100%	1.054	68%	0.677	S	S	*	*				0	0	0	-70.8	-169.7	172.4	0	0	132.4
996	G	20	Very low	40.3	Very low	79 Å²	79	148.2 Å²	148.2	81%	0.814	70%	0.695	S	S	*	*				0	0	0	0	0	0	0	0	134.2
997	F	2.3	Very low	39.7	Very low	206 Å²	206	157 Å²	157	90%	0.904	74%	0.735	S	S	*	*				0	0	0	-97.4	116	0	0	0	133.7
998	F	3.6	Very low	38.9	Very low	195 Å²	195	155.6 Å²	155.6	86%	0.855	74%	0.744	S	S	*	*				0	0	0	46.3	-105.4	0	0	0	134.3
999	R	11.5	Very low	38.5	Very low	262 Å²	262	159.4 Å²	159.4	99%	0.989	76%	0.759	S	S	*	*				0	0	0	-97.7	-71.6	179.3	136	-2.8	135.2
1000	R	34	Very low	37.7	Very low	224 Å²	224	168.5 Å²	168.5	85%	0.845	80%	0.798	S	S	*	*				0	0	0	-137	-174.8	175.9	-125	-7.3	134.4
1001	H	30.6	Very low	36.7	Very low	155 Å²	155	169.9 Å²	169.9	72%	0.718	80%	0.801	S	S	*	*				0	0	0	91.3	142.4	0	0	0	138.9
1002	Y	42.7	Very low	36.5	Very low	175 Å²	175	173.1 Å²	173.1	69%	0.686	80%	0.804	S	S	*	*				0	0	0	-177.9	-103.6	0	0	0	138.9	E1004	Y1002-E1004 PolarHBondContact OH-OE1 3.5Å
1003	R	42.5	Very low	35.8	Very low	146 Å²	146	175.2 Å²	175.2	55%	0.551	81%	0.809	S	S	*	*				0	0	0	133.8	-64	146.7	-133.9	-10.9	131.6
1004	E	35.3	Very low	35.2	Very low	136 Å²	136	171.6 Å²	171.6	64%	0.636	80%	0.804	S	S	*	*				0	0	0	-133.2	48.7	70.4	0	0	133.7	Y1002	Y1002-E1004 PolarHBondContact OH-OE1 3.5Å
1005	I	42.7	Very low	34.8	Very low	156 Å²	156	166.7 Å²	166.7	80%	0.8	79%	0.793	S	S	*	*				0	0	0	-158.5	-107.4	0	0	0	132.5
1006	I	52.9	Low	34.2	Very low	167 Å²	167	162.7 Å²	162.7	86%	0.856	78%	0.776	S	S	*	*				0	0	0	-161.8	-114	0	0	0	131.7
1007	E	49.5	Very low	34.6	Very low	199 Å²	199	167.7 Å²	167.7	93%	0.93	78%	0.778	S	S	*	*				0	0	0	-153.1	164.2	-122.4	0	0	132.1
1008	A	49	Very low	35.8	Very low	109 Å²	109	162.6 Å²	162.6	90%	0.901	77%	0.768	S	S	*	*				0	0	0	0	0	0	0	0	133.6
1009	E	45.5	Very low	37	Very low	192 Å²	192	163.2 Å²	163.2	90%	0.897	77%	0.765	S	S	*	*				0	0	0	-122.5	-65.3	85	0	0	132.3
1010	K	41.2	Very low	37.8	Very low	193 Å²	193	155.9 Å²	155.9	84%	0.839	75%	0.746	S	S	*	*				0	0	0	171.1	-175.3	175	179.2	0	127.3
1011	N	33.2	Very low	37.7	Very low	156 Å²	156	154.3 Å²	154.3	83%	0.834	74%	0.74	S	S	*	*				0	155.5	0	-145.3	2.1	0	0	0	125.2
1012	R	37.2	Very low	37.7	Very low	202 Å²	202	153.7 Å²	153.7	76%	0.762	74%	0.739	S	S	*	*			trans	-48.6	137	155.4	-177.7	-163.8	168	107.5	2.7	112.2
1013	K	35.1	Very low	37.1	Very low	132 Å²	132	150.4 Å²	150.4	57%	0.574	73%	0.733	S	S	*	*			cis	-153.6	168.3	10.9	-115.1	173.9	174	-67.3	0	109.4
1014	D	34.2	Very low	36.6	Very low	122 Å²	122	150.7 Å²	150.7	65%	0.652	74%	0.738	S	S	*	*			cis	-119	-128.4	1.1	-139.1	-29	0	0	0	111
1015	S	36.5	Very low	36.3	Very low	80 Å²	80	149.9 Å²	149.9	56%	0.559	74%	0.739	S	S	*	*			cis	-150.5	167	-2.9	61.3	0	0	0	0	110.7
1016	D	39.4	Very low	36.3	Very low	130 Å²	130	154.5 Å²	154.5	70%	0.695	76%	0.756	S	S	*	*			trans	67.4	139.6	161.9	-44.2	-45.1	0	0	0	115.8
1017	E	27.3	Very low	35.5	Very low	185 Å²	185	153.9 Å²	153.9	86%	0.864	75%	0.751	S	S	*	*			cis	66.3	159.5	46.7	-66.8	-154.8	167.5	0	0	114.5
1018	S	27.9	Very low	34.8	Very low	98 Å²	98	151.5 Å²	151.5	69%	0.685	74%	0.742	S	S	*	*			trans	85.3	102.5	175.4	-169.7	0	0	0	0	118.8
1019	W	29.2	Very low	34	Very low	209 Å²	209	153.9 Å²	153.9	79%	0.792	73%	0.733	S	S	*	*			trans	43.2	114.3	130.9	-55.5	96.9	0	0	0	118.8
1020	D	28.6	Very low	33.3	Very low	108 Å²	108	151.6 Å²	151.6	58%	0.578	72%	0.723	S	S	*	*				79.9	155.9	67.1	-172.3	28.7	0	0	0	112.5
1021	W	30.8	Very low	32.8	Very low	190 Å²	190	149.1 Å²	149.1	72%	0.72	72%	0.716	S	S	*	*			trans	65.9	142.6	-173.5	-43.3	89.7	0	0	0	113.7
1022	M	31.2	Very low	32.8	Very low	142 Å²	142	148.6 Å²	148.6	70%	0.7	71%	0.708	S	S	*	*			cis	-144.8	140.6	-11	-110.1	169.8	153	0	0	105.9
1023	D	30.7	Very low	32.5	Very low	107 Å²	107	144.8 Å²	144.8	57%	0.572	70%	0.704	S	S	*	*				61	137.6	79.8	-162.8	31.6	0	0	0	113.7
1024	K	31.6	Very low	32.3	Very low	152 Å²	152	145.8 Å²	145.8	66%	0.661	71%	0.714	S	S	*	*			trans	71.2	149.5	168.8	-71.7	177.3	176.6	83	0	118.7
1025	D	29.2	Very low	32.1	Very low	119 Å²	119	147.8 Å²	147.8	64%	0.636	72%	0.719	S	S	*	*			cis	-149.1	-177.2	-3.3	-129.2	-32.6	0	0	0	113.6
1026	H	42.7	Very low	31.7	Very low	253 Å²	253	153.9 Å²	153.9	100%	1.171	73%	0.734	S	S	*	*			trans	-34.2	0	156.8	-71.9	-74	0	0	0	116.8

Retrieved 1,026 of 1,026 residues in 1699.3 ms (Link to these results)

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