A0A087XB01_POEFO Loading...

dipeptidyl-peptidase IV

AlphaFold DB , UniProt , Accession A0A087XB01, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 884 aa.

						>A0A087XB01_POEFO|A0A087XB01
MNRGKKVKRCEKKEGITKSCWTVSMMAVDGLWDNTEVVEMGDVPSQFFVEKHSWEGLRDIIHCSRKYSGMIANKAPHDFQFVQKTDENGPHSHRLYYLGMPYGSRENSLLYSEIPKKVRKEALLVLSWKQMLDHFQATPHQGAYSREEELLRERKRLGAFGITSYDYHYKMGLFLFQASNSLFYCQDGGNNGFISAPVKPVEIKSQCSGTRMDPKICPGHPDFIAFINNNDLWIANIKTGEERRLTYCHKGLDNVKEDPRSAGVATFVIQEEFDRFTGYWWSPSAAADPDGGKTLHLLYEEVDETEVEIIHVPSPALEERKADAYRYPRTGSKNPQATLKLAEIKTDHQGKIISTQDKELVVPFSTLFPRTEYMARAGWTIDGKYGWAVLLDRSQKKLQLVLLPPALFIPITEDSTLRQDSLEAVPSCTQPYIIYEETTDVWINVHDIFYPFIQTTEDEFTFIWVNESKTGFSHLYKITSLLQPGYHHWAEEYHHVEGNFKCAIKEEVTLTSGEWEVLSRHGSKIWVNEGTKLVYFQGTRDTPLEHHLYVVSYESPGDVVRLTKPGFSHCCSVSQNFDFFVSHYSNVSTPPCVHLYKLTSLEDDPLRVVPEFWASLMEPPGCPGDYNPPEIFDFPGKSGFQLYGMVYKPHNLQPGRKHPTVLFVYGGPQVQLVNNSFKGMKYLRLNTLASLGYAVVVIDGRGSCQRGLEFEGALKNKMGQVEIEDQVEGLQYVAEKFNFVDLSRVAIHGWSYGGFLSLMGLIQRPNIFKLAIAGAPVTVWMAYDTGYTERYMDVPENNQQGYEEGSVALHVDKLPSEPNRLLILHGFLDENVHFFHTNFLVSQIIRAGKPYQLQVYPNERHSIRCPESGEHYEIMLLHFLQQYL
					

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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	30.9	Very low	28.3	Very low	247 Å²	247	175.3 Å²	175.3	100%	1.217	86%	0.858	S	S	*	*				0	118.7	0	-89.6	164.5	170.8	0	0	108.8
2	N	30	Very low	28.2	Very low	149 Å²	149	175.9 Å²	175.9	80%	0.797	85%	0.853	S	S	*	*			trans	40.6	98.8	167.3	-70.5	-12.1	0	0	0	122.6
3	R	29.8	Very low	28.2	Very low	244 Å²	244	174.8 Å²	174.8	92%	0.921	84%	0.842	S	S	*	*				72.4	119.5	129.8	-66.6	-177	176.5	-173.4	-1.2	117.2
4	G	28	Very low	28.3	Very low	72 Å²	72	174.6 Å²	174.6	74%	0.742	84%	0.839	S	S	*	*			cis	129	101.4	3.5	0	0	0	0	0	112
5	K	30.6	Very low	28	Very low	196 Å²	196	167.5 Å²	167.5	85%	0.852	83%	0.829	S	S	*	*			trans	54.3	157.1	143.1	-75.9	-178.2	179.6	174.6	0	119.6
6	K	28.6	Very low	27.9	Very low	183 Å²	183	167.7 Å²	167.7	80%	0.796	83%	0.832	S	S	*	*			cis	-175.6	136.4	-19.5	-117.5	-176.3	176.3	-177	0	105.8
7	V	28.1	Very low	27.8	Very low	130 Å²	130	164.6 Å²	164.6	79%	0.788	83%	0.825	S	S	*	*			trans	3.9	136.7	142	-168.2	0	0	0	0	119.7
8	K	27.4	Very low	27.7	Very low	204 Å²	204	166.4 Å²	166.4	89%	0.887	83%	0.827	S	S	*	*				177	142.2	114.5	-99	-173.1	178.4	-176.2	0	117.7
9	R	25.9	Very low	27.6	Very low	215 Å²	215	163.3 Å²	163.3	81%	0.811	82%	0.822	S	S	*	*			trans	-38.4	155.4	162.8	-86.8	173.3	165.7	177.9	-4.8	117.1
10	C	23.7	Very low	27.4	Very low	136 Å²	136	160.9 Å²	160.9	92%	0.919	82%	0.82	S	S	*	*			trans	-148.2	140.2	137.1	-138	0	0	0	0	111.9
11	E	28	Very low	27.2	Very low	152 Å²	152	164.5 Å²	164.5	71%	0.71	82%	0.824	S	S	*	*			trans	-109.6	146.3	-179.5	-89.3	-179	136.9	0	0	111.1
12	K	27.6	Very low	26.9	Very low	183 Å²	183	157.9 Å²	157.9	80%	0.796	80%	0.797	S	S	*	*			trans	41.7	132.4	140	-90.4	178.5	177	172.7	0	124
13	K	28.2	Very low	26.7	Very low	162 Å²	162	157.7 Å²	157.7	70%	0.704	80%	0.802	S	S	*	*				119.2	116.3	118.4	-95.5	-171.9	174.4	-155.2	0	120.4
14	E	28.9	Very low	26.4	Very low	172 Å²	172	150.8 Å²	150.8	80%	0.804	79%	0.791	S	S	*	*				50.9	139.1	126.7	-70	175	153.7	0	0	124.4
15	G	24.7	Very low	26.2	Very low	67 Å²	67	155.6 Å²	155.6	69%	0.691	80%	0.796	S	S	*	*			trans	157.5	84.2	159.8	0	0	0	0	0	113
16	I	26.5	Very low	26	Very low	171 Å²	171	155.2 Å²	155.2	88%	0.877	80%	0.799	S	S	*	*				94.9	131.3	90.3	-71.9	169.3	0	0	0	115.4
17	T	25.9	Very low	25.8	Very low	116 Å²	116	150.8 Å²	150.8	71%	0.712	80%	0.797	S	S	*	*			trans	-48.2	163.3	-178.2	46.8	0	0	0	0	122.7
18	K	26.3	Very low	26	Very low	197 Å²	197	150.4 Å²	150.4	86%	0.857	79%	0.794	S	S	*	*			trans	131.3	141.6	138.7	-77	-177.8	179	179.5	0	111.1
19	S	25.4	Very low	26	Very low	106 Å²	106	148.3 Å²	148.3	74%	0.741	79%	0.793	S	S	*	*			cis	-169.7	153.2	1	44	0	0	0	0	107.8
20	C	22.8	Very low	26.1	Very low	116 Å²	116	141.2 Å²	141.2	78%	0.784	79%	0.787	S	S	*	*			trans	-78.6	142.8	-179.4	-167.8	0	0	0	0	113
21	W	24.2	Very low	26.3	Very low	236 Å²	236	142.3 Å²	142.3	89%	0.894	78%	0.783	S	S	*	*			trans	-147.8	114.5	151	-83.2	90.3	0	0	0	111
22	T	24.3	Very low	26.3	Very low	108 Å²	108	145.7 Å²	145.7	66%	0.663	79%	0.789	S	S	*	*			trans	3.3	140.4	146.5	9.1	0	0	0	0	121.4
23	V	25.3	Very low	26.3	Very low	146 Å²	146	142.6 Å²	142.6	89%	0.885	78%	0.782	S	S	*	*				179.7	148.2	104.9	160.9	0	0	0	0	110.1
24	S	24.1	Very low	26.3	Very low	99 Å²	99	141.5 Å²	141.5	69%	0.692	78%	0.783	S	S	*	*			trans	-93.9	168.5	-169.3	-173.7	0	0	0	0	114.9
25	M	23.2	Very low	26.4	Very low	172 Å²	172	139.1 Å²	139.1	85%	0.847	78%	0.781	S	S	*	*			trans	84.2	115.5	158.1	-70.7	-176.7	167.3	0	0	119.7
26	M	26.2	Very low	26.6	Very low	189 Å²	189	144.4 Å²	144.4	93%	0.931	79%	0.788	S	S	*	*				-172.1	146.8	92.6	-92.1	-168.5	178.6	0	0	111.4
27	A	26	Very low	26.8	Very low	90 Å²	90	142.8 Å²	142.8	74%	0.744	79%	0.785	S	S	*	*			trans	-89.4	168.2	-179.2	0	0	0	0	0	112.5
28	V	30.8	Very low	27.1	Very low	121 Å²	121	142.6 Å²	142.6	73%	0.733	78%	0.784	S	S	*	*				146	121.6	123.1	175.2	0	0	0	0	112.8
29	D	28.9	Very low	27.5	Very low	160 Å²	160	141.5 Å²	141.5	86%	0.856	78%	0.782	S	S	*	*			trans	66.2	132.5	149.3	-60.5	-14.4	0	0	0	125.3
30	G	27.3	Very low	28.1	Very low	67 Å²	67	144.6 Å²	144.6	69%	0.691	79%	0.786	S	S	*	*			trans	151.5	75.9	138.5	0	0	0	0	0	120
31	L	27.8	Very low	28.8	Very low	159 Å²	159	142 Å²	142	83%	0.832	78%	0.78	S	S	*	*			trans	64.6	105.6	136.6	-68.9	155.1	0	0	0	123.4
32	W	26.9	Very low	29.7	Very low	222 Å²	222	138.4 Å²	138.4	84%	0.841	78%	0.778	S	S	*	*				71.2	129.5	119.4	-80.6	38.6	0	0	0	124.8
33	D	28.8	Very low	31	Very low	119 Å²	119	138.1 Å²	138.1	64%	0.636	78%	0.776	S	S	*	*			trans	66.1	108.2	149.4	-77.6	-12.7	0	0	0	122
34	N	28	Very low	32.7	Very low	138 Å²	138	135 Å²	135	74%	0.738	76%	0.758	S	S	*	*				177.6	130.9	93	-102.5	-43.8	0	0	0	114
35	T	30.9	Very low	35.3	Very low	123 Å²	123	133.9 Å²	133.9	76%	0.755	75%	0.751	S	S	*	*			trans	44.1	107.7	142.1	18.4	0	0	0	0	120.8
36	E	30	Very low	38.6	Very low	178 Å²	178	128.9 Å²	128.9	83%	0.832	73%	0.725	S	S	*	*				179.9	95.3	112.3	-98.9	-176.6	178.7	0	0	108.2	V38	E36-V38 VanDerWaalsContact C-N 3.34Å; E36-V38 PolarHBondContact O-N 3.11Å; E36-V38 VanDerWaalsContact O-N 3.11Å
37	V	30.8	Very low	41.8	Very low	137 Å²	137	122.5 Å²	122.5	83%	0.83	69%	0.692	S	S	*	*			trans	-75.8	97.9	162.9	-179.7	0	0	0	0	105.7	E39	V37-E39 VanDerWaalsContact C-N 3.27Å; V37-E39 PolarHBondContact O-N 2.87Å
38	V	32.3	Very low	45.1	Very low	111 Å²	111	124.6 Å²	124.6	67%	0.673	69%	0.685	S	S	*	*			trans	-66.1	97.4	159.2	179.1	0	0	0	0	105.4	E36 M40	E36-V38 VanDerWaalsContact C-N 3.34Å; E36-V38 PolarHBondContact O-N 3.11Å; E36-V38 VanDerWaalsContact O-N 3.11Å; V38-M40 HydrophobicContact CG1-CG 4.44Å; V38-M40 PolarHBondContact O-N 3.01Å
39	E	34.7	Very low	48.1	Very low	175 Å²	175	119.7 Å²	119.7	82%	0.818	66%	0.655	S	S	*	*			trans	-57.5	97.9	157.9	-81.4	-175.3	161.6	0	0	106.4	V37 G41	V37-E39 VanDerWaalsContact C-N 3.27Å; V37-E39 PolarHBondContact O-N 2.87Å; E39-G41 PolarHBondContact O-N 2.88Å
40	M	36.4	Very low	51.3	Low	171 Å²	171	118.6 Å²	118.6	84%	0.842	65%	0.645	S	S	*	*			trans	-63.9	94.9	160.4	-74.3	-149.4	-64.9	0	0	105.8	V38 D42	V38-M40 HydrophobicContact CG1-CG 4.44Å; V38-M40 PolarHBondContact O-N 3.01Å; M40-D42 PolarHBondContact O-N 2.95Å
41	G	37.2	Very low	54.6	Low	62 Å²	62	122 Å²	122	64%	0.639	64%	0.64	S	S	*	*			trans	-50	125.6	174.3	0	0	0	0	0	109.4	E39 V43	E39-G41 PolarHBondContact O-N 2.88Å; G41-V43 PolarHBondContact O-N 3.19Å
42	D	44.9	Very low	57.9	Low	160 Å²	160	116.3 Å²	116.3	86%	0.856	61%	0.61	S	S	*	*			trans	-48.6	109.4	173.4	-87.1	-38.3	0	0	0	108.9	M40 P44	M40-D42 PolarHBondContact O-N 2.95Å; D42-P44 WeakPolarHBondContact O-CD 3.37Å
43	V	50.6	Low	61.3	Low	102 Å²	102	109.5 Å²	109.5	62%	0.618	60%	0.596	S	S	*	*			trans	-61.6	122.6	170	-179.7	0	0	0	0	105.9	G41 S45	G41-V43 PolarHBondContact O-N 3.19Å; V43-S45 PolarHBondContact O-N 3.47Å
44	P	60.5	Low	64.6	Low	80 Å²	80	108 Å²	108	52%	0.519	58%	0.581	S	S	.	*			trans	-54.8	121.7	-177.7	-23.7	30.8	0	0	0	109.4	D42 Q46 R656	D42-P44 WeakPolarHBondContact O-CD 3.37Å; P44-Q46 PolarHBondContact O-N 3.26Å; P44-Q46 VanDerWaalsContact O-N 3.09Å; P44-R656 WeakPolarHBondContact O-CD 3.36Å; P44-R656 PolarHBondContact O-NE 3.2Å; P44-R656 PolarHBondContact O-NH1 3.27Å
45	S	79.5	Confident	67.9	Low	76 Å²	76	106 Å²	106	53%	0.531	57%	0.567	S	S	.	*	S	Bend	trans	-64.6	-16.3	-176.9	60.4	0	0	0	0	112.6	V43 R656 K657	V43-S45 PolarHBondContact O-N 3.47Å; S45-R656 CarbonylContact O-C 3.59Å; S45-R656 VanDerWaalsContact O-CA 3.28Å; S45-R656 WeakPolarHBondContact O-CA 3.29Å; S45-K657 PolarHBondContact O-N 3.29Å
46	Q	91.8	Very high	71	Confident	67 Å²	67	101 Å²	101	31%	0.313	54%	0.541	S	S	.	.	B	Isolated β-bridge	trans	-89.6	138.9	178.9	-69.4	-180	-22.1	0	0	112.4	P44 F48 R656 D741	P44-Q46 PolarHBondContact O-N 3.26Å; P44-Q46 VanDerWaalsContact O-N 3.09Å; Q46-F48 HydrophobicContact CB-CE2 4.18Å; Q46-F48 HydrophobicContact CB-CZ 4.32Å; Q46-R656 PolarHBondContact O-NH1 3.42Å; Q46-D741 PolarHBondContact NE2-OD2 3.23Å
47	F	94.5	Very high	74.2	Confident	54 Å²	54	92.6 Å²	92.6	24%	0.237	50%	0.501	C	S	.	.			trans	-91.3	136.7	166.2	-177.9	-91.4	0	0	0	109.9	V49 R656 K657 H658 R744	F47-V49 HydrophobicContact CD1-CG1 4.48Å; F47-V49 HydrophobicContact CE1-CG1 4.1Å; F47-R656 HydrophobicContact CB-CB 4.32Å; F47-K657 WeakPolarHBondContact CB-O 3.5Å; F47-K657 PolarHBondContact N-O 2.89Å; F47-H658 AromaticContact CD1-CE1 3.47Å; F47-H658 VanDerWaalsContact CD1-CE1 3.47Å; F47-H658 WeakPolarHBondContact CD1-CE1 3.32Å; F47-H658 AromaticContact CD1-ND1 3.2Å; F47-H658 WeakPolarHBondContact CD1-ND1 3.42Å; F47-H658 AromaticContact CD2-CE1 3.39Å; F47-H658 WeakPolarHBondContact CD2-CE1 3.32Å; F47-H658 AromaticContact CD2-NE2 3.97Å; F47-H658 AromaticContact CE1-CE1 3.85Å; F47-H658 AromaticContact CE1-ND1 3.74Å; F47-H658 AromaticContact CE2-CE1 3.79Å; F47-H658 AromaticContact CG-CE1 3.21Å; F47-H658 WeakPolarHBondContact CG-CE1 3.28Å; F47-H658 AromaticContact CG-ND1 3.36Å; F47-H658 WeakPolarHBondContact CG-ND1 3.37Å; F47-H658 AromaticContact CG-NE2 3.86Å; F47-R744 PolarHBondContact O-NH1 3.01Å; F47-R744 PolarHBondContact O-NH2 2.77Å
48	F	94.3	Very high	77.3	Confident	135 Å²	135	90.7 Å²	90.7	59%	0.592	48%	0.479	S	S	*	.			trans	-114.7	131.3	172.2	-66.2	-80.9	0	0	0	108.6	Q46	Q46-F48 HydrophobicContact CB-CE2 4.18Å; Q46-F48 HydrophobicContact CB-CZ 4.32Å
49	V	95.1	Very high	80.2	Confident	18 Å²	18	89.9 Å²	89.9	11%	0.109	47%	0.471	C	S	.	.			trans	-67.4	150.4	176.9	-59.8	0	0	0	0	110.3	F47 K51 P659 L691 Y693 Q881	F47-V49 HydrophobicContact CD1-CG1 4.48Å; F47-V49 HydrophobicContact CE1-CG1 4.1Å; V49-K51 PolarHBondContact O-N 3.35Å; V49-P659 HydrophobicContact CG1-CG 3.99Å; V49-L691 WeakPolarHBondContact CG1-O 3.16Å; V49-Y693 HydrophobicContact CB-CE2 4.49Å; V49-Y693 HydrophobicContact CG1-CD1 4.47Å; V49-Y693 HydrophobicContact CG1-CD2 4.24Å; V49-Y693 HydrophobicContact CG1-CE1 4.06Å; V49-Y693 HydrophobicContact CG1-CE2 3.84Å; V49-Q881 HydrophobicContact CG2-CB 4.12Å
50	E	95.2	Very high	83	Confident	136 Å²	136	83.5 Å²	83.5	64%	0.636	44%	0.442	S	S	*	.			trans	-64.8	133.3	173.1	-173.3	179.6	164.8	0	0	109.8	H52	E50-H52 PolarHBondContact O-CD2 2.92Å; E50-H52 PolarHBondContact O-N 3.04Å; E50-H52 IonicContact OE1-CE1 3.86Å; E50-H52 PolarHBondContact OE1-CE1 3.22Å; E50-H52 IonicContact OE1-ND1 2.88Å; E50-H52 IonicContact OE2-CE1 3.91Å
51	K	96.6	Very high	85.6	Confident	138 Å²	138	75.5 Å²	75.5	60%	0.6	40%	0.403	S	S	*	.			trans	-87.2	108.8	176.7	-71.2	-164.3	173.1	-161.6	0	109.8	V49	V49-K51 PolarHBondContact O-N 3.35Å
52	H	97.9	Very high	88.1	Confident	41 Å²	41	75.2 Å²	75.2	19%	0.19	39%	0.385	C	S	.	.			trans	-93.8	150.3	175.7	-57.8	-75.8	0	0	0	111.2	E50 L57 Q881	E50-H52 PolarHBondContact O-CD2 2.92Å; E50-H52 PolarHBondContact O-N 3.04Å; E50-H52 IonicContact OE1-CE1 3.86Å; E50-H52 PolarHBondContact OE1-CE1 3.22Å; E50-H52 IonicContact OE1-ND1 2.88Å; E50-H52 IonicContact OE2-CE1 3.91Å; H52-L57 HydrophobicContact CB-CD2 3.81Å; H52-L57 HydrophobicContact CB-CG 3.93Å; H52-Q881 PolarHBondContact O-NE2 2.88Å; H52-Q881 PolarHBondContact O-OE1 3.08Å
53	S	97.9	Very high	89.9	Confident	78 Å²	78	70.8 Å²	70.8	55%	0.545	37%	0.365	S	S	.	.			trans	-66.6	166	165.9	68.9	0	0	0	0	110.5	E55 G56 L57	S53-E55 VanDerWaalsContact C-N 3.32Å; S53-E55 PolarHBondContact O-N 3.05Å; S53-G56 PolarHBondContact O-N 3.46Å; S53-G56 VanDerWaalsContact O-N 3.15Å; S53-G56 PolarHBondContact OG-N 3.43Å; S53-L57 PolarHBondContact O-N 3.37Å
54	W	97.1	Very high	91.4	Very high	89 Å²	89	67 Å²	67	34%	0.337	34%	0.343	S	S	.	.	H	α-helix	trans	-56.9	-45.5	174.5	-175.1	-88.4	0	0	0	112.2	G56 L57 R58 H871 I874 M875 H878	W54-G56 VanDerWaalsContact C-N 3.34Å; W54-G56 PolarHBondContact O-N 2.98Å; W54-L57 PolarHBondContact O-N 3.47Å; W54-R58 PolarHBondContact O-N 3.24Å; W54-H871 AromaticContact CH2-NE2 4Å; W54-H871 AromaticContact CZ2-CD2 3.91Å; W54-H871 AromaticContact CZ2-NE2 3.86Å; W54-I874 HydrophobicContact CD2-CG2 3.69Å; W54-I874 HydrophobicContact CE3-CG2 3.88Å; W54-I874 HydrophobicContact CG-CG2 4.37Å; W54-I874 HydrophobicContact CH2-CB 4.42Å; W54-I874 HydrophobicContact CH2-CG2 3.77Å; W54-I874 HydrophobicContact CZ2-CB 4.24Å; W54-I874 HydrophobicContact CZ2-CG2 3.56Å; W54-I874 HydrophobicContact CZ3-CG2 3.92Å; W54-M875 HydrophobicContact CH2-CB 4.23Å; W54-M875 HydrophobicContact CH2-SD 4.18Å; W54-M875 HydrophobicContact CZ3-SD 4.15Å; W54-H878 HydrophobicContact CE3-CB 4.15Å; W54-H878 AromaticContact CE3-CG 3.99Å; W54-H878 HydrophobicContact CZ3-CB 3.96Å
55	E	96.9	Very high	92.3	Very high	95 Å²	95	66 Å²	66	44%	0.444	33%	0.329	S	S	.	.	H	α-helix	trans	-62.3	-39.2	174.8	-71.7	-63.4	146.5	0	0	112	S53 L57 R58 D59	S53-E55 VanDerWaalsContact C-N 3.32Å; S53-E55 PolarHBondContact O-N 3.05Å; E55-L57 PolarHBondContact O-N 3.15Å; E55-R58 WeakPolarHBondContact O-CB 3.48Å; E55-R58 PolarHBondContact O-N 3.19Å; E55-R58 IonicContact OE1-NH1 3.94Å; E55-R58 PolarHBondContact OE1-NH1 2.97Å; E55-R58 VanDerWaalsContact OE1-NH1 3.08Å; E55-R58 IonicContact OE2-CZ 3.55Å; E55-R58 IonicContact OE2-NE 2.7Å; E55-R58 IonicContact OE2-NH1 3.33Å; E55-R58 PolarHBondContact OE2-NH1 3.08Å; E55-R58 IonicContact OE2-NH2 3.47Å; E55-D59 PolarHBondContact O-N 3.28Å
56	G	97.2	Very high	91.9	Very high	19 Å²	19	69.3 Å²	69.3	20%	0.196	33%	0.334	C	S	.	.	H	α-helix	trans	-62.6	-41.5	175.5	0	0	0	0	0	113	S53 W54 R58 D59 I60	S53-G56 PolarHBondContact O-N 3.46Å; S53-G56 VanDerWaalsContact O-N 3.15Å; S53-G56 PolarHBondContact OG-N 3.43Å; W54-G56 VanDerWaalsContact C-N 3.34Å; W54-G56 PolarHBondContact O-N 2.98Å; G56-R58 VanDerWaalsContact C-N 3.34Å; G56-D59 PolarHBondContact O-N 3.38Å; G56-I60 WeakPolarHBondContact O-CD1 3.48Å; G56-I60 WeakPolarHBondContact O-CG1 3.5Å; G56-I60 PolarHBondContact O-N 3.44Å; G56-I60 VanDerWaalsContact O-N 3.08Å
57	L	96.8	Very high	90.6	Very high	1 Å²	1	71.6 Å²	71.6	1%	0.005	34%	0.341	C	S	.	.	H	α-helix	trans	-65	-38.6	173.6	-69	179.5	0	0	0	112	H52 S53 W54 E55 D59 I60 I61 I874 L877 H878	H52-L57 HydrophobicContact CB-CD2 3.81Å; H52-L57 HydrophobicContact CB-CG 3.93Å; S53-L57 PolarHBondContact O-N 3.37Å; W54-L57 PolarHBondContact O-N 3.47Å; E55-L57 PolarHBondContact O-N 3.15Å; L57-D59 VanDerWaalsContact C-N 3.34Å; L57-I60 HydrophobicContact CD2-CD1 4.27Å; L57-I60 WeakPolarHBondContact O-CB 3.33Å; L57-I60 PolarHBondContact O-N 2.91Å; L57-I61 WeakPolarHBondContact O-CG1 3.48Å; L57-I61 PolarHBondContact O-N 3.47Å; L57-I874 HydrophobicContact CB-CG2 4.06Å; L57-L877 HydrophobicContact CD1-CB 4.07Å; L57-L877 HydrophobicContact CD2-CB 4.03Å; L57-L877 HydrophobicContact CD2-CD1 4.21Å; L57-H878 HydrophobicContact CD1-CB 3.76Å
58	R	95.4	Very high	89	Confident	97 Å²	97	70.3 Å²	70.3	37%	0.366	34%	0.339	S	S	.	.	H	α-helix	trans	-60.4	-44.6	175.1	-169.4	-178.7	116.3	-156.9	-2.8	111.2	W54 E55 G56 I60 I61 H62 I874	W54-R58 PolarHBondContact O-N 3.24Å; E55-R58 WeakPolarHBondContact O-CB 3.48Å; E55-R58 PolarHBondContact O-N 3.19Å; E55-R58 IonicContact OE1-NH1 3.94Å; E55-R58 PolarHBondContact OE1-NH1 2.97Å; E55-R58 VanDerWaalsContact OE1-NH1 3.08Å; E55-R58 IonicContact OE2-CZ 3.55Å; E55-R58 IonicContact OE2-NE 2.7Å; E55-R58 IonicContact OE2-NH1 3.33Å; E55-R58 PolarHBondContact OE2-NH1 3.08Å; E55-R58 IonicContact OE2-NH2 3.47Å; G56-R58 VanDerWaalsContact C-N 3.34Å; R58-I60 VanDerWaalsContact C-N 3.35Å; R58-I60 PolarHBondContact O-N 3.13Å; R58-I61 PolarHBondContact O-N 3.31Å; R58-H62 WeakPolarHBondContact CG-NE2 3.44Å; R58-H62 PolarHBondContact NE-NE2 3.38Å; R58-H62 WeakPolarHBondContact O-CB 3.45Å; R58-H62 PolarHBondContact O-CD2 3.43Å; R58-H62 PolarHBondContact O-N 2.95Å; R58-I874 HydrophobicContact CB-CD1 3.82Å; R58-I874 HydrophobicContact CB-CG1 4.46Å; R58-I874 HydrophobicContact CG-CD1 3.72Å
59	D	94.3	Very high	87.4	Confident	93 Å²	93	66.4 Å²	66.4	50%	0.497	34%	0.336	S	S	.	.	H	α-helix	trans	-62.1	-40.8	175.9	-73.9	-24.3	0	0	0	112.2	E55 G56 L57 C63	E55-D59 PolarHBondContact O-N 3.28Å; G56-D59 PolarHBondContact O-N 3.38Å; L57-D59 VanDerWaalsContact C-N 3.34Å; D59-C63 VanDerWaalsContact O-CB 3.32Å; D59-C63 WeakPolarHBondContact O-CB 3.2Å; D59-C63 PolarHBondContact O-N 3.41Å; D59-C63 PolarHBondContact O-SG 3.01Å
60	I	93	Very high	85.4	Confident	42 Å²	42	72.6 Å²	72.6	22%	0.215	37%	0.365	C	S	.	.	H	α-helix	trans	-59.8	-49.4	175.3	-70.3	160.4	0	0	0	110.9	G56 L57 R58 C63 S64 T687 L691	G56-I60 WeakPolarHBondContact O-CD1 3.48Å; G56-I60 WeakPolarHBondContact O-CG1 3.5Å; G56-I60 PolarHBondContact O-N 3.44Å; G56-I60 VanDerWaalsContact O-N 3.08Å; L57-I60 HydrophobicContact CD2-CD1 4.27Å; L57-I60 WeakPolarHBondContact O-CB 3.33Å; L57-I60 PolarHBondContact O-N 2.91Å; R58-I60 VanDerWaalsContact C-N 3.35Å; R58-I60 PolarHBondContact O-N 3.13Å; I60-C63 PolarHBondContact O-N 3.18Å; I60-S64 PolarHBondContact O-N 3.45Å; I60-T687 HydrophobicContact CG2-CG2 4.11Å; I60-L691 HydrophobicContact CD1-CD2 4.11Å
61	I	91.3	Very high	83.6	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.015	34%	0.341	C	S	.	.	H	α-helix	trans	-66.2	-43.8	-179.5	-67.8	-57.3	0	0	0	111.8	L57 R58 C63 S64 R65 T687 E870 E873 I874 L877	L57-I61 WeakPolarHBondContact O-CG1 3.48Å; L57-I61 PolarHBondContact O-N 3.47Å; R58-I61 PolarHBondContact O-N 3.31Å; I61-C63 VanDerWaalsContact C-N 3.28Å; I61-C63 PolarHBondContact O-N 3.05Å; I61-S64 PolarHBondContact O-N 3.22Å; I61-S64 PolarHBondContact O-OG 3.47Å; I61-R65 HydrophobicContact CG2-CG 4.4Å; I61-R65 WeakPolarHBondContact O-CB 3.47Å; I61-R65 WeakPolarHBondContact O-CG 3.21Å; I61-R65 PolarHBondContact O-N 3.26Å; I61-T687 HydrophobicContact CD1-CG2 4.27Å; I61-E870 HydrophobicContact CG2-CG 4.5Å; I61-E873 HydrophobicContact CD1-CB 3.81Å; I61-E873 HydrophobicContact CG1-CB 4.1Å; I61-E873 HydrophobicContact CG2-CB 4.26Å; I61-E873 VanDerWaalsContact CG2-OE2 3.31Å; I61-E873 WeakPolarHBondContact CG2-OE2 3.46Å; I61-I874 HydrophobicContact CB-CG1 4.34Å; I61-I874 HydrophobicContact CG1-CG1 4.04Å; I61-L877 HydrophobicContact CD1-CD1 3.63Å; I61-L877 HydrophobicContact CG1-CD1 4.02Å
62	H	88.6	Confident	81.6	Confident	56 Å²	56	63.3 Å²	63.3	26%	0.259	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-38.4	175.2	-74.1	-54.3	0	0	0	111.9	R58 K66 E870	R58-H62 WeakPolarHBondContact CG-NE2 3.44Å; R58-H62 PolarHBondContact NE-NE2 3.38Å; R58-H62 WeakPolarHBondContact O-CB 3.45Å; R58-H62 PolarHBondContact O-CD2 3.43Å; R58-H62 PolarHBondContact O-N 2.95Å; H62-K66 WeakPolarHBondContact O-CG 3.36Å; H62-K66 PolarHBondContact O-N 2.65Å; H62-E870 VanDerWaalsContact CE1-CD 3.42Å; H62-E870 IonicContact CE1-OE1 2.82Å; H62-E870 PolarHBondContact CE1-OE1 3.33Å; H62-E870 IonicContact CE1-OE2 3.82Å; H62-E870 PolarHBondContact CE1-OE2 3.47Å; H62-E870 IonicContact ND1-OE1 3.2Å; H62-E870 PolarHBondContact ND1-OE1 3.03Å; H62-E870 VanDerWaalsContact ND1-OE1 3.08Å; H62-E870 IonicContact ND1-OE2 3.08Å
63	C	84.7	Confident	80	Confident	66 Å²	66	63.9 Å²	63.9	45%	0.446	34%	0.338	S	S	.	.	H	α-helix	trans	-67.6	-41.3	177.4	-70.8	0	0	0	0	112.4	D59 I60 I61 Y67	D59-C63 VanDerWaalsContact O-CB 3.32Å; D59-C63 WeakPolarHBondContact O-CB 3.2Å; D59-C63 PolarHBondContact O-N 3.41Å; D59-C63 PolarHBondContact O-SG 3.01Å; I60-C63 PolarHBondContact O-N 3.18Å; I61-C63 VanDerWaalsContact C-N 3.28Å; I61-C63 PolarHBondContact O-N 3.05Å; C63-Y67 WeakPolarHBondContact O-CD2 3.48Å
64	S	81.5	Confident	78.7	Confident	22 Å²	22	63 Å²	63	15%	0.154	33%	0.325	C	S	.	.	H	α-helix	trans	-65.7	-39.3	177.5	71.5	0	0	0	0	111.9	I60 I61 K66 Y67	I60-S64 PolarHBondContact O-N 3.45Å; I61-S64 PolarHBondContact O-N 3.22Å; I61-S64 PolarHBondContact O-OG 3.47Å; S64-K66 PolarHBondContact O-N 3.36Å; S64-Y67 PolarHBondContact O-N 3.34Å
65	R	78.8	Confident	78.3	Confident	59 Å²	59	59.5 Å²	59.5	22%	0.223	32%	0.315	C	S	.	.	H	α-helix	trans	-71	-25.9	-179.4	-73.9	177.4	168.2	-136.9	-7.2	114.8	I61 Y67 S68 G69 P866 G869 E873	I61-R65 HydrophobicContact CG2-CG 4.4Å; I61-R65 WeakPolarHBondContact O-CB 3.47Å; I61-R65 WeakPolarHBondContact O-CG 3.21Å; I61-R65 PolarHBondContact O-N 3.26Å; R65-Y67 PolarHBondContact O-N 3.1Å; R65-S68 WeakPolarHBondContact O-CB 3.39Å; R65-S68 PolarHBondContact O-N 3.23Å; R65-S68 VanDerWaalsContact O-N 3.11Å; R65-G69 PolarHBondContact O-N 3.45Å; R65-G69 VanDerWaalsContact O-N 3.08Å; R65-P866 PolarHBondContact NH1-O 3.06Å; R65-G869 PolarHBondContact NH2-O 3.23Å; R65-E873 IonicContact CZ-OE1 2.99Å; R65-E873 IonicContact CZ-OE2 3.54Å; R65-E873 IonicContact NE-OE1 2.79Å; R65-E873 IonicContact NE-OE2 3.27Å; R65-E873 PolarHBondContact NE-OE2 2.95Å; R65-E873 IonicContact NH2-OE1 3.73Å; R65-E873 PolarHBondContact NH2-OE1 3.05Å; R65-E873 IonicContact NH2-OE2 3.44Å; R65-E873 PolarHBondContact NH2-OE2 2.86Å; R65-E873 VanDerWaalsContact NH2-OE2 3.16Å
66	K	72.2	Confident	78.1	Confident	147 Å²	147	55.1 Å²	55.1	64%	0.639	29%	0.294	S	S	*	.	H	α-helix	trans	-55	-37.3	174.7	-80.3	173.1	-175	173.7	0	112	H62 S64	H62-K66 WeakPolarHBondContact O-CG 3.36Å; H62-K66 PolarHBondContact O-N 2.65Å; S64-K66 PolarHBondContact O-N 3.36Å
67	Y	62.8	Low	77.9	Confident	115 Å²	115	55.7 Å²	55.7	45%	0.451	29%	0.292	S	S	.	.	H	α-helix	trans	-75.8	-38.2	177.5	-64.8	-74.2	0	0	0	112.5	C63 S64 R65 G69 M70 I71	C63-Y67 WeakPolarHBondContact O-CD2 3.48Å; S64-Y67 PolarHBondContact O-N 3.34Å; R65-Y67 PolarHBondContact O-N 3.1Å; Y67-G69 PolarHBondContact O-N 2.81Å; Y67-M70 PolarHBondContact O-N 3.09Å; Y67-I71 PolarHBondContact O-N 3.4Å
68	S	62.5	Low	77.9	Confident	27 Å²	27	59.3 Å²	59.3	19%	0.189	31%	0.311	C	S	.	.	H	α-helix	trans	-54.8	-42.6	172.5	-52.9	0	0	0	0	111.3	R65 M70 I71 A72 L683	R65-S68 WeakPolarHBondContact O-CB 3.39Å; R65-S68 PolarHBondContact O-N 3.23Å; R65-S68 VanDerWaalsContact O-N 3.11Å; S68-M70 PolarHBondContact O-N 3.15Å; S68-M70 VanDerWaalsContact O-N 3.15Å; S68-I71 CarbonylContact O-C 3.57Å; S68-I71 PolarHBondContact O-N 2.74Å; S68-A72 WeakPolarHBondContact O-CA 3.47Å; S68-A72 WeakPolarHBondContact O-CB 3.28Å; S68-A72 PolarHBondContact O-N 3.24Å; S68-L683 WeakPolarHBondContact OG-CD2 3.16Å
69	G	59.6	Low	77.9	Confident	52 Å²	52	56.1 Å²	56.1	54%	0.536	30%	0.3	S	S	.	.	H	α-helix	trans	-58.7	-25.3	177.5	0	0	0	0	0	114.8	R65 Y67	R65-G69 PolarHBondContact O-N 3.45Å; R65-G69 VanDerWaalsContact O-N 3.08Å; Y67-G69 PolarHBondContact O-N 2.81Å
70	M	53.8	Low	78	Confident	148 Å²	148	53 Å²	53	73%	0.729	28%	0.282	S	S	*	.	H	α-helix	trans	-84	-25.4	175.7	-62.6	-175.7	77.3	0	0	113.1	Y67 S68	Y67-M70 PolarHBondContact O-N 3.09Å; S68-M70 PolarHBondContact O-N 3.15Å; S68-M70 VanDerWaalsContact O-N 3.15Å
71	I	57.8	Low	78.2	Confident	26 Å²	26	51.3 Å²	51.3	13%	0.133	27%	0.274	C	S	.	.	H	α-helix	trans	-98.7	-18.5	-179.2	-48.9	174	0	0	0	110.9	Y67 S68 N73 P620 P623 M680	Y67-I71 PolarHBondContact O-N 3.4Å; S68-I71 CarbonylContact O-C 3.57Å; S68-I71 PolarHBondContact O-N 2.74Å; I71-N73 VanDerWaalsContact C-N 3.26Å; I71-N73 PolarHBondContact O-N 3.08Å; I71-P620 HydrophobicContact CB-CG 4.48Å; I71-P620 HydrophobicContact CG1-CB 4.44Å; I71-P620 HydrophobicContact CG1-CG 4.3Å; I71-P620 HydrophobicContact CG2-CG 3.76Å; I71-P623 HydrophobicContact CD1-CG 3.95Å; I71-M680 HydrophobicContact CB-CE 4.05Å; I71-M680 HydrophobicContact CB-SD 3.53Å; I71-M680 VanDerWaalsContact CB-SD 3.53Å; I71-M680 HydrophobicContact CG2-CE 3.92Å; I71-M680 HydrophobicContact CG2-CG 4.26Å; I71-M680 HydrophobicContact CG2-SD 3.11Å; I71-M680 WeakPolarHBondContact CG2-SD 3.22Å; I71-M680 VanDerWaalsContact O-CE 3.26Å; I71-M680 WeakPolarHBondContact O-CE 3.21Å
72	A	53.6	Low	78.5	Confident	53 Å²	53	52 Å²	52	44%	0.438	28%	0.278	S	S	.	.			trans	-77.3	6.6	-172.2	0	0	0	0	0	116.1	S68 K74 M680	S68-A72 WeakPolarHBondContact O-CA 3.47Å; S68-A72 WeakPolarHBondContact O-CB 3.28Å; S68-A72 PolarHBondContact O-N 3.24Å; A72-K74 PolarHBondContact O-N 3.31Å; A72-M680 HydrophobicContact CB-CE 4Å
73	N	64.3	Low	78.7	Confident	53 Å²	53	54.3 Å²	54.3	28%	0.283	29%	0.289	S	S	.	.	S	Bend	trans	-64.4	121.2	168.7	-68.8	-18.7	0	0	0	108.3	I71 A75	I71-N73 VanDerWaalsContact C-N 3.26Å; I71-N73 PolarHBondContact O-N 3.08Å; N73-A75 PolarHBondContact O-N 3.4Å; N73-A75 VanDerWaalsContact O-N 3.15Å
74	K	71.4	Confident	79.1	Confident	60 Å²	60	52.8 Å²	52.8	26%	0.261	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-58.6	123.1	176.9	-172.7	175.2	-173.9	-162.1	0	108.4	A72 H77 M100 A159	A72-K74 PolarHBondContact O-N 3.31Å; K74-H77 VanDerWaalsContact CD-CE1 3.41Å; K74-H77 WeakPolarHBondContact CD-CE1 3.21Å; K74-H77 WeakPolarHBondContact CE-CE1 3.39Å; K74-H77 VanDerWaalsContact CE-NE2 3.34Å; K74-H77 WeakPolarHBondContact CE-NE2 3.34Å; K74-H77 PolarHBondContact NZ-CE1 2.9Å; K74-H77 PolarHBondContact NZ-NE2 3.33Å; K74-M100 HydrophobicContact CB-CE 3.33Å; K74-M100 HydrophobicContact CB-CG 4.07Å; K74-M100 HydrophobicContact CB-SD 3.83Å; K74-M100 HydrophobicContact CD-CE 4.33Å; K74-M100 HydrophobicContact CG-CE 4.44Å; K74-M100 PolarHBondContact N-SD 3.18Å; K74-A159 HydrophobicContact CD-CB 3.95Å
75	A	87.1	Confident	79.4	Confident	16 Å²	16	58 Å²	58	13%	0.132	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-56.5	150.2	177.6	0	0	0	0	0	110.6	N73 H77 V593 M617	N73-A75 PolarHBondContact O-N 3.4Å; N73-A75 VanDerWaalsContact O-N 3.15Å; A75-H77 PolarHBondContact O-N 2.99Å; A75-H77 PolarHBondContact O-ND1 3.21Å; A75-V593 HydrophobicContact CB-CG2 4.19Å; A75-M617 HydrophobicContact CB-CE 3.83Å; A75-M617 HydrophobicContact CB-SD 4.02Å
76	P	93.4	Very high	79.8	Confident	2 Å²	2	59.5 Å²	59.5	1%	0.013	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-48.6	132.9	170.3	-30.4	36.9	0	0	0	112.1	F79 Y97 L98 W128	P76-F79 VanDerWaalsContact C-CZ 3.44Å; P76-F79 HydrophobicContact CB-CE1 3.75Å; P76-F79 HydrophobicContact CB-CZ 3.7Å; P76-F79 WeakPolarHBondContact O-CE2 3.48Å; P76-F79 WeakPolarHBondContact O-CZ 3.37Å; P76-Y97 HydrophobicContact CB-CD2 3.69Å; P76-Y97 HydrophobicContact CB-CE2 4.1Å; P76-Y97 HydrophobicContact CB-CG 4.24Å; P76-Y97 HydrophobicContact CG-CD2 4.25Å; P76-Y97 HydrophobicContact CG-CE2 4.19Å; P76-L98 VanDerWaalsContact CA-O 3.32Å; P76-L98 WeakPolarHBondContact CA-O 3.38Å; P76-W128 HydrophobicContact CG-CH2 3.59Å; P76-W128 HydrophobicContact CG-CZ2 3.26Å; P76-W128 HydrophobicContact CG-CZ3 4.38Å
77	H	94.1	Very high	80.3	Confident	32 Å²	32	60.9 Å²	60.9	15%	0.148	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	176.2	-179.4	57	-71.4	0	0	0	110.6	K74 A75 Y97 L98 N107	K74-H77 VanDerWaalsContact CD-CE1 3.41Å; K74-H77 WeakPolarHBondContact CD-CE1 3.21Å; K74-H77 WeakPolarHBondContact CE-CE1 3.39Å; K74-H77 VanDerWaalsContact CE-NE2 3.34Å; K74-H77 WeakPolarHBondContact CE-NE2 3.34Å; K74-H77 PolarHBondContact NZ-CE1 2.9Å; K74-H77 PolarHBondContact NZ-NE2 3.33Å; A75-H77 PolarHBondContact O-N 2.99Å; A75-H77 PolarHBondContact O-ND1 3.21Å; H77-Y97 WeakPolarHBondContact O-CA 2.93Å; H77-Y97 VanDerWaalsContact O-CB 3.28Å; H77-Y97 WeakPolarHBondContact O-CB 3.41Å; H77-L98 PolarHBondContact N-O 3.33Å; H77-L98 PolarHBondContact ND1-O 3.15Å; H77-L98 WeakPolarHBondContact NE2-CB 3.4Å; H77-L98 PolarHBondContact O-N 3.03Å; H77-N107 PolarHBondContact CE1-ND2 2.88Å; H77-N107 PolarHBondContact CE1-OD1 3.43Å; H77-N107 PolarHBondContact NE2-ND2 3.38Å
78	D	94.9	Very high	81.5	Confident	76 Å²	76	63 Å²	63	41%	0.406	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.7	56.1	-178.6	-60.6	-2.8	0	0	0	112.1	L98 Y165	D78-L98 HydrophobicContact CB-CD1 4.35Å; D78-L98 HydrophobicContact CB-CG 4.42Å; D78-L98 WeakPolarHBondContact OD2-CD1 3.5Å; D78-Y165 HydrophobicContact CB-CE1 3.83Å; D78-Y165 WeakPolarHBondContact O-CE1 3.46Å; D78-Y165 PolarHBondContact O-OH 3.1Å
79	F	96.6	Very high	82.9	Confident	30 Å²	30	62.2 Å²	62.2	13%	0.132	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.2	-174.8	-62.4	-76.5	0	0	0	113	P76 L95 Y96 Y97 V581 V593 L616	P76-F79 VanDerWaalsContact C-CZ 3.44Å; P76-F79 HydrophobicContact CB-CE1 3.75Å; P76-F79 HydrophobicContact CB-CZ 3.7Å; P76-F79 WeakPolarHBondContact O-CE2 3.48Å; P76-F79 WeakPolarHBondContact O-CZ 3.37Å; F79-L95 HydrophobicContact CB-CD1 4.06Å; F79-L95 HydrophobicContact CD1-CD1 4.07Å; F79-L95 HydrophobicContact CD1-CD2 4.11Å; F79-L95 HydrophobicContact CD1-CG 4.22Å; F79-Y96 CarbonylContact C-O 3.59Å; F79-Y96 VanDerWaalsContact CA-O 3.32Å; F79-Y96 WeakPolarHBondContact CA-O 3.23Å; F79-Y97 HydrophobicContact CD1-CD1 4.32Å; F79-Y97 HydrophobicContact CD1-CG 4.26Å; F79-Y97 HydrophobicContact CE1-CD1 4.38Å; F79-Y97 HydrophobicContact CE1-CG 4.16Å; F79-V581 HydrophobicContact CD1-CG1 4.46Å; F79-V581 HydrophobicContact CD1-CG2 4.09Å; F79-V581 HydrophobicContact CD2-CB 4.21Å; F79-V581 HydrophobicContact CD2-CG1 4.17Å; F79-V581 HydrophobicContact CE1-CG1 4Å; F79-V581 HydrophobicContact CE1-CG2 4.3Å; F79-V581 HydrophobicContact CE2-CB 4.21Å; F79-V581 HydrophobicContact CE2-CG1 3.67Å; F79-V581 HydrophobicContact CG-CB 4.38Å; F79-V581 HydrophobicContact CG-CG2 4.22Å; F79-V581 HydrophobicContact CZ-CB 4.38Å; F79-V581 HydrophobicContact CZ-CG1 3.57Å; F79-V593 HydrophobicContact CZ-CG1 3.9Å; F79-L616 HydrophobicContact CE1-CD1 4.27Å
80	Q	97.1	Very high	84.6	Confident	27 Å²	27	64.1 Å²	64.1	13%	0.126	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.6	172.9	-179.2	62	43.9	0	0	110.7	V82 Y96 Y165 Y167	Q80-V82 HydrophobicContact CG-CG2 4.38Å; Q80-Y96 PolarHBondContact N-O 3.32Å; Q80-Y96 PolarHBondContact O-N 3.21Å; Q80-Y165 VanDerWaalsContact CB-OH 3.26Å; Q80-Y165 WeakPolarHBondContact CB-OH 3.26Å; Q80-Y167 HydrophobicContact CG-CD1 3.62Å; Q80-Y167 HydrophobicContact CG-CE1 3.85Å; Q80-Y167 HydrophobicContact CG-CG 4.23Å
81	F	96.7	Very high	86.6	Confident	7 Å²	7	59.8 Å²	59.8	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.9	176.6	-69	-98.8	0	0	0	110.4	L95 I114 F579 V581 L595	F81-L95 HydrophobicContact CD1-CD1 3.91Å; F81-L95 HydrophobicContact CD2-CD1 3.87Å; F81-L95 HydrophobicContact CE1-CD1 3.86Å; F81-L95 HydrophobicContact CE2-CD1 3.83Å; F81-L95 HydrophobicContact CG-CD1 3.93Å; F81-L95 HydrophobicContact CZ-CD1 3.85Å; F81-I114 HydrophobicContact CD1-CD1 4.08Å; F81-I114 HydrophobicContact CE1-CD1 3.92Å; F81-F579 HydrophobicContact CD1-CB 4.34Å; F81-F579 HydrophobicContact CE1-CB 3.62Å; F81-F579 HydrophobicContact CE1-CG 4.36Å; F81-F579 HydrophobicContact CZ-CB 4.04Å; F81-V581 HydrophobicContact CE2-CG2 4.38Å; F81-V581 HydrophobicContact CZ-CG2 3.84Å; F81-L595 HydrophobicContact CE1-CD1 3.79Å; F81-L595 HydrophobicContact CZ-CD1 3.92Å
82	V	96.2	Very high	88.4	Confident	17 Å²	17	59.5 Å²	59.5	10%	0.103	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	118.1	173	-177.9	0	0	0	0	109.4	Q80 H93 R94 Y96 Y167 F193	Q80-V82 HydrophobicContact CG-CG2 4.38Å; V82-H93 CarbonylContact O-C 3.48Å; V82-H93 VanDerWaalsContact O-CA 3.29Å; V82-H93 WeakPolarHBondContact O-CA 3.31Å; V82-R94 PolarHBondContact N-O 3.33Å; V82-R94 PolarHBondContact O-N 2.97Å; V82-Y96 HydrophobicContact CB-CE2 3.95Å; V82-Y96 HydrophobicContact CG2-CD2 3.92Å; V82-Y96 HydrophobicContact CG2-CE2 3.54Å; V82-Y167 HydrophobicContact CG2-CE1 4.02Å; V82-Y167 WeakPolarHBondContact CG2-OH 3.37Å; V82-F193 HydrophobicContact CG1-CE1 4.09Å; V82-F193 HydrophobicContact CG1-CZ 3.98Å
83	Q	94.1	Very high	90.5	Very high	105 Å²	105	57.1 Å²	57.1	49%	0.491	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	143	-179.4	-165.8	176.6	14	0	0	111.6
84	K	93.3	Very high	92	Very high	34 Å²	34	55 Å²	55	15%	0.148	29%	0.291	C	S	.	.			trans	-97.8	127.5	171	-65.1	-165.1	164.1	-178.2	0	109.7	H91 S92 E113 F193	K84-H91 HydrophobicContact CD-CB 4.04Å; K84-S92 PolarHBondContact N-O 3.47Å; K84-E113 VanDerWaalsContact CE-OE2 3.32Å; K84-E113 WeakPolarHBondContact CE-OE2 3.39Å; K84-E113 IonicContact NZ-OE1 2.99Å; K84-E113 PolarHBondContact NZ-OE1 3.1Å; K84-E113 IonicContact NZ-OE2 3.02Å; K84-E113 PolarHBondContact NZ-OE2 2.93Å; K84-F193 HydrophobicContact CB-CE2 4.37Å; K84-F193 HydrophobicContact CD-CD2 4.35Å; K84-F193 HydrophobicContact CD-CE2 4.22Å; K84-F193 HydrophobicContact CD-CZ 4.44Å; K84-F193 HydrophobicContact CG-CD2 4.27Å; K84-F193 HydrophobicContact CG-CE1 4.35Å; K84-F193 HydrophobicContact CG-CE2 3.65Å; K84-F193 HydrophobicContact CG-CZ 3.67Å
85	T	87.1	Confident	93.3	Very high	133 Å²	133	52.1 Å²	52.1	82%	0.816	28%	0.278	S	S	*	.			trans	-87.4	-3.6	179.8	51.4	0	0	0	0	113.7	E87	T85-E87 PolarHBondContact O-N 3.21Å; T85-E87 VanDerWaalsContact O-N 3.09Å
86	D	86.8	Confident	93.8	Very high	90 Å²	90	51.3 Å²	51.3	48%	0.481	27%	0.272	S	S	.	.			trans	-70.6	102.7	176.9	177.5	8.2	0	0	0	110.7	N88 G89 K116	D86-N88 VanDerWaalsContact C-N 3.28Å; D86-N88 PolarHBondContact O-N 3.08Å; D86-N88 PolarHBondContact OD1-N 2.97Å; D86-G89 PolarHBondContact O-N 3.11Å; D86-G89 PolarHBondContact OD1-N 3.3Å; D86-G89 WeakPolarHBondContact OD2-CA 3.42Å; D86-G89 PolarHBondContact OD2-N 3.42Å; D86-K116 PolarHBondContact O-NZ 2.73Å
87	E	83	Confident	94	Very high	176 Å²	176	51.2 Å²	51.2	82%	0.822	27%	0.271	S	S	*	.	S	Bend	trans	-61.8	-33.2	178.7	-68.7	-168.7	166.3	0	0	113.1	T85 K116	T85-E87 PolarHBondContact O-N 3.21Å; T85-E87 VanDerWaalsContact O-N 3.09Å; E87-K116 PolarHBondContact O-NZ 2.75Å
88	N	88.9	Confident	94.1	Very high	160 Å²	160	49.7 Å²	49.7	86%	0.856	26%	0.264	S	S	*	.	S	Bend	trans	-88.4	-18.5	-177.7	-67	-44.2	0	0	0	112.8	D86	D86-N88 VanDerWaalsContact C-N 3.28Å; D86-N88 PolarHBondContact O-N 3.08Å; D86-N88 PolarHBondContact OD1-N 2.97Å
89	G	91.1	Very high	94	Very high	9 Å²	9	46.1 Å²	46.1	9%	0.093	25%	0.245	C	C	.	.	S	Bend	trans	-65.7	152.3	178.6	0	0	0	0	0	113.5	D86 H91 K116	D86-G89 PolarHBondContact O-N 3.11Å; D86-G89 PolarHBondContact OD1-N 3.3Å; D86-G89 WeakPolarHBondContact OD2-CA 3.42Å; D86-G89 PolarHBondContact OD2-N 3.42Å; G89-H91 VanDerWaalsContact C-N 3.28Å; G89-H91 PolarHBondContact O-N 3.48Å; G89-K116 WeakPolarHBondContact O-CD 3.27Å; G89-K116 VanDerWaalsContact O-CE 3.24Å; G89-K116 WeakPolarHBondContact O-CE 3.35Å; G89-K116 PolarHBondContact O-NZ 2.88Å
90	P	94.7	Very high	93.6	Very high	93 Å²	93	45.6 Å²	45.6	60%	0.604	24%	0.243	S	C	*	.	S	Bend	trans	-77.5	-10.7	-177.7	30.2	-34.5	0	0	0	114.1	P115 K116	P90-P115 WeakPolarHBondContact O-CA 3.46Å; P90-K116 PolarHBondContact O-N 3.22Å
91	H	96.3	Very high	92.7	Very high	57 Å²	57	45.1 Å²	45.1	26%	0.264	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.8	-171.9	-56.6	-57.8	0	0	0	111.7	K84 G89 E113 I114 K116	K84-H91 HydrophobicContact CD-CB 4.04Å; G89-H91 VanDerWaalsContact C-N 3.28Å; G89-H91 PolarHBondContact O-N 3.48Å; H91-E113 IonicContact CD2-OE2 3.76Å; H91-E113 IonicContact CG-OE2 3.63Å; H91-I114 CarbonylContact C-O 3.46Å; H91-I114 WeakPolarHBondContact CA-O 3.31Å; H91-I114 WeakPolarHBondContact CB-O 3.46Å; H91-K116 WeakPolarHBondContact O-CE 3.11Å
92	S	96.1	Very high	91.5	Very high	20 Å²	20	53.4 Å²	53.4	14%	0.14	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-35.4	176.5	54.4	0	0	0	0	112.1	K84 I114	K84-S92 PolarHBondContact N-O 3.47Å; S92-I114 PolarHBondContact N-O 3.02Å; S92-I114 PolarHBondContact OG-O 2.9Å
93	H	96.8	Very high	90.3	Very high	3 Å²	3	56.9 Å²	56.9	1%	0.014	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	157.2	-176.4	-58.3	81.2	0	0	0	111.2	V82 I114 D578 F579	V82-H93 CarbonylContact O-C 3.48Å; V82-H93 VanDerWaalsContact O-CA 3.29Å; V82-H93 WeakPolarHBondContact O-CA 3.31Å; H93-I114 HydrophobicContact CB-CB 4.05Å; H93-I114 HydrophobicContact CB-CD1 3.87Å; H93-I114 HydrophobicContact CB-CG1 4.31Å; H93-I114 PolarHBondContact O-N 3.04Å; H93-D578 IonicContact CE1-OD2 3.53Å; H93-D578 PolarHBondContact CE1-OD2 2.95Å; H93-D578 IonicContact NE2-OD2 3.36Å; H93-D578 PolarHBondContact NE2-OD2 2.86Å; H93-F579 AromaticContact CE1-CD2 3.97Å; H93-F579 AromaticContact CE1-CE2 3.78Å; H93-F579 AromaticContact ND1-CE2 3.76Å
94	R	97.3	Very high	89.4	Confident	7 Å²	7	53.8 Å²	53.8	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.4	155.7	-177	168.3	-75.9	-175.8	-5.6	108.3	V82 Y96 Y111 S112 E113 D187 F193 I194	V82-R94 PolarHBondContact N-O 3.33Å; V82-R94 PolarHBondContact O-N 2.97Å; R94-Y96 HydrophobicContact CB-CE2 4.37Å; R94-Y96 VanDerWaalsContact CD-OH 3.29Å; R94-Y96 WeakPolarHBondContact CD-OH 3.41Å; R94-Y96 HydrophobicContact CG-CD1 4.49Å; R94-Y96 HydrophobicContact CG-CE1 3.97Å; R94-Y96 HydrophobicContact CG-CE2 4.02Å; R94-Y111 HydrophobicContact CG-CD2 3.87Å; R94-Y111 HydrophobicContact CG-CG 4.27Å; R94-Y111 VanDerWaalsContact NE-CD2 3.35Å; R94-S112 WeakPolarHBondContact CA-O 2.99Å; R94-E113 IonicContact CZ-OE1 2.66Å; R94-E113 IonicContact NE-OE1 3.4Å; R94-E113 PolarHBondContact NE-OE1 2.85Å; R94-E113 IonicContact NH2-OE1 3.56Å; R94-E113 PolarHBondContact NH2-OE1 2.79Å; R94-D187 IonicContact CZ-OD2 3.89Å; R94-D187 VanDerWaalsContact NH1-CG 3.27Å; R94-D187 IonicContact NH1-OD1 3.78Å; R94-D187 PolarHBondContact NH1-OD1 2.99Å; R94-D187 IonicContact NH1-OD2 3.62Å; R94-D187 PolarHBondContact NH1-OD2 3.46Å; R94-F193 HydrophobicContact CB-CD1 4.2Å; R94-F193 HydrophobicContact CB-CE1 3.85Å; R94-I194 PolarHBondContact NH1-O 2.75Å; R94-I194 VanDerWaalsContact NH1-O 3.12Å; R94-I194 PolarHBondContact NH2-O 3.27Å
95	L	97.9	Very high	88.6	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	115.4	177.1	178.1	64	0	0	0	108.7	F79 F81 Y97 Y111 S112 I114 V581 L616	F79-L95 HydrophobicContact CB-CD1 4.06Å; F79-L95 HydrophobicContact CD1-CD1 4.07Å; F79-L95 HydrophobicContact CD1-CD2 4.11Å; F79-L95 HydrophobicContact CD1-CG 4.22Å; F81-L95 HydrophobicContact CD1-CD1 3.91Å; F81-L95 HydrophobicContact CD2-CD1 3.87Å; F81-L95 HydrophobicContact CE1-CD1 3.86Å; F81-L95 HydrophobicContact CE2-CD1 3.83Å; F81-L95 HydrophobicContact CG-CD1 3.93Å; F81-L95 HydrophobicContact CZ-CD1 3.85Å; L95-Y97 HydrophobicContact CG-CD1 4.1Å; L95-Y97 WeakPolarHBondContact O-CD1 3.31Å; L95-Y97 WeakPolarHBondContact O-CE1 3.49Å; L95-Y111 CarbonylContact O-C 3.59Å; L95-Y111 WeakPolarHBondContact O-CA 3.46Å; L95-S112 PolarHBondContact N-O 3.09Å; L95-S112 PolarHBondContact O-N 2.94Å; L95-I114 HydrophobicContact CB-CD1 3.9Å; L95-I114 HydrophobicContact CB-CG1 4.34Å; L95-V581 HydrophobicContact CD2-CG2 3.94Å; L95-L616 HydrophobicContact CD2-CD1 3.77Å; L95-L616 HydrophobicContact CD2-CD2 4.3Å
96	Y	97.9	Very high	88.5	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	148.6	174.4	-55.2	-84.5	0	0	0	110.8	F79 Q80 V82 R94 L110 M131 F174 D187	F79-Y96 CarbonylContact C-O 3.59Å; F79-Y96 VanDerWaalsContact CA-O 3.32Å; F79-Y96 WeakPolarHBondContact CA-O 3.23Å; Q80-Y96 PolarHBondContact N-O 3.32Å; Q80-Y96 PolarHBondContact O-N 3.21Å; V82-Y96 HydrophobicContact CB-CE2 3.95Å; V82-Y96 HydrophobicContact CG2-CD2 3.92Å; V82-Y96 HydrophobicContact CG2-CE2 3.54Å; R94-Y96 HydrophobicContact CB-CE2 4.37Å; R94-Y96 VanDerWaalsContact CD-OH 3.29Å; R94-Y96 WeakPolarHBondContact CD-OH 3.41Å; R94-Y96 HydrophobicContact CG-CD1 4.49Å; R94-Y96 HydrophobicContact CG-CE1 3.97Å; R94-Y96 HydrophobicContact CG-CE2 4.02Å; Y96-L110 WeakPolarHBondContact CA-O 3.5Å; Y96-M131 HydrophobicContact CD1-SD 4.32Å; Y96-M131 HydrophobicContact CE1-CE 4.4Å; Y96-M131 HydrophobicContact CE1-SD 4.47Å; Y96-F174 HydrophobicContact CD1-CE1 4.28Å; Y96-F174 HydrophobicContact CD1-CE2 4.48Å; Y96-F174 AromaticContact CD1-CZ 3.66Å; Y96-F174 HydrophobicContact CD1-CZ 3.66Å; Y96-F174 AromaticContact CD2-CZ 3.88Å; Y96-F174 HydrophobicContact CD2-CZ 3.88Å; Y96-F174 HydrophobicContact CE1-CE2 4.28Å; Y96-F174 AromaticContact CE1-CZ 3.85Å; Y96-F174 HydrophobicContact CE1-CZ 3.85Å; Y96-F174 HydrophobicContact CE2-CZ 4.04Å; Y96-F174 HydrophobicContact CG-CE1 4.14Å; Y96-F174 AromaticContact CG-CZ 3.66Å; Y96-F174 HydrophobicContact CG-CZ 3.66Å; Y96-D187 HydrophobicContact CE1-CB 4.19Å; Y96-D187 WeakPolarHBondContact CE1-OD2 3.34Å; Y96-D187 PolarHBondContact OH-O 3.13Å; Y96-D187 PolarHBondContact OH-OD2 2.58Å
97	Y	97.4	Very high	88.7	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	161.1	-179.9	47.9	-86.2	0	0	0	111.2	P76 H77 F79 L95 L110 S112 W128 L616	P76-Y97 HydrophobicContact CB-CD2 3.69Å; P76-Y97 HydrophobicContact CB-CE2 4.1Å; P76-Y97 HydrophobicContact CB-CG 4.24Å; P76-Y97 HydrophobicContact CG-CD2 4.25Å; P76-Y97 HydrophobicContact CG-CE2 4.19Å; H77-Y97 WeakPolarHBondContact O-CA 2.93Å; H77-Y97 VanDerWaalsContact O-CB 3.28Å; H77-Y97 WeakPolarHBondContact O-CB 3.41Å; F79-Y97 HydrophobicContact CD1-CD1 4.32Å; F79-Y97 HydrophobicContact CD1-CG 4.26Å; F79-Y97 HydrophobicContact CE1-CD1 4.38Å; F79-Y97 HydrophobicContact CE1-CG 4.16Å; L95-Y97 HydrophobicContact CG-CD1 4.1Å; L95-Y97 WeakPolarHBondContact O-CD1 3.31Å; L95-Y97 WeakPolarHBondContact O-CE1 3.49Å; Y97-L110 HydrophobicContact CD2-CB 3.8Å; Y97-L110 HydrophobicContact CD2-CD1 4.31Å; Y97-L110 HydrophobicContact CE2-CB 3.47Å; Y97-L110 VanDerWaalsContact CE2-CB 3.47Å; Y97-L110 HydrophobicContact CE2-CD1 3.83Å; Y97-L110 HydrophobicContact CE2-CG 4.29Å; Y97-L110 PolarHBondContact N-O 3.41Å; Y97-L110 PolarHBondContact O-N 3.06Å; Y97-S112 PolarHBondContact OH-OG 3.37Å; Y97-W128 HydrophobicContact CE2-CD2 4.31Å; Y97-W128 HydrophobicContact CE2-CG 4.26Å; Y97-W128 VanDerWaalsContact OH-CG 3.29Å; Y97-L616 HydrophobicContact CE1-CD2 3.77Å
98	L	95.6	Very high	89.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	140.6	164.2	-67.7	178.1	0	0	0	110.1	P76 H77 D78 S108 L109 I162 Y165	P76-L98 VanDerWaalsContact CA-O 3.32Å; P76-L98 WeakPolarHBondContact CA-O 3.38Å; H77-L98 PolarHBondContact N-O 3.33Å; H77-L98 PolarHBondContact ND1-O 3.15Å; H77-L98 WeakPolarHBondContact NE2-CB 3.4Å; H77-L98 PolarHBondContact O-N 3.03Å; D78-L98 HydrophobicContact CB-CD1 4.35Å; D78-L98 HydrophobicContact CB-CG 4.42Å; D78-L98 WeakPolarHBondContact OD2-CD1 3.5Å; L98-S108 WeakPolarHBondContact CA-O 3.43Å; L98-L109 HydrophobicContact CD2-CD2 3.66Å; L98-L109 HydrophobicContact CD2-CG 3.97Å; L98-L109 HydrophobicContact CG-CD2 4.5Å; L98-I162 HydrophobicContact CD2-CB 4.15Å; L98-I162 HydrophobicContact CD2-CG2 3.8Å; L98-Y165 HydrophobicContact CD1-CD1 4.15Å; L98-Y165 HydrophobicContact CD2-CD1 4.14Å; L98-Y165 HydrophobicContact CG-CD1 3.89Å; L98-Y165 HydrophobicContact CG-CE1 4.09Å
99	G	92.4	Very high	89.5	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	169.3	172.6	0	0	0	0	0	112.3	P101 N107 S108	G99-P101 WeakPolarHBondContact O-CD 3.42Å; G99-N107 VanDerWaalsContact CA-OD1 3.28Å; G99-N107 WeakPolarHBondContact CA-OD1 3.44Å; G99-N107 PolarHBondContact N-OD1 3.01Å; G99-N107 PolarHBondContact O-OD1 3.43Å; G99-S108 PolarHBondContact N-O 3.3Å; G99-S108 VanDerWaalsContact N-O 3.09Å; G99-S108 PolarHBondContact O-N 3.24Å
100	M	89.1	Confident	89.7	Confident	20 Å²	20	38.7 Å²	38.7	10%	0.099	21%	0.206	C	C	.	.			trans	-96.3	111.5	174.6	-65.7	176.3	-169.2	0	0	110.1	K74 A159	K74-M100 HydrophobicContact CB-CE 3.33Å; K74-M100 HydrophobicContact CB-CG 4.07Å; K74-M100 HydrophobicContact CB-SD 3.83Å; K74-M100 HydrophobicContact CD-CE 4.33Å; K74-M100 HydrophobicContact CG-CE 4.44Å; K74-M100 PolarHBondContact N-SD 3.18Å; M100-A159 HydrophobicContact CE-CB 3.55Å
101	P	79.1	Confident	89.8	Confident	16 Å²	16	34.6 Å²	34.6	10%	0.104	18%	0.179	C	C	.	.			trans	-57.2	148.6	174.6	-16.3	24.1	0	0	0	111.9	G99 G103 S104 L110	G99-P101 WeakPolarHBondContact O-CD 3.42Å; P101-G103 PolarHBondContact O-N 3.16Å; P101-S104 WeakPolarHBondContact O-CB 3.48Å; P101-S104 PolarHBondContact O-N 3.42Å; P101-L110 HydrophobicContact CG-CD2 4.26Å
102	Y	71.5	Confident	89.8	Confident	182 Å²	182	31.9 Å²	31.9	71%	0.714	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	125.7	174.7	-69.3	-76.2	0	0	0	111.5	S104	Y102-S104 VanDerWaalsContact C-N 3.3Å
103	G	69.1	Low	89.9	Confident	89 Å²	89	31.8 Å²	31.8	92%	0.918	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	-3.5	-178.3	0	0	0	0	0	115	P101	P101-G103 PolarHBondContact O-N 3.16Å
104	S	75.6	Confident	89.9	Confident	40 Å²	40	31.6 Å²	31.6	28%	0.28	16%	0.163	S	C	.	.			trans	-97.2	150.7	170.5	-175.8	0	0	0	0	111	P101 Y102 E106	P101-S104 WeakPolarHBondContact O-CB 3.48Å; P101-S104 PolarHBondContact O-N 3.42Å; Y102-S104 VanDerWaalsContact C-N 3.3Å; S104-E106 PolarHBondContact OG-N 3.23Å; S104-E106 VanDerWaalsContact OG-N 3.08Å; S104-E106 PolarHBondContact OG-O 2.97Å
105	R	76	Confident	89.9	Confident	225 Å²	225	32.2 Å²	32.2	85%	0.849	17%	0.168	S	C	*	.			trans	-103.4	1.1	169.6	-64.9	-174.5	178.9	-171.3	-0.3	112.8
106	E	85.6	Confident	89.8	Confident	42 Å²	42	35.6 Å²	35.6	20%	0.196	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.6	-177.8	-57.1	-164.8	160.1	0	0	111.2	S104 A137 T138	S104-E106 PolarHBondContact OG-N 3.23Å; S104-E106 VanDerWaalsContact OG-N 3.08Å; S104-E106 PolarHBondContact OG-O 2.97Å; E106-A137 PolarHBondContact OE2-N 3.39Å; E106-A137 VanDerWaalsContact OE2-N 3.08Å; E106-T138 WeakPolarHBondContact OE1-CB 3.38Å; E106-T138 PolarHBondContact OE1-N 2.94Å; E106-T138 PolarHBondContact OE1-OG1 3.19Å
107	N	90.9	Very high	89.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	133.6	167.9	-155.9	41.6	0	0	0	109.3	H77 G99 F160 I162	H77-N107 PolarHBondContact CE1-ND2 2.88Å; H77-N107 PolarHBondContact CE1-OD1 3.43Å; H77-N107 PolarHBondContact NE2-ND2 3.38Å; G99-N107 VanDerWaalsContact CA-OD1 3.28Å; G99-N107 WeakPolarHBondContact CA-OD1 3.44Å; G99-N107 PolarHBondContact N-OD1 3.01Å; G99-N107 PolarHBondContact O-OD1 3.43Å; N107-F160 VanDerWaalsContact CB-O 3.24Å; N107-F160 WeakPolarHBondContact CB-O 3.2Å; N107-F160 PolarHBondContact N-O 3.16Å; N107-I162 WeakPolarHBondContact CB-O 2.91Å; N107-I162 PolarHBondContact ND2-O 3.44Å; N107-I162 PolarHBondContact O-N 3.16Å
108	S	92.9	Very high	89.3	Confident	17 Å²	17	46 Å²	46	12%	0.119	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	167.3	-176.2	-165.5	0	0	0	0	111.9	L98 G99	L98-S108 WeakPolarHBondContact CA-O 3.43Å; G99-S108 PolarHBondContact N-O 3.3Å; G99-S108 VanDerWaalsContact N-O 3.09Å; G99-S108 PolarHBondContact O-N 3.24Å
109	L	95.6	Very high	89.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	123.5	175.5	-76.6	169.1	0	0	0	110.9	L98 M131 L132 I162 Y165 F174 F176	L98-L109 HydrophobicContact CD2-CD2 3.66Å; L98-L109 HydrophobicContact CD2-CG 3.97Å; L98-L109 HydrophobicContact CG-CD2 4.5Å; L109-M131 HydrophobicContact CB-CB 4.09Å; L109-M131 HydrophobicContact CB-SD 4.03Å; L109-M131 HydrophobicContact CD1-SD 4.29Å; L109-M131 VanDerWaalsContact O-CB 3.27Å; L109-M131 WeakPolarHBondContact O-CB 3.47Å; L109-M131 PolarHBondContact O-N 3.09Å; L109-M131 VanDerWaalsContact O-N 3.09Å; L109-L132 HydrophobicContact CB-CD1 4.36Å; L109-L132 HydrophobicContact CB-CG 4.32Å; L109-L132 HydrophobicContact CD1-CD1 4.42Å; L109-I162 HydrophobicContact CD1-CD1 4.42Å; L109-I162 HydrophobicContact CG-CD1 4.27Å; L109-Y165 HydrophobicContact CD2-CD1 3.64Å; L109-Y165 HydrophobicContact CD2-CD2 4.43Å; L109-Y165 HydrophobicContact CD2-CE1 4.02Å; L109-Y165 HydrophobicContact CD2-CG 3.87Å; L109-F174 HydrophobicContact CD1-CD1 4.45Å; L109-F174 HydrophobicContact CD2-CD1 4.44Å; L109-F176 HydrophobicContact CD1-CD1 3.6Å; L109-F176 HydrophobicContact CD1-CE1 3.51Å; L109-F176 HydrophobicContact CD1-CG 4.33Å; L109-F176 HydrophobicContact CD1-CZ 4.16Å
110	L	95.6	Very high	88.8	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	160	-178.3	-59.2	177.8	0	0	0	110.3	Y96 Y97 P101 W128 K129 Q130	Y96-L110 WeakPolarHBondContact CA-O 3.5Å; Y97-L110 HydrophobicContact CD2-CB 3.8Å; Y97-L110 HydrophobicContact CD2-CD1 4.31Å; Y97-L110 HydrophobicContact CE2-CB 3.47Å; Y97-L110 VanDerWaalsContact CE2-CB 3.47Å; Y97-L110 HydrophobicContact CE2-CD1 3.83Å; Y97-L110 HydrophobicContact CE2-CG 4.29Å; Y97-L110 PolarHBondContact N-O 3.41Å; Y97-L110 PolarHBondContact O-N 3.06Å; P101-L110 HydrophobicContact CG-CD2 4.26Å; L110-W128 HydrophobicContact CD1-CB 4.4Å; L110-W128 HydrophobicContact CD1-CD2 4.35Å; L110-W128 HydrophobicContact CD1-CE3 3.8Å; L110-K129 CarbonylContact C-O 3.49Å; L110-K129 WeakPolarHBondContact CA-O 3.42Å; L110-Q130 HydrophobicContact CD2-CB 4.45Å; L110-Q130 HydrophobicContact CD2-CG 3.95Å
111	Y	97.1	Very high	88.7	Confident	7 Å²	7	70.6 Å²	70.6	3%	0.027	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157.6	169.7	71.9	-86.8	0	0	0	113.1	R94 L95 K129 M131 I194	R94-Y111 HydrophobicContact CG-CD2 3.87Å; R94-Y111 HydrophobicContact CG-CG 4.27Å; R94-Y111 VanDerWaalsContact NE-CD2 3.35Å; L95-Y111 CarbonylContact O-C 3.59Å; L95-Y111 WeakPolarHBondContact O-CA 3.46Å; Y111-K129 HydrophobicContact CD1-CB 3.99Å; Y111-K129 HydrophobicContact CD2-CB 4.1Å; Y111-K129 HydrophobicContact CD2-CD 4.12Å; Y111-K129 HydrophobicContact CE1-CB 3.62Å; Y111-K129 HydrophobicContact CE2-CB 3.77Å; Y111-K129 HydrophobicContact CE2-CD 3.35Å; Y111-K129 HydrophobicContact CE2-CG 4.17Å; Y111-K129 HydrophobicContact CG-CB 4.21Å; Y111-K129 PolarHBondContact N-O 2.63Å; Y111-K129 WeakPolarHBondContact O-CB 3.39Å; Y111-K129 PolarHBondContact O-N 2.64Å; Y111-M131 HydrophobicContact CD1-CB 4.23Å; Y111-I194 HydrophobicContact CE1-CD1 4.26Å; Y111-I194 HydrophobicContact CE1-CG1 4.4Å
112	S	97.4	Very high	89.1	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	152.5	172.9	-80.8	0	0	0	0	111	R94 L95 Y97 S127	R94-S112 WeakPolarHBondContact CA-O 2.99Å; L95-S112 PolarHBondContact N-O 3.09Å; L95-S112 PolarHBondContact O-N 2.94Å; Y97-S112 PolarHBondContact OH-OG 3.37Å; S112-S127 PolarHBondContact OG-O 2.9Å; S112-S127 VanDerWaalsContact OG-O 3.1Å
113	E	97.3	Very high	90.1	Very high	17 Å²	17	68.9 Å²	68.9	8%	0.079	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.2	179.2	-66.6	-68.6	176.3	0	0	110.6	K84 H91 R94	K84-E113 VanDerWaalsContact CE-OE2 3.32Å; K84-E113 WeakPolarHBondContact CE-OE2 3.39Å; K84-E113 IonicContact NZ-OE1 2.99Å; K84-E113 PolarHBondContact NZ-OE1 3.1Å; K84-E113 IonicContact NZ-OE2 3.02Å; K84-E113 PolarHBondContact NZ-OE2 2.93Å; H91-E113 IonicContact CD2-OE2 3.76Å; H91-E113 IonicContact CG-OE2 3.63Å; R94-E113 IonicContact CZ-OE1 2.66Å; R94-E113 IonicContact NE-OE1 3.4Å; R94-E113 PolarHBondContact NE-OE1 2.85Å; R94-E113 IonicContact NH2-OE1 3.56Å; R94-E113 PolarHBondContact NH2-OE1 2.79Å
114	I	97.6	Very high	91.3	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	117.7	-179.9	-59.5	174.9	0	0	0	108.6	F81 H91 S92 H93 L95 F579 L595	F81-I114 HydrophobicContact CD1-CD1 4.08Å; F81-I114 HydrophobicContact CE1-CD1 3.92Å; H91-I114 CarbonylContact C-O 3.46Å; H91-I114 WeakPolarHBondContact CA-O 3.31Å; H91-I114 WeakPolarHBondContact CB-O 3.46Å; S92-I114 PolarHBondContact N-O 3.02Å; S92-I114 PolarHBondContact OG-O 2.9Å; H93-I114 HydrophobicContact CB-CB 4.05Å; H93-I114 HydrophobicContact CB-CD1 3.87Å; H93-I114 HydrophobicContact CB-CG1 4.31Å; H93-I114 PolarHBondContact O-N 3.04Å; L95-I114 HydrophobicContact CB-CD1 3.9Å; L95-I114 HydrophobicContact CB-CG1 4.34Å; I114-F579 HydrophobicContact CG2-CE1 4.18Å; I114-F579 HydrophobicContact CG2-CE2 4.49Å; I114-F579 HydrophobicContact CG2-CZ 3.97Å; I114-L595 HydrophobicContact CB-CD2 4.43Å; I114-L595 HydrophobicContact CD1-CD1 4.31Å; I114-L595 HydrophobicContact CD1-CD2 3.57Å; I114-L595 HydrophobicContact CG1-CD2 3.71Å; I114-L595 HydrophobicContact CG2-CD2 3.88Å
115	P	96.7	Very high	92.2	Very high	19 Å²	19	69.5 Å²	69.5	12%	0.123	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	152.3	-179	31.9	-36.5	0	0	0	112.3	P90 K117 V118 L124 W613	P90-P115 WeakPolarHBondContact O-CA 3.46Å; P115-K117 VanDerWaalsContact C-N 3.31Å; P115-V118 HydrophobicContact CG-CG1 3.66Å; P115-L124 HydrophobicContact CG-CD2 3.55Å; P115-W613 WeakPolarHBondContact O-CZ2 3.32Å; P115-W613 PolarHBondContact O-NE1 3.16Å
116	K	95	Very high	93.2	Very high	71 Å²	71	59.3 Å²	59.3	31%	0.309	29%	0.288	S	S	.	.	S	Bend	trans	-68.7	-28.1	173.3	-72.2	179.1	178.8	163.6	0	113.3	D86 E87 G89 P90 H91 W613	D86-K116 PolarHBondContact O-NZ 2.73Å; E87-K116 PolarHBondContact O-NZ 2.75Å; G89-K116 WeakPolarHBondContact O-CD 3.27Å; G89-K116 VanDerWaalsContact O-CE 3.24Å; G89-K116 WeakPolarHBondContact O-CE 3.35Å; G89-K116 PolarHBondContact O-NZ 2.88Å; P90-K116 PolarHBondContact O-N 3.22Å; H91-K116 WeakPolarHBondContact O-CE 3.11Å; K116-W613 WeakPolarHBondContact O-CZ2 3.37Å
117	K	92.9	Very high	93.6	Very high	186 Å²	186	60.8 Å²	60.8	81%	0.809	30%	0.303	S	S	*	.			trans	-137.9	139.8	-178.6	-63.3	-177.8	-178.6	178.7	0	109.9	P115	P115-K117 VanDerWaalsContact C-N 3.31Å
118	V	93.1	Very high	93.7	Very high	34 Å²	34	63.2 Å²	63.2	21%	0.206	31%	0.312	C	S	.	.			trans	-123	148.4	174.9	-64.4	0	0	0	0	109.8	P115 L124 W613	P115-V118 HydrophobicContact CG-CG1 3.66Å; V118-L124 HydrophobicContact CG1-CD2 3.74Å; V118-W613 HydrophobicContact CG1-CD2 4.05Å; V118-W613 HydrophobicContact CG1-CG 4.29Å; V118-W613 HydrophobicContact CG1-CZ2 4.11Å; V118-W613 HydrophobicContact CG2-CD2 3.92Å; V118-W613 HydrophobicContact CG2-CE3 3.75Å; V118-W613 HydrophobicContact CG2-CH2 4.03Å; V118-W613 HydrophobicContact CG2-CZ2 4.2Å; V118-W613 HydrophobicContact CG2-CZ3 3.8Å
119	R	90.3	Very high	93.8	Very high	205 Å²	205	66 Å²	66	77%	0.774	32%	0.322	S	S	*	.			trans	-83.2	115.6	172.2	-68.1	-176.7	-178.9	-178.7	0.3	107.9	E121 A122	R119-E121 PolarHBondContact O-N 3.19Å; R119-A122 PolarHBondContact O-N 3.42Å
120	K	85.8	Confident	93.7	Very high	160 Å²	160	70 Å²	70	70%	0.696	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-18.4	-172.5	-59.9	-164.4	-175.9	-156.9	0	113.1	E611	K120-E611 WeakPolarHBondContact CE-OE1 3.46Å; K120-E611 IonicContact NZ-OE1 2.78Å; K120-E611 PolarHBondContact NZ-OE1 3.48Å; K120-E611 IonicContact NZ-OE2 2.88Å
121	E	86.9	Confident	93.7	Very high	171 Å²	171	70 Å²	70	80%	0.799	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-8.5	-178.7	-50.6	76.5	-165.2	0	0	113.4	R119	R119-E121 PolarHBondContact O-N 3.19Å
122	A	88.6	Confident	93.5	Very high	62 Å²	62	69.8 Å²	69.8	51%	0.512	34%	0.34	S	S	.	.	S	Bend	trans	-129.7	139.2	-175.1	0	0	0	0	0	111.7	R119 L124	R119-A122 PolarHBondContact O-N 3.42Å; A122-L124 PolarHBondContact O-N 2.81Å
123	L	91.3	Very high	93	Very high	99 Å²	99	72.2 Å²	72.2	52%	0.518	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-69.8	116.3	171.4	179.6	64.5	0	0	0	109.6	V125 F612 E618	L123-V125 HydrophobicContact CD2-CG2 4.28Å; L123-V125 HydrophobicContact CG-CG2 4.22Å; L123-F612 HydrophobicContact CD1-CE1 3.88Å; L123-F612 HydrophobicContact CD1-CZ 3.48Å; L123-F612 VanDerWaalsContact CD1-CZ 3.48Å; L123-E618 HydrophobicContact CD2-CG 4.26Å
124	L	95.4	Very high	92.2	Very high	61 Å²	61	79.7 Å²	79.7	32%	0.319	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-88.6	120.4	170.3	177.4	64.8	0	0	0	109.7	P115 V118 A122 L126 A614 S615	P115-L124 HydrophobicContact CG-CD2 3.55Å; V118-L124 HydrophobicContact CG1-CD2 3.74Å; A122-L124 PolarHBondContact O-N 2.81Å; L124-L126 HydrophobicContact CD2-CD2 4.01Å; L124-L126 HydrophobicContact CG-CD2 4.18Å; L124-A614 HydrophobicContact CB-CB 4.3Å; L124-A614 HydrophobicContact CD2-CB 3.95Å; L124-A614 HydrophobicContact CG-CB 4.1Å; L124-A614 WeakPolarHBondContact O-CA 3.41Å; L124-S615 PolarHBondContact O-N 3.27Å
125	V	95.3	Very high	91.6	Very high	82 Å²	82	81.7 Å²	81.7	50%	0.497	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-103.9	123	170.7	-176.2	0	0	0	0	108.8	L123 S615	L123-V125 HydrophobicContact CD2-CG2 4.28Å; L123-V125 HydrophobicContact CG-CG2 4.22Å; V125-S615 CarbonylContact C-O 3.58Å; V125-S615 WeakPolarHBondContact CA-O 3.47Å
126	L	95.8	Very high	91	Very high	10 Å²	10	86.6 Å²	86.6	5%	0.052	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-77.1	128.7	179.1	-58.8	-175.3	0	0	0	110.2	L124 L595 A614 S615 L616	L124-L126 HydrophobicContact CD2-CD2 4.01Å; L124-L126 HydrophobicContact CG-CD2 4.18Å; L126-L595 HydrophobicContact CD1-CD2 4.31Å; L126-A614 HydrophobicContact CD1-CB 3.99Å; L126-A614 HydrophobicContact CD2-CB 3.76Å; L126-A614 HydrophobicContact CG-CB 3.68Å; L126-S615 PolarHBondContact N-O 2.78Å; L126-L616 HydrophobicContact CB-CD2 4.48Å; L126-L616 HydrophobicContact CD1-CD2 4.38Å; L126-L616 HydrophobicContact CD1-CG 4.25Å
127	S	93.8	Very high	90.4	Very high	74 Å²	74	83.3 Å²	83.3	52%	0.517	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-71.6	128.6	176.4	61.2	0	0	0	0	111.1	S112 K129	S112-S127 PolarHBondContact OG-O 2.9Å; S112-S127 VanDerWaalsContact OG-O 3.1Å; S127-K129 PolarHBondContact O-N 2.75Å
128	W	93.9	Very high	89.9	Confident	50 Å²	50	75 Å²	75	19%	0.189	37%	0.369	C	S	.	.			trans	-78.5	107.9	172.9	-61.8	9.1	0	0	0	109.8	P76 Y97 L110 L616 M617	P76-W128 HydrophobicContact CG-CH2 3.59Å; P76-W128 HydrophobicContact CG-CZ2 3.26Å; P76-W128 HydrophobicContact CG-CZ3 4.38Å; Y97-W128 HydrophobicContact CE2-CD2 4.31Å; Y97-W128 HydrophobicContact CE2-CG 4.26Å; Y97-W128 VanDerWaalsContact OH-CG 3.29Å; L110-W128 HydrophobicContact CD1-CB 4.4Å; L110-W128 HydrophobicContact CD1-CD2 4.35Å; L110-W128 HydrophobicContact CD1-CE3 3.8Å; W128-L616 WeakPolarHBondContact CZ2-O 3.3Å; W128-L616 PolarHBondContact NE1-O 3.18Å; W128-M617 HydrophobicContact CH2-SD 4.48Å; W128-M617 HydrophobicContact CZ2-CB 4.17Å; W128-M617 HydrophobicContact CZ2-CG 4.35Å
129	K	94.5	Very high	89.3	Confident	76 Å²	76	74.1 Å²	74.1	33%	0.33	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.9	177.7	-63.1	177.6	176.1	-177	0	109.2	L110 Y111 S127	L110-K129 CarbonylContact C-O 3.49Å; L110-K129 WeakPolarHBondContact CA-O 3.42Å; Y111-K129 HydrophobicContact CD1-CB 3.99Å; Y111-K129 HydrophobicContact CD2-CB 4.1Å; Y111-K129 HydrophobicContact CD2-CD 4.12Å; Y111-K129 HydrophobicContact CE1-CB 3.62Å; Y111-K129 HydrophobicContact CE2-CB 3.77Å; Y111-K129 HydrophobicContact CE2-CD 3.35Å; Y111-K129 HydrophobicContact CE2-CG 4.17Å; Y111-K129 HydrophobicContact CG-CB 4.21Å; Y111-K129 PolarHBondContact N-O 2.63Å; Y111-K129 WeakPolarHBondContact O-CB 3.39Å; Y111-K129 PolarHBondContact O-N 2.64Å; S127-K129 PolarHBondContact O-N 2.75Å
130	Q	93.5	Very high	88.4	Confident	84 Å²	84	71 Å²	71	39%	0.393	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	133.4	173.2	-70.9	-170.8	-5.8	0	0	110.1	L110 P197	L110-Q130 HydrophobicContact CD2-CB 4.45Å; L110-Q130 HydrophobicContact CD2-CG 3.95Å; Q130-P197 HydrophobicContact CB-CG 4.4Å
131	M	94.8	Very high	87.4	Confident	1 Å²	1	72 Å²	72	1%	0.005	37%	0.365	C	S	.	.	S	Bend	trans	-85.7	-34	172.9	-166.8	-178.3	-179.9	0	0	111.2	Y96 L109 Y111 F174 C185 D187 I194 P197 V198	Y96-M131 HydrophobicContact CD1-SD 4.32Å; Y96-M131 HydrophobicContact CE1-CE 4.4Å; Y96-M131 HydrophobicContact CE1-SD 4.47Å; L109-M131 HydrophobicContact CB-CB 4.09Å; L109-M131 HydrophobicContact CB-SD 4.03Å; L109-M131 HydrophobicContact CD1-SD 4.29Å; L109-M131 VanDerWaalsContact O-CB 3.27Å; L109-M131 WeakPolarHBondContact O-CB 3.47Å; L109-M131 PolarHBondContact O-N 3.09Å; L109-M131 VanDerWaalsContact O-N 3.09Å; Y111-M131 HydrophobicContact CD1-CB 4.23Å; M131-F174 HydrophobicContact CE-CD1 4.44Å; M131-F174 HydrophobicContact CE-CD2 3.41Å; M131-F174 VanDerWaalsContact CE-CD2 3.41Å; M131-F174 HydrophobicContact CE-CE1 4.45Å; M131-F174 HydrophobicContact CE-CE2 3.4Å; M131-F174 VanDerWaalsContact CE-CE2 3.4Å; M131-F174 HydrophobicContact CE-CG 3.97Å; M131-F174 HydrophobicContact CE-CZ 3.96Å; M131-F174 HydrophobicContact SD-CE2 4.44Å; M131-F174 HydrophobicContact SD-CZ 4.45Å; M131-C185 WeakPolarHBondContact CE-SG 3.17Å; M131-D187 HydrophobicContact CE-CB 3.5Å; M131-D187 VanDerWaalsContact CE-CB 3.5Å; M131-I194 HydrophobicContact CG-CD1 3.97Å; M131-P197 CarbonylContact O-C 3.5Å; M131-P197 WeakPolarHBondContact O-CA 3.17Å; M131-V198 WeakPolarHBondContact O-CG2 3.46Å; M131-V198 PolarHBondContact O-N 3.09Å
132	L	93.2	Very high	86.3	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.016	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-105.1	135.7	-174.1	-52.8	-178.9	0	0	0	112.1	L109 F135 I162 F176 V198 P200	L109-L132 HydrophobicContact CB-CD1 4.36Å; L109-L132 HydrophobicContact CB-CG 4.32Å; L109-L132 HydrophobicContact CD1-CD1 4.42Å; L132-F135 HydrophobicContact CB-CB 4.08Å; L132-F135 HydrophobicContact CD1-CD1 3.9Å; L132-I162 HydrophobicContact CD1-CD1 3.63Å; L132-F176 HydrophobicContact CD1-CE2 4.09Å; L132-F176 HydrophobicContact CD1-CZ 3.75Å; L132-F176 HydrophobicContact CD2-CZ 4.15Å; L132-V198 CarbonylContact C-O 3.54Å; L132-V198 VanDerWaalsContact CA-O 3.31Å; L132-V198 WeakPolarHBondContact CA-O 3.47Å; L132-P200 HydrophobicContact CD2-CB 4.2Å; L132-P200 HydrophobicContact CD2-CG 4.33Å
133	D	88.3	Confident	85.7	Confident	52 Å²	52	65 Å²	65	28%	0.278	34%	0.338	S	S	.	.	S	Bend	trans	-85.7	108.3	-178.6	-179.3	33.6	0	0	0	112.3	F135 P197 V198 K199	D133-F135 PolarHBondContact O-N 3.25Å; D133-P197 HydrophobicContact CB-CB 4.02Å; D133-V198 PolarHBondContact N-O 3.02Å; D133-K199 HydrophobicContact CB-CG 3.98Å; D133-K199 WeakPolarHBondContact OD2-CE 3.44Å
134	H	80.3	Confident	85.5	Confident	174 Å²	174	61.3 Å²	61.3	81%	0.806	32%	0.317	S	S	*	.	S	Bend	trans	44.1	40.1	174	-61	85	0	0	0	114.3
135	F	83.8	Confident	85.2	Confident	42 Å²	42	59.2 Å²	59.2	18%	0.184	31%	0.308	C	S	.	.			trans	-88.8	117.3	-174.2	-179.6	-112.6	0	0	0	111	L132 D133 A137 F176 A178 F183 P200	L132-F135 HydrophobicContact CB-CB 4.08Å; L132-F135 HydrophobicContact CD1-CD1 3.9Å; D133-F135 PolarHBondContact O-N 3.25Å; F135-A137 HydrophobicContact CD1-CB 4.04Å; F135-A137 HydrophobicContact CE1-CB 3.84Å; F135-A137 PolarHBondContact O-N 3.18Å; F135-F176 HydrophobicContact CE1-CE2 4.04Å; F135-A178 HydrophobicContact CE1-CB 3.44Å; F135-A178 VanDerWaalsContact CE1-CB 3.44Å; F135-A178 HydrophobicContact CZ-CB 3.5Å; F135-F183 HydrophobicContact CE2-CD1 4.04Å; F135-F183 AromaticContact CE2-CE1 3.7Å; F135-F183 HydrophobicContact CE2-CE1 3.7Å; F135-F183 HydrophobicContact CE2-CE2 4.24Å; F135-F183 HydrophobicContact CE2-CG 4.45Å; F135-F183 AromaticContact CE2-CZ 3.82Å; F135-F183 HydrophobicContact CE2-CZ 3.82Å; F135-F183 HydrophobicContact CZ-CD1 4.06Å; F135-F183 AromaticContact CZ-CD2 3.86Å; F135-F183 HydrophobicContact CZ-CD2 3.86Å; F135-F183 AromaticContact CZ-CE1 3.98Å; F135-F183 HydrophobicContact CZ-CE1 3.98Å; F135-F183 AromaticContact CZ-CE2 3.78Å; F135-F183 HydrophobicContact CZ-CE2 3.78Å; F135-F183 AromaticContact CZ-CG 4Å; F135-F183 HydrophobicContact CZ-CG 4Å; F135-F183 AromaticContact CZ-CZ 3.85Å; F135-F183 HydrophobicContact CZ-CZ 3.85Å; F135-P200 HydrophobicContact CB-CG 4.4Å; F135-P200 HydrophobicContact CD1-CG 4.23Å; F135-P200 HydrophobicContact CD2-CG 3.53Å; F135-P200 HydrophobicContact CE1-CG 4.39Å; F135-P200 HydrophobicContact CE2-CG 3.73Å; F135-P200 HydrophobicContact CG-CG 3.8Å; F135-P200 HydrophobicContact CZ-CG 4.16Å
136	Q	84.3	Confident	84.9	Confident	121 Å²	121	59.1 Å²	59.1	57%	0.565	30%	0.299	S	S	*	.			trans	-81.7	105.4	172.5	-176.9	176.8	-3.8	0	0	109	T138 S179	Q136-T138 PolarHBondContact NE2-O 3.14Å; Q136-S179 PolarHBondContact O-OG 2.83Å
137	A	83.3	Confident	84.6	Confident	3 Å²	3	63 Å²	63	3%	0.025	32%	0.317	C	S	.	.			trans	-88.2	-23.4	-176	0	0	0	0	0	112.7	E106 F135 I162 A178 S179	E106-A137 PolarHBondContact OE2-N 3.39Å; E106-A137 VanDerWaalsContact OE2-N 3.08Å; F135-A137 HydrophobicContact CD1-CB 4.04Å; F135-A137 HydrophobicContact CE1-CB 3.84Å; F135-A137 PolarHBondContact O-N 3.18Å; A137-I162 HydrophobicContact CB-CG1 4.01Å; A137-A178 HydrophobicContact CB-CB 4.08Å; A137-S179 PolarHBondContact O-N 2.87Å; A137-S179 PolarHBondContact O-OG 2.51Å
138	T	82.9	Confident	84.5	Confident	12 Å²	12	60.1 Å²	60.1	7%	0.074	30%	0.295	C	S	.	.	S	Bend	trans	-87.4	135.6	178.9	-44.9	0	0	0	0	110.7	E106 Q136 F160 G161	E106-T138 WeakPolarHBondContact OE1-CB 3.38Å; E106-T138 PolarHBondContact OE1-N 2.94Å; E106-T138 PolarHBondContact OE1-OG1 3.19Å; Q136-T138 PolarHBondContact NE2-O 3.14Å; T138-F160 HydrophobicContact CG2-CB 4.24Å; T138-F160 HydrophobicContact CG2-CD1 4.03Å; T138-F160 HydrophobicContact CG2-CG 4.49Å; T138-G161 PolarHBondContact OG1-N 3.17Å
139	P	79.4	Confident	84.4	Confident	14 Å²	14	60.7 Å²	60.7	9%	0.091	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-53.9	156.1	170	-22.7	31.2	0	0	0	112.7	Q141 G142 A143 Y144	P139-Q141 PolarHBondContact O-N 2.96Å; P139-G142 PolarHBondContact O-N 3.49Å; P139-A143 WeakPolarHBondContact CB-O 3.29Å; P139-Y144 VanDerWaalsContact CD-CE1 3.45Å; P139-Y144 HydrophobicContact CG-CD1 3.71Å; P139-Y144 HydrophobicContact CG-CE1 3.84Å; P139-Y144 HydrophobicContact CG-CG 4.36Å
140	H	71.3	Confident	84.4	Confident	141 Å²	141	58.5 Å²	58.5	65%	0.653	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-56.5	129.5	174.8	-172.8	-82.5	0	0	0	110.2	G142 A143	H140-G142 PolarHBondContact O-N 3.38Å; H140-G142 VanDerWaalsContact O-N 3.08Å; H140-A143 PolarHBondContact O-N 3.29Å
141	Q	64	Low	84.5	Confident	181 Å²	181	56 Å²	56	85%	0.846	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	57.3	13.1	-174.1	-70.3	168.5	-19.3	0	0	115.6	P139 A143	P139-Q141 PolarHBondContact O-N 2.96Å; Q141-A143 VanDerWaalsContact C-N 3.26Å; Q141-A143 PolarHBondContact O-N 3.44Å
142	G	64.1	Low	84.4	Confident	21 Å²	21	56.5 Å²	56.5	22%	0.216	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	69.6	22.2	-176.7	0	0	0	0	0	113.8	P139 H140 Y144	P139-G142 PolarHBondContact O-N 3.49Å; H140-G142 PolarHBondContact O-N 3.38Å; H140-G142 VanDerWaalsContact O-N 3.08Å; G142-Y144 VanDerWaalsContact C-N 3.27Å; G142-Y144 WeakPolarHBondContact O-CD2 3.24Å; G142-Y144 PolarHBondContact O-N 3.21Å
143	A	77.3	Confident	84.5	Confident	63 Å²	63	56.7 Å²	56.7	52%	0.521	28%	0.283	S	S	.	.			trans	-72.6	79.7	175.3	0	0	0	0	0	110.8	P139 H140 Q141	P139-A143 WeakPolarHBondContact CB-O 3.29Å; H140-A143 PolarHBondContact O-N 3.29Å; Q141-A143 VanDerWaalsContact C-N 3.26Å; Q141-A143 PolarHBondContact O-N 3.44Å
144	Y	86.6	Confident	84.8	Confident	22 Å²	22	54.6 Å²	54.6	9%	0.086	27%	0.271	C	S	.	.			trans	-71.9	158.2	173.1	-68.9	-72.4	0	0	0	110.6	P139 G142 E148 F160	P139-Y144 VanDerWaalsContact CD-CE1 3.45Å; P139-Y144 HydrophobicContact CG-CD1 3.71Å; P139-Y144 HydrophobicContact CG-CE1 3.84Å; P139-Y144 HydrophobicContact CG-CG 4.36Å; G142-Y144 VanDerWaalsContact C-N 3.27Å; G142-Y144 WeakPolarHBondContact O-CD2 3.24Å; G142-Y144 PolarHBondContact O-N 3.21Å; Y144-E148 HydrophobicContact CD1-CG 3.86Å; Y144-E148 WeakPolarHBondContact CD1-OE1 3.3Å; Y144-E148 HydrophobicContact CE1-CG 4.48Å; Y144-E148 WeakPolarHBondContact CE1-OE1 3.26Å; Y144-E148 HydrophobicContact CG-CG 4.37Å; Y144-F160 AromaticContact CE2-CD1 3.86Å; Y144-F160 HydrophobicContact CE2-CD1 3.86Å; Y144-F160 HydrophobicContact CE2-CE1 4.06Å
145	S	89.1	Confident	85.5	Confident	18 Å²	18	49.5 Å²	49.5	13%	0.126	25%	0.247	C	C	.	.			trans	-69.2	157.9	167.9	88.5	0	0	0	0	110.5	E147 E148 E149 N180 T210	S145-E147 WeakPolarHBondContact CB-OE2 3.42Å; S145-E147 PolarHBondContact O-N 3.49Å; S145-E147 PolarHBondContact OG-OE2 2.89Å; S145-E148 PolarHBondContact O-N 2.94Å; S145-E149 PolarHBondContact O-N 2.82Å; S145-N180 PolarHBondContact N-OD1 3.4Å; S145-T210 WeakPolarHBondContact CB-OG1 3.41Å; S145-T210 PolarHBondContact OG-OG1 2.89Å
146	R	88.9	Confident	85.9	Confident	79 Å²	79	53.7 Å²	53.7	30%	0.298	26%	0.262	S	S	.	.	H	α-helix	trans	-54.2	-41.5	-180	-179	179.7	175.1	-146.7	-3.2	111.8	E149 L150 D323 A324 Y325	R146-E149 PolarHBondContact O-N 3.2Å; R146-L150 HydrophobicContact CG-CD1 3.9Å; R146-L150 HydrophobicContact CG-CG 4.39Å; R146-L150 WeakPolarHBondContact O-CB 3.43Å; R146-L150 VanDerWaalsContact O-CG 3.24Å; R146-L150 WeakPolarHBondContact O-CG 3.29Å; R146-L150 PolarHBondContact O-N 3.37Å; R146-D323 IonicContact NE-OD2 3.86Å; R146-A324 PolarHBondContact NH2-O 3.4Å; R146-A324 VanDerWaalsContact NH2-O 3.12Å; R146-Y325 VanDerWaalsContact NH2-CZ 3.32Å
147	E	90.3	Very high	86.2	Confident	93 Å²	93	49.5 Å²	49.5	44%	0.435	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-41.4	179.7	-57	68.8	-146.8	0	0	111.3	S145 L151 M212	S145-E147 WeakPolarHBondContact CB-OE2 3.42Å; S145-E147 PolarHBondContact O-N 3.49Å; S145-E147 PolarHBondContact OG-OE2 2.89Å; E147-L151 VanDerWaalsContact O-CB 3.26Å; E147-L151 WeakPolarHBondContact O-CB 3.44Å; E147-L151 PolarHBondContact O-N 3.46Å; E147-M212 HydrophobicContact CB-CE 4.23Å; E147-M212 HydrophobicContact CB-CG 4.2Å; E147-M212 HydrophobicContact CB-SD 4.28Å
148	E	91.5	Very high	86.2	Confident	13 Å²	13	52 Å²	52	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-70.9	-40.9	177.2	-174.6	169.1	170.7	0	0	111.7	Y144 S145 L151 R152 Q177 N180 M212	Y144-E148 HydrophobicContact CD1-CG 3.86Å; Y144-E148 WeakPolarHBondContact CD1-OE1 3.3Å; Y144-E148 HydrophobicContact CE1-CG 4.48Å; Y144-E148 WeakPolarHBondContact CE1-OE1 3.26Å; Y144-E148 HydrophobicContact CG-CG 4.37Å; S145-E148 PolarHBondContact O-N 2.94Å; E148-L151 PolarHBondContact O-N 2.91Å; E148-R152 HydrophobicContact CG-CG 4.41Å; E148-R152 WeakPolarHBondContact O-CB 3.26Å; E148-R152 WeakPolarHBondContact O-CD 3.37Å; E148-R152 WeakPolarHBondContact O-CG 3.49Å; E148-R152 PolarHBondContact O-N 2.83Å; E148-Q177 VanDerWaalsContact CD-NE2 3.33Å; E148-Q177 PolarHBondContact OE2-NE2 3.16Å; E148-N180 PolarHBondContact OE2-OD1 2.89Å; E148-M212 HydrophobicContact CB-CE 4.08Å; E148-M212 HydrophobicContact CB-SD 4.32Å
149	E	91.9	Very high	86.2	Confident	62 Å²	62	52.2 Å²	52.2	29%	0.29	27%	0.272	S	S	.	.	H	α-helix	trans	-59	-48.8	173.9	-69.2	-172.8	169.3	0	0	112	S145 R146 R152 E153	S145-E149 PolarHBondContact O-N 2.82Å; R146-E149 PolarHBondContact O-N 3.2Å; E149-R152 WeakPolarHBondContact O-CB 3.11Å; E149-R152 PolarHBondContact O-N 2.97Å; E149-E153 PolarHBondContact O-N 3.11Å
150	L	94	Very high	86.5	Confident	29 Å²	29	56 Å²	56	15%	0.152	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-43.4	178.7	-70	173.8	0	0	0	111.3	R146 R152 E153 R154 Y325 E830	R146-L150 HydrophobicContact CG-CD1 3.9Å; R146-L150 HydrophobicContact CG-CG 4.39Å; R146-L150 WeakPolarHBondContact O-CB 3.43Å; R146-L150 VanDerWaalsContact O-CG 3.24Å; R146-L150 WeakPolarHBondContact O-CG 3.29Å; R146-L150 PolarHBondContact O-N 3.37Å; L150-R152 VanDerWaalsContact C-N 3.26Å; L150-R152 PolarHBondContact O-N 3.4Å; L150-E153 WeakPolarHBondContact O-CB 3.5Å; L150-E153 PolarHBondContact O-N 3.49Å; L150-E153 VanDerWaalsContact O-N 3.12Å; L150-R154 WeakPolarHBondContact O-CG 2.99Å; L150-R154 PolarHBondContact O-N 3Å; L150-R154 PolarHBondContact O-NH1 3.39Å; L150-Y325 HydrophobicContact CD1-CE1 3.74Å; L150-Y325 HydrophobicContact CD2-CE1 3.88Å; L150-Y325 HydrophobicContact CG-CE1 4.49Å; L150-E830 HydrophobicContact CD2-CG 4.04Å
151	L	94.3	Very high	87.4	Confident	32 Å²	32	49.5 Å²	49.5	17%	0.168	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-37.4	175.8	-176.7	66.5	0	0	0	111.8	E147 E148 E153 R154 K155 M212 F276	E147-L151 VanDerWaalsContact O-CB 3.26Å; E147-L151 WeakPolarHBondContact O-CB 3.44Å; E147-L151 PolarHBondContact O-N 3.46Å; E148-L151 PolarHBondContact O-N 2.91Å; L151-E153 VanDerWaalsContact C-N 3.35Å; L151-R154 PolarHBondContact O-N 3.47Å; L151-K155 HydrophobicContact CD1-CD 4.25Å; L151-K155 HydrophobicContact CD1-CG 4.28Å; L151-K155 HydrophobicContact CG-CD 4.22Å; L151-K155 HydrophobicContact CG-CG 4.49Å; L151-K155 WeakPolarHBondContact O-CB 3.18Å; L151-K155 PolarHBondContact O-N 3.38Å; L151-M212 HydrophobicContact CB-CE 4.23Å; L151-M212 HydrophobicContact CD2-CE 3.66Å; L151-F276 HydrophobicContact CD1-CB 4.14Å; L151-F276 HydrophobicContact CD1-CD1 4.18Å; L151-F276 HydrophobicContact CD1-CG 4.49Å
152	R	93.5	Very high	88.8	Confident	11 Å²	11	40.9 Å²	40.9	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-69	-30.5	176.3	-70.6	165.7	65.5	75.9	6.7	112.6	E148 E149 L150 R156 L157 A159 R864	E148-R152 HydrophobicContact CG-CG 4.41Å; E148-R152 WeakPolarHBondContact O-CB 3.26Å; E148-R152 WeakPolarHBondContact O-CD 3.37Å; E148-R152 WeakPolarHBondContact O-CG 3.49Å; E148-R152 PolarHBondContact O-N 2.83Å; E149-R152 WeakPolarHBondContact O-CB 3.11Å; E149-R152 PolarHBondContact O-N 2.97Å; L150-R152 VanDerWaalsContact C-N 3.26Å; L150-R152 PolarHBondContact O-N 3.4Å; R152-R156 PolarHBondContact O-N 3.2Å; R152-L157 HydrophobicContact CB-CB 4.33Å; R152-L157 HydrophobicContact CG-CB 4.39Å; R152-L157 PolarHBondContact O-N 3.26Å; R152-A159 PolarHBondContact NH1-O 3.38Å; R152-A159 PolarHBondContact NH2-O 3.05Å; R152-R864 PolarHBondContact O-NH2 3.43Å; R152-R864 VanDerWaalsContact O-NH2 3.1Å
153	E	94.9	Very high	90.2	Very high	7 Å²	7	41.4 Å²	41.4	3%	0.033	22%	0.217	C	C	.	.	H	α-helix	trans	-65.1	-52.9	167.6	-72.1	-61.5	132.6	0	0	110.7	E149 L150 L151 K155 R156 E830 S862 R864	E149-E153 PolarHBondContact O-N 3.11Å; L150-E153 WeakPolarHBondContact O-CB 3.5Å; L150-E153 PolarHBondContact O-N 3.49Å; L150-E153 VanDerWaalsContact O-N 3.12Å; L151-E153 VanDerWaalsContact C-N 3.35Å; E153-K155 PolarHBondContact O-N 3.49Å; E153-R156 WeakPolarHBondContact O-CD 3.49Å; E153-R156 PolarHBondContact O-N 3.44Å; E153-R156 PolarHBondContact O-NH1 3.4Å; E153-E830 WeakPolarHBondContact CG-OE1 3.49Å; E153-S862 PolarHBondContact OE1-OG 3.49Å; E153-S862 PolarHBondContact OE2-OG 2.86Å; E153-R864 IonicContact OE1-CZ 2.82Å; E153-R864 IonicContact OE1-NE 3.97Å; E153-R864 PolarHBondContact OE1-NE 3.17Å; E153-R864 IonicContact OE1-NH2 3.82Å; E153-R864 PolarHBondContact OE1-NH2 2.91Å; E153-R864 IonicContact OE2-NH2 2.71Å
154	R	95.9	Very high	91	Very high	8 Å²	8	41.1 Å²	41.1	3%	0.03	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-45.6	-177.6	-55.1	-65.1	72.9	76.5	-10.8	112.2	L150 L151 R156 Q270 E271 F276 E830	L150-R154 WeakPolarHBondContact O-CG 2.99Å; L150-R154 PolarHBondContact O-N 3Å; L150-R154 PolarHBondContact O-NH1 3.39Å; L151-R154 PolarHBondContact O-N 3.47Å; R154-R156 PolarHBondContact O-N 2.89Å; R154-Q270 HydrophobicContact CB-CB 3.98Å; R154-Q270 HydrophobicContact CG-CB 3.85Å; R154-E271 VanDerWaalsContact CD-OE2 3.27Å; R154-E271 WeakPolarHBondContact CD-OE2 3.37Å; R154-E271 IonicContact CZ-OE1 3.82Å; R154-E271 IonicContact CZ-OE2 3.42Å; R154-E271 IonicContact NE-OE1 3.44Å; R154-E271 IonicContact NE-OE2 2.79Å; R154-E271 PolarHBondContact NE-OE2 2.94Å; R154-E271 IonicContact NH2-OE1 2.61Å; R154-E271 PolarHBondContact NH2-OE1 3.45Å; R154-E271 IonicContact NH2-OE2 3.41Å; R154-F276 HydrophobicContact CB-CD1 4.32Å; R154-F276 HydrophobicContact CB-CE1 3.91Å; R154-E830 IonicContact CZ-OE1 3Å; R154-E830 IonicContact NH1-OE1 3.88Å; R154-E830 PolarHBondContact NH1-OE1 2.95Å; R154-E830 IonicContact NH2-OE1 2.8Å; R154-E830 PolarHBondContact NH2-OE1 3.14Å
155	K	94.1	Very high	91.5	Very high	68 Å²	68	41.9 Å²	41.9	30%	0.296	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-1.4	175.8	-69.5	-173	170.7	-175.4	0	114.5	L151 E153 L157 F276	L151-K155 HydrophobicContact CD1-CD 4.25Å; L151-K155 HydrophobicContact CD1-CG 4.28Å; L151-K155 HydrophobicContact CG-CD 4.22Å; L151-K155 HydrophobicContact CG-CG 4.49Å; L151-K155 WeakPolarHBondContact O-CB 3.18Å; L151-K155 PolarHBondContact O-N 3.38Å; E153-K155 PolarHBondContact O-N 3.49Å; K155-L157 VanDerWaalsContact C-N 3.26Å; K155-L157 HydrophobicContact CB-CD1 3.7Å; K155-L157 HydrophobicContact CB-CG 3.64Å; K155-L157 HydrophobicContact CD-CD1 3.9Å; K155-L157 HydrophobicContact CG-CD1 4.44Å; K155-L157 PolarHBondContact O-N 3.15Å; K155-F276 HydrophobicContact CB-CE1 4.44Å; K155-F276 HydrophobicContact CB-CZ 4.45Å; K155-F276 HydrophobicContact CD-CD1 4.45Å; K155-F276 HydrophobicContact CD-CD2 4.27Å; K155-F276 HydrophobicContact CD-CG 4.18Å; K155-F276 VanDerWaalsContact CE-CD2 3.49Å; K155-F276 HydrophobicContact CG-CD1 3.59Å; K155-F276 HydrophobicContact CG-CD2 3.88Å; K155-F276 HydrophobicContact CG-CE1 3.59Å; K155-F276 HydrophobicContact CG-CE2 3.87Å; K155-F276 HydrophobicContact CG-CG 3.74Å; K155-F276 HydrophobicContact CG-CZ 3.73Å
156	R	93.1	Very high	91.9	Very high	130 Å²	130	43.7 Å²	43.7	49%	0.491	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	39.3	-176.8	-52.3	-65.2	-174.6	-118	4.6	113.3	R152 E153 R154 G158 E271	R152-R156 PolarHBondContact O-N 3.2Å; E153-R156 WeakPolarHBondContact O-CD 3.49Å; E153-R156 PolarHBondContact O-N 3.44Å; E153-R156 PolarHBondContact O-NH1 3.4Å; R154-R156 PolarHBondContact O-N 2.89Å; R156-G158 PolarHBondContact O-N 3.18Å; R156-E271 IonicContact CZ-OE1 3.34Å; R156-E271 IonicContact CZ-OE2 3.2Å; R156-E271 IonicContact NH1-OE1 3.59Å; R156-E271 PolarHBondContact NH1-OE1 3.27Å; R156-E271 IonicContact NH1-OE2 2.71Å; R156-E271 PolarHBondContact NH1-OE2 2.95Å; R156-E271 IonicContact NH2-OE1 3.37Å; R156-E271 PolarHBondContact NH2-OE1 3.08Å; R156-E271 IonicContact NH2-OE2 2.77Å; R156-E271 PolarHBondContact NH2-OE2 3.47Å
157	L	89.6	Confident	92.3	Very high	32 Å²	32	41.3 Å²	41.3	17%	0.168	21%	0.214	C	C	.	.			trans	-87.8	103.7	-175.1	-68.3	172.4	0	0	0	112	R152 K155 T163 R864	R152-L157 HydrophobicContact CB-CB 4.33Å; R152-L157 HydrophobicContact CG-CB 4.39Å; R152-L157 PolarHBondContact O-N 3.26Å; K155-L157 VanDerWaalsContact C-N 3.26Å; K155-L157 HydrophobicContact CB-CD1 3.7Å; K155-L157 HydrophobicContact CB-CG 3.64Å; K155-L157 HydrophobicContact CD-CD1 3.9Å; K155-L157 HydrophobicContact CG-CD1 4.44Å; K155-L157 PolarHBondContact O-N 3.15Å; L157-T163 HydrophobicContact CD1-CG2 4.01Å; L157-R864 PolarHBondContact O-NH1 2.92Å
158	G	82.8	Confident	92.6	Very high	56 Å²	56	37.8 Å²	37.8	58%	0.577	20%	0.197	S	C	*	.			trans	-82.5	-25.5	176.7	0	0	0	0	0	115.5	R156	R156-G158 PolarHBondContact O-N 3.18Å
159	A	83.3	Confident	92.6	Very high	16 Å²	16	43.6 Å²	43.6	13%	0.132	22%	0.22	C	C	.	.			trans	-81.3	145.2	-173.9	0	0	0	0	0	113.1	K74 M100 R152	K74-A159 HydrophobicContact CD-CB 3.95Å; M100-A159 HydrophobicContact CE-CB 3.55Å; R152-A159 PolarHBondContact NH1-O 3.38Å; R152-A159 PolarHBondContact NH2-O 3.05Å
160	F	86.7	Confident	92.5	Very high	94 Å²	94	46.1 Å²	46.1	41%	0.412	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	165	171.8	-60.2	-81.7	0	0	0	111.4	N107 T138 Y144	N107-F160 VanDerWaalsContact CB-O 3.24Å; N107-F160 WeakPolarHBondContact CB-O 3.2Å; N107-F160 PolarHBondContact N-O 3.16Å; T138-F160 HydrophobicContact CG2-CB 4.24Å; T138-F160 HydrophobicContact CG2-CD1 4.03Å; T138-F160 HydrophobicContact CG2-CG 4.49Å; Y144-F160 AromaticContact CE2-CD1 3.86Å; Y144-F160 HydrophobicContact CE2-CD1 3.86Å; Y144-F160 HydrophobicContact CE2-CE1 4.06Å
161	G	90.2	Very high	92.4	Very high	5 Å²	5	46.3 Å²	46.3	5%	0.052	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.1	-154.4	-177	0	0	0	0	0	114.1	T138 T163	T138-G161 PolarHBondContact OG1-N 3.17Å; G161-T163 PolarHBondContact O-N 2.73Å
162	I	93.4	Very high	92.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.			trans	-70.7	119.5	-176.6	-57.9	170.3	0	0	0	109.3	L98 N107 L109 L132 A137 S164 F176	L98-I162 HydrophobicContact CD2-CB 4.15Å; L98-I162 HydrophobicContact CD2-CG2 3.8Å; N107-I162 WeakPolarHBondContact CB-O 2.91Å; N107-I162 PolarHBondContact ND2-O 3.44Å; N107-I162 PolarHBondContact O-N 3.16Å; L109-I162 HydrophobicContact CD1-CD1 4.42Å; L109-I162 HydrophobicContact CG-CD1 4.27Å; L132-I162 HydrophobicContact CD1-CD1 3.63Å; A137-I162 HydrophobicContact CB-CG1 4.01Å; I162-S164 WeakPolarHBondContact CG2-O 3.49Å; I162-F176 HydrophobicContact CD1-CD2 3.58Å; I162-F176 HydrophobicContact CD1-CE2 3.58Å; I162-F176 HydrophobicContact CD1-CG 4.25Å; I162-F176 HydrophobicContact CD1-CZ 4.24Å; I162-F176 HydrophobicContact CG1-CD2 3.95Å; I162-F176 HydrophobicContact CG1-CE2 4.3Å; I162-F176 HydrophobicContact CG2-CB 3.98Å; I162-F176 HydrophobicContact CG2-CD2 4.35Å; I162-F176 HydrophobicContact CG2-CG 4.34Å
163	T	91.9	Very high	92.6	Very high	32 Å²	32	44.3 Å²	44.3	20%	0.196	22%	0.221	C	C	.	.			trans	-99.1	-19.1	-176.4	55.7	0	0	0	0	114.6	L157 G161	L157-T163 HydrophobicContact CD1-CG2 4.01Å; G161-T163 PolarHBondContact O-N 2.73Å
164	S	94.6	Very high	92.7	Very high	57 Å²	57	44 Å²	44	40%	0.399	22%	0.219	S	C	.	.			trans	-159.7	159.7	176.8	54.7	0	0	0	0	109.5	I162	I162-S164 WeakPolarHBondContact CG2-O 3.49Å
165	Y	97.3	Very high	92.8	Very high	38 Å²	38	43.8 Å²	43.8	15%	0.149	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	154.4	171	68.2	-84.7	0	0	0	110.1	D78 Q80 L98 L109 F174 L175	D78-Y165 HydrophobicContact CB-CE1 3.83Å; D78-Y165 WeakPolarHBondContact O-CE1 3.46Å; D78-Y165 PolarHBondContact O-OH 3.1Å; Q80-Y165 VanDerWaalsContact CB-OH 3.26Å; Q80-Y165 WeakPolarHBondContact CB-OH 3.26Å; L98-Y165 HydrophobicContact CD1-CD1 4.15Å; L98-Y165 HydrophobicContact CD2-CD1 4.14Å; L98-Y165 HydrophobicContact CG-CD1 3.89Å; L98-Y165 HydrophobicContact CG-CE1 4.09Å; L109-Y165 HydrophobicContact CD2-CD1 3.64Å; L109-Y165 HydrophobicContact CD2-CD2 4.43Å; L109-Y165 HydrophobicContact CD2-CE1 4.02Å; L109-Y165 HydrophobicContact CD2-CG 3.87Å; Y165-F174 AromaticContact CD2-CD1 3.63Å; Y165-F174 HydrophobicContact CD2-CD1 3.63Å; Y165-F174 HydrophobicContact CD2-CE1 4.01Å; Y165-F174 AromaticContact CE2-CD1 3.87Å; Y165-F174 HydrophobicContact CE2-CD1 3.87Å; Y165-F174 AromaticContact CE2-CE1 3.73Å; Y165-F174 HydrophobicContact CE2-CE1 3.73Å; Y165-F174 HydrophobicContact CG-CD1 4.45Å; Y165-L175 CarbonylContact C-O 3.57Å; Y165-L175 WeakPolarHBondContact CA-O 3.32Å
166	D	98.1	Very high	93	Very high	56 Å²	56	40.6 Å²	40.6	30%	0.299	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	151.9	167.5	-166.8	16	0	0	0	109.9	F174 L175 I216	D166-F174 WeakPolarHBondContact O-CA 3.37Å; D166-L175 HydrophobicContact CB-CB 4.39Å; D166-L175 PolarHBondContact N-O 3.42Å; D166-L175 PolarHBondContact O-N 2.77Å; D166-I216 HydrophobicContact CB-CD1 4.27Å; D166-I216 HydrophobicContact CB-CG1 4.34Å; D166-I216 WeakPolarHBondContact OD2-CB 3.02Å; D166-I216 PolarHBondContact OD2-N 3.08Å
167	Y	96.7	Very high	93	Very high	29 Å²	29	35.9 Å²	35.9	11%	0.114	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	122.9	-173.5	177.9	-106.2	0	0	0	112.9	Q80 V82 Y169 L173 F174	Q80-Y167 HydrophobicContact CG-CD1 3.62Å; Q80-Y167 HydrophobicContact CG-CE1 3.85Å; Q80-Y167 HydrophobicContact CG-CG 4.23Å; V82-Y167 HydrophobicContact CG2-CE1 4.02Å; V82-Y167 WeakPolarHBondContact CG2-OH 3.37Å; Y167-Y169 VanDerWaalsContact CE1-CA 3.45Å; Y167-L173 CarbonylContact C-O 3.56Å; Y167-L173 VanDerWaalsContact CA-O 3.31Å; Y167-L173 WeakPolarHBondContact CA-O 3.36Å; Y167-F174 AromaticContact CD2-CD1 3.88Å; Y167-F174 HydrophobicContact CD2-CD1 3.88Å; Y167-F174 AromaticContact CD2-CD2 3.78Å; Y167-F174 HydrophobicContact CD2-CD2 3.78Å; Y167-F174 AromaticContact CD2-CE1 3.62Å; Y167-F174 HydrophobicContact CD2-CE1 3.62Å; Y167-F174 AromaticContact CD2-CE2 3.51Å; Y167-F174 HydrophobicContact CD2-CE2 3.51Å; Y167-F174 AromaticContact CD2-CG 3.96Å; Y167-F174 HydrophobicContact CD2-CG 3.96Å; Y167-F174 AromaticContact CD2-CZ 3.42Å; Y167-F174 HydrophobicContact CD2-CZ 3.42Å; Y167-F174 VanDerWaalsContact CD2-CZ 3.42Å; Y167-F174 AromaticContact CE2-CD2 3.95Å; Y167-F174 HydrophobicContact CE2-CD2 3.95Å; Y167-F174 HydrophobicContact CE2-CE1 4.14Å; Y167-F174 AromaticContact CE2-CE2 3.34Å; Y167-F174 HydrophobicContact CE2-CE2 3.34Å; Y167-F174 AromaticContact CE2-CZ 3.45Å; Y167-F174 HydrophobicContact CE2-CZ 3.45Å; Y167-F174 VanDerWaalsContact CE2-CZ 3.45Å; Y167-F174 HydrophobicContact CG-CE1 4.33Å; Y167-F174 HydrophobicContact CG-CZ 4.41Å
168	H	96.2	Very high	93	Very high	19 Å²	19	34.5 Å²	34.5	9%	0.088	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	108.2	173.6	-177.9	-92.1	0	0	0	111.9	K170 M171 G172 L173 I216 P218 P221	H168-K170 PolarHBondContact O-N 2.99Å; H168-M171 PolarHBondContact ND1-N 2.96Å; H168-M171 PolarHBondContact O-N 2.76Å; H168-G172 PolarHBondContact O-N 2.89Å; H168-L173 HydrophobicContact CB-CB 4.32Å; H168-L173 PolarHBondContact N-O 2.84Å; H168-L173 PolarHBondContact O-N 2.79Å; H168-I216 HydrophobicContact CB-CD1 4.15Å; H168-I216 HydrophobicContact CB-CG2 4.05Å; H168-P218 PolarHBondContact NE2-O 3.1Å; H168-P221 HydrophobicContact CB-CB 4.26Å
169	Y	91.3	Very high	92.9	Very high	135 Å²	135	34 Å²	34	53%	0.529	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-40.2	-166.9	75.2	-85.6	0	0	0	115.7	Y167 M171	Y167-Y169 VanDerWaalsContact CE1-CA 3.45Å; Y169-M171 VanDerWaalsContact C-N 3.33Å; Y169-M171 PolarHBondContact O-N 3.07Å
170	K	90.5	Very high	92.9	Very high	115 Å²	115	35.6 Å²	35.6	50%	0.5	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-35.8	-177.4	-59.4	-175.2	-176.1	176.8	0	111.9	H168 G189 N190	H168-K170 PolarHBondContact O-N 2.99Å; K170-G189 WeakPolarHBondContact O-CA 3.22Å; K170-N190 VanDerWaalsContact O-CG 3.28Å; K170-N190 PolarHBondContact O-N 2.89Å; K170-N190 PolarHBondContact O-OD1 3.3Å
171	M	91.8	Very high	93.1	Very high	33 Å²	33	31.6 Å²	31.6	16%	0.163	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-10.7	-177.9	-72.3	-169.2	62.5	0	0	113.2	H168 Y169 L173 N191 P221	H168-M171 PolarHBondContact ND1-N 2.96Å; H168-M171 PolarHBondContact O-N 2.76Å; Y169-M171 VanDerWaalsContact C-N 3.33Å; Y169-M171 PolarHBondContact O-N 3.07Å; M171-L173 HydrophobicContact CB-CB 4.17Å; M171-L173 PolarHBondContact O-N 3.2Å; M171-N191 PolarHBondContact O-ND2 2.97Å; M171-P221 HydrophobicContact CG-CG 4.04Å; M171-P221 HydrophobicContact SD-CB 3.69Å; M171-P221 HydrophobicContact SD-CG 3.14Å; M171-P221 WeakPolarHBondContact SD-CG 3.49Å
172	G	94.6	Very high	93.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	29.6	-170.8	0	0	0	0	0	112.3	H168 F174 Q186 D187	H168-G172 PolarHBondContact O-N 2.89Å; G172-F174 WeakPolarHBondContact O-CD2 3.39Å; G172-Q186 CarbonylContact O-C 3.57Å; G172-Q186 VanDerWaalsContact O-CA 3.23Å; G172-Q186 WeakPolarHBondContact O-CA 3.48Å; G172-D187 VanDerWaalsContact CA-O 3.22Å; G172-D187 WeakPolarHBondContact CA-O 3.29Å; G172-D187 PolarHBondContact O-N 2.97Å
173	L	97.1	Very high	93.6	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.5	-174.1	176.8	68.1	0	0	0	109.9	Y167 H168 M171 Y184 Q186 I216 P221 I237	Y167-L173 CarbonylContact C-O 3.56Å; Y167-L173 VanDerWaalsContact CA-O 3.31Å; Y167-L173 WeakPolarHBondContact CA-O 3.36Å; H168-L173 HydrophobicContact CB-CB 4.32Å; H168-L173 PolarHBondContact N-O 2.84Å; H168-L173 PolarHBondContact O-N 2.79Å; M171-L173 HydrophobicContact CB-CB 4.17Å; M171-L173 PolarHBondContact O-N 3.2Å; L173-Y184 HydrophobicContact CD1-CD2 3.65Å; L173-Y184 HydrophobicContact CD1-CG 4.19Å; L173-Q186 HydrophobicContact CD1-CG 3.99Å; L173-I216 HydrophobicContact CB-CD1 4.48Å; L173-I216 HydrophobicContact CD2-CD1 4.05Å; L173-I216 HydrophobicContact CD2-CG1 4.39Å; L173-I216 HydrophobicContact CD2-CG2 4.18Å; L173-I216 HydrophobicContact CG-CD1 4.02Å; L173-I216 WeakPolarHBondContact O-CD1 3.28Å; L173-P221 HydrophobicContact CD2-CB 4.46Å; L173-P221 VanDerWaalsContact CD2-O 3.28Å; L173-P221 WeakPolarHBondContact CD2-O 3.42Å; L173-I237 HydrophobicContact CD1-CD1 3.93Å; L173-I237 HydrophobicContact CD2-CD1 3.63Å; L173-I237 HydrophobicContact CG-CD1 4.44Å
174	F	97.9	Very high	93.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	134.6	172.6	-68.1	-100.5	0	0	0	109.7	Y96 L109 M131 Y165 D166 Y167 G172 Y184 C185 D187	Y96-F174 HydrophobicContact CD1-CE1 4.28Å; Y96-F174 HydrophobicContact CD1-CE2 4.48Å; Y96-F174 AromaticContact CD1-CZ 3.66Å; Y96-F174 HydrophobicContact CD1-CZ 3.66Å; Y96-F174 AromaticContact CD2-CZ 3.88Å; Y96-F174 HydrophobicContact CD2-CZ 3.88Å; Y96-F174 HydrophobicContact CE1-CE2 4.28Å; Y96-F174 AromaticContact CE1-CZ 3.85Å; Y96-F174 HydrophobicContact CE1-CZ 3.85Å; Y96-F174 HydrophobicContact CE2-CZ 4.04Å; Y96-F174 HydrophobicContact CG-CE1 4.14Å; Y96-F174 AromaticContact CG-CZ 3.66Å; Y96-F174 HydrophobicContact CG-CZ 3.66Å; L109-F174 HydrophobicContact CD1-CD1 4.45Å; L109-F174 HydrophobicContact CD2-CD1 4.44Å; M131-F174 HydrophobicContact CE-CD1 4.44Å; M131-F174 HydrophobicContact CE-CD2 3.41Å; M131-F174 VanDerWaalsContact CE-CD2 3.41Å; M131-F174 HydrophobicContact CE-CE1 4.45Å; M131-F174 HydrophobicContact CE-CE2 3.4Å; M131-F174 VanDerWaalsContact CE-CE2 3.4Å; M131-F174 HydrophobicContact CE-CG 3.97Å; M131-F174 HydrophobicContact CE-CZ 3.96Å; M131-F174 HydrophobicContact SD-CE2 4.44Å; M131-F174 HydrophobicContact SD-CZ 4.45Å; Y165-F174 AromaticContact CD2-CD1 3.63Å; Y165-F174 HydrophobicContact CD2-CD1 3.63Å; Y165-F174 HydrophobicContact CD2-CE1 4.01Å; Y165-F174 AromaticContact CE2-CD1 3.87Å; Y165-F174 HydrophobicContact CE2-CD1 3.87Å; Y165-F174 AromaticContact CE2-CE1 3.73Å; Y165-F174 HydrophobicContact CE2-CE1 3.73Å; Y165-F174 HydrophobicContact CG-CD1 4.45Å; D166-F174 WeakPolarHBondContact O-CA 3.37Å; Y167-F174 AromaticContact CD2-CD1 3.88Å; Y167-F174 HydrophobicContact CD2-CD1 3.88Å; Y167-F174 AromaticContact CD2-CD2 3.78Å; Y167-F174 HydrophobicContact CD2-CD2 3.78Å; Y167-F174 AromaticContact CD2-CE1 3.62Å; Y167-F174 HydrophobicContact CD2-CE1 3.62Å; Y167-F174 AromaticContact CD2-CE2 3.51Å; Y167-F174 HydrophobicContact CD2-CE2 3.51Å; Y167-F174 AromaticContact CD2-CG 3.96Å; Y167-F174 HydrophobicContact CD2-CG 3.96Å; Y167-F174 AromaticContact CD2-CZ 3.42Å; Y167-F174 HydrophobicContact CD2-CZ 3.42Å; Y167-F174 VanDerWaalsContact CD2-CZ 3.42Å; Y167-F174 AromaticContact CE2-CD2 3.95Å; Y167-F174 HydrophobicContact CE2-CD2 3.95Å; Y167-F174 HydrophobicContact CE2-CE1 4.14Å; Y167-F174 AromaticContact CE2-CE2 3.34Å; Y167-F174 HydrophobicContact CE2-CE2 3.34Å; Y167-F174 AromaticContact CE2-CZ 3.45Å; Y167-F174 HydrophobicContact CE2-CZ 3.45Å; Y167-F174 VanDerWaalsContact CE2-CZ 3.45Å; Y167-F174 HydrophobicContact CG-CE1 4.33Å; Y167-F174 HydrophobicContact CG-CZ 4.41Å; G172-F174 WeakPolarHBondContact O-CD2 3.39Å; F174-Y184 WeakPolarHBondContact O-CA 3.33Å; F174-Y184 WeakPolarHBondContact O-CB 3.45Å; F174-C185 PolarHBondContact N-O 3.3Å; F174-C185 PolarHBondContact O-N 2.97Å; F174-C185 VanDerWaalsContact O-N 3.1Å; F174-D187 HydrophobicContact CE2-CB 4.18Å
175	L	98.3	Very high	93.9	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.4	174.9	176.5	68.8	0	0	0	109.4	Y165 D166 I203 P214 I216 I224	Y165-L175 CarbonylContact C-O 3.57Å; Y165-L175 WeakPolarHBondContact CA-O 3.32Å; D166-L175 HydrophobicContact CB-CB 4.39Å; D166-L175 PolarHBondContact N-O 3.42Å; D166-L175 PolarHBondContact O-N 2.77Å; L175-I203 HydrophobicContact CD1-CD1 3.61Å; L175-P214 HydrophobicContact CD2-CB 3.88Å; L175-P214 HydrophobicContact CG-CB 4.11Å; L175-I216 HydrophobicContact CB-CD1 3.77Å; L175-I216 HydrophobicContact CB-CG1 3.64Å; L175-I216 HydrophobicContact CD2-CG1 3.66Å; L175-I216 HydrophobicContact CG-CG1 4.31Å; L175-I224 HydrophobicContact CD1-CD1 4.24Å; L175-I224 HydrophobicContact CD1-CG2 4.31Å; L175-I224 HydrophobicContact CD2-CB 4.06Å; L175-I224 HydrophobicContact CD2-CG2 3.67Å
176	F	97.1	Very high	93.8	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	158.7	-179.4	54.7	-89.3	0	0	0	112.4	L109 L132 F135 I162 A178 F183 P200	L109-F176 HydrophobicContact CD1-CD1 3.6Å; L109-F176 HydrophobicContact CD1-CE1 3.51Å; L109-F176 HydrophobicContact CD1-CG 4.33Å; L109-F176 HydrophobicContact CD1-CZ 4.16Å; L132-F176 HydrophobicContact CD1-CE2 4.09Å; L132-F176 HydrophobicContact CD1-CZ 3.75Å; L132-F176 HydrophobicContact CD2-CZ 4.15Å; F135-F176 HydrophobicContact CE1-CE2 4.04Å; I162-F176 HydrophobicContact CD1-CD2 3.58Å; I162-F176 HydrophobicContact CD1-CE2 3.58Å; I162-F176 HydrophobicContact CD1-CG 4.25Å; I162-F176 HydrophobicContact CD1-CZ 4.24Å; I162-F176 HydrophobicContact CG1-CD2 3.95Å; I162-F176 HydrophobicContact CG1-CE2 4.3Å; I162-F176 HydrophobicContact CG2-CB 3.98Å; I162-F176 HydrophobicContact CG2-CD2 4.35Å; I162-F176 HydrophobicContact CG2-CG 4.34Å; F176-A178 HydrophobicContact CD2-CB 4.47Å; F176-F183 HydrophobicContact CD2-CB 4.07Å; F176-F183 HydrophobicContact CE2-CB 3.6Å; F176-F183 HydrophobicContact CE2-CG 4.37Å; F176-F183 HydrophobicContact CZ-CB 3.86Å; F176-F183 PolarHBondContact N-O 2.92Å; F176-F183 PolarHBondContact O-N 3.15Å; F176-P200 HydrophobicContact CZ-CB 3.81Å; F176-P200 HydrophobicContact CZ-CG 4.44Å
177	Q	94	Very high	93.6	Very high	30 Å²	30	29.5 Å²	29.5	14%	0.14	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	139.3	174	-178.5	170.7	-27.5	0	0	110.3	E148 S181 L182 R211	E148-Q177 VanDerWaalsContact CD-NE2 3.33Å; E148-Q177 PolarHBondContact OE2-NE2 3.16Å; Q177-S181 WeakPolarHBondContact CA-O 3.42Å; Q177-L182 HydrophobicContact CB-CD2 4.23Å; Q177-L182 HydrophobicContact CG-CD2 4.46Å; Q177-R211 PolarHBondContact OE1-O 3.48Å
178	A	90.1	Very high	93.4	Very high	3 Å²	3	28.1 Å²	28.1	3%	0.025	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	146.5	172.5	0	0	0	0	0	109.9	F135 A137 F176 N180 S181 F183	F135-A178 HydrophobicContact CE1-CB 3.44Å; F135-A178 VanDerWaalsContact CE1-CB 3.44Å; F135-A178 HydrophobicContact CZ-CB 3.5Å; A137-A178 HydrophobicContact CB-CB 4.08Å; F176-A178 HydrophobicContact CD2-CB 4.47Å; A178-N180 VanDerWaalsContact C-N 3.28Å; A178-N180 PolarHBondContact O-N 3.03Å; A178-S181 PolarHBondContact N-O 2.83Å; A178-S181 CarbonylContact O-C 3.53Å; A178-S181 WeakPolarHBondContact O-CA 3.26Å; A178-S181 PolarHBondContact O-N 2.87Å; A178-F183 HydrophobicContact CB-CD2 3.89Å; A178-F183 HydrophobicContact CB-CE2 4.08Å; A178-F183 WeakPolarHBondContact O-CE2 3.21Å
179	S	80.9	Confident	92.9	Very high	46 Å²	46	28.7 Å²	28.7	32%	0.322	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	42	176.4	-61.7	0	0	0	0	114.5	Q136 A137 S181	Q136-S179 PolarHBondContact O-OG 2.83Å; A137-S179 PolarHBondContact O-N 2.87Å; A137-S179 PolarHBondContact O-OG 2.51Å; S179-S181 PolarHBondContact O-N 3.1Å; S179-S181 VanDerWaalsContact O-N 3.14Å
180	N	82.8	Confident	92.6	Very high	49 Å²	49	29 Å²	29	26%	0.262	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	16	-174.4	-54	-34.8	0	0	0	115.1	S145 E148 A178 T210	S145-N180 PolarHBondContact N-OD1 3.4Å; E148-N180 PolarHBondContact OE2-OD1 2.89Å; A178-N180 VanDerWaalsContact C-N 3.28Å; A178-N180 PolarHBondContact O-N 3.03Å; N180-T210 HydrophobicContact CB-CG2 4.35Å
181	S	90.9	Very high	92.1	Very high	11 Å²	11	27.6 Å²	27.6	8%	0.077	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	172.6	-179	-165.3	0	0	0	0	111	Q177 A178 S179 E202 R211	Q177-S181 WeakPolarHBondContact CA-O 3.42Å; A178-S181 PolarHBondContact N-O 2.83Å; A178-S181 CarbonylContact O-C 3.53Å; A178-S181 WeakPolarHBondContact O-CA 3.26Å; A178-S181 PolarHBondContact O-N 2.87Å; S179-S181 PolarHBondContact O-N 3.1Å; S179-S181 VanDerWaalsContact O-N 3.14Å; S181-E202 PolarHBondContact OG-OE1 2.89Å; S181-R211 PolarHBondContact OG-NH2 3.03Å
182	L	95.8	Very high	92	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.8	-179.2	-57.5	-174.3	0	0	0	110.6	Q177 I203 R211 P214 I224 F226	Q177-L182 HydrophobicContact CB-CD2 4.23Å; Q177-L182 HydrophobicContact CG-CD2 4.46Å; L182-I203 HydrophobicContact CB-CB 4.26Å; L182-I203 HydrophobicContact CB-CD1 4.14Å; L182-I203 HydrophobicContact CB-CG1 4.47Å; L182-I203 PolarHBondContact O-N 3Å; L182-R211 HydrophobicContact CD1-CB 3.9Å; L182-R211 HydrophobicContact CD2-CB 4.28Å; L182-R211 HydrophobicContact CG-CB 3.91Å; L182-R211 VanDerWaalsContact N-NH2 3.19Å; L182-P214 HydrophobicContact CD1-CB 3.95Å; L182-P214 HydrophobicContact CD2-CB 3.73Å; L182-P214 HydrophobicContact CD2-CG 3.71Å; L182-P214 HydrophobicContact CG-CB 4.45Å; L182-I224 HydrophobicContact CD1-CD1 4.11Å; L182-F226 HydrophobicContact CD1-CB 4.06Å; L182-F226 HydrophobicContact CD1-CD1 4Å; L182-F226 HydrophobicContact CD1-CG 4.03Å
183	F	96.9	Very high	92	Very high	19 Å²	19	31 Å²	31	8%	0.083	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.3	-176.9	-70.5	-91.8	0	0	0	111.2	F135 F176 A178 P200 V201 E202	F135-F183 HydrophobicContact CE2-CD1 4.04Å; F135-F183 AromaticContact CE2-CE1 3.7Å; F135-F183 HydrophobicContact CE2-CE1 3.7Å; F135-F183 HydrophobicContact CE2-CE2 4.24Å; F135-F183 HydrophobicContact CE2-CG 4.45Å; F135-F183 AromaticContact CE2-CZ 3.82Å; F135-F183 HydrophobicContact CE2-CZ 3.82Å; F135-F183 HydrophobicContact CZ-CD1 4.06Å; F135-F183 AromaticContact CZ-CD2 3.86Å; F135-F183 HydrophobicContact CZ-CD2 3.86Å; F135-F183 AromaticContact CZ-CE1 3.98Å; F135-F183 HydrophobicContact CZ-CE1 3.98Å; F135-F183 AromaticContact CZ-CE2 3.78Å; F135-F183 HydrophobicContact CZ-CE2 3.78Å; F135-F183 AromaticContact CZ-CG 4Å; F135-F183 HydrophobicContact CZ-CG 4Å; F135-F183 AromaticContact CZ-CZ 3.85Å; F135-F183 HydrophobicContact CZ-CZ 3.85Å; F176-F183 HydrophobicContact CD2-CB 4.07Å; F176-F183 HydrophobicContact CE2-CB 3.6Å; F176-F183 HydrophobicContact CE2-CG 4.37Å; F176-F183 HydrophobicContact CZ-CB 3.86Å; F176-F183 PolarHBondContact N-O 2.92Å; F176-F183 PolarHBondContact O-N 3.15Å; A178-F183 HydrophobicContact CB-CD2 3.89Å; A178-F183 HydrophobicContact CB-CE2 4.08Å; A178-F183 WeakPolarHBondContact O-CE2 3.21Å; F183-P200 HydrophobicContact CB-CB 4.18Å; F183-P200 HydrophobicContact CD1-CB 4.08Å; F183-P200 HydrophobicContact CD1-CG 4.16Å; F183-V201 WeakPolarHBondContact CA-O 3.42Å; F183-E202 HydrophobicContact CD1-CB 4.02Å; F183-E202 HydrophobicContact CE1-CB 3.6Å; F183-E202 HydrophobicContact CE1-CG 4.03Å; F183-E202 HydrophobicContact CZ-CB 4.19Å; F183-E202 HydrophobicContact CZ-CG 4.11Å
184	Y	97	Very high	91.8	Very high	46 Å²	46	32.1 Å²	32.1	18%	0.18	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	157.1	169.4	75.6	-85.4	0	0	0	112.7	L173 F174 V201 I203 I237	L173-Y184 HydrophobicContact CD1-CD2 3.65Å; L173-Y184 HydrophobicContact CD1-CG 4.19Å; F174-Y184 WeakPolarHBondContact O-CA 3.33Å; F174-Y184 WeakPolarHBondContact O-CB 3.45Å; Y184-V201 HydrophobicContact CD1-CB 4.03Å; Y184-V201 HydrophobicContact CD1-CG1 4.36Å; Y184-V201 WeakPolarHBondContact CD1-O 3.18Å; Y184-V201 HydrophobicContact CE1-CB 3.62Å; Y184-V201 HydrophobicContact CE1-CG1 3.55Å; Y184-V201 HydrophobicContact CE2-CB 4.18Å; Y184-V201 HydrophobicContact CE2-CG2 4.38Å; Y184-V201 PolarHBondContact N-O 2.91Å; Y184-V201 PolarHBondContact O-N 3.05Å; Y184-I203 HydrophobicContact CD1-CD1 4.02Å; Y184-I203 HydrophobicContact CD1-CG1 3.59Å; Y184-I203 HydrophobicContact CE1-CG1 4.12Å; Y184-I237 HydrophobicContact CD2-CD1 4.43Å; Y184-I237 HydrophobicContact CE1-CB 4.3Å
185	C	95.9	Very high	91.3	Very high	6 Å²	6	38 Å²	38	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	169	167.8	64.8	0	0	0	0	110	M131 F174 V198	M131-C185 WeakPolarHBondContact CE-SG 3.17Å; F174-C185 PolarHBondContact N-O 3.3Å; F174-C185 PolarHBondContact O-N 2.97Å; F174-C185 VanDerWaalsContact O-N 3.1Å; C185-V198 HydrophobicContact CB-CG2 4.08Å
186	Q	95.3	Very high	90.9	Very high	71 Å²	71	40.4 Å²	40.4	33%	0.332	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.1	-177	-69.5	177.6	-25.9	0	0	111	G172 L173 N191	G172-Q186 CarbonylContact O-C 3.57Å; G172-Q186 VanDerWaalsContact O-CA 3.23Å; G172-Q186 WeakPolarHBondContact O-CA 3.48Å; L173-Q186 HydrophobicContact CD1-CG 3.99Å; Q186-N191 PolarHBondContact OE1-ND2 3.07Å
187	D	95.5	Very high	90.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	26%	0.262	C	S	.	.			trans	-158.1	136.9	172	-167.8	23.9	0	0	0	111	R94 Y96 M131 G172 F174 F193 I194	R94-D187 IonicContact CZ-OD2 3.89Å; R94-D187 VanDerWaalsContact NH1-CG 3.27Å; R94-D187 IonicContact NH1-OD1 3.78Å; R94-D187 PolarHBondContact NH1-OD1 2.99Å; R94-D187 IonicContact NH1-OD2 3.62Å; R94-D187 PolarHBondContact NH1-OD2 3.46Å; Y96-D187 HydrophobicContact CE1-CB 4.19Å; Y96-D187 WeakPolarHBondContact CE1-OD2 3.34Å; Y96-D187 PolarHBondContact OH-O 3.13Å; Y96-D187 PolarHBondContact OH-OD2 2.58Å; M131-D187 HydrophobicContact CE-CB 3.5Å; M131-D187 VanDerWaalsContact CE-CB 3.5Å; G172-D187 VanDerWaalsContact CA-O 3.22Å; G172-D187 WeakPolarHBondContact CA-O 3.29Å; G172-D187 PolarHBondContact O-N 2.97Å; F174-D187 HydrophobicContact CE2-CB 4.18Å; D187-F193 VanDerWaalsContact OD1-CA 3.23Å; D187-F193 WeakPolarHBondContact OD1-CA 3.4Å; D187-I194 HydrophobicContact CB-CD1 4.49Å; D187-I194 HydrophobicContact CB-CG2 4.23Å; D187-I194 PolarHBondContact OD1-N 3.27Å
188	G	91.4	Very high	90.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.267	C	S	.	.	S	Bend	trans	75.7	-168	-172.5	0	0	0	0	0	113.3	N191 G192	G188-N191 PolarHBondContact O-N 2.83Å; G188-G192 VanDerWaalsContact CA-O 3.32Å; G188-G192 WeakPolarHBondContact CA-O 3.37Å; G188-G192 PolarHBondContact N-O 2.83Å
189	G	85.7	Confident	90.9	Very high	32 Å²	32	50.9 Å²	50.9	33%	0.33	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	58.1	-139.8	-173.7	0	0	0	0	0	112	K170 N191	K170-G189 WeakPolarHBondContact O-CA 3.22Å; G189-N191 PolarHBondContact O-N 3.09Å
190	N	84.4	Confident	91.6	Very high	140 Å²	140	49.6 Å²	49.6	75%	0.749	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-71	-13.4	-179	-66.6	-10	0	0	0	114.5	K170	K170-N190 VanDerWaalsContact O-CG 3.28Å; K170-N190 PolarHBondContact O-N 2.89Å; K170-N190 PolarHBondContact O-OD1 3.3Å
191	N	81.3	Confident	92.2	Very high	87 Å²	87	50.5 Å²	50.5	47%	0.465	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-90.4	-0.7	-174.9	-70.2	-42.9	0	0	0	113.6	M171 Q186 G188 G189	M171-N191 PolarHBondContact O-ND2 2.97Å; Q186-N191 PolarHBondContact OE1-ND2 3.07Å; G188-N191 PolarHBondContact O-N 2.83Å; G189-N191 PolarHBondContact O-N 3.09Å
192	G	89.1	Confident	92.4	Very high	35 Å²	35	55.1 Å²	55.1	36%	0.361	32%	0.316	S	S	.	.			trans	71.9	-173.9	-173.5	0	0	0	0	0	112.4	G188	G188-G192 VanDerWaalsContact CA-O 3.32Å; G188-G192 WeakPolarHBondContact CA-O 3.37Å; G188-G192 PolarHBondContact N-O 2.83Å
193	F	94.1	Very high	92.4	Very high	68 Å²	68	55.6 Å²	55.6	30%	0.298	32%	0.318	S	S	.	.			trans	-108.9	129.2	-174.3	-69	-81.1	0	0	0	111.9	V82 K84 R94 D187	V82-F193 HydrophobicContact CG1-CE1 4.09Å; V82-F193 HydrophobicContact CG1-CZ 3.98Å; K84-F193 HydrophobicContact CB-CE2 4.37Å; K84-F193 HydrophobicContact CD-CD2 4.35Å; K84-F193 HydrophobicContact CD-CE2 4.22Å; K84-F193 HydrophobicContact CD-CZ 4.44Å; K84-F193 HydrophobicContact CG-CD2 4.27Å; K84-F193 HydrophobicContact CG-CE1 4.35Å; K84-F193 HydrophobicContact CG-CE2 3.65Å; K84-F193 HydrophobicContact CG-CZ 3.67Å; R94-F193 HydrophobicContact CB-CD1 4.2Å; R94-F193 HydrophobicContact CB-CE1 3.85Å; D187-F193 VanDerWaalsContact OD1-CA 3.23Å; D187-F193 WeakPolarHBondContact OD1-CA 3.4Å
194	I	93.3	Very high	92.3	Very high	26 Å²	26	63.4 Å²	63.4	13%	0.133	35%	0.352	C	S	.	.			trans	-64	146	177.2	71.4	-178.1	0	0	0	111	R94 Y111 M131 D187 V198	R94-I194 PolarHBondContact NH1-O 2.75Å; R94-I194 VanDerWaalsContact NH1-O 3.12Å; R94-I194 PolarHBondContact NH2-O 3.27Å; Y111-I194 HydrophobicContact CE1-CD1 4.26Å; Y111-I194 HydrophobicContact CE1-CG1 4.4Å; M131-I194 HydrophobicContact CG-CD1 3.97Å; D187-I194 HydrophobicContact CB-CD1 4.49Å; D187-I194 HydrophobicContact CB-CG2 4.23Å; D187-I194 PolarHBondContact OD1-N 3.27Å; I194-V198 HydrophobicContact CB-CG1 4.45Å; I194-V198 HydrophobicContact CD1-CG1 4.24Å; I194-V198 HydrophobicContact CD1-CG2 4.38Å; I194-V198 HydrophobicContact CG2-CG1 3.94Å
195	S	87	Confident	92.1	Very high	123 Å²	123	63.2 Å²	63.2	86%	0.86	36%	0.357	S	S	*	.	S	Bend	trans	-104.1	-15.1	175.6	57.7	0	0	0	0	113.5
196	A	91.4	Very high	91.9	Very high	54 Å²	54	69.3 Å²	69.3	45%	0.446	39%	0.385	S	S	.	.	S	Bend	trans	-141.8	159.4	178.6	0	0	0	0	0	110.3
197	P	93.2	Very high	91.6	Very high	59 Å²	59	66.9 Å²	66.9	38%	0.383	38%	0.376	S	S	.	.			trans	-56.9	145.1	176.3	-21.5	32	0	0	0	112.1	Q130 M131 D133	Q130-P197 HydrophobicContact CB-CG 4.4Å; M131-P197 CarbonylContact O-C 3.5Å; M131-P197 WeakPolarHBondContact O-CA 3.17Å; D133-P197 HydrophobicContact CB-CB 4.02Å
198	V	93.9	Very high	91.1	Very high	43 Å²	43	72.8 Å²	72.8	26%	0.261	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-111.5	149	-179.1	-65.2	0	0	0	0	111	M131 L132 D133 C185 I194	M131-V198 WeakPolarHBondContact O-CG2 3.46Å; M131-V198 PolarHBondContact O-N 3.09Å; L132-V198 CarbonylContact C-O 3.54Å; L132-V198 VanDerWaalsContact CA-O 3.31Å; L132-V198 WeakPolarHBondContact CA-O 3.47Å; D133-V198 PolarHBondContact N-O 3.02Å; C185-V198 HydrophobicContact CB-CG2 4.08Å; I194-V198 HydrophobicContact CB-CG1 4.45Å; I194-V198 HydrophobicContact CD1-CG1 4.24Å; I194-V198 HydrophobicContact CD1-CG2 4.38Å; I194-V198 HydrophobicContact CG2-CG1 3.94Å
199	K	94	Very high	90.8	Very high	153 Å²	153	74 Å²	74	67%	0.665	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-78.2	123.5	168.4	-69.3	-173.5	178.2	-175.1	0	108.5	D133	D133-K199 HydrophobicContact CB-CG 3.98Å; D133-K199 WeakPolarHBondContact OD2-CE 3.44Å
200	P	95.1	Very high	91	Very high	18 Å²	18	73.7 Å²	73.7	12%	0.117	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-65.8	147.9	175.6	29.4	-33.8	0	0	0	110.5	L132 F135 F176 F183	L132-P200 HydrophobicContact CD2-CB 4.2Å; L132-P200 HydrophobicContact CD2-CG 4.33Å; F135-P200 HydrophobicContact CB-CG 4.4Å; F135-P200 HydrophobicContact CD1-CG 4.23Å; F135-P200 HydrophobicContact CD2-CG 3.53Å; F135-P200 HydrophobicContact CE1-CG 4.39Å; F135-P200 HydrophobicContact CE2-CG 3.73Å; F135-P200 HydrophobicContact CG-CG 3.8Å; F135-P200 HydrophobicContact CZ-CG 4.16Å; F176-P200 HydrophobicContact CZ-CB 3.81Å; F176-P200 HydrophobicContact CZ-CG 4.44Å; F183-P200 HydrophobicContact CB-CB 4.18Å; F183-P200 HydrophobicContact CD1-CB 4.08Å; F183-P200 HydrophobicContact CD1-CG 4.16Å
201	V	95.4	Very high	91.5	Very high	69 Å²	69	67.6 Å²	67.6	42%	0.418	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123	179.4	-176.5	0	0	0	0	108.5	F183 Y184	F183-V201 WeakPolarHBondContact CA-O 3.42Å; Y184-V201 HydrophobicContact CD1-CB 4.03Å; Y184-V201 HydrophobicContact CD1-CG1 4.36Å; Y184-V201 WeakPolarHBondContact CD1-O 3.18Å; Y184-V201 HydrophobicContact CE1-CB 3.62Å; Y184-V201 HydrophobicContact CE1-CG1 3.55Å; Y184-V201 HydrophobicContact CE2-CB 4.18Å; Y184-V201 HydrophobicContact CE2-CG2 4.38Å; Y184-V201 PolarHBondContact N-O 2.91Å; Y184-V201 PolarHBondContact O-N 3.05Å
202	E	95.4	Very high	92.2	Very high	108 Å²	108	64.5 Å²	64.5	51%	0.505	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131.8	173.4	-173.3	172.4	-160.9	0	0	110.5	S181 F183 K204	S181-E202 PolarHBondContact OG-OE1 2.89Å; F183-E202 HydrophobicContact CD1-CB 4.02Å; F183-E202 HydrophobicContact CE1-CB 3.6Å; F183-E202 HydrophobicContact CE1-CG 4.03Å; F183-E202 HydrophobicContact CZ-CB 4.19Å; F183-E202 HydrophobicContact CZ-CG 4.11Å; E202-K204 PolarHBondContact O-N 2.95Å
203	I	95.9	Very high	92.6	Very high	10 Å²	10	64.6 Å²	64.6	5%	0.051	36%	0.363	C	S	.	.			trans	-82.5	105.9	171.8	-55.2	178.7	0	0	0	107	L175 L182 Y184 R211 I224 I237	L175-I203 HydrophobicContact CD1-CD1 3.61Å; L182-I203 HydrophobicContact CB-CB 4.26Å; L182-I203 HydrophobicContact CB-CD1 4.14Å; L182-I203 HydrophobicContact CB-CG1 4.47Å; L182-I203 PolarHBondContact O-N 3Å; Y184-I203 HydrophobicContact CD1-CD1 4.02Å; Y184-I203 HydrophobicContact CD1-CG1 3.59Å; Y184-I203 HydrophobicContact CE1-CG1 4.12Å; I203-R211 VanDerWaalsContact O-CZ 3.29Å; I203-R211 PolarHBondContact O-NH1 3.33Å; I203-R211 PolarHBondContact O-NH2 2.65Å; I203-I224 HydrophobicContact CD1-CD1 3.53Å; I203-I224 HydrophobicContact CG2-CD1 4.39Å; I203-I237 HydrophobicContact CD1-CG2 3.88Å; I203-I237 HydrophobicContact CG1-CG2 4.45Å
204	K	93.3	Very high	92.8	Very high	183 Å²	183	62.3 Å²	62.3	80%	0.796	36%	0.356	S	S	*	.			trans	-60.9	146.6	175.2	-62.6	-176.6	-179.1	178.8	0	110.2	E202	E202-K204 PolarHBondContact O-N 2.95Å
205	S	93.2	Very high	93	Very high	41 Å²	41	63 Å²	63	29%	0.287	36%	0.357	S	S	.	.			trans	-141.8	151.2	178.4	-162.7	0	0	0	0	113.1	C207 E242	S205-C207 WeakPolarHBondContact OG-CB 2.93Å; S205-C207 PolarHBondContact OG-N 3.48Å; S205-E242 VanDerWaalsContact CA-OE1 3.23Å; S205-E242 WeakPolarHBondContact CA-OE1 3.33Å; S205-E242 VanDerWaalsContact CA-OE2 3.24Å; S205-E242 WeakPolarHBondContact CA-OE2 3.41Å; S205-E242 WeakPolarHBondContact CB-OE1 3.12Å; S205-E242 VanDerWaalsContact OG-CD 3.28Å; S205-E242 PolarHBondContact OG-OE1 3.24Å; S205-E242 PolarHBondContact OG-OE2 3.02Å
206	Q	92.1	Very high	93.6	Very high	134 Å²	134	57.4 Å²	57.4	63%	0.626	32%	0.318	S	S	*	.	S	Bend	trans	-84.7	-14.6	167.9	73.3	-166.8	-27.5	0	0	112.5	W233 E242	Q206-W233 HydrophobicContact CG-CZ3 4.4Å; Q206-E242 WeakPolarHBondContact CG-OE2 3.43Å; Q206-E242 PolarHBondContact N-OE2 2.97Å; Q206-E242 PolarHBondContact NE2-O 2.91Å
207	C	89.7	Confident	93.9	Very high	21 Å²	21	54.9 Å²	54.9	14%	0.142	30%	0.297	C	S	.	.			trans	-68	134.4	176.7	-65.2	0	0	0	0	110.9	S205 N228	S205-C207 WeakPolarHBondContact OG-CB 2.93Å; S205-C207 PolarHBondContact OG-N 3.48Å; C207-N228 HydrophobicContact CB-CB 4.45Å; C207-N228 WeakPolarHBondContact CB-OD1 3.31Å; C207-N228 PolarHBondContact SG-OD1 2.68Å; C207-N228 VanDerWaalsContact SG-OD1 3.42Å
208	S	84.1	Confident	94	Very high	124 Å²	124	55 Å²	55	87%	0.867	30%	0.298	S	S	*	.			trans	-89.1	-23.8	176.9	54.6	0	0	0	0	113.9
209	G	85.1	Confident	93.8	Very high	26 Å²	26	53.9 Å²	53.9	27%	0.268	30%	0.295	S	S	.	.	S	Bend	trans	-86.3	171.2	178.3	0	0	0	0	0	113.3	N228	G209-N228 VanDerWaalsContact C-ND2 3.27Å; G209-N228 WeakPolarHBondContact CA-ND2 3.44Å; G209-N228 PolarHBondContact O-ND2 2.87Å; G209-N228 VanDerWaalsContact O-ND2 3.15Å
210	T	90.6	Very high	93.8	Very high	26 Å²	26	47.6 Å²	47.6	16%	0.16	27%	0.268	C	S	.	.			trans	-61.8	140.5	174	-52.8	0	0	0	0	110.6	S145 N180 M212 N228	S145-T210 WeakPolarHBondContact CB-OG1 3.41Å; S145-T210 PolarHBondContact OG-OG1 2.89Å; N180-T210 HydrophobicContact CB-CG2 4.35Å; T210-M212 HydrophobicContact CG2-CG 4.25Å; T210-M212 HydrophobicContact CG2-SD 3.55Å; T210-M212 VanDerWaalsContact CG2-SD 3.55Å; T210-N228 PolarHBondContact O-ND2 3.03Å
211	R	94.9	Very high	93.7	Very high	12 Å²	12	47.6 Å²	47.6	5%	0.045	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.6	175.5	-63.5	174.3	-69	167.5	-3.5	108.6	Q177 S181 L182 I203 F226 I227	Q177-R211 PolarHBondContact OE1-O 3.48Å; S181-R211 PolarHBondContact OG-NH2 3.03Å; L182-R211 HydrophobicContact CD1-CB 3.9Å; L182-R211 HydrophobicContact CD2-CB 4.28Å; L182-R211 HydrophobicContact CG-CB 3.91Å; L182-R211 VanDerWaalsContact N-NH2 3.19Å; I203-R211 VanDerWaalsContact O-CZ 3.29Å; I203-R211 PolarHBondContact O-NH1 3.33Å; I203-R211 PolarHBondContact O-NH2 2.65Å; R211-F226 HydrophobicContact CB-CD2 3.77Å; R211-F226 HydrophobicContact CB-CE2 4.25Å; R211-F226 HydrophobicContact CB-CG 4.31Å; R211-F226 HydrophobicContact CG-CD2 3.7Å; R211-F226 HydrophobicContact CG-CE2 3.64Å; R211-F226 HydrophobicContact CG-CZ 4.45Å; R211-I227 CarbonylContact C-O 3.58Å; R211-I227 WeakPolarHBondContact CA-O 3.43Å
212	M	95.9	Very high	93.6	Very high	22 Å²	22	45.3 Å²	45.3	11%	0.108	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	157.9	-172.7	-62.1	-60.7	-71.5	0	0	111.5	E147 E148 L151 T210 I227	E147-M212 HydrophobicContact CB-CE 4.23Å; E147-M212 HydrophobicContact CB-CG 4.2Å; E147-M212 HydrophobicContact CB-SD 4.28Å; E148-M212 HydrophobicContact CB-CE 4.08Å; E148-M212 HydrophobicContact CB-SD 4.32Å; L151-M212 HydrophobicContact CB-CE 4.23Å; L151-M212 HydrophobicContact CD2-CE 3.66Å; T210-M212 HydrophobicContact CG2-CG 4.25Å; T210-M212 HydrophobicContact CG2-SD 3.55Å; T210-M212 VanDerWaalsContact CG2-SD 3.55Å; M212-I227 HydrophobicContact CB-CB 4.38Å; M212-I227 PolarHBondContact N-O 3.25Å; M212-I227 PolarHBondContact O-N 3.28Å
213	D	97.1	Very high	93.7	Very high	36 Å²	36	40.2 Å²	40.2	19%	0.193	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49	60	173.6	-170.8	28.7	0	0	0	113.9	K215 T277 Y279	D213-K215 VanDerWaalsContact OD1-CE 3.23Å; D213-K215 WeakPolarHBondContact OD1-CE 3.27Å; D213-K215 IonicContact OD1-NZ 3.34Å; D213-K215 PolarHBondContact OD1-NZ 2.59Å; D213-K215 WeakPolarHBondContact OD2-CE 3.37Å; D213-K215 IonicContact OD2-NZ 3.74Å; D213-K215 PolarHBondContact OD2-NZ 3.49Å; D213-T277 VanDerWaalsContact OD2-CB 3.31Å; D213-T277 WeakPolarHBondContact OD2-CB 3.17Å; D213-T277 PolarHBondContact OD2-OG1 2.93Å; D213-Y279 HydrophobicContact CB-CE1 4.29Å; D213-Y279 WeakPolarHBondContact O-CE1 3.37Å; D213-Y279 PolarHBondContact O-OH 3.4Å; D213-Y279 WeakPolarHBondContact OD2-CE1 3.29Å
214	P	97.8	Very high	93.8	Very high	21 Å²	21	39.8 Å²	39.8	14%	0.136	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	133.9	-178.8	33.8	-38.4	0	0	0	112.2	L175 L182 A225	L175-P214 HydrophobicContact CD2-CB 3.88Å; L175-P214 HydrophobicContact CG-CB 4.11Å; L182-P214 HydrophobicContact CD1-CB 3.95Å; L182-P214 HydrophobicContact CD2-CB 3.73Å; L182-P214 HydrophobicContact CD2-CG 3.71Å; L182-P214 HydrophobicContact CG-CB 4.45Å; P214-A225 CarbonylContact C-O 3.54Å; P214-A225 WeakPolarHBondContact CA-O 3.43Å
215	K	98.6	Very high	94.1	Very high	39 Å²	39	31 Å²	31	17%	0.17	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	137.7	177	-60.6	-179.6	-164.4	116.3	0	112.7	D213 I224 A225 T277 Y279 W281	D213-K215 VanDerWaalsContact OD1-CE 3.23Å; D213-K215 WeakPolarHBondContact OD1-CE 3.27Å; D213-K215 IonicContact OD1-NZ 3.34Å; D213-K215 PolarHBondContact OD1-NZ 2.59Å; D213-K215 WeakPolarHBondContact OD2-CE 3.37Å; D213-K215 IonicContact OD2-NZ 3.74Å; D213-K215 PolarHBondContact OD2-NZ 3.49Å; K215-I224 CarbonylContact O-C 3.51Å; K215-I224 VanDerWaalsContact O-CA 3.26Å; K215-I224 WeakPolarHBondContact O-CA 3.45Å; K215-A225 PolarHBondContact N-O 2.84Å; K215-A225 PolarHBondContact O-N 2.94Å; K215-T277 PolarHBondContact NZ-OG1 3.08Å; K215-Y279 HydrophobicContact CB-CE2 4.28Å; K215-Y279 WeakPolarHBondContact CB-OH 3.37Å; K215-Y279 HydrophobicContact CD-CE2 3.88Å; K215-Y279 HydrophobicContact CG-CE2 4.34Å; K215-Y279 WeakPolarHBondContact CG-OH 3.45Å; K215-Y279 PolarHBondContact N-OH 3Å; K215-Y279 VanDerWaalsContact NZ-CZ 3.28Å; K215-Y279 PolarHBondContact NZ-O 2.65Å; K215-W281 PolarHBondContact O-NE1 3.37Å
216	I	98.4	Very high	94.3	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	136.3	174.6	-55	168.2	0	0	0	109	D166 H168 L173 L175 P218 P221 I224	D166-I216 HydrophobicContact CB-CD1 4.27Å; D166-I216 HydrophobicContact CB-CG1 4.34Å; D166-I216 WeakPolarHBondContact OD2-CB 3.02Å; D166-I216 PolarHBondContact OD2-N 3.08Å; H168-I216 HydrophobicContact CB-CD1 4.15Å; H168-I216 HydrophobicContact CB-CG2 4.05Å; L173-I216 HydrophobicContact CB-CD1 4.48Å; L173-I216 HydrophobicContact CD2-CD1 4.05Å; L173-I216 HydrophobicContact CD2-CG1 4.39Å; L173-I216 HydrophobicContact CD2-CG2 4.18Å; L173-I216 HydrophobicContact CG-CD1 4.02Å; L173-I216 WeakPolarHBondContact O-CD1 3.28Å; L175-I216 HydrophobicContact CB-CD1 3.77Å; L175-I216 HydrophobicContact CB-CG1 3.64Å; L175-I216 HydrophobicContact CD2-CG1 3.66Å; L175-I216 HydrophobicContact CG-CG1 4.31Å; I216-P218 VanDerWaalsContact O-CD 3.24Å; I216-P218 WeakPolarHBondContact O-CD 3.33Å; I216-P221 HydrophobicContact CG2-CB 3.97Å; I216-I224 HydrophobicContact CG1-CG2 4.46Å
217	C	97.4	Very high	94.6	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.014	15%	0.149	C	C	.	.			trans	-70	116.1	170.5	179.3	0	0	0	0	109.8	G219 H220 P221 F223 W281	C217-G219 VanDerWaalsContact C-N 3.35Å; C217-G219 PolarHBondContact O-N 3.22Å; C217-H220 WeakPolarHBondContact CB-O 3.36Å; C217-H220 CarbonylContact O-C 3.53Å; C217-H220 PolarHBondContact O-N 2.94Å; C217-H220 PolarHBondContact SG-N 3.16Å; C217-P221 WeakPolarHBondContact O-CA 3.32Å; C217-F223 HydrophobicContact CB-CB 3.96Å; C217-F223 VanDerWaalsContact CB-O 3.31Å; C217-F223 WeakPolarHBondContact CB-O 3.43Å; C217-F223 PolarHBondContact N-O 2.85Å; C217-W281 HydrophobicContact CB-CD2 3.86Å; C217-W281 HydrophobicContact CB-CE3 4.13Å; C217-W281 HydrophobicContact CB-CG 4.35Å; C217-W281 HydrophobicContact CB-CH2 4.22Å; C217-W281 HydrophobicContact CB-CZ2 3.92Å; C217-W281 HydrophobicContact CB-CZ3 4.31Å
218	P	95	Very high	94.8	Very high	60 Å²	60	22.5 Å²	22.5	39%	0.39	14%	0.143	S	C	.	.	S	Bend	trans	-67.2	-35	-176.3	-18.4	31.3	0	0	0	113	H168 I216 W281	H168-P218 PolarHBondContact NE2-O 3.1Å; I216-P218 VanDerWaalsContact O-CD 3.24Å; I216-P218 WeakPolarHBondContact O-CD 3.33Å; P218-W281 HydrophobicContact CG-CB 4.43Å
219	G	90.3	Very high	95.3	Very high	20 Å²	20	19.8 Å²	19.8	21%	0.206	12%	0.119	C	C	.	.	S	Bend	trans	-75.3	-22.2	178	0	0	0	0	0	114.1	C217 P283	C217-G219 VanDerWaalsContact C-N 3.35Å; C217-G219 PolarHBondContact O-N 3.22Å; G219-P283 WeakPolarHBondContact CA-O 3.46Å; G219-P283 PolarHBondContact N-O 3.47Å
220	H	93.4	Very high	95.8	Very high	21 Å²	21	21.4 Å²	21.4	10%	0.097	12%	0.121	C	C	.	.			trans	-150.2	80.9	-180	-160.4	-42.7	0	0	0	111.9	C217 D222 F223 L295	C217-H220 WeakPolarHBondContact CB-O 3.36Å; C217-H220 CarbonylContact O-C 3.53Å; C217-H220 PolarHBondContact O-N 2.94Å; C217-H220 PolarHBondContact SG-N 3.16Å; H220-D222 IonicContact CE1-OD2 3.94Å; H220-D222 PolarHBondContact O-N 3.49Å; H220-F223 HydrophobicContact CB-CD2 4.1Å; H220-F223 AromaticContact CG-CD2 3.71Å; H220-F223 AromaticContact ND1-CD2 3.64Å; H220-F223 PolarHBondContact O-N 3.01Å; H220-L295 HydrophobicContact CB-CD1 4.16Å; H220-L295 HydrophobicContact CB-CD2 3.79Å
221	P	93.5	Very high	96.1	Very high	18 Å²	18	20.1 Å²	20.1	12%	0.117	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-8.5	-169	25.7	-40.1	0	0	0	116.9	H168 M171 L173 I216 C217	H168-P221 HydrophobicContact CB-CB 4.26Å; M171-P221 HydrophobicContact CG-CG 4.04Å; M171-P221 HydrophobicContact SD-CB 3.69Å; M171-P221 HydrophobicContact SD-CG 3.14Å; M171-P221 WeakPolarHBondContact SD-CG 3.49Å; L173-P221 HydrophobicContact CD2-CB 4.46Å; L173-P221 VanDerWaalsContact CD2-O 3.28Å; L173-P221 WeakPolarHBondContact CD2-O 3.42Å; I216-P221 HydrophobicContact CG2-CB 3.97Å; C217-P221 WeakPolarHBondContact O-CA 3.32Å
222	D	94.5	Very high	96.2	Very high	22 Å²	22	19.6 Å²	19.6	12%	0.118	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.2	169	-62.4	-20.2	0	0	0	112.3	H220 N236 I237 K238	H220-D222 IonicContact CE1-OD2 3.94Å; H220-D222 PolarHBondContact O-N 3.49Å; D222-N236 CarbonylContact O-C 3.58Å; D222-N236 VanDerWaalsContact O-CA 3.26Å; D222-N236 WeakPolarHBondContact O-CA 3.18Å; D222-I237 PolarHBondContact O-N 2.92Å; D222-K238 HydrophobicContact CB-CD 4.44Å; D222-K238 VanDerWaalsContact CG-CE 3.47Å; D222-K238 WeakPolarHBondContact OD1-CD 3.12Å; D222-K238 WeakPolarHBondContact OD1-CE 3.29Å; D222-K238 IonicContact OD1-NZ 3.74Å; D222-K238 PolarHBondContact OD1-NZ 2.87Å; D222-K238 WeakPolarHBondContact OD2-CD 3.39Å; D222-K238 WeakPolarHBondContact OD2-CE 3.47Å; D222-K238 IonicContact OD2-NZ 2.93Å; D222-K238 PolarHBondContact OD2-NZ 3.36Å
223	F	97.1	Very high	96.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	138.6	175.6	-72	-83.6	0	0	0	111.5	C217 H220 A235 N236 L295 T346 G350 I352	C217-F223 HydrophobicContact CB-CB 3.96Å; C217-F223 VanDerWaalsContact CB-O 3.31Å; C217-F223 WeakPolarHBondContact CB-O 3.43Å; C217-F223 PolarHBondContact N-O 2.85Å; H220-F223 HydrophobicContact CB-CD2 4.1Å; H220-F223 AromaticContact CG-CD2 3.71Å; H220-F223 AromaticContact ND1-CD2 3.64Å; H220-F223 PolarHBondContact O-N 3.01Å; F223-A235 WeakPolarHBondContact CA-O 3.19Å; F223-N236 HydrophobicContact CD1-CB 4.05Å; F223-N236 HydrophobicContact CE1-CB 3.83Å; F223-N236 HydrophobicContact CZ-CB 4.33Å; F223-L295 HydrophobicContact CD2-CD1 3.86Å; F223-L295 HydrophobicContact CE2-CD1 4.28Å; F223-L295 HydrophobicContact CG-CD1 4.17Å; F223-T346 HydrophobicContact CE1-CG2 4.42Å; F223-T346 HydrophobicContact CE2-CG2 3.74Å; F223-T346 HydrophobicContact CZ-CG2 3.52Å; F223-G350 WeakPolarHBondContact CZ-O 3.39Å; F223-I352 HydrophobicContact CE1-CD1 4.07Å; F223-I352 HydrophobicContact CE1-CG1 3.71Å; F223-I352 HydrophobicContact CZ-CG1 4.1Å
224	I	98	Very high	96.4	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.4	167.2	64.7	158.6	0	0	0	109.2	L175 L182 I203 K215 I216 F226 I234 A235 I237	L175-I224 HydrophobicContact CD1-CD1 4.24Å; L175-I224 HydrophobicContact CD1-CG2 4.31Å; L175-I224 HydrophobicContact CD2-CB 4.06Å; L175-I224 HydrophobicContact CD2-CG2 3.67Å; L182-I224 HydrophobicContact CD1-CD1 4.11Å; I203-I224 HydrophobicContact CD1-CD1 3.53Å; I203-I224 HydrophobicContact CG2-CD1 4.39Å; K215-I224 CarbonylContact O-C 3.51Å; K215-I224 VanDerWaalsContact O-CA 3.26Å; K215-I224 WeakPolarHBondContact O-CA 3.45Å; I216-I224 HydrophobicContact CG1-CG2 4.46Å; I224-F226 HydrophobicContact CD1-CD1 4.16Å; I224-I234 CarbonylContact O-C 3.51Å; I224-I234 VanDerWaalsContact O-CA 3.22Å; I224-I234 WeakPolarHBondContact O-CA 3.35Å; I224-A235 HydrophobicContact CD1-CB 4.39Å; I224-A235 HydrophobicContact CG1-CB 3.95Å; I224-A235 PolarHBondContact N-O 3.09Å; I224-A235 PolarHBondContact O-N 2.95Å; I224-I237 HydrophobicContact CD1-CG2 4.39Å; I224-I237 HydrophobicContact CG1-CG2 4.17Å; I224-I237 HydrophobicContact CG2-CG2 3.9Å
225	A	98.4	Very high	96.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	154.4	165.6	0	0	0	0	0	110.1	P214 K215 L232 W233 I234 Y279 W281 L297	P214-A225 CarbonylContact C-O 3.54Å; P214-A225 WeakPolarHBondContact CA-O 3.43Å; K215-A225 PolarHBondContact N-O 2.84Å; K215-A225 PolarHBondContact O-N 2.94Å; A225-L232 HydrophobicContact CB-CD1 4.46Å; A225-W233 WeakPolarHBondContact CA-O 3.32Å; A225-I234 HydrophobicContact CB-CG2 4.06Å; A225-Y279 HydrophobicContact CB-CD2 4.38Å; A225-Y279 HydrophobicContact CB-CE2 3.56Å; A225-Y279 PolarHBondContact O-OH 3.27Å; A225-Y279 VanDerWaalsContact O-OH 3.05Å; A225-W281 HydrophobicContact CB-CZ2 3.63Å; A225-L297 HydrophobicContact CB-CD1 3.71Å
226	F	98.3	Very high	96.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	165.1	174.9	57.4	-90.2	0	0	0	110.1	L182 R211 I224 N228 W233 A235	L182-F226 HydrophobicContact CD1-CB 4.06Å; L182-F226 HydrophobicContact CD1-CD1 4Å; L182-F226 HydrophobicContact CD1-CG 4.03Å; R211-F226 HydrophobicContact CB-CD2 3.77Å; R211-F226 HydrophobicContact CB-CE2 4.25Å; R211-F226 HydrophobicContact CB-CG 4.31Å; R211-F226 HydrophobicContact CG-CD2 3.7Å; R211-F226 HydrophobicContact CG-CE2 3.64Å; R211-F226 HydrophobicContact CG-CZ 4.45Å; I224-F226 HydrophobicContact CD1-CD1 4.16Å; F226-N228 HydrophobicContact CD2-CB 4.27Å; F226-N228 HydrophobicContact CE2-CB 4.12Å; F226-W233 HydrophobicContact CD2-CB 3.95Å; F226-W233 HydrophobicContact CE1-CB 4.16Å; F226-W233 HydrophobicContact CE2-CB 3.52Å; F226-W233 AromaticContact CE2-CG 3.97Å; F226-W233 HydrophobicContact CE2-CG 3.97Å; F226-W233 HydrophobicContact CG-CB 4.45Å; F226-W233 HydrophobicContact CZ-CB 3.64Å; F226-W233 HydrophobicContact CZ-CG 4.35Å; F226-W233 PolarHBondContact N-O 2.64Å; F226-W233 PolarHBondContact O-N 2.83Å; F226-A235 HydrophobicContact CE1-CB 3.89Å
227	I	97.7	Very high	96.1	Very high	11 Å²	11	16.3 Å²	16.3	6%	0.056	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.7	172.8	-57.9	-54.7	0	0	0	109.5	R211 M212 D231 L232 V264 Y279	R211-I227 CarbonylContact C-O 3.58Å; R211-I227 WeakPolarHBondContact CA-O 3.43Å; M212-I227 HydrophobicContact CB-CB 4.38Å; M212-I227 PolarHBondContact N-O 3.25Å; M212-I227 PolarHBondContact O-N 3.28Å; I227-D231 WeakPolarHBondContact CA-O 3.16Å; I227-L232 HydrophobicContact CD1-CB 4.43Å; I227-L232 HydrophobicContact CD1-CD1 3.79Å; I227-V264 HydrophobicContact CD1-CG2 4.44Å; I227-V264 HydrophobicContact CG1-CG2 4.3Å; I227-V264 HydrophobicContact CG2-CG2 3.68Å; I227-Y279 HydrophobicContact CD1-CD1 3.84Å; I227-Y279 HydrophobicContact CD1-CE1 4.03Å; I227-Y279 HydrophobicContact CG1-CD1 4.24Å; I227-Y279 HydrophobicContact CG1-CE1 4.07Å
228	N	95.5	Very high	95.8	Very high	6 Å²	6	22.6 Å²	22.6	3%	0.032	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	127.3	167.7	178.1	-113.5	0	0	0	109.7	C207 G209 T210 F226 N230 D231 W233	C207-N228 HydrophobicContact CB-CB 4.45Å; C207-N228 WeakPolarHBondContact CB-OD1 3.31Å; C207-N228 PolarHBondContact SG-OD1 2.68Å; C207-N228 VanDerWaalsContact SG-OD1 3.42Å; G209-N228 VanDerWaalsContact C-ND2 3.27Å; G209-N228 WeakPolarHBondContact CA-ND2 3.44Å; G209-N228 PolarHBondContact O-ND2 2.87Å; G209-N228 VanDerWaalsContact O-ND2 3.15Å; T210-N228 PolarHBondContact O-ND2 3.03Å; F226-N228 HydrophobicContact CD2-CB 4.27Å; F226-N228 HydrophobicContact CE2-CB 4.12Å; N228-N230 VanDerWaalsContact C-N 3.3Å; N228-N230 PolarHBondContact O-N 2.87Å; N228-D231 PolarHBondContact N-O 3.09Å; N228-D231 PolarHBondContact O-N 3.12Å; N228-D231 VanDerWaalsContact O-N 3.13Å; N228-W233 HydrophobicContact CB-CG 4.41Å; N228-W233 PolarHBondContact O-NE1 2.67Å
229	N	93.7	Very high	95.6	Very high	66 Å²	66	23.5 Å²	23.5	35%	0.353	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	49.7	-176.7	-63.4	-14.7	0	0	0	112.7	D231 H249	N229-D231 PolarHBondContact O-N 2.9Å; N229-D231 VanDerWaalsContact O-N 3.14Å; N229-H249 WeakPolarHBondContact O-CB 3.49Å; N229-H249 PolarHBondContact O-ND1 2.74Å
230	N	95.5	Very high	95.7	Very high	60 Å²	60	25.2 Å²	25.2	32%	0.321	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	13.8	179.5	-63.1	-30.2	0	0	0	116.4	N228 H249 S261 A262	N228-N230 VanDerWaalsContact C-N 3.3Å; N228-N230 PolarHBondContact O-N 2.87Å; N230-H249 HydrophobicContact CB-CB 4.06Å; N230-H249 PolarHBondContact ND2-NE2 2.7Å; N230-S261 WeakPolarHBondContact O-CA 3.3Å; N230-A262 PolarHBondContact O-N 3.36Å
231	D	97.1	Very high	95.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	158	171.4	-87.9	-67.3	0	0	0	111.8	I227 N228 N229 R244 T246 Y247 C248 H249	I227-D231 WeakPolarHBondContact CA-O 3.16Å; N228-D231 PolarHBondContact N-O 3.09Å; N228-D231 PolarHBondContact O-N 3.12Å; N228-D231 VanDerWaalsContact O-N 3.13Å; N229-D231 PolarHBondContact O-N 2.9Å; N229-D231 VanDerWaalsContact O-N 3.14Å; D231-R244 IonicContact OD2-CZ 3.74Å; D231-R244 IonicContact OD2-NE 3.18Å; D231-R244 IonicContact OD2-NH2 2.97Å; D231-R244 PolarHBondContact OD2-NH2 2.97Å; D231-T246 WeakPolarHBondContact CA-OG1 3.24Å; D231-T246 WeakPolarHBondContact CB-OG1 3.38Å; D231-T246 WeakPolarHBondContact OD1-CB 3.41Å; D231-T246 PolarHBondContact OD1-OG1 3.13Å; D231-Y247 PolarHBondContact OD1-N 3.27Å; D231-C248 PolarHBondContact OD1-N 2.8Å; D231-C248 PolarHBondContact OD1-SG 3.45Å; D231-H249 WeakPolarHBondContact OD2-CA 3.33Å; D231-H249 VanDerWaalsContact OD2-CB 3.3Å; D231-H249 WeakPolarHBondContact OD2-CB 3.2Å; D231-H249 PolarHBondContact OD2-N 3.38Å
232	L	97.8	Very high	95.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	133.7	-179.6	-173.1	70.9	0	0	0	111.1	A225 I227 L245 T246 Y279 L297 Y299	A225-L232 HydrophobicContact CB-CD1 4.46Å; I227-L232 HydrophobicContact CD1-CB 4.43Å; I227-L232 HydrophobicContact CD1-CD1 3.79Å; L232-L245 HydrophobicContact CB-CB 4.43Å; L232-L245 HydrophobicContact CD2-CB 4.28Å; L232-L245 HydrophobicContact CD2-CD1 3.82Å; L232-L245 HydrophobicContact CG-CB 4.4Å; L232-L245 HydrophobicContact CG-CD1 4.15Å; L232-L245 WeakPolarHBondContact O-CB 3.39Å; L232-L245 PolarHBondContact O-N 3.18Å; L232-T246 HydrophobicContact CB-CG2 4Å; L232-T246 PolarHBondContact N-OG1 2.61Å; L232-T246 PolarHBondContact O-N 3.27Å; L232-Y279 HydrophobicContact CD1-CD1 3.85Å; L232-Y279 HydrophobicContact CD1-CD2 3.88Å; L232-Y279 HydrophobicContact CD1-CE1 4.21Å; L232-Y279 HydrophobicContact CD1-CE2 4.26Å; L232-Y279 HydrophobicContact CD1-CG 3.66Å; L232-L297 HydrophobicContact CD1-CD1 4.3Å; L232-L297 HydrophobicContact CD1-CD2 4.27Å; L232-L297 HydrophobicContact CD2-CD1 3.9Å; L232-L297 HydrophobicContact CD2-CD2 3.31Å; L232-L297 HydrophobicContact CD2-CG 4.17Å; L232-L297 HydrophobicContact CG-CD1 4.45Å; L232-L297 HydrophobicContact CG-CD2 4.39Å; L232-Y299 HydrophobicContact CD2-CD1 4.38Å; L232-Y299 HydrophobicContact CD2-CG 4.45Å
233	W	98.1	Very high	96.1	Very high	31 Å²	31	28.5 Å²	28.5	12%	0.117	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156.1	178.2	-69.2	72.7	0	0	0	110.8	Q206 A225 F226 N228 R244	Q206-W233 HydrophobicContact CG-CZ3 4.4Å; A225-W233 WeakPolarHBondContact CA-O 3.32Å; F226-W233 HydrophobicContact CD2-CB 3.95Å; F226-W233 HydrophobicContact CE1-CB 4.16Å; F226-W233 HydrophobicContact CE2-CB 3.52Å; F226-W233 AromaticContact CE2-CG 3.97Å; F226-W233 HydrophobicContact CE2-CG 3.97Å; F226-W233 HydrophobicContact CG-CB 4.45Å; F226-W233 HydrophobicContact CZ-CB 3.64Å; F226-W233 HydrophobicContact CZ-CG 4.35Å; F226-W233 PolarHBondContact N-O 2.64Å; F226-W233 PolarHBondContact O-N 2.83Å; N228-W233 HydrophobicContact CB-CG 4.41Å; N228-W233 PolarHBondContact O-NE1 2.67Å; W233-R244 HydrophobicContact CD2-CB 3.73Å; W233-R244 HydrophobicContact CD2-CG 4.01Å; W233-R244 HydrophobicContact CE3-CB 3.71Å; W233-R244 HydrophobicContact CE3-CG 4.48Å; W233-R244 HydrophobicContact CH2-CB 3.71Å; W233-R244 HydrophobicContact CH2-CG 4.25Å; W233-R244 HydrophobicContact CZ2-CB 3.73Å; W233-R244 VanDerWaalsContact CZ2-CD 3.5Å; W233-R244 HydrophobicContact CZ2-CG 3.75Å; W233-R244 HydrophobicContact CZ3-CB 3.68Å
234	I	97.8	Very high	96.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	149.9	168.2	56.5	166.1	0	0	0	111.1	I224 A225 E242 R243 L245 W281 I344 I352	I224-I234 CarbonylContact O-C 3.51Å; I224-I234 VanDerWaalsContact O-CA 3.22Å; I224-I234 WeakPolarHBondContact O-CA 3.35Å; A225-I234 HydrophobicContact CB-CG2 4.06Å; I234-E242 WeakPolarHBondContact O-CA 3.45Å; I234-R243 HydrophobicContact CG1-CB 4.11Å; I234-R243 PolarHBondContact N-O 3.38Å; I234-R243 PolarHBondContact O-N 3.19Å; I234-L245 HydrophobicContact CD1-CD2 3.97Å; I234-L245 HydrophobicContact CG1-CD1 4.34Å; I234-L245 HydrophobicContact CG1-CD2 3.95Å; I234-L245 HydrophobicContact CG1-CG 4.11Å; I234-L245 HydrophobicContact CG2-CD1 3.55Å; I234-L245 HydrophobicContact CG2-CG 4.16Å; I234-W281 HydrophobicContact CG2-CH2 3.86Å; I234-W281 HydrophobicContact CG2-CZ2 3.84Å; I234-I344 HydrophobicContact CD1-CG1 4.12Å; I234-I344 HydrophobicContact CD1-CG2 3.77Å; I234-I352 HydrophobicContact CD1-CD1 3.59Å; I234-I352 HydrophobicContact CD1-CG1 4.35Å; I234-I352 HydrophobicContact CG1-CD1 4.22Å
235	A	97.1	Very high	96	Very high	2 Å²	2	31.8 Å²	31.8	2%	0.017	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.7	171.9	0	0	0	0	0	110.6	F223 I224 F226 E241 E242	F223-A235 WeakPolarHBondContact CA-O 3.19Å; I224-A235 HydrophobicContact CD1-CB 4.39Å; I224-A235 HydrophobicContact CG1-CB 3.95Å; I224-A235 PolarHBondContact N-O 3.09Å; I224-A235 PolarHBondContact O-N 2.95Å; F226-A235 HydrophobicContact CE1-CB 3.89Å; A235-E241 CarbonylContact C-O 3.55Å; A235-E241 VanDerWaalsContact CA-O 3.31Å; A235-E241 WeakPolarHBondContact CA-O 3.34Å; A235-E242 HydrophobicContact CB-CG 3.8Å
236	N	96.2	Very high	96	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.011	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.3	168.2	-177.8	-42.4	0	0	0	109.2	D222 F223 K238 T239 G240 E241 G350	D222-N236 CarbonylContact O-C 3.58Å; D222-N236 VanDerWaalsContact O-CA 3.26Å; D222-N236 WeakPolarHBondContact O-CA 3.18Å; F223-N236 HydrophobicContact CD1-CB 4.05Å; F223-N236 HydrophobicContact CE1-CB 3.83Å; F223-N236 HydrophobicContact CZ-CB 4.33Å; N236-K238 PolarHBondContact O-N 2.93Å; N236-K238 WeakPolarHBondContact OD1-CB 3.19Å; N236-K238 PolarHBondContact OD1-N 2.81Å; N236-T239 VanDerWaalsContact CB-OG1 3.3Å; N236-T239 WeakPolarHBondContact CB-OG1 3.44Å; N236-T239 VanDerWaalsContact CG-OG1 3.27Å; N236-T239 PolarHBondContact OD1-N 2.96Å; N236-G240 VanDerWaalsContact O-CA 3.29Å; N236-G240 WeakPolarHBondContact O-CA 3.24Å; N236-G240 PolarHBondContact O-N 2.86Å; N236-E241 PolarHBondContact N-O 2.75Å; N236-G350 PolarHBondContact ND2-O 2.83Å
237	I	95.1	Very high	95.9	Very high	21 Å²	21	39.8 Å²	39.8	11%	0.108	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.3	-173.5	67.9	-179.7	0	0	0	113.6	L173 Y184 I203 D222 I224	L173-I237 HydrophobicContact CD1-CD1 3.93Å; L173-I237 HydrophobicContact CD2-CD1 3.63Å; L173-I237 HydrophobicContact CG-CD1 4.44Å; Y184-I237 HydrophobicContact CD2-CD1 4.43Å; Y184-I237 HydrophobicContact CE1-CB 4.3Å; I203-I237 HydrophobicContact CD1-CG2 3.88Å; I203-I237 HydrophobicContact CG1-CG2 4.45Å; D222-I237 PolarHBondContact O-N 2.92Å; I224-I237 HydrophobicContact CD1-CG2 4.39Å; I224-I237 HydrophobicContact CG1-CG2 4.17Å; I224-I237 HydrophobicContact CG2-CG2 3.9Å
238	K	91.7	Very high	95.6	Very high	134 Å²	134	40.1 Å²	40.1	58%	0.583	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-47	177.7	-70.3	-173.6	-179.7	153.1	0	112.3	D222 N236	D222-K238 HydrophobicContact CB-CD 4.44Å; D222-K238 VanDerWaalsContact CG-CE 3.47Å; D222-K238 WeakPolarHBondContact OD1-CD 3.12Å; D222-K238 WeakPolarHBondContact OD1-CE 3.29Å; D222-K238 IonicContact OD1-NZ 3.74Å; D222-K238 PolarHBondContact OD1-NZ 2.87Å; D222-K238 WeakPolarHBondContact OD2-CD 3.39Å; D222-K238 WeakPolarHBondContact OD2-CE 3.47Å; D222-K238 IonicContact OD2-NZ 2.93Å; D222-K238 PolarHBondContact OD2-NZ 3.36Å; N236-K238 PolarHBondContact O-N 2.93Å; N236-K238 WeakPolarHBondContact OD1-CB 3.19Å; N236-K238 PolarHBondContact OD1-N 2.81Å
239	T	91.9	Very high	95.4	Very high	78 Å²	78	40.5 Å²	40.5	48%	0.479	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-22.8	-177.2	67.1	0	0	0	0	112.2	N236 E241	N236-T239 VanDerWaalsContact CB-OG1 3.3Å; N236-T239 WeakPolarHBondContact CB-OG1 3.44Å; N236-T239 VanDerWaalsContact CG-OG1 3.27Å; N236-T239 PolarHBondContact OD1-N 2.96Å; T239-E241 PolarHBondContact O-N 3.5Å; T239-E241 WeakPolarHBondContact OG1-CB 3.46Å; T239-E241 PolarHBondContact OG1-N 2.82Å
240	G	91.9	Very high	95.1	Very high	57 Å²	57	45 Å²	45	59%	0.588	22%	0.219	S	C	*	.			trans	73.7	8.1	-171	0	0	0	0	0	113.4	N236 E242	N236-G240 VanDerWaalsContact O-CA 3.29Å; N236-G240 WeakPolarHBondContact O-CA 3.24Å; N236-G240 PolarHBondContact O-N 2.86Å; G240-E242 PolarHBondContact O-N 2.78Å
241	E	95.3	Very high	94.4	Very high	41 Å²	41	43.8 Å²	43.8	19%	0.192	22%	0.221	C	C	.	.			trans	-66.6	128	174.4	-174.3	177.5	-169	0	0	109.7	A235 N236 T239 R243 I352	A235-E241 CarbonylContact C-O 3.55Å; A235-E241 VanDerWaalsContact CA-O 3.31Å; A235-E241 WeakPolarHBondContact CA-O 3.34Å; N236-E241 PolarHBondContact N-O 2.75Å; T239-E241 PolarHBondContact O-N 3.5Å; T239-E241 WeakPolarHBondContact OG1-CB 3.46Å; T239-E241 PolarHBondContact OG1-N 2.82Å; E241-R243 IonicContact OE1-CZ 3.58Å; E241-R243 IonicContact OE1-NE 3.5Å; E241-R243 IonicContact OE1-NH2 2.79Å; E241-R243 PolarHBondContact OE1-NH2 3.38Å; E241-I352 HydrophobicContact CG-CD1 4.08Å; E241-I352 PolarHBondContact OE2-N 2.73Å
242	E	96.3	Very high	93.6	Very high	26 Å²	26	47.4 Å²	47.4	12%	0.121	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.9	175	-64	-165.3	137.8	0	0	110.4	S205 Q206 I234 A235 G240	S205-E242 VanDerWaalsContact CA-OE1 3.23Å; S205-E242 WeakPolarHBondContact CA-OE1 3.33Å; S205-E242 VanDerWaalsContact CA-OE2 3.24Å; S205-E242 WeakPolarHBondContact CA-OE2 3.41Å; S205-E242 WeakPolarHBondContact CB-OE1 3.12Å; S205-E242 VanDerWaalsContact OG-CD 3.28Å; S205-E242 PolarHBondContact OG-OE1 3.24Å; S205-E242 PolarHBondContact OG-OE2 3.02Å; Q206-E242 WeakPolarHBondContact CG-OE2 3.43Å; Q206-E242 PolarHBondContact N-OE2 2.97Å; Q206-E242 PolarHBondContact NE2-O 2.91Å; I234-E242 WeakPolarHBondContact O-CA 3.45Å; A235-E242 HydrophobicContact CB-CG 3.8Å; G240-E242 PolarHBondContact O-N 2.78Å
243	R	96.9	Very high	92.5	Very high	62 Å²	62	54.8 Å²	54.8	23%	0.234	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	131.1	180	-166	168.1	-64.9	-167.5	7.9	111.4	I234 E241 I352 T355	I234-R243 HydrophobicContact CG1-CB 4.11Å; I234-R243 PolarHBondContact N-O 3.38Å; I234-R243 PolarHBondContact O-N 3.19Å; E241-R243 IonicContact OE1-CZ 3.58Å; E241-R243 IonicContact OE1-NE 3.5Å; E241-R243 IonicContact OE1-NH2 2.79Å; E241-R243 PolarHBondContact OE1-NH2 3.38Å; R243-I352 HydrophobicContact CB-CD1 3.84Å; R243-I352 VanDerWaalsContact CZ-CG2 3.41Å; R243-I352 VanDerWaalsContact NH1-CG2 3.28Å; R243-I352 PolarHBondContact NH2-O 2.89Å; R243-T355 HydrophobicContact CG-CG2 4.41Å
244	R	97.2	Very high	91.8	Very high	57 Å²	57	56.5 Å²	56.5	22%	0.215	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	130.1	168.9	-172.6	173.3	179.6	-179.4	-1.8	109.5	D231 W233 T246 Y247 H249	D231-R244 IonicContact OD2-CZ 3.74Å; D231-R244 IonicContact OD2-NE 3.18Å; D231-R244 IonicContact OD2-NH2 2.97Å; D231-R244 PolarHBondContact OD2-NH2 2.97Å; W233-R244 HydrophobicContact CD2-CB 3.73Å; W233-R244 HydrophobicContact CD2-CG 4.01Å; W233-R244 HydrophobicContact CE3-CB 3.71Å; W233-R244 HydrophobicContact CE3-CG 4.48Å; W233-R244 HydrophobicContact CH2-CB 3.71Å; W233-R244 HydrophobicContact CH2-CG 4.25Å; W233-R244 HydrophobicContact CZ2-CB 3.73Å; W233-R244 VanDerWaalsContact CZ2-CD 3.5Å; W233-R244 HydrophobicContact CZ2-CG 3.75Å; W233-R244 HydrophobicContact CZ3-CB 3.68Å; R244-T246 WeakPolarHBondContact CD-O 3.37Å; R244-T246 WeakPolarHBondContact CG-O 3.23Å; R244-T246 PolarHBondContact NE-O 2.93Å; R244-Y247 HydrophobicContact CB-CE1 4.31Å; R244-Y247 HydrophobicContact CG-CD1 4.44Å; R244-Y247 HydrophobicContact CG-CE1 4.05Å; R244-Y247 HydrophobicContact CG-CE2 4.39Å; R244-Y247 PolarHBondContact O-OH 2.92Å; R244-H249 PolarHBondContact NH2-O 2.77Å
245	L	97.5	Very high	91.1	Very high	14 Å²	14	58.3 Å²	58.3	7%	0.073	30%	0.302	C	S	.	.			trans	-96	-40.3	-179.3	-65.1	-173.4	0	0	0	112.4	L232 I234 L297 A342 I344 T355	L232-L245 HydrophobicContact CB-CB 4.43Å; L232-L245 HydrophobicContact CD2-CB 4.28Å; L232-L245 HydrophobicContact CD2-CD1 3.82Å; L232-L245 HydrophobicContact CG-CB 4.4Å; L232-L245 HydrophobicContact CG-CD1 4.15Å; L232-L245 WeakPolarHBondContact O-CB 3.39Å; L232-L245 PolarHBondContact O-N 3.18Å; I234-L245 HydrophobicContact CD1-CD2 3.97Å; I234-L245 HydrophobicContact CG1-CD1 4.34Å; I234-L245 HydrophobicContact CG1-CD2 3.95Å; I234-L245 HydrophobicContact CG1-CG 4.11Å; I234-L245 HydrophobicContact CG2-CD1 3.55Å; I234-L245 HydrophobicContact CG2-CG 4.16Å; L245-L297 HydrophobicContact CD1-CD1 4.45Å; L245-A342 HydrophobicContact CD1-CB 4.1Å; L245-I344 HydrophobicContact CD1-CD1 4.19Å; L245-I344 HydrophobicContact CD1-CG1 4.35Å; L245-I344 HydrophobicContact CD2-CG1 4.08Å; L245-T355 HydrophobicContact CD2-CG2 3.55Å
246	T	97.3	Very high	90.6	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.012	33%	0.332	C	S	.	.			trans	-117.3	152.3	-177	62.2	0	0	0	0	111	D231 L232 R244 A262 Y299	D231-T246 WeakPolarHBondContact CA-OG1 3.24Å; D231-T246 WeakPolarHBondContact CB-OG1 3.38Å; D231-T246 WeakPolarHBondContact OD1-CB 3.41Å; D231-T246 PolarHBondContact OD1-OG1 3.13Å; L232-T246 HydrophobicContact CB-CG2 4Å; L232-T246 PolarHBondContact N-OG1 2.61Å; L232-T246 PolarHBondContact O-N 3.27Å; R244-T246 WeakPolarHBondContact CD-O 3.37Å; R244-T246 WeakPolarHBondContact CG-O 3.23Å; R244-T246 PolarHBondContact NE-O 2.93Å; T246-A262 HydrophobicContact CG2-CB 3.9Å; T246-A262 WeakPolarHBondContact OG1-CB 3.3Å; T246-Y299 HydrophobicContact CG2-CD2 4.42Å; T246-Y299 HydrophobicContact CG2-CE1 4.12Å; T246-Y299 HydrophobicContact CG2-CE2 3.74Å
247	Y	95.6	Very high	90.2	Very high	166 Å²	166	71.2 Å²	71.2	65%	0.651	36%	0.359	S	S	*	.			trans	-133.1	33.7	-175.5	-60.7	-97.9	0	0	0	111.2	D231 R244	D231-Y247 PolarHBondContact OD1-N 3.27Å; R244-Y247 HydrophobicContact CB-CE1 4.31Å; R244-Y247 HydrophobicContact CG-CD1 4.44Å; R244-Y247 HydrophobicContact CG-CE1 4.05Å; R244-Y247 HydrophobicContact CG-CE2 4.39Å; R244-Y247 PolarHBondContact O-OH 2.92Å
248	C	92.3	Very high	90.1	Very high	18 Å²	18	70.6 Å²	70.6	12%	0.122	36%	0.356	C	S	.	.	S	Bend	trans	-79.8	-27.5	-176.5	66.4	0	0	0	0	112.3	D231 R260 S261 A262	D231-C248 PolarHBondContact OD1-N 2.8Å; D231-C248 PolarHBondContact OD1-SG 3.45Å; C248-R260 HydrophobicContact CB-CB 4.17Å; C248-S261 VanDerWaalsContact SG-CA 3.56Å; C248-A262 WeakPolarHBondContact SG-CB 3.41Å; C248-A262 PolarHBondContact SG-N 2.97Å
249	H	91.4	Very high	90.3	Very high	14 Å²	14	65.2 Å²	65.2	7%	0.065	34%	0.335	C	S	.	.			trans	-103.7	138.2	177.7	-163.6	-102.6	0	0	0	110.5	N229 N230 D231 R244 G251 L252 D258 R260	N229-H249 WeakPolarHBondContact O-CB 3.49Å; N229-H249 PolarHBondContact O-ND1 2.74Å; N230-H249 HydrophobicContact CB-CB 4.06Å; N230-H249 PolarHBondContact ND2-NE2 2.7Å; D231-H249 WeakPolarHBondContact OD2-CA 3.33Å; D231-H249 VanDerWaalsContact OD2-CB 3.3Å; D231-H249 WeakPolarHBondContact OD2-CB 3.2Å; D231-H249 PolarHBondContact OD2-N 3.38Å; R244-H249 PolarHBondContact NH2-O 2.77Å; H249-G251 VanDerWaalsContact C-N 3.31Å; H249-G251 WeakPolarHBondContact ND1-CA 3.47Å; H249-G251 PolarHBondContact ND1-N 2.83Å; H249-G251 VanDerWaalsContact ND1-N 3.13Å; H249-L252 PolarHBondContact CE1-O 2.87Å; H249-D258 WeakPolarHBondContact CA-OD1 3.29Å; H249-D258 PolarHBondContact CD2-O 3.5Å; H249-D258 IonicContact CD2-OD1 2.83Å; H249-D258 PolarHBondContact CD2-OD1 2.93Å; H249-D258 IonicContact CD2-OD2 3.67Å; H249-D258 PolarHBondContact CD2-OD2 3.02Å; H249-D258 IonicContact CE1-OD2 2.69Å; H249-D258 PolarHBondContact CE1-OD2 3.27Å; H249-D258 IonicContact CG-OD1 3.64Å; H249-D258 IonicContact CG-OD2 3.2Å; H249-D258 IonicContact ND1-OD2 2.73Å; H249-D258 PolarHBondContact ND1-OD2 3.44Å; H249-D258 PolarHBondContact NE2-O 3.37Å; H249-D258 IonicContact NE2-OD2 3.17Å; H249-D258 PolarHBondContact NE2-OD2 2.8Å; H249-R260 PolarHBondContact CD2-O 3.28Å
250	K	87.3	Confident	90.5	Very high	161 Å²	161	66.1 Å²	66.1	70%	0.7	33%	0.33	S	S	*	.			trans	-85.1	-6.7	178.9	-61.1	171.6	-173.7	163.9	0	112.8	L252 D258	K250-L252 HydrophobicContact CB-CD1 4.35Å; K250-L252 HydrophobicContact CB-CG 4.18Å; K250-D258 VanDerWaalsContact CA-OD2 3.23Å; K250-D258 WeakPolarHBondContact CA-OD2 3.49Å; K250-D258 VanDerWaalsContact CB-OD2 3.29Å; K250-D258 WeakPolarHBondContact CB-OD2 3.47Å; K250-D258 PolarHBondContact N-OD1 3.33Å; K250-D258 PolarHBondContact N-OD2 2.94Å
251	G	80.5	Confident	90.8	Very high	34 Å²	34	63.8 Å²	63.8	35%	0.351	30%	0.304	S	S	.	.			trans	80.2	24.7	-178.7	0	0	0	0	0	112.7	H249 D258	H249-G251 VanDerWaalsContact C-N 3.31Å; H249-G251 WeakPolarHBondContact ND1-CA 3.47Å; H249-G251 PolarHBondContact ND1-N 2.83Å; H249-G251 VanDerWaalsContact ND1-N 3.13Å; G251-D258 PolarHBondContact N-OD2 3.02Å
252	L	80.6	Confident	90.9	Very high	76 Å²	76	61.9 Å²	61.9	40%	0.398	30%	0.295	S	S	.	.			trans	-87.4	138.9	174.1	-58.7	174.2	0	0	0	109.6	H249 K250 N254 E257 D258	H249-L252 PolarHBondContact CE1-O 2.87Å; K250-L252 HydrophobicContact CB-CD1 4.35Å; K250-L252 HydrophobicContact CB-CG 4.18Å; L252-N254 PolarHBondContact O-N 2.89Å; L252-E257 HydrophobicContact CD1-CB 4.44Å; L252-D258 HydrophobicContact CB-CB 4.09Å; L252-D258 HydrophobicContact CD1-CB 4.49Å; L252-D258 PolarHBondContact N-OD2 3.37Å
253	D	75	Confident	91	Very high	155 Å²	155	60.7 Å²	60.7	83%	0.829	29%	0.29	S	S	*	.	S	Bend	trans	-71.2	-12.6	176.4	-61.7	-30.6	0	0	0	112.8	V255	D253-V255 PolarHBondContact O-N 3.17Å
254	N	82.1	Confident	91	Very high	66 Å²	66	59 Å²	59	35%	0.353	29%	0.287	S	S	.	.			trans	-84.8	98.1	-176.5	-173.9	-8.9	0	0	0	111.6	L252 K256 E257 D258	L252-N254 PolarHBondContact O-N 2.89Å; N254-K256 PolarHBondContact O-N 2.87Å; N254-K256 VanDerWaalsContact OD1-CB 3.24Å; N254-K256 WeakPolarHBondContact OD1-CB 3.24Å; N254-K256 PolarHBondContact OD1-N 2.98Å; N254-E257 HydrophobicContact CB-CB 4.43Å; N254-E257 VanDerWaalsContact ND2-CD 3.28Å; N254-E257 PolarHBondContact ND2-OE1 2.79Å; N254-E257 PolarHBondContact O-N 2.9Å; N254-D258 PolarHBondContact O-N 2.87Å
255	V	83.4	Confident	91.1	Very high	39 Å²	39	56.4 Å²	56.4	24%	0.236	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-17.9	177.8	-57.2	0	0	0	0	114.7	D253 A324 R326	D253-V255 PolarHBondContact O-N 3.17Å; V255-A324 HydrophobicContact CG2-CB 3.46Å; V255-A324 VanDerWaalsContact CG2-CB 3.46Å; V255-R326 PolarHBondContact O-NE 3.26Å; V255-R326 PolarHBondContact O-NH2 2.96Å
256	K	86.7	Confident	91.1	Very high	150 Å²	150	56.5 Å²	56.5	65%	0.652	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-37.4	176	-171.3	179.9	176.1	-177.7	0	112.3	N254 I309	N254-K256 PolarHBondContact O-N 2.87Å; N254-K256 VanDerWaalsContact OD1-CB 3.24Å; N254-K256 WeakPolarHBondContact OD1-CB 3.24Å; N254-K256 PolarHBondContact OD1-N 2.98Å; K256-I309 HydrophobicContact CB-CD1 3.79Å; K256-I309 HydrophobicContact CG-CD1 3.9Å
257	E	89.1	Confident	91.1	Very high	124 Å²	124	57.9 Å²	57.9	58%	0.579	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-18.9	-174	-69.5	175	-170.8	0	0	112.8	L252 N254	L252-E257 HydrophobicContact CD1-CB 4.44Å; N254-E257 HydrophobicContact CB-CB 4.43Å; N254-E257 VanDerWaalsContact ND2-CD 3.28Å; N254-E257 PolarHBondContact ND2-OE1 2.79Å; N254-E257 PolarHBondContact O-N 2.9Å
258	D	92	Very high	91.2	Very high	8 Å²	8	50.1 Å²	50.1	4%	0.043	25%	0.254	C	S	.	.			trans	-135.4	71.9	-175.1	-154	5.6	0	0	0	111.1	H249 K250 G251 L252 N254	H249-D258 WeakPolarHBondContact CA-OD1 3.29Å; H249-D258 PolarHBondContact CD2-O 3.5Å; H249-D258 IonicContact CD2-OD1 2.83Å; H249-D258 PolarHBondContact CD2-OD1 2.93Å; H249-D258 IonicContact CD2-OD2 3.67Å; H249-D258 PolarHBondContact CD2-OD2 3.02Å; H249-D258 IonicContact CE1-OD2 2.69Å; H249-D258 PolarHBondContact CE1-OD2 3.27Å; H249-D258 IonicContact CG-OD1 3.64Å; H249-D258 IonicContact CG-OD2 3.2Å; H249-D258 IonicContact ND1-OD2 2.73Å; H249-D258 PolarHBondContact ND1-OD2 3.44Å; H249-D258 PolarHBondContact NE2-O 3.37Å; H249-D258 IonicContact NE2-OD2 3.17Å; H249-D258 PolarHBondContact NE2-OD2 2.8Å; K250-D258 VanDerWaalsContact CA-OD2 3.23Å; K250-D258 WeakPolarHBondContact CA-OD2 3.49Å; K250-D258 VanDerWaalsContact CB-OD2 3.29Å; K250-D258 WeakPolarHBondContact CB-OD2 3.47Å; K250-D258 PolarHBondContact N-OD1 3.33Å; K250-D258 PolarHBondContact N-OD2 2.94Å; G251-D258 PolarHBondContact N-OD2 3.02Å; L252-D258 HydrophobicContact CB-CB 4.09Å; L252-D258 HydrophobicContact CD1-CB 4.49Å; L252-D258 PolarHBondContact N-OD2 3.37Å; N254-D258 PolarHBondContact O-N 2.87Å
259	P	95.4	Very high	91.5	Very high	22 Å²	22	49.6 Å²	49.6	14%	0.143	25%	0.25	C	S	.	.			trans	-90.2	2	-167.8	35.5	-36.3	0	0	0	114.9	E304 T305	P259-E304 PolarHBondContact O-N 3.47Å; P259-T305 WeakPolarHBondContact CG-OG1 3.48Å
260	R	96.8	Very high	91.9	Very high	97 Å²	97	50.4 Å²	50.4	37%	0.366	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	142.8	-174.1	-69.6	179.2	69	-174.3	3.8	111.2	C248 H249 E301 V302 D303	C248-R260 HydrophobicContact CB-CB 4.17Å; H249-R260 PolarHBondContact CD2-O 3.28Å; R260-E301 IonicContact CZ-OE1 3.82Å; R260-E301 IonicContact NH2-OE1 2.8Å; R260-E301 PolarHBondContact NH2-OE1 2.72Å; R260-E301 IonicContact NH2-OE2 3.88Å; R260-V302 CarbonylContact C-O 3.44Å; R260-V302 VanDerWaalsContact CA-O 3.23Å; R260-V302 WeakPolarHBondContact CA-O 3.12Å; R260-D303 HydrophobicContact CG-CB 4.05Å
261	S	97.4	Very high	92.4	Very high	8 Å²	8	43.4 Å²	43.4	6%	0.056	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	155.8	177.1	60.7	0	0	0	0	111.1	N230 C248 E301 V302	N230-S261 WeakPolarHBondContact O-CA 3.3Å; C248-S261 VanDerWaalsContact SG-CA 3.56Å; S261-E301 WeakPolarHBondContact O-CA 3.3Å; S261-V302 PolarHBondContact N-O 3.18Å; S261-V302 PolarHBondContact O-N 3.29Å
262	A	98.3	Very high	93.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	129	178.4	0	0	0	0	0	110.4	N230 T246 C248 V264 Y299 E300	N230-A262 PolarHBondContact O-N 3.36Å; T246-A262 HydrophobicContact CG2-CB 3.9Å; T246-A262 WeakPolarHBondContact OG1-CB 3.3Å; C248-A262 WeakPolarHBondContact SG-CB 3.41Å; C248-A262 PolarHBondContact SG-N 2.97Å; A262-V264 VanDerWaalsContact C-N 3.29Å; A262-Y299 HydrophobicContact CB-CD2 3.89Å; A262-Y299 HydrophobicContact CB-CE2 3.72Å; A262-E300 WeakPolarHBondContact CA-O 3.31Å
263	G	97.9	Very high	94.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	19%	0.191	C	C	.	.	S	Bend	trans	79.1	8.7	-178.3	0	0	0	0	0	114.6	G278 E300	G263-G278 VanDerWaalsContact C-CA 3.43Å; G263-G278 WeakPolarHBondContact CA-O 3.07Å; G263-G278 CarbonylContact O-C 3.53Å; G263-G278 VanDerWaalsContact O-CA 3.24Å; G263-G278 WeakPolarHBondContact O-CA 3.4Å; G263-G278 PolarHBondContact O-N 2.76Å; G263-E300 PolarHBondContact N-O 3.37Å
264	V	97.5	Very high	95.1	Very high	27 Å²	27	33.9 Å²	33.9	16%	0.164	16%	0.164	C	C	.	.			trans	-111.3	136.7	-176.8	-176	0	0	0	0	110.5	I227 A262	I227-V264 HydrophobicContact CD1-CG2 4.44Å; I227-V264 HydrophobicContact CG1-CG2 4.3Å; I227-V264 HydrophobicContact CG2-CG2 3.68Å; A262-V264 VanDerWaalsContact C-N 3.29Å
265	A	98.1	Very high	95.9	Very high	2 Å²	2	31.1 Å²	31.1	2%	0.017	15%	0.149	C	C	.	.			trans	-82.9	132.5	168	0	0	0	0	0	110	I269 Q270 R275	A265-I269 HydrophobicContact CB-CB 4.29Å; A265-I269 HydrophobicContact CB-CG2 3.73Å; A265-Q270 HydrophobicContact CB-CG 3.84Å; A265-Q270 PolarHBondContact O-NE2 2.92Å; A265-R275 WeakPolarHBondContact CB-O 3.13Å
266	T	97.8	Very high	96.5	Very high	16 Å²	16	31.6 Å²	31.6	10%	0.098	15%	0.148	C	C	.	.			trans	-73.5	172	179.5	56.1	0	0	0	0	113	V268 I269 Q270 V302 E304 P335	T266-V268 PolarHBondContact O-N 3.26Å; T266-I269 PolarHBondContact O-N 3.41Å; T266-I269 VanDerWaalsContact O-N 3.15Å; T266-I269 WeakPolarHBondContact OG1-CG1 3.05Å; T266-Q270 WeakPolarHBondContact O-CG 3.46Å; T266-Q270 PolarHBondContact O-N 3.48Å; T266-V302 HydrophobicContact CG2-CB 4.31Å; T266-V302 HydrophobicContact CG2-CG1 3.6Å; T266-V302 HydrophobicContact CG2-CG2 4.18Å; T266-E304 HydrophobicContact CG2-CG 4.33Å; T266-P335 HydrophobicContact CG2-CB 4.34Å; T266-P335 HydrophobicContact CG2-CG 3.94Å
267	F	98.1	Very high	97.1	Very high	32 Å²	32	25.9 Å²	25.9	14%	0.14	13%	0.126	C	C	.	.	H	α-helix	trans	-48.7	-55.7	-178.5	173.9	-95	0	0	0	113.3	I269 Q270 E271 Y327 D784	F267-I269 VanDerWaalsContact C-N 3.33Å; F267-I269 PolarHBondContact O-N 3.23Å; F267-Q270 PolarHBondContact O-N 2.97Å; F267-E271 HydrophobicContact CE1-CB 4.48Å; F267-E271 HydrophobicContact CZ-CB 4.31Å; F267-E271 HydrophobicContact CZ-CG 4.32Å; F267-E271 WeakPolarHBondContact O-CB 3.32Å; F267-E271 PolarHBondContact O-N 2.95Å; F267-Y327 AromaticContact CD1-CD2 3.96Å; F267-Y327 HydrophobicContact CD1-CD2 3.96Å; F267-Y327 HydrophobicContact CD1-CE2 4.14Å; F267-Y327 AromaticContact CE1-CD2 3.6Å; F267-Y327 HydrophobicContact CE1-CD2 3.6Å; F267-Y327 AromaticContact CE1-CE2 3.33Å; F267-Y327 HydrophobicContact CE1-CE2 3.33Å; F267-Y327 HydrophobicContact CZ-CD2 4.02Å; F267-Y327 AromaticContact CZ-CE2 3.65Å; F267-Y327 HydrophobicContact CZ-CE2 3.65Å; F267-D784 HydrophobicContact CE1-CB 4.47Å
268	V	98.6	Very high	97.5	Very high	3 Å²	3	20 Å²	20	2%	0.018	10%	0.098	C	C	.	.	H	α-helix	trans	-63.6	-38.6	-178.4	171	0	0	0	0	111.8	T266 Q270 E271 E272 F273 P328 Y373 D784	T266-V268 PolarHBondContact O-N 3.26Å; V268-Q270 VanDerWaalsContact C-N 3.31Å; V268-Q270 PolarHBondContact O-N 2.83Å; V268-E271 PolarHBondContact O-N 3.03Å; V268-E272 HydrophobicContact CG1-CB 4.21Å; V268-E272 HydrophobicContact CG1-CG 4.16Å; V268-E272 WeakPolarHBondContact O-CA 3.38Å; V268-E272 VanDerWaalsContact O-CB 3.29Å; V268-E272 WeakPolarHBondContact O-CB 3.47Å; V268-E272 PolarHBondContact O-N 2.9Å; V268-F273 HydrophobicContact CG1-CD2 4.21Å; V268-F273 HydrophobicContact CG1-CE2 3.86Å; V268-P328 HydrophobicContact CB-CG 4.49Å; V268-P328 HydrophobicContact CG2-CG 3.31Å; V268-Y373 HydrophobicContact CG1-CE1 4.29Å; V268-D784 HydrophobicContact CG2-CB 4.18Å
269	I	98.6	Very high	97.9	Very high	7 Å²	7	19.6 Å²	19.6	4%	0.036	10%	0.096	C	C	.	.	H	α-helix	trans	-64.8	-38.5	178.1	-64	-59.4	0	0	0	111.4	A265 T266 F267 F273 D274 R275 Y373	A265-I269 HydrophobicContact CB-CB 4.29Å; A265-I269 HydrophobicContact CB-CG2 3.73Å; T266-I269 PolarHBondContact O-N 3.41Å; T266-I269 VanDerWaalsContact O-N 3.15Å; T266-I269 WeakPolarHBondContact OG1-CG1 3.05Å; F267-I269 VanDerWaalsContact C-N 3.33Å; F267-I269 PolarHBondContact O-N 3.23Å; I269-F273 HydrophobicContact CD1-CD2 3.9Å; I269-F273 HydrophobicContact CD1-CE2 4.34Å; I269-F273 CarbonylContact O-C 3.52Å; I269-F273 WeakPolarHBondContact O-CB 3.35Å; I269-F273 PolarHBondContact O-N 3.28Å; I269-D274 PolarHBondContact O-N 2.96Å; I269-R275 HydrophobicContact CG2-CB 3.71Å; I269-R275 HydrophobicContact CG2-CG 4.06Å; I269-R275 VanDerWaalsContact CG2-CZ 3.41Å; I269-R275 VanDerWaalsContact CG2-NE 3.34Å; I269-R275 PolarHBondContact O-N 2.92Å; I269-R275 VanDerWaalsContact O-N 3.16Å; I269-Y373 HydrophobicContact CD1-CD1 4.3Å
270	Q	98.3	Very high	98	Very high	31 Å²	31	20 Å²	20	15%	0.145	10%	0.095	C	C	.	.	H	α-helix	trans	-72.3	-45.2	176.2	-65.6	-171.3	27.5	0	0	112.3	R154 A265 T266 F267 V268 R275 F276	R154-Q270 HydrophobicContact CB-CB 3.98Å; R154-Q270 HydrophobicContact CG-CB 3.85Å; A265-Q270 HydrophobicContact CB-CG 3.84Å; A265-Q270 PolarHBondContact O-NE2 2.92Å; T266-Q270 WeakPolarHBondContact O-CG 3.46Å; T266-Q270 PolarHBondContact O-N 3.48Å; F267-Q270 PolarHBondContact O-N 2.97Å; V268-Q270 VanDerWaalsContact C-N 3.31Å; V268-Q270 PolarHBondContact O-N 2.83Å; Q270-R275 WeakPolarHBondContact CA-O 3.39Å; Q270-F276 HydrophobicContact CB-CD1 4.11Å; Q270-F276 HydrophobicContact CB-CE1 4.33Å; Q270-F276 HydrophobicContact CG-CD1 4.23Å; Q270-F276 VanDerWaalsContact O-CE1 3.31Å; Q270-F276 WeakPolarHBondContact O-CE1 3.23Å
271	E	98.1	Very high	98.1	Very high	13 Å²	13	16.3 Å²	16.3	6%	0.061	8%	0.081	C	C	.	.	H	α-helix	trans	-80	-38.6	-173.1	-166.3	70.4	154.6	0	0	112.9	R154 R156 F267 V268 N831	R154-E271 VanDerWaalsContact CD-OE2 3.27Å; R154-E271 WeakPolarHBondContact CD-OE2 3.37Å; R154-E271 IonicContact CZ-OE1 3.82Å; R154-E271 IonicContact CZ-OE2 3.42Å; R154-E271 IonicContact NE-OE1 3.44Å; R154-E271 IonicContact NE-OE2 2.79Å; R154-E271 PolarHBondContact NE-OE2 2.94Å; R154-E271 IonicContact NH2-OE1 2.61Å; R154-E271 PolarHBondContact NH2-OE1 3.45Å; R154-E271 IonicContact NH2-OE2 3.41Å; R156-E271 IonicContact CZ-OE1 3.34Å; R156-E271 IonicContact CZ-OE2 3.2Å; R156-E271 IonicContact NH1-OE1 3.59Å; R156-E271 PolarHBondContact NH1-OE1 3.27Å; R156-E271 IonicContact NH1-OE2 2.71Å; R156-E271 PolarHBondContact NH1-OE2 2.95Å; R156-E271 IonicContact NH2-OE1 3.37Å; R156-E271 PolarHBondContact NH2-OE1 3.08Å; R156-E271 IonicContact NH2-OE2 2.77Å; R156-E271 PolarHBondContact NH2-OE2 3.47Å; F267-E271 HydrophobicContact CE1-CB 4.48Å; F267-E271 HydrophobicContact CZ-CB 4.31Å; F267-E271 HydrophobicContact CZ-CG 4.32Å; F267-E271 WeakPolarHBondContact O-CB 3.32Å; F267-E271 PolarHBondContact O-N 2.95Å; V268-E271 PolarHBondContact O-N 3.03Å; E271-N831 PolarHBondContact OE1-ND2 3.35Å; E271-N831 PolarHBondContact OE1-OD1 3.17Å
272	E	98.1	Very high	98.1	Very high	12 Å²	12	16 Å²	16	6%	0.056	8%	0.079	C	C	.	.	H	α-helix	trans	-109	-14.2	-167.5	-56.1	-52	147.2	0	0	115.3	V268 D784 Y787 R790	V268-E272 HydrophobicContact CG1-CB 4.21Å; V268-E272 HydrophobicContact CG1-CG 4.16Å; V268-E272 WeakPolarHBondContact O-CA 3.38Å; V268-E272 VanDerWaalsContact O-CB 3.29Å; V268-E272 WeakPolarHBondContact O-CB 3.47Å; V268-E272 PolarHBondContact O-N 2.9Å; E272-D784 VanDerWaalsContact CG-OD1 3.3Å; E272-D784 WeakPolarHBondContact CG-OD1 3.24Å; E272-Y787 WeakPolarHBondContact OE2-CB 3.39Å; E272-Y787 WeakPolarHBondContact OE2-CD2 3.49Å; E272-R790 PolarHBondContact O-NH1 3.37Å; E272-R790 VanDerWaalsContact O-NH1 3.17Å; E272-R790 IonicContact OE2-NH2 3.85Å; E272-R790 PolarHBondContact OE2-NH2 3.42Å
273	F	98	Very high	97.9	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.018	9%	0.092	C	C	.	.	S	Bend	trans	-123.1	0.6	-178.5	-63.1	-78.9	0	0	0	113	V268 I269 R275 Y373 R376 L391 Q395 V445	V268-F273 HydrophobicContact CG1-CD2 4.21Å; V268-F273 HydrophobicContact CG1-CE2 3.86Å; I269-F273 HydrophobicContact CD1-CD2 3.9Å; I269-F273 HydrophobicContact CD1-CE2 4.34Å; I269-F273 CarbonylContact O-C 3.52Å; I269-F273 WeakPolarHBondContact O-CB 3.35Å; I269-F273 PolarHBondContact O-N 3.28Å; F273-R275 PolarHBondContact O-N 3.34Å; F273-R275 VanDerWaalsContact O-N 3.14Å; F273-Y373 AromaticContact CE2-CD1 3.78Å; F273-Y373 HydrophobicContact CE2-CD1 3.78Å; F273-Y373 HydrophobicContact CE2-CD2 4.39Å; F273-Y373 HydrophobicContact CE2-CE1 4.14Å; F273-Y373 AromaticContact CE2-CG 3.91Å; F273-Y373 HydrophobicContact CE2-CG 3.91Å; F273-Y373 HydrophobicContact CZ-CD1 4.08Å; F273-Y373 AromaticContact CZ-CD2 3.85Å; F273-Y373 HydrophobicContact CZ-CD2 3.85Å; F273-Y373 HydrophobicContact CZ-CE1 4.44Å; F273-Y373 HydrophobicContact CZ-CE2 4.23Å; F273-Y373 AromaticContact CZ-CG 3.77Å; F273-Y373 HydrophobicContact CZ-CG 3.77Å; F273-R376 VanDerWaalsContact O-CZ 3.27Å; F273-R376 PolarHBondContact O-NH1 3.22Å; F273-R376 PolarHBondContact O-NH2 2.95Å; F273-L391 HydrophobicContact CD1-CD1 4.25Å; F273-L391 HydrophobicContact CE1-CD1 3.56Å; F273-L391 HydrophobicContact CZ-CD1 4.33Å; F273-Q395 HydrophobicContact CZ-CG 4.39Å; F273-V445 HydrophobicContact CD1-CB 4.45Å; F273-V445 HydrophobicContact CD1-CG2 3.84Å; F273-V445 HydrophobicContact CE1-CG2 4.17Å
274	D	97.5	Very high	97.6	Very high	49 Å²	49	20.4 Å²	20.4	26%	0.262	11%	0.109	S	C	.	.			trans	53.6	30.2	-180	-68.9	-38.8	0	0	0	113.6	I269 F276 H521	I269-D274 PolarHBondContact O-N 2.96Å; D274-F276 HydrophobicContact CB-CE2 4.29Å; D274-F276 HydrophobicContact CB-CZ 4.27Å; D274-F276 VanDerWaalsContact O-CE2 3.29Å; D274-F276 WeakPolarHBondContact O-CE2 3.32Å; D274-H521 IonicContact OD2-CE1 3.22Å; D274-H521 IonicContact OD2-ND1 2.67Å
275	R	97.8	Very high	97.2	Very high	8 Å²	8	20.6 Å²	20.6	3%	0.03	11%	0.113	C	C	.	.			trans	-106.1	115.5	174.7	177	172.7	71.3	90.7	-8.5	110	A265 I269 Q270 F273 T277 E300 M374 A375	A265-R275 WeakPolarHBondContact CB-O 3.13Å; I269-R275 HydrophobicContact CG2-CB 3.71Å; I269-R275 HydrophobicContact CG2-CG 4.06Å; I269-R275 VanDerWaalsContact CG2-CZ 3.41Å; I269-R275 VanDerWaalsContact CG2-NE 3.34Å; I269-R275 PolarHBondContact O-N 2.92Å; I269-R275 VanDerWaalsContact O-N 3.16Å; Q270-R275 WeakPolarHBondContact CA-O 3.39Å; F273-R275 PolarHBondContact O-N 3.34Å; F273-R275 VanDerWaalsContact O-N 3.14Å; R275-T277 WeakPolarHBondContact CG-O 3.14Å; R275-T277 PolarHBondContact NH1-O 2.79Å; R275-E300 IonicContact CZ-OE2 2.91Å; R275-E300 IonicContact NH1-OE2 2.9Å; R275-E300 PolarHBondContact NH1-OE2 3.45Å; R275-E300 VanDerWaalsContact NH2-CD 3.33Å; R275-E300 IonicContact NH2-OE1 2.72Å; R275-E300 PolarHBondContact NH2-OE1 2.9Å; R275-E300 IonicContact NH2-OE2 2.57Å; R275-E300 PolarHBondContact NH2-OE2 3.42Å; R275-M374 PolarHBondContact NE-O 3.4Å; R275-M374 PolarHBondContact NH2-O 2.63Å; R275-A375 VanDerWaalsContact CD-O 3.31Å; R275-A375 WeakPolarHBondContact CD-O 3.4Å
276	F	97.4	Very high	96.6	Very high	50 Å²	50	23.1 Å²	23.1	22%	0.219	13%	0.133	C	C	.	.			trans	-108.3	11.2	-173.1	-49.7	-73.5	0	0	0	114.4	L151 R154 K155 Q270 D274	L151-F276 HydrophobicContact CD1-CB 4.14Å; L151-F276 HydrophobicContact CD1-CD1 4.18Å; L151-F276 HydrophobicContact CD1-CG 4.49Å; R154-F276 HydrophobicContact CB-CD1 4.32Å; R154-F276 HydrophobicContact CB-CE1 3.91Å; K155-F276 HydrophobicContact CB-CE1 4.44Å; K155-F276 HydrophobicContact CB-CZ 4.45Å; K155-F276 HydrophobicContact CD-CD1 4.45Å; K155-F276 HydrophobicContact CD-CD2 4.27Å; K155-F276 HydrophobicContact CD-CG 4.18Å; K155-F276 VanDerWaalsContact CE-CD2 3.49Å; K155-F276 HydrophobicContact CG-CD1 3.59Å; K155-F276 HydrophobicContact CG-CD2 3.88Å; K155-F276 HydrophobicContact CG-CE1 3.59Å; K155-F276 HydrophobicContact CG-CE2 3.87Å; K155-F276 HydrophobicContact CG-CG 3.74Å; K155-F276 HydrophobicContact CG-CZ 3.73Å; Q270-F276 HydrophobicContact CB-CD1 4.11Å; Q270-F276 HydrophobicContact CB-CE1 4.33Å; Q270-F276 HydrophobicContact CG-CD1 4.23Å; Q270-F276 VanDerWaalsContact O-CE1 3.31Å; Q270-F276 WeakPolarHBondContact O-CE1 3.23Å; D274-F276 HydrophobicContact CB-CE2 4.29Å; D274-F276 HydrophobicContact CB-CZ 4.27Å; D274-F276 VanDerWaalsContact O-CE2 3.29Å; D274-F276 WeakPolarHBondContact O-CE2 3.32Å
277	T	98.4	Very high	96.1	Very high	29 Å²	29	26.4 Å²	26.4	18%	0.178	16%	0.163	C	C	.	.			trans	-137.3	142.6	-179	165.8	0	0	0	0	109.8	D213 K215 R275 Y279	D213-T277 VanDerWaalsContact OD2-CB 3.31Å; D213-T277 WeakPolarHBondContact OD2-CB 3.17Å; D213-T277 PolarHBondContact OD2-OG1 2.93Å; K215-T277 PolarHBondContact NZ-OG1 3.08Å; R275-T277 WeakPolarHBondContact CG-O 3.14Å; R275-T277 PolarHBondContact NH1-O 2.79Å; T277-Y279 PolarHBondContact OG1-N 3.16Å; T277-Y279 VanDerWaalsContact OG1-N 3.11Å; T277-Y279 PolarHBondContact OG1-O 2.72Å
278	G	98.4	Very high	95.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-110.7	11.3	169.6	0	0	0	0	0	114	G263 W280 Y299 E300	G263-G278 VanDerWaalsContact C-CA 3.43Å; G263-G278 WeakPolarHBondContact CA-O 3.07Å; G263-G278 CarbonylContact O-C 3.53Å; G263-G278 VanDerWaalsContact O-CA 3.24Å; G263-G278 WeakPolarHBondContact O-CA 3.4Å; G263-G278 PolarHBondContact O-N 2.76Å; G278-W280 WeakPolarHBondContact O-CZ3 3.41Å; G278-Y299 CarbonylContact O-C 3.37Å; G278-Y299 VanDerWaalsContact O-CA 3.29Å; G278-Y299 WeakPolarHBondContact O-CA 3.33Å; G278-E300 PolarHBondContact O-N 3.37Å
279	Y	98.8	Very high	95	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	151.4	-179.8	83.4	-89.9	0	0	0	114.5	D213 K215 A225 I227 L232 T277 L297 L298	D213-Y279 HydrophobicContact CB-CE1 4.29Å; D213-Y279 WeakPolarHBondContact O-CE1 3.37Å; D213-Y279 PolarHBondContact O-OH 3.4Å; D213-Y279 WeakPolarHBondContact OD2-CE1 3.29Å; K215-Y279 HydrophobicContact CB-CE2 4.28Å; K215-Y279 WeakPolarHBondContact CB-OH 3.37Å; K215-Y279 HydrophobicContact CD-CE2 3.88Å; K215-Y279 HydrophobicContact CG-CE2 4.34Å; K215-Y279 WeakPolarHBondContact CG-OH 3.45Å; K215-Y279 PolarHBondContact N-OH 3Å; K215-Y279 VanDerWaalsContact NZ-CZ 3.28Å; K215-Y279 PolarHBondContact NZ-O 2.65Å; A225-Y279 HydrophobicContact CB-CD2 4.38Å; A225-Y279 HydrophobicContact CB-CE2 3.56Å; A225-Y279 PolarHBondContact O-OH 3.27Å; A225-Y279 VanDerWaalsContact O-OH 3.05Å; I227-Y279 HydrophobicContact CD1-CD1 3.84Å; I227-Y279 HydrophobicContact CD1-CE1 4.03Å; I227-Y279 HydrophobicContact CG1-CD1 4.24Å; I227-Y279 HydrophobicContact CG1-CE1 4.07Å; L232-Y279 HydrophobicContact CD1-CD1 3.85Å; L232-Y279 HydrophobicContact CD1-CD2 3.88Å; L232-Y279 HydrophobicContact CD1-CE1 4.21Å; L232-Y279 HydrophobicContact CD1-CE2 4.26Å; L232-Y279 HydrophobicContact CD1-CG 3.66Å; T277-Y279 PolarHBondContact OG1-N 3.16Å; T277-Y279 VanDerWaalsContact OG1-N 3.11Å; T277-Y279 PolarHBondContact OG1-O 2.72Å; Y279-L297 HydrophobicContact CD2-CD1 3.97Å; Y279-L297 HydrophobicContact CD2-CD2 3.74Å; Y279-L297 HydrophobicContact CD2-CG 4.05Å; Y279-L297 HydrophobicContact CE2-CD1 4.33Å; Y279-L297 HydrophobicContact CG-CD2 4.15Å; Y279-L298 CarbonylContact C-O 3.53Å; Y279-L298 WeakPolarHBondContact CA-O 3.47Å
280	W	98.6	Very high	94.2	Very high	31 Å²	31	38.5 Å²	38.5	12%	0.117	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	118.5	-171.4	-51.7	-86.9	0	0	0	111.9	G278 L298 L339 M374 A377 W379	G278-W280 WeakPolarHBondContact O-CZ3 3.41Å; W280-L298 HydrophobicContact CE3-CB 4.38Å; W280-L298 HydrophobicContact CE3-CD2 4.09Å; W280-L298 HydrophobicContact CE3-CG 4.13Å; W280-L298 PolarHBondContact N-O 3.28Å; W280-L298 PolarHBondContact O-N 3.39Å; W280-L339 HydrophobicContact CZ3-CD2 4.12Å; W280-M374 HydrophobicContact CH2-CE 4.35Å; W280-A377 VanDerWaalsContact CD1-O 3.29Å; W280-A377 HydrophobicContact CD2-CB 4.01Å; W280-A377 HydrophobicContact CE3-CB 3.9Å; W280-A377 HydrophobicContact CH2-CB 3.62Å; W280-A377 HydrophobicContact CZ2-CB 3.7Å; W280-A377 HydrophobicContact CZ3-CB 3.71Å; W280-A377 PolarHBondContact NE1-O 2.86Å; W280-W379 PolarHBondContact O-NE1 2.8Å
281	W	98.4	Very high	93.4	Very high	19 Å²	19	39.3 Å²	39.3	7%	0.072	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	136.9	170.3	-81.1	116.7	0	0	0	111.3	K215 C217 P218 A225 I234 L295 L297 I344 W379	K215-W281 PolarHBondContact O-NE1 3.37Å; C217-W281 HydrophobicContact CB-CD2 3.86Å; C217-W281 HydrophobicContact CB-CE3 4.13Å; C217-W281 HydrophobicContact CB-CG 4.35Å; C217-W281 HydrophobicContact CB-CH2 4.22Å; C217-W281 HydrophobicContact CB-CZ2 3.92Å; C217-W281 HydrophobicContact CB-CZ3 4.31Å; P218-W281 HydrophobicContact CG-CB 4.43Å; A225-W281 HydrophobicContact CB-CZ2 3.63Å; I234-W281 HydrophobicContact CG2-CH2 3.86Å; I234-W281 HydrophobicContact CG2-CZ2 3.84Å; W281-L295 HydrophobicContact CZ3-CB 3.99Å; W281-L295 HydrophobicContact CZ3-CD1 4.38Å; W281-L297 HydrophobicContact CD2-CD1 3.89Å; W281-L297 HydrophobicContact CD2-CG 4.26Å; W281-L297 HydrophobicContact CE3-CB 4.01Å; W281-L297 HydrophobicContact CE3-CD1 4.05Å; W281-L297 HydrophobicContact CE3-CG 4.23Å; W281-L297 HydrophobicContact CH2-CD1 3.98Å; W281-L297 HydrophobicContact CZ2-CD1 3.84Å; W281-L297 HydrophobicContact CZ3-CB 4.11Å; W281-L297 HydrophobicContact CZ3-CD1 4.08Å; W281-I344 HydrophobicContact CH2-CD1 4.43Å; W281-I344 HydrophobicContact CZ3-CD1 4.21Å; W281-W379 VanDerWaalsContact C-CD1 3.49Å
282	S	97.3	Very high	93	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.014	25%	0.251	C	S	.	.			trans	-64.1	136	162.3	179.4	0	0	0	0	109.5	S284 H296	S282-S284 PolarHBondContact O-N 2.85Å; S282-S284 PolarHBondContact OG-N 2.96Å; S282-S284 PolarHBondContact OG-O 2.94Å; S282-S284 PolarHBondContact OG-OG 2.75Å; S282-H296 WeakPolarHBondContact CB-O 3.45Å; S282-H296 PolarHBondContact N-O 3.26Å
283	P	94.9	Very high	92.8	Very high	44 Å²	44	41.8 Å²	41.8	29%	0.286	26%	0.264	S	S	.	.	S	Bend	trans	-71.5	-20.2	178.2	28.5	-34.3	0	0	0	112.6	G219 W379 T380 I381	G219-P283 WeakPolarHBondContact CA-O 3.46Å; G219-P283 PolarHBondContact N-O 3.47Å; P283-W379 VanDerWaalsContact CD-CB 3.45Å; P283-W379 HydrophobicContact CG-CB 4.28Å; P283-T380 VanDerWaalsContact CG-O 3.23Å; P283-T380 WeakPolarHBondContact CG-O 3.32Å; P283-I381 WeakPolarHBondContact CG-O 3.48Å
284	S	90.4	Very high	92.6	Very high	50 Å²	50	42.1 Å²	42.1	35%	0.35	27%	0.266	S	S	.	.			trans	-104.3	149.2	179.6	61.1	0	0	0	0	111.9	S282 D382 G383	S282-S284 PolarHBondContact O-N 2.85Å; S282-S284 PolarHBondContact OG-N 2.96Å; S282-S284 PolarHBondContact OG-O 2.94Å; S282-S284 PolarHBondContact OG-OG 2.75Å; S284-D382 WeakPolarHBondContact CB-O 3.34Å; S284-D382 PolarHBondContact OG-O 3.42Å; S284-G383 WeakPolarHBondContact OG-CA 3.28Å
285	A	88.9	Confident	92.6	Very high	30 Å²	30	39.9 Å²	39.9	25%	0.248	25%	0.254	C	S	.	.			trans	-120.1	119.6	171.7	0	0	0	0	0	107.5	K293 L295	A285-K293 HydrophobicContact CB-CD 4.31Å; A285-L295 HydrophobicContact CB-CD2 3.45Å; A285-L295 VanDerWaalsContact CB-CD2 3.45Å
286	A	86.5	Confident	92.5	Very high	55 Å²	55	41 Å²	41	46%	0.455	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	128.4	177.8	0	0	0	0	0	109.1	K293 T294	A286-K293 CarbonylContact O-C 3.51Å; A286-K293 VanDerWaalsContact O-CA 3.26Å; A286-K293 WeakPolarHBondContact O-CA 3.42Å; A286-T294 PolarHBondContact N-O 3.12Å; A286-T294 PolarHBondContact O-N 2.81Å
287	A	87.6	Confident	92.6	Very high	86 Å²	86	38.7 Å²	38.7	71%	0.711	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.5	174.3	0	0	0	0	0	109.6
288	D	86.4	Confident	92.6	Very high	37 Å²	37	37.3 Å²	37.3	20%	0.198	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-85.5	151.5	177.8	-65.2	-47.6	0	0	0	110.3	D290 G291 G292 K293 T294	D288-D290 WeakPolarHBondContact CB-OD1 3.41Å; D288-D290 PolarHBondContact O-N 2.86Å; D288-D290 VanDerWaalsContact O-N 3.08Å; D288-G291 PolarHBondContact O-N 2.95Å; D288-G292 PolarHBondContact N-O 2.96Å; D288-K293 PolarHBondContact OD2-N 2.75Å; D288-T294 PolarHBondContact OD1-OG1 2.98Å; D288-T294 PolarHBondContact OD2-N 2.89Å; D288-T294 PolarHBondContact OD2-OG1 2.96Å
289	P	85.9	Confident	92.6	Very high	144 Å²	144	37.3 Å²	37.3	94%	0.935	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.4	-177.6	-25.8	34.8	0	0	0	114.9	G291	P289-G291 VanDerWaalsContact C-N 3.28Å
290	D	82	Confident	92.6	Very high	114 Å²	114	37.5 Å²	37.5	61%	0.61	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	4.8	177.7	62.2	-2.5	0	0	0	113.4	D288 G292	D288-D290 WeakPolarHBondContact CB-OD1 3.41Å; D288-D290 PolarHBondContact O-N 2.86Å; D288-D290 VanDerWaalsContact O-N 3.08Å; D290-G292 VanDerWaalsContact C-N 3.31Å; D290-G292 PolarHBondContact OD1-N 2.87Å
291	G	81.6	Confident	92.6	Very high	48 Å²	48	36.8 Å²	36.8	50%	0.495	24%	0.24	S	C	.	.	S	Bend	trans	84.1	3.7	-177.6	0	0	0	0	0	113.9	D288 P289	D288-G291 PolarHBondContact O-N 2.95Å; P289-G291 VanDerWaalsContact C-N 3.28Å
292	G	89.9	Confident	92.6	Very high	1 Å²	1	36 Å²	36	1%	0.01	24%	0.237	C	C	.	.			trans	-73.6	-177.7	169.5	0	0	0	0	0	113.5	D288 D290 T346	D288-G292 PolarHBondContact N-O 2.96Å; D290-G292 VanDerWaalsContact C-N 3.31Å; D290-G292 PolarHBondContact OD1-N 2.87Å; G292-T346 CarbonylContact C-O 3.55Å; G292-T346 WeakPolarHBondContact CA-O 3.49Å
293	K	93.8	Very high	92.6	Very high	77 Å²	77	38.2 Å²	38.2	34%	0.335	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.3	172.1	-69.6	172.8	174.7	-177.2	0	111.4	A285 A286 D288 T346	A285-K293 HydrophobicContact CB-CD 4.31Å; A286-K293 CarbonylContact O-C 3.51Å; A286-K293 VanDerWaalsContact O-CA 3.26Å; A286-K293 WeakPolarHBondContact O-CA 3.42Å; D288-K293 PolarHBondContact OD2-N 2.75Å; K293-T346 PolarHBondContact N-O 3.03Å; K293-T346 PolarHBondContact O-N 2.93Å; K293-T346 PolarHBondContact O-OG1 3.33Å
294	T	95	Very high	92.7	Very high	10 Å²	10	37.7 Å²	37.7	6%	0.061	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121	168.7	-64.7	0	0	0	0	109.7	A286 D288 E343 I344	A286-T294 PolarHBondContact N-O 3.12Å; A286-T294 PolarHBondContact O-N 2.81Å; D288-T294 PolarHBondContact OD1-OG1 2.98Å; D288-T294 PolarHBondContact OD2-N 2.89Å; D288-T294 PolarHBondContact OD2-OG1 2.96Å; T294-E343 HydrophobicContact CG2-CG 3.57Å; T294-I344 WeakPolarHBondContact CA-O 3.27Å
295	L	95.8	Very high	93.1	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	146.7	175.9	-46.2	175.3	0	0	0	109.5	H220 F223 W281 A285 I344 T346	H220-L295 HydrophobicContact CB-CD1 4.16Å; H220-L295 HydrophobicContact CB-CD2 3.79Å; F223-L295 HydrophobicContact CD2-CD1 3.86Å; F223-L295 HydrophobicContact CE2-CD1 4.28Å; F223-L295 HydrophobicContact CG-CD1 4.17Å; W281-L295 HydrophobicContact CZ3-CB 3.99Å; W281-L295 HydrophobicContact CZ3-CD1 4.38Å; A285-L295 HydrophobicContact CB-CD2 3.45Å; A285-L295 VanDerWaalsContact CB-CD2 3.45Å; L295-I344 HydrophobicContact CB-CB 4.27Å; L295-I344 PolarHBondContact N-O 3.49Å; L295-I344 PolarHBondContact O-N 3.44Å; L295-T346 HydrophobicContact CD1-CG2 4.42Å
296	H	97.4	Very high	93.5	Very high	33 Å²	33	42.1 Å²	42.1	15%	0.153	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.6	177.2	-68.2	140.3	0	0	0	111.3	S282 L341 A342 E343 W379	S282-H296 WeakPolarHBondContact CB-O 3.45Å; S282-H296 PolarHBondContact N-O 3.26Å; H296-L341 HydrophobicContact CB-CD1 4.16Å; H296-A342 WeakPolarHBondContact CA-O 3.44Å; H296-E343 IonicContact CD2-OE2 2.82Å; H296-E343 IonicContact NE2-OE2 3.8Å; H296-E343 PolarHBondContact NE2-OE2 3.44Å; H296-E343 VanDerWaalsContact NE2-OE2 3.11Å; H296-W379 HydrophobicContact CB-CH2 4.07Å; H296-W379 HydrophobicContact CB-CZ2 4.11Å
297	L	97.8	Very high	94	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	110.5	176.8	-166.8	163.3	0	0	0	108.5	A225 L232 L245 Y279 W281 A342 I344	A225-L297 HydrophobicContact CB-CD1 3.71Å; L232-L297 HydrophobicContact CD1-CD1 4.3Å; L232-L297 HydrophobicContact CD1-CD2 4.27Å; L232-L297 HydrophobicContact CD2-CD1 3.9Å; L232-L297 HydrophobicContact CD2-CD2 3.31Å; L232-L297 HydrophobicContact CD2-CG 4.17Å; L232-L297 HydrophobicContact CG-CD1 4.45Å; L232-L297 HydrophobicContact CG-CD2 4.39Å; L245-L297 HydrophobicContact CD1-CD1 4.45Å; Y279-L297 HydrophobicContact CD2-CD1 3.97Å; Y279-L297 HydrophobicContact CD2-CD2 3.74Å; Y279-L297 HydrophobicContact CD2-CG 4.05Å; Y279-L297 HydrophobicContact CE2-CD1 4.33Å; Y279-L297 HydrophobicContact CG-CD2 4.15Å; W281-L297 HydrophobicContact CD2-CD1 3.89Å; W281-L297 HydrophobicContact CD2-CG 4.26Å; W281-L297 HydrophobicContact CE3-CB 4.01Å; W281-L297 HydrophobicContact CE3-CD1 4.05Å; W281-L297 HydrophobicContact CE3-CG 4.23Å; W281-L297 HydrophobicContact CH2-CD1 3.98Å; W281-L297 HydrophobicContact CZ2-CD1 3.84Å; W281-L297 HydrophobicContact CZ3-CB 4.11Å; W281-L297 HydrophobicContact CZ3-CD1 4.08Å; L297-A342 HydrophobicContact CB-CB 4.39Å; L297-A342 PolarHBondContact N-O 2.86Å; L297-A342 PolarHBondContact O-N 3.02Å; L297-I344 HydrophobicContact CB-CD1 4.4Å
298	L	98.7	Very high	94.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	133.4	175.9	-178.2	73.4	0	0	0	108.2	Y279 W280 L339 K340 L341 W379 F408	Y279-L298 CarbonylContact C-O 3.53Å; Y279-L298 WeakPolarHBondContact CA-O 3.47Å; W280-L298 HydrophobicContact CE3-CB 4.38Å; W280-L298 HydrophobicContact CE3-CD2 4.09Å; W280-L298 HydrophobicContact CE3-CG 4.13Å; W280-L298 PolarHBondContact N-O 3.28Å; W280-L298 PolarHBondContact O-N 3.39Å; L298-L339 HydrophobicContact CD1-CB 4.48Å; L298-L339 HydrophobicContact CD1-CD2 4.11Å; L298-L339 HydrophobicContact CD2-CD2 4.28Å; L298-L339 HydrophobicContact CG-CD2 4.04Å; L298-K340 WeakPolarHBondContact CD1-O 3.23Å; L298-L341 HydrophobicContact CB-CD1 4.33Å; L298-L341 HydrophobicContact CD1-CD1 4.44Å; L298-W379 HydrophobicContact CB-CZ2 3.77Å; L298-F408 HydrophobicContact CD1-CE1 4.34Å; L298-F408 HydrophobicContact CD1-CZ 3.84Å
299	Y	98.8	Very high	95	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	154.8	177.6	72.5	-83.9	0	0	0	112.4	L232 T246 A262 G278 E301 K340 A342 D357	L232-Y299 HydrophobicContact CD2-CD1 4.38Å; L232-Y299 HydrophobicContact CD2-CG 4.45Å; T246-Y299 HydrophobicContact CG2-CD2 4.42Å; T246-Y299 HydrophobicContact CG2-CE1 4.12Å; T246-Y299 HydrophobicContact CG2-CE2 3.74Å; A262-Y299 HydrophobicContact CB-CD2 3.89Å; A262-Y299 HydrophobicContact CB-CE2 3.72Å; G278-Y299 CarbonylContact O-C 3.37Å; G278-Y299 VanDerWaalsContact O-CA 3.29Å; G278-Y299 WeakPolarHBondContact O-CA 3.33Å; Y299-E301 HydrophobicContact CE2-CB 4.12Å; Y299-K340 HydrophobicContact CD1-CB 4.08Å; Y299-K340 HydrophobicContact CD2-CB 4.32Å; Y299-K340 HydrophobicContact CE1-CB 3.48Å; Y299-K340 VanDerWaalsContact CE1-CB 3.48Å; Y299-K340 HydrophobicContact CE2-CB 3.76Å; Y299-K340 HydrophobicContact CE2-CD 4.03Å; Y299-K340 HydrophobicContact CE2-CG 4.41Å; Y299-K340 HydrophobicContact CG-CB 4.46Å; Y299-K340 PolarHBondContact N-O 3.37Å; Y299-K340 PolarHBondContact O-N 3.32Å; Y299-K340 WeakPolarHBondContact OH-CB 3.3Å; Y299-K340 WeakPolarHBondContact OH-CD 3.32Å; Y299-A342 HydrophobicContact CD1-CB 4.45Å; Y299-A342 HydrophobicContact CE1-CB 4.25Å; Y299-D357 WeakPolarHBondContact CE1-OD1 3.35Å; Y299-D357 PolarHBondContact OH-OD1 2.95Å; Y299-D357 PolarHBondContact OH-OD2 2.9Å
300	E	98.6	Very high	95.5	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.019	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	126.7	170.7	-173.9	177.3	-152.9	0	0	109.2	A262 G263 R275 G278 V302 A337 T338 M374	A262-E300 WeakPolarHBondContact CA-O 3.31Å; G263-E300 PolarHBondContact N-O 3.37Å; R275-E300 IonicContact CZ-OE2 2.91Å; R275-E300 IonicContact NH1-OE2 2.9Å; R275-E300 PolarHBondContact NH1-OE2 3.45Å; R275-E300 VanDerWaalsContact NH2-CD 3.33Å; R275-E300 IonicContact NH2-OE1 2.72Å; R275-E300 PolarHBondContact NH2-OE1 2.9Å; R275-E300 IonicContact NH2-OE2 2.57Å; R275-E300 PolarHBondContact NH2-OE2 3.42Å; G278-E300 PolarHBondContact O-N 3.37Å; E300-V302 HydrophobicContact CG-CG2 3.76Å; E300-A337 HydrophobicContact CG-CB 4.27Å; E300-T338 WeakPolarHBondContact CA-O 3.4Å; E300-M374 HydrophobicContact CB-CE 3.48Å; E300-M374 VanDerWaalsContact CB-CE 3.48Å; E300-M374 HydrophobicContact CG-CE 3.29Å; E300-M374 VanDerWaalsContact OE1-CE 3.3Å; E300-M374 WeakPolarHBondContact OE1-CE 3.26Å
301	E	98.6	Very high	96.3	Very high	17 Å²	17	35.6 Å²	35.6	8%	0.079	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	134.7	164.7	-171.9	178.1	97	0	0	109	R260 S261 Y299 A337 T338 K340	R260-E301 IonicContact CZ-OE1 3.82Å; R260-E301 IonicContact NH2-OE1 2.8Å; R260-E301 PolarHBondContact NH2-OE1 2.72Å; R260-E301 IonicContact NH2-OE2 3.88Å; S261-E301 WeakPolarHBondContact O-CA 3.3Å; Y299-E301 HydrophobicContact CE2-CB 4.12Å; E301-A337 WeakPolarHBondContact O-CA 3.05Å; E301-T338 HydrophobicContact CB-CG2 4.09Å; E301-T338 PolarHBondContact N-O 2.84Å; E301-T338 PolarHBondContact O-N 3.27Å; E301-K340 HydrophobicContact CB-CD 4.11Å; E301-K340 WeakPolarHBondContact OE1-CE 3.3Å; E301-K340 IonicContact OE1-NZ 2.74Å; E301-K340 PolarHBondContact OE1-NZ 3.03Å; E301-K340 WeakPolarHBondContact OE2-CE 3.29Å; E301-K340 IonicContact OE2-NZ 3.11Å; E301-K340 PolarHBondContact OE2-NZ 3.03Å
302	V	97.9	Very high	97	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.5	-174.9	-178.3	0	0	0	0	110.8	R260 S261 T266 E300 E304 P335 Q336 A337	R260-V302 CarbonylContact C-O 3.44Å; R260-V302 VanDerWaalsContact CA-O 3.23Å; R260-V302 WeakPolarHBondContact CA-O 3.12Å; S261-V302 PolarHBondContact N-O 3.18Å; S261-V302 PolarHBondContact O-N 3.29Å; T266-V302 HydrophobicContact CG2-CB 4.31Å; T266-V302 HydrophobicContact CG2-CG1 3.6Å; T266-V302 HydrophobicContact CG2-CG2 4.18Å; E300-V302 HydrophobicContact CG-CG2 3.76Å; V302-E304 HydrophobicContact CG1-CG 3.94Å; V302-P335 HydrophobicContact CG1-CB 3.42Å; V302-P335 VanDerWaalsContact CG1-CB 3.42Å; V302-P335 HydrophobicContact CG1-CG 4.34Å; V302-Q336 CarbonylContact C-O 3.52Å; V302-Q336 WeakPolarHBondContact CA-O 3.32Å; V302-A337 HydrophobicContact CG2-CB 4.43Å
303	D	97.7	Very high	97.3	Very high	47 Å²	47	35.2 Å²	35.2	25%	0.251	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	112.7	167.8	-168.4	-21.6	0	0	0	111	R260 T305 P335 Q336	R260-D303 HydrophobicContact CG-CB 4.05Å; D303-T305 WeakPolarHBondContact OD1-CB 3.43Å; D303-T305 PolarHBondContact OD1-N 2.87Å; D303-T305 PolarHBondContact OD1-OG1 2.87Å; D303-P335 WeakPolarHBondContact O-CA 3.28Å; D303-Q336 HydrophobicContact CB-CB 4.45Å; D303-Q336 PolarHBondContact N-O 2.73Å; D303-Q336 PolarHBondContact O-N 2.92Å
304	E	98.1	Very high	97.3	Very high	33 Å²	33	32.4 Å²	32.4	15%	0.154	17%	0.166	C	C	.	.			trans	-95.7	14.1	178.1	-57.5	-167.5	106.9	0	0	113.3	P259 T266 V302 E306 V307 R326 P335	P259-E304 PolarHBondContact O-N 3.47Å; T266-E304 HydrophobicContact CG2-CG 4.33Å; V302-E304 HydrophobicContact CG1-CG 3.94Å; E304-E306 VanDerWaalsContact C-N 3.25Å; E304-E306 PolarHBondContact O-N 2.87Å; E304-E306 VanDerWaalsContact O-N 3.17Å; E304-V307 HydrophobicContact CB-CB 4.28Å; E304-V307 HydrophobicContact CB-CG2 4.09Å; E304-V307 WeakPolarHBondContact O-CB 3.13Å; E304-V307 PolarHBondContact O-N 2.92Å; E304-R326 HydrophobicContact CB-CB 4.31Å; E304-R326 HydrophobicContact CB-CG 3.85Å; E304-R326 HydrophobicContact CG-CG 4.5Å; E304-R326 VanDerWaalsContact O-CZ 3.24Å; E304-R326 PolarHBondContact O-NH1 2.9Å; E304-P335 HydrophobicContact CG-CB 3.99Å; E304-P335 HydrophobicContact CG-CG 3.98Å
305	T	97.1	Very high	97.1	Very high	67 Å²	67	34.2 Å²	34.2	41%	0.411	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-46.2	-174.9	-66.9	0	0	0	0	112.3	P259 D303 R326	P259-T305 WeakPolarHBondContact CG-OG1 3.48Å; D303-T305 WeakPolarHBondContact OD1-CB 3.43Å; D303-T305 PolarHBondContact OD1-N 2.87Å; D303-T305 PolarHBondContact OD1-OG1 2.87Å; T305-R326 PolarHBondContact O-NH1 3.09Å
306	E	97.4	Very high	96.9	Very high	107 Å²	107	35.9 Å²	35.9	50%	0.5	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.7	-175.3	-65.6	-66.8	116.9	0	0	114	E304 K333	E304-E306 VanDerWaalsContact C-N 3.25Å; E304-E306 PolarHBondContact O-N 2.87Å; E304-E306 VanDerWaalsContact O-N 3.17Å; E306-K333 HydrophobicContact CB-CB 4.47Å; E306-K333 HydrophobicContact CB-CD 3.7Å; E306-K333 HydrophobicContact CG-CD 4.33Å; E306-K333 IonicContact OE2-NZ 2.77Å; E306-K333 PolarHBondContact OE2-NZ 2.74Å
307	V	98.4	Very high	96.6	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.024	20%	0.198	C	C	.	.	S	Bend	trans	-79.8	135.2	178.5	-178.4	0	0	0	0	109.2	E304 R326 P328 P335	E304-V307 HydrophobicContact CB-CB 4.28Å; E304-V307 HydrophobicContact CB-CG2 4.09Å; E304-V307 WeakPolarHBondContact O-CB 3.13Å; E304-V307 PolarHBondContact O-N 2.92Å; V307-R326 HydrophobicContact CB-CB 4.4Å; V307-R326 HydrophobicContact CG1-CB 4Å; V307-R326 PolarHBondContact O-NH1 3.18Å; V307-P328 HydrophobicContact CG1-CB 4.02Å; V307-P328 HydrophobicContact CG1-CG 4.39Å; V307-P335 HydrophobicContact CG2-CB 4.26Å; V307-P335 HydrophobicContact CG2-CG 3.84Å
308	E	97.6	Very high	96.5	Very high	70 Å²	70	44.7 Å²	44.7	33%	0.327	24%	0.235	S	C	.	.			trans	-58.1	145.1	179.6	-63.9	-174.6	-176	0	0	111.5	R326 Y327 R329	E308-R326 WeakPolarHBondContact O-CA 3.31Å; E308-Y327 PolarHBondContact O-N 2.9Å; E308-R329 VanDerWaalsContact CD-NE 3.34Å; E308-R329 IonicContact OE1-CZ 3.5Å; E308-R329 IonicContact OE1-NE 3.39Å; E308-R329 PolarHBondContact OE1-NE 2.85Å; E308-R329 VanDerWaalsContact OE1-NE 3.13Å; E308-R329 IonicContact OE1-NH2 2.73Å; E308-R329 PolarHBondContact OE1-NH2 3.45Å; E308-R329 VanDerWaalsContact OE2-CD 3.31Å; E308-R329 WeakPolarHBondContact OE2-CD 3.36Å; E308-R329 IonicContact OE2-CZ 3.71Å; E308-R329 IonicContact OE2-NE 3.13Å; E308-R329 PolarHBondContact OE2-NE 2.84Å; E308-R329 IonicContact OE2-NH2 3.43Å
309	I	97.5	Very high	96.3	Very high	53 Å²	53	49.8 Å²	49.8	27%	0.272	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.8	175.5	-60.7	173.4	0	0	0	108.9	K256 A324 Y325	K256-I309 HydrophobicContact CB-CD1 3.79Å; K256-I309 HydrophobicContact CG-CD1 3.9Å; I309-A324 HydrophobicContact CG2-CB 3.86Å; I309-Y325 VanDerWaalsContact CA-O 3.31Å; I309-Y325 WeakPolarHBondContact CA-O 3.21Å
310	I	96.8	Very high	96.2	Very high	37 Å²	37	60.5 Å²	60.5	19%	0.19	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	163.1	169.8	64.9	171.7	0	0	0	110.3	V312 A324 Y325 Y327 H833	I310-V312 HydrophobicContact CD1-CG2 4.25Å; I310-A324 WeakPolarHBondContact O-CA 3.41Å; I310-Y325 PolarHBondContact N-O 3.42Å; I310-Y325 PolarHBondContact O-N 2.94Å; I310-Y327 HydrophobicContact CD1-CD1 4.26Å; I310-Y327 HydrophobicContact CD1-CD2 3.99Å; I310-Y327 HydrophobicContact CD1-CG 3.67Å; I310-Y327 HydrophobicContact CG1-CG 4.42Å; I310-H833 WeakPolarHBondContact CD1-CE1 3.44Å; I310-H833 WeakPolarHBondContact CD1-NE2 3.33Å
311	H	97	Very high	96	Very high	135 Å²	135	66.5 Å²	66.5	63%	0.625	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.8	176.3	-65.5	83.8	0	0	0	109.6	A322 D323	H311-A322 HydrophobicContact CB-CB 3.9Å; H311-D323 WeakPolarHBondContact CA-O 3.31Å
312	V	96.4	Very high	95.8	Very high	6 Å²	6	68.1 Å²	68.1	4%	0.036	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.7	176.7	-178.1	0	0	0	0	107.9	I310 S314 A322 D323 Y325 L828 E830	I310-V312 HydrophobicContact CD1-CG2 4.25Å; V312-S314 PolarHBondContact O-N 2.9Å; V312-A322 CarbonylContact O-C 3.59Å; V312-A322 VanDerWaalsContact O-CA 3.22Å; V312-A322 WeakPolarHBondContact O-CA 3.29Å; V312-A322 WeakPolarHBondContact O-CB 3.5Å; V312-D323 PolarHBondContact N-O 3.07Å; V312-D323 PolarHBondContact O-N 3.48Å; V312-Y325 HydrophobicContact CB-CD2 3.98Å; V312-Y325 HydrophobicContact CB-CE2 3.77Å; V312-Y325 HydrophobicContact CG2-CD2 3.73Å; V312-Y325 HydrophobicContact CG2-CE2 3.97Å; V312-L828 WeakPolarHBondContact CG1-O 3.31Å; V312-E830 HydrophobicContact CG1-CB 4.29Å; V312-E830 HydrophobicContact CG2-CB 4.17Å
313	P	96.7	Very high	95.6	Very high	35 Å²	35	69.5 Å²	69.5	23%	0.227	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	137.2	178.5	-26.5	35.2	0	0	0	112.2	F827 L828	P313-F827 HydrophobicContact CB-CD1 3.93Å; P313-F827 HydrophobicContact CB-CE1 3.61Å; P313-F827 HydrophobicContact CB-CZ 4.27Å; P313-F827 HydrophobicContact CG-CD1 4.01Å; P313-F827 HydrophobicContact CG-CE1 3.58Å; P313-F827 HydrophobicContact CG-CE2 4.29Å; P313-F827 HydrophobicContact CG-CZ 3.74Å; P313-L828 HydrophobicContact CB-CD2 3.97Å; P313-L828 WeakPolarHBondContact O-CD2 3.19Å
314	S	93.6	Very high	95.5	Very high	17 Å²	17	68.4 Å²	68.4	12%	0.119	35%	0.345	C	S	.	.			trans	-73.2	145	178.2	-171.6	0	0	0	0	110.4	V312 A316 K321 D323	V312-S314 PolarHBondContact O-N 2.9Å; S314-A316 PolarHBondContact O-N 3.02Å; S314-K321 PolarHBondContact N-O 3.2Å; S314-D323 PolarHBondContact OG-OD1 2.7Å
315	P	91.4	Very high	95.3	Very high	49 Å²	49	68 Å²	68	32%	0.318	34%	0.343	S	S	.	.	S	Bend	trans	-59.3	-27.7	177	-23.2	32.9	0	0	0	114.2	L317 L828	P315-L317 VanDerWaalsContact C-N 3.26Å; P315-L317 PolarHBondContact O-N 3.09Å; P315-L828 HydrophobicContact CB-CD1 3.95Å; P315-L828 HydrophobicContact CG-CD1 4.18Å
316	A	91.9	Very high	95.3	Very high	37 Å²	37	65.8 Å²	65.8	31%	0.306	33%	0.327	S	S	.	.			trans	-78.2	73.8	173.5	0	0	0	0	0	110.6	S314 E318 E319	S314-A316 PolarHBondContact O-N 3.02Å; A316-E318 PolarHBondContact O-N 2.98Å; A316-E318 VanDerWaalsContact O-N 3.12Å; A316-E319 HydrophobicContact CB-CG 3.98Å; A316-E319 WeakPolarHBondContact O-CB 3.35Å; A316-E319 PolarHBondContact O-N 2.93Å
317	L	91.2	Very high	95.4	Very high	52 Å²	52	61 Å²	61	27%	0.272	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-56	-32.2	-171.4	-65.9	179.5	0	0	0	113.6	P315 E319 R320 F827 L828 P857 N858	P315-L317 VanDerWaalsContact C-N 3.26Å; P315-L317 PolarHBondContact O-N 3.09Å; L317-E319 PolarHBondContact O-N 2.85Å; L317-R320 WeakPolarHBondContact O-CG 3.29Å; L317-R320 PolarHBondContact O-N 2.78Å; L317-F827 HydrophobicContact CD2-CD1 4.22Å; L317-F827 HydrophobicContact CD2-CE1 4.42Å; L317-L828 HydrophobicContact CD2-CD2 4.04Å; L317-P857 HydrophobicContact CD1-CB 3.69Å; L317-N858 VanDerWaalsContact CD1-OD1 3.31Å; L317-N858 WeakPolarHBondContact CD1-OD1 3.48Å
318	E	94.8	Very high	95.4	Very high	166 Å²	166	60.9 Å²	60.9	78%	0.776	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-62.5	-29	177.4	-65.1	77.5	-170.8	0	0	112.6	A316 R320	A316-E318 PolarHBondContact O-N 2.98Å; A316-E318 VanDerWaalsContact O-N 3.12Å; E318-R320 PolarHBondContact O-N 2.82Å
319	E	95.1	Very high	95.4	Very high	107 Å²	107	62 Å²	62	50%	0.5	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-70.8	-23.2	176.5	-63.2	-162	-174.4	0	0	112.4	A316 L317 K321	A316-E319 HydrophobicContact CB-CG 3.98Å; A316-E319 WeakPolarHBondContact O-CB 3.35Å; A316-E319 PolarHBondContact O-N 2.93Å; L317-E319 PolarHBondContact O-N 2.85Å; E319-K321 HydrophobicContact CB-CD 4.36Å; E319-K321 HydrophobicContact CB-CG 4.18Å; E319-K321 PolarHBondContact O-N 2.68Å; E319-K321 WeakPolarHBondContact OE2-CD 3.41Å; E319-K321 WeakPolarHBondContact OE2-CE 3.39Å; E319-K321 IonicContact OE2-NZ 3.03Å; E319-K321 PolarHBondContact OE2-NZ 2.86Å
320	R	95.5	Very high	95.4	Very high	225 Å²	225	59.5 Å²	59.5	85%	0.849	29%	0.292	S	S	*	.			trans	53.4	40.3	-177.4	-60.1	170.7	-71.4	175.4	-0.1	112.4	L317 E318	L317-R320 WeakPolarHBondContact O-CG 3.29Å; L317-R320 PolarHBondContact O-N 2.78Å; E318-R320 PolarHBondContact O-N 2.82Å
321	K	95.3	Very high	95.5	Very high	130 Å²	130	59.2 Å²	59.2	57%	0.565	30%	0.298	S	S	*	.			trans	-105.2	169.1	174.8	-68.2	-177.9	-168.9	153	0	111.2	S314 E319	S314-K321 PolarHBondContact N-O 3.2Å; E319-K321 HydrophobicContact CB-CD 4.36Å; E319-K321 HydrophobicContact CB-CG 4.18Å; E319-K321 PolarHBondContact O-N 2.68Å; E319-K321 WeakPolarHBondContact OE2-CD 3.41Å; E319-K321 WeakPolarHBondContact OE2-CE 3.39Å; E319-K321 IonicContact OE2-NZ 3.03Å; E319-K321 PolarHBondContact OE2-NZ 2.86Å
322	A	94.6	Very high	95.5	Very high	50 Å²	50	53.4 Å²	53.4	41%	0.413	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.1	169.8	0	0	0	0	0	109.1	H311 V312	H311-A322 HydrophobicContact CB-CB 3.9Å; V312-A322 CarbonylContact O-C 3.59Å; V312-A322 VanDerWaalsContact O-CA 3.22Å; V312-A322 WeakPolarHBondContact O-CA 3.29Å; V312-A322 WeakPolarHBondContact O-CB 3.5Å
323	D	93.2	Very high	95.6	Very high	32 Å²	32	58.5 Å²	58.5	17%	0.171	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	135.9	176.4	-63.5	-21.3	0	0	0	108.9	R146 H311 V312 S314 Y325	R146-D323 IonicContact NE-OD2 3.86Å; H311-D323 WeakPolarHBondContact CA-O 3.31Å; V312-D323 PolarHBondContact N-O 3.07Å; V312-D323 PolarHBondContact O-N 3.48Å; S314-D323 PolarHBondContact OG-OD1 2.7Å; D323-Y325 HydrophobicContact CB-CD2 4.35Å; D323-Y325 HydrophobicContact CB-CE2 3.6Å; D323-Y325 WeakPolarHBondContact O-CD2 3.22Å
324	A	95.1	Very high	95.7	Very high	24 Å²	24	57.5 Å²	57.5	20%	0.198	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	136.8	174.4	0	0	0	0	0	110.6	R146 V255 I309 I310	R146-A324 PolarHBondContact NH2-O 3.4Å; R146-A324 VanDerWaalsContact NH2-O 3.12Å; V255-A324 HydrophobicContact CG2-CB 3.46Å; V255-A324 VanDerWaalsContact CG2-CB 3.46Å; I309-A324 HydrophobicContact CG2-CB 3.86Å; I310-A324 WeakPolarHBondContact O-CA 3.41Å
325	Y	95.4	Very high	95.9	Very high	24 Å²	24	57.6 Å²	57.6	9%	0.094	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.1	175.6	-69.2	-98.6	0	0	0	110	R146 L150 I309 I310 V312 D323 E830	R146-Y325 VanDerWaalsContact NH2-CZ 3.32Å; L150-Y325 HydrophobicContact CD1-CE1 3.74Å; L150-Y325 HydrophobicContact CD2-CE1 3.88Å; L150-Y325 HydrophobicContact CG-CE1 4.49Å; I309-Y325 VanDerWaalsContact CA-O 3.31Å; I309-Y325 WeakPolarHBondContact CA-O 3.21Å; I310-Y325 PolarHBondContact N-O 3.42Å; I310-Y325 PolarHBondContact O-N 2.94Å; V312-Y325 HydrophobicContact CB-CD2 3.98Å; V312-Y325 HydrophobicContact CB-CE2 3.77Å; V312-Y325 HydrophobicContact CG2-CD2 3.73Å; V312-Y325 HydrophobicContact CG2-CE2 3.97Å; D323-Y325 HydrophobicContact CB-CD2 4.35Å; D323-Y325 HydrophobicContact CB-CE2 3.6Å; D323-Y325 WeakPolarHBondContact O-CD2 3.22Å; Y325-E830 HydrophobicContact CE1-CB 4.36Å; Y325-E830 HydrophobicContact CE1-CG 4.44Å
326	R	97.3	Very high	96.2	Very high	22 Å²	22	61.8 Å²	61.8	8%	0.083	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	118.4	164.3	-65.8	-69.9	180	165.4	8.8	107.7	V255 E304 T305 V307 E308	V255-R326 PolarHBondContact O-NE 3.26Å; V255-R326 PolarHBondContact O-NH2 2.96Å; E304-R326 HydrophobicContact CB-CB 4.31Å; E304-R326 HydrophobicContact CB-CG 3.85Å; E304-R326 HydrophobicContact CG-CG 4.5Å; E304-R326 VanDerWaalsContact O-CZ 3.24Å; E304-R326 PolarHBondContact O-NH1 2.9Å; T305-R326 PolarHBondContact O-NH1 3.09Å; V307-R326 HydrophobicContact CB-CB 4.4Å; V307-R326 HydrophobicContact CG1-CB 4Å; V307-R326 PolarHBondContact O-NH1 3.18Å; E308-R326 WeakPolarHBondContact O-CA 3.31Å
327	Y	98.3	Very high	96.4	Very high	5 Å²	5	61.7 Å²	61.7	2%	0.02	30%	0.302	C	S	.	.			trans	-138.2	102.6	-174.6	-170.6	-90.6	0	0	0	110.4	F267 E308 I310 R329 D784 H833	F267-Y327 AromaticContact CD1-CD2 3.96Å; F267-Y327 HydrophobicContact CD1-CD2 3.96Å; F267-Y327 HydrophobicContact CD1-CE2 4.14Å; F267-Y327 AromaticContact CE1-CD2 3.6Å; F267-Y327 HydrophobicContact CE1-CD2 3.6Å; F267-Y327 AromaticContact CE1-CE2 3.33Å; F267-Y327 HydrophobicContact CE1-CE2 3.33Å; F267-Y327 HydrophobicContact CZ-CD2 4.02Å; F267-Y327 AromaticContact CZ-CE2 3.65Å; F267-Y327 HydrophobicContact CZ-CE2 3.65Å; E308-Y327 PolarHBondContact O-N 2.9Å; I310-Y327 HydrophobicContact CD1-CD1 4.26Å; I310-Y327 HydrophobicContact CD1-CD2 3.99Å; I310-Y327 HydrophobicContact CD1-CG 3.67Å; I310-Y327 HydrophobicContact CG1-CG 4.42Å; Y327-R329 HydrophobicContact CD1-CB 4.3Å; Y327-R329 HydrophobicContact CE1-CB 4.21Å; Y327-R329 PolarHBondContact O-N 2.97Å; Y327-R329 VanDerWaalsContact O-N 3.08Å; Y327-D784 HydrophobicContact CE1-CB 4.34Å; Y327-D784 HydrophobicContact CE2-CB 4.31Å; Y327-D784 PolarHBondContact OH-N 2.9Å; Y327-H833 AromaticContact CD1-NE2 3.54Å; Y327-H833 AromaticContact CD2-CE1 3.6Å; Y327-H833 AromaticContact CD2-NE2 3.59Å; Y327-H833 AromaticContact CE1-NE2 3.32Å; Y327-H833 VanDerWaalsContact CE1-NE2 3.32Å; Y327-H833 WeakPolarHBondContact CE1-NE2 3.2Å; Y327-H833 AromaticContact CE2-CE1 3.32Å; Y327-H833 WeakPolarHBondContact CE2-CE1 3.36Å; Y327-H833 AromaticContact CE2-NE2 3.37Å; Y327-H833 WeakPolarHBondContact CE2-NE2 3.38Å; Y327-H833 AromaticContact CG-NE2 3.65Å; Y327-H833 AromaticContact CZ-CE1 3.6Å; Y327-H833 AromaticContact CZ-NE2 3.21Å
328	P	98	Very high	96.7	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.013	30%	0.299	C	S	.	.			trans	-78.9	92.9	177.4	33.1	-34.2	0	0	0	109.1	V268 V307 K333 D784 T785	V268-P328 HydrophobicContact CB-CG 4.49Å; V268-P328 HydrophobicContact CG2-CG 3.31Å; V307-P328 HydrophobicContact CG1-CB 4.02Å; V307-P328 HydrophobicContact CG1-CG 4.39Å; P328-K333 WeakPolarHBondContact CB-O 3.35Å; P328-D784 CarbonylContact O-C 3.59Å; P328-D784 VanDerWaalsContact O-CA 3.27Å; P328-D784 WeakPolarHBondContact O-CA 3.41Å; P328-T785 HydrophobicContact CB-CG2 4.08Å; P328-T785 WeakPolarHBondContact O-CG2 3.48Å; P328-T785 PolarHBondContact O-N 2.6Å
329	R	97.9	Very high	96.9	Very high	94 Å²	94	53 Å²	53	36%	0.355	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-65.1	152.5	169.8	67.3	179.7	178.2	80.2	14.5	110.6	E308 Y327 G331 S332 Y783 T785	E308-R329 VanDerWaalsContact CD-NE 3.34Å; E308-R329 IonicContact OE1-CZ 3.5Å; E308-R329 IonicContact OE1-NE 3.39Å; E308-R329 PolarHBondContact OE1-NE 2.85Å; E308-R329 VanDerWaalsContact OE1-NE 3.13Å; E308-R329 IonicContact OE1-NH2 2.73Å; E308-R329 PolarHBondContact OE1-NH2 3.45Å; E308-R329 VanDerWaalsContact OE2-CD 3.31Å; E308-R329 WeakPolarHBondContact OE2-CD 3.36Å; E308-R329 IonicContact OE2-CZ 3.71Å; E308-R329 IonicContact OE2-NE 3.13Å; E308-R329 PolarHBondContact OE2-NE 2.84Å; E308-R329 IonicContact OE2-NH2 3.43Å; Y327-R329 HydrophobicContact CD1-CB 4.3Å; Y327-R329 HydrophobicContact CE1-CB 4.21Å; Y327-R329 PolarHBondContact O-N 2.97Å; Y327-R329 VanDerWaalsContact O-N 3.08Å; R329-G331 PolarHBondContact O-N 2.78Å; R329-S332 PolarHBondContact N-OG 2.8Å; R329-S332 VanDerWaalsContact O-CB 3.23Å; R329-S332 WeakPolarHBondContact O-CB 3.32Å; R329-S332 PolarHBondContact O-N 2.91Å; R329-S332 PolarHBondContact O-OG 3.07Å; R329-Y783 CarbonylContact C-O 3.54Å; R329-Y783 WeakPolarHBondContact CA-O 3.29Å; R329-T785 WeakPolarHBondContact O-CG2 3.49Å
330	T	98.4	Very high	97	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	137.1	178.6	-174.9	0	0	0	0	113.2	S332 W780 Y783 T788 E789 P795 Y802	T330-S332 PolarHBondContact O-N 2.84Å; T330-W780 WeakPolarHBondContact CG2-O 3.45Å; T330-Y783 PolarHBondContact N-O 2.86Å; T330-T788 HydrophobicContact CG2-CG2 4.21Å; T330-E789 VanDerWaalsContact OG1-CG 3.32Å; T330-E789 WeakPolarHBondContact OG1-CG 3.24Å; T330-P795 HydrophobicContact CG2-CG 4.11Å; T330-Y802 HydrophobicContact CG2-CE1 3.82Å; T330-Y802 PolarHBondContact OG1-OH 2.84Å
331	G	97.8	Very high	97.2	Very high	31 Å²	31	38 Å²	38	32%	0.32	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	-16.4	-173.7	0	0	0	0	0	115.2	R329 E789	R329-G331 PolarHBondContact O-N 2.78Å; G331-E789 PolarHBondContact N-OE1 3.29Å
332	S	98.3	Very high	97.3	Very high	12 Å²	12	32 Å²	32	8%	0.084	18%	0.177	C	C	.	.	S	Bend	trans	-81.6	-175.5	175.5	79.4	0	0	0	0	112.2	R329 T330 R393	R329-S332 PolarHBondContact N-OG 2.8Å; R329-S332 VanDerWaalsContact O-CB 3.23Å; R329-S332 WeakPolarHBondContact O-CB 3.32Å; R329-S332 PolarHBondContact O-N 2.91Å; R329-S332 PolarHBondContact O-OG 3.07Å; T330-S332 PolarHBondContact O-N 2.84Å; S332-R393 PolarHBondContact O-NH1 2.83Å; S332-R393 PolarHBondContact O-NH2 3.02Å
333	K	98.4	Very high	97.5	Very high	113 Å²	113	31.1 Å²	31.1	49%	0.491	16%	0.164	S	C	.	.	P	Polyproline II helix	trans	-84.1	133.7	-178.9	-69	179.3	176.9	-175.6	0	111	E306 P328	E306-K333 HydrophobicContact CB-CB 4.47Å; E306-K333 HydrophobicContact CB-CD 3.7Å; E306-K333 HydrophobicContact CG-CD 4.33Å; E306-K333 IonicContact OE2-NZ 2.77Å; E306-K333 PolarHBondContact OE2-NZ 2.74Å; P328-K333 WeakPolarHBondContact CB-O 3.35Å
334	N	98.6	Very high	97.6	Very high	14 Å²	14	29.6 Å²	29.6	8%	0.075	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-77.4	164.9	163	-76	-56.8	0	0	0	111.4	E372 Y373 T785	N334-E372 HydrophobicContact CB-CG 4.38Å; N334-E372 WeakPolarHBondContact CB-OE1 3.3Å; N334-E372 WeakPolarHBondContact ND2-CG 3.44Å; N334-E372 PolarHBondContact ND2-OE1 2.95Å; N334-Y373 WeakPolarHBondContact ND2-CE1 3.35Å; N334-Y373 PolarHBondContact ND2-OH 3.39Å; N334-T785 PolarHBondContact OD1-OG1 2.95Å
335	P	97.7	Very high	97.7	Very high	20 Å²	20	32.1 Å²	32.1	13%	0.13	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-56.3	147.4	170.2	-20.5	28.7	0	0	0	112.9	T266 V302 D303 E304 V307	T266-P335 HydrophobicContact CG2-CB 4.34Å; T266-P335 HydrophobicContact CG2-CG 3.94Å; V302-P335 HydrophobicContact CG1-CB 3.42Å; V302-P335 VanDerWaalsContact CG1-CB 3.42Å; V302-P335 HydrophobicContact CG1-CG 4.34Å; D303-P335 WeakPolarHBondContact O-CA 3.28Å; E304-P335 HydrophobicContact CG-CB 3.99Å; E304-P335 HydrophobicContact CG-CG 3.98Å; V307-P335 HydrophobicContact CG2-CB 4.26Å; V307-P335 HydrophobicContact CG2-CG 3.84Å
336	Q	97.1	Very high	97.6	Very high	137 Å²	137	31 Å²	31	64%	0.64	16%	0.158	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	126.8	166.7	-65.6	-173.8	-3.7	0	0	109.1	V302 D303	V302-Q336 CarbonylContact C-O 3.52Å; V302-Q336 WeakPolarHBondContact CA-O 3.32Å; D303-Q336 HydrophobicContact CB-CB 4.45Å; D303-Q336 PolarHBondContact N-O 2.73Å; D303-Q336 PolarHBondContact O-N 2.92Å
337	A	96.4	Very high	97.4	Very high	35 Å²	35	31.7 Å²	31.7	29%	0.289	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.9	-179.5	0	0	0	0	0	111.5	E300 E301 V302	E300-A337 HydrophobicContact CG-CB 4.27Å; E301-A337 WeakPolarHBondContact O-CA 3.05Å; V302-A337 HydrophobicContact CG2-CB 4.43Å
338	T	97.8	Very high	96.9	Very high	35 Å²	35	38 Å²	38	22%	0.215	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	149.4	171.1	-174.9	0	0	0	0	110.5	E300 E301 K340 F364	E300-T338 WeakPolarHBondContact CA-O 3.4Å; E301-T338 HydrophobicContact CB-CG2 4.09Å; E301-T338 PolarHBondContact N-O 2.84Å; E301-T338 PolarHBondContact O-N 3.27Å; T338-K340 HydrophobicContact CG2-CG 4.39Å; T338-F364 WeakPolarHBondContact OG1-CB 3.37Å
339	L	98.1	Very high	96.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	141.6	169	-79	171.8	0	0	0	111	W280 L298 F364 M374 A388 L403 F408	W280-L339 HydrophobicContact CZ3-CD2 4.12Å; L298-L339 HydrophobicContact CD1-CB 4.48Å; L298-L339 HydrophobicContact CD1-CD2 4.11Å; L298-L339 HydrophobicContact CD2-CD2 4.28Å; L298-L339 HydrophobicContact CG-CD2 4.04Å; L339-F364 HydrophobicContact CD1-CE2 4.43Å; L339-M374 HydrophobicContact CD1-SD 3.73Å; L339-M374 HydrophobicContact CD2-CE 3.66Å; L339-M374 HydrophobicContact CD2-SD 3.56Å; L339-M374 VanDerWaalsContact CD2-SD 3.56Å; L339-M374 HydrophobicContact CG-CE 4.01Å; L339-M374 HydrophobicContact CG-SD 3.64Å; L339-A388 HydrophobicContact CD1-CB 4.01Å; L339-L403 HydrophobicContact CD1-CD1 3.37Å; L339-F408 HydrophobicContact CB-CE1 4.38Å
340	K	98.6	Very high	95.8	Very high	18 Å²	18	40.3 Å²	40.3	8%	0.078	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	164.9	176.9	-72.2	-168	172.9	-174.6	0	110.6	L298 Y299 E301 T338 K358 I411	L298-K340 WeakPolarHBondContact CD1-O 3.23Å; Y299-K340 HydrophobicContact CD1-CB 4.08Å; Y299-K340 HydrophobicContact CD2-CB 4.32Å; Y299-K340 HydrophobicContact CE1-CB 3.48Å; Y299-K340 VanDerWaalsContact CE1-CB 3.48Å; Y299-K340 HydrophobicContact CE2-CB 3.76Å; Y299-K340 HydrophobicContact CE2-CD 4.03Å; Y299-K340 HydrophobicContact CE2-CG 4.41Å; Y299-K340 HydrophobicContact CG-CB 4.46Å; Y299-K340 PolarHBondContact N-O 3.37Å; Y299-K340 PolarHBondContact O-N 3.32Å; Y299-K340 WeakPolarHBondContact OH-CB 3.3Å; Y299-K340 WeakPolarHBondContact OH-CD 3.32Å; E301-K340 HydrophobicContact CB-CD 4.11Å; E301-K340 WeakPolarHBondContact OE1-CE 3.3Å; E301-K340 IonicContact OE1-NZ 2.74Å; E301-K340 PolarHBondContact OE1-NZ 3.03Å; E301-K340 WeakPolarHBondContact OE2-CE 3.29Å; E301-K340 IonicContact OE2-NZ 3.11Å; E301-K340 PolarHBondContact OE2-NZ 3.03Å; T338-K340 HydrophobicContact CG2-CG 4.39Å; K340-K358 WeakPolarHBondContact CA-O 3.35Å; K340-K358 WeakPolarHBondContact CB-O 3.3Å; K340-I411 HydrophobicContact CD-CD1 4.28Å
341	L	98.6	Very high	95.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	121.2	-177	-171.6	73.3	0	0	0	110.5	H296 L298 K358 W379 P405 F408	H296-L341 HydrophobicContact CB-CD1 4.16Å; L298-L341 HydrophobicContact CB-CD1 4.33Å; L298-L341 HydrophobicContact CD1-CD1 4.44Å; L341-K358 HydrophobicContact CB-CB 4.28Å; L341-K358 HydrophobicContact CD2-CD 4.48Å; L341-K358 PolarHBondContact N-O 3.41Å; L341-K358 VanDerWaalsContact O-CB 3.28Å; L341-K358 WeakPolarHBondContact O-CB 3.35Å; L341-K358 PolarHBondContact O-N 3.31Å; L341-W379 HydrophobicContact CD1-CH2 3.8Å; L341-W379 HydrophobicContact CD1-CZ2 3.61Å; L341-P405 HydrophobicContact CD2-CB 4.11Å; L341-F408 HydrophobicContact CB-CB 3.91Å; L341-F408 HydrophobicContact CB-CD1 3.76Å; L341-F408 HydrophobicContact CB-CD2 4.21Å; L341-F408 HydrophobicContact CB-CE1 4.3Å; L341-F408 HydrophobicContact CB-CG 3.7Å; L341-F408 HydrophobicContact CD2-CB 4.08Å; L341-F408 HydrophobicContact CD2-CD2 4.11Å; L341-F408 HydrophobicContact CD2-CG 4.19Å
342	A	98.3	Very high	95.4	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.033	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.4	168.9	0	0	0	0	0	109.9	L245 H296 L297 Y299 I344	L245-A342 HydrophobicContact CD1-CB 4.1Å; H296-A342 WeakPolarHBondContact CA-O 3.44Å; L297-A342 HydrophobicContact CB-CB 4.39Å; L297-A342 PolarHBondContact N-O 2.86Å; L297-A342 PolarHBondContact O-N 3.02Å; Y299-A342 HydrophobicContact CD1-CB 4.45Å; Y299-A342 HydrophobicContact CE1-CB 4.25Å; A342-I344 HydrophobicContact CB-CD1 4.32Å
343	E	97.6	Very high	95.3	Very high	30 Å²	30	48.9 Å²	48.9	14%	0.14	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.1	173	-178.6	173.4	107.8	0	0	110.4	T294 H296 K345 T355 Q356 K358	T294-E343 HydrophobicContact CG2-CG 3.57Å; H296-E343 IonicContact CD2-OE2 2.82Å; H296-E343 IonicContact NE2-OE2 3.8Å; H296-E343 PolarHBondContact NE2-OE2 3.44Å; H296-E343 VanDerWaalsContact NE2-OE2 3.11Å; E343-K345 VanDerWaalsContact OE1-CE 3.31Å; E343-K345 WeakPolarHBondContact OE1-CE 3.22Å; E343-T355 CarbonylContact O-C 3.56Å; E343-T355 VanDerWaalsContact O-CA 3.32Å; E343-T355 WeakPolarHBondContact O-CA 3.47Å; E343-Q356 HydrophobicContact CB-CB 4.38Å; E343-Q356 PolarHBondContact N-O 3.46Å; E343-Q356 PolarHBondContact O-N 2.94Å; E343-K358 IonicContact OE1-NZ 2.58Å; E343-K358 IonicContact OE2-NZ 2.74Å; E343-K358 PolarHBondContact OE2-NZ 2.79Å
344	I	96.9	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.6	-176.3	-53.2	96.4	0	0	0	108.8	I234 L245 W281 T294 L295 L297 A342 T346 I352 T355	I234-I344 HydrophobicContact CD1-CG1 4.12Å; I234-I344 HydrophobicContact CD1-CG2 3.77Å; L245-I344 HydrophobicContact CD1-CD1 4.19Å; L245-I344 HydrophobicContact CD1-CG1 4.35Å; L245-I344 HydrophobicContact CD2-CG1 4.08Å; W281-I344 HydrophobicContact CH2-CD1 4.43Å; W281-I344 HydrophobicContact CZ3-CD1 4.21Å; T294-I344 WeakPolarHBondContact CA-O 3.27Å; L295-I344 HydrophobicContact CB-CB 4.27Å; L295-I344 PolarHBondContact N-O 3.49Å; L295-I344 PolarHBondContact O-N 3.44Å; L297-I344 HydrophobicContact CB-CD1 4.4Å; A342-I344 HydrophobicContact CB-CD1 4.32Å; I344-T346 HydrophobicContact CG2-CG2 4.27Å; I344-I352 HydrophobicContact CG2-CG2 3.91Å; I344-T355 HydrophobicContact CG1-CG2 4.22Å; I344-T355 HydrophobicContact CG2-CG2 4.19Å
345	K	95.9	Very high	95	Very high	78 Å²	78	47.5 Å²	47.5	34%	0.339	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	132.5	175.8	-63.9	-169.4	173.7	-178	0	110.6	E343 I353 S354	E343-K345 VanDerWaalsContact OE1-CE 3.31Å; E343-K345 WeakPolarHBondContact OE1-CE 3.22Å; K345-I353 HydrophobicContact CB-CB 4.47Å; K345-I353 PolarHBondContact O-N 3.13Å; K345-S354 PolarHBondContact N-O 2.67Å; K345-S354 PolarHBondContact O-N 3.39Å
346	T	94.7	Very high	95	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	146.7	-177.3	60.4	0	0	0	0	110.3	F223 G292 K293 L295 I344 K351	F223-T346 HydrophobicContact CE1-CG2 4.42Å; F223-T346 HydrophobicContact CE2-CG2 3.74Å; F223-T346 HydrophobicContact CZ-CG2 3.52Å; G292-T346 CarbonylContact C-O 3.55Å; G292-T346 WeakPolarHBondContact CA-O 3.49Å; K293-T346 PolarHBondContact N-O 3.03Å; K293-T346 PolarHBondContact O-N 2.93Å; K293-T346 PolarHBondContact O-OG1 3.33Å; L295-T346 HydrophobicContact CD1-CG2 4.42Å; I344-T346 HydrophobicContact CG2-CG2 4.27Å; T346-K351 CarbonylContact C-O 3.48Å; T346-K351 VanDerWaalsContact CA-O 3.22Å; T346-K351 WeakPolarHBondContact CA-O 3.35Å
347	D	92.1	Very high	95	Very high	36 Å²	36	45.3 Å²	45.3	19%	0.193	23%	0.231	C	C	.	.			trans	-79	176.7	171.3	68.9	15.4	0	0	0	111.5	Q349 G350 K351 I353	D347-Q349 PolarHBondContact O-N 3.23Å; D347-Q349 WeakPolarHBondContact OD1-CA 3.27Å; D347-Q349 WeakPolarHBondContact OD1-CB 3.43Å; D347-Q349 PolarHBondContact OD1-N 2.82Å; D347-G350 PolarHBondContact O-N 3Å; D347-G350 PolarHBondContact OD1-N 2.99Å; D347-K351 PolarHBondContact N-O 3.12Å; D347-K351 WeakPolarHBondContact OD1-CB 3.44Å; D347-K351 PolarHBondContact OD1-N 2.7Å; D347-K351 WeakPolarHBondContact OD2-CB 3.5Å; D347-I353 HydrophobicContact CB-CD1 3.87Å; D347-I353 HydrophobicContact CB-CG1 4.07Å
348	H	88	Confident	95.1	Very high	137 Å²	137	45 Å²	45	63%	0.634	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-15	177	65.8	-82.7	0	0	0	114.4
349	Q	86.7	Confident	95.1	Very high	143 Å²	143	45.8 Å²	45.8	67%	0.668	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-2.2	176.9	-55	-175.7	6.5	0	0	112.2	D347	D347-Q349 PolarHBondContact O-N 3.23Å; D347-Q349 WeakPolarHBondContact OD1-CA 3.27Å; D347-Q349 WeakPolarHBondContact OD1-CB 3.43Å; D347-Q349 PolarHBondContact OD1-N 2.82Å
350	G	86.8	Confident	95.1	Very high	2 Å²	2	46 Å²	46	2%	0.021	23%	0.226	C	C	.	.	S	Bend	trans	77.1	21.7	-177.3	0	0	0	0	0	113.6	F223 N236 D347	F223-G350 WeakPolarHBondContact CZ-O 3.39Å; N236-G350 PolarHBondContact ND2-O 2.83Å; D347-G350 PolarHBondContact O-N 3Å; D347-G350 PolarHBondContact OD1-N 2.99Å
351	K	92.8	Very high	95	Very high	125 Å²	125	45.3 Å²	45.3	54%	0.543	22%	0.223	S	C	.	.			trans	-83	139.6	169.8	-175.7	-174.6	176	-175.5	0	109.8	T346 D347 I353	T346-K351 CarbonylContact C-O 3.48Å; T346-K351 VanDerWaalsContact CA-O 3.22Å; T346-K351 WeakPolarHBondContact CA-O 3.35Å; D347-K351 PolarHBondContact N-O 3.12Å; D347-K351 WeakPolarHBondContact OD1-CB 3.44Å; D347-K351 PolarHBondContact OD1-N 2.7Å; D347-K351 WeakPolarHBondContact OD2-CB 3.5Å; K351-I353 PolarHBondContact O-N 3.43Å
352	I	95	Very high	94.8	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	112.6	180	-51	163.8	0	0	0	110.1	F223 I234 E241 R243 I344 T355	F223-I352 HydrophobicContact CE1-CD1 4.07Å; F223-I352 HydrophobicContact CE1-CG1 3.71Å; F223-I352 HydrophobicContact CZ-CG1 4.1Å; I234-I352 HydrophobicContact CD1-CD1 3.59Å; I234-I352 HydrophobicContact CD1-CG1 4.35Å; I234-I352 HydrophobicContact CG1-CD1 4.22Å; E241-I352 HydrophobicContact CG-CD1 4.08Å; E241-I352 PolarHBondContact OE2-N 2.73Å; R243-I352 HydrophobicContact CB-CD1 3.84Å; R243-I352 VanDerWaalsContact CZ-CG2 3.41Å; R243-I352 VanDerWaalsContact NH1-CG2 3.28Å; R243-I352 PolarHBondContact NH2-O 2.89Å; I344-I352 HydrophobicContact CG2-CG2 3.91Å; I352-T355 HydrophobicContact CG2-CG2 3.85Å
353	I	94.8	Very high	94.7	Very high	96 Å²	96	49.8 Å²	49.8	49%	0.492	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-53.5	176.9	-56.5	174.2	0	0	0	109.6	K345 D347 K351	K345-I353 HydrophobicContact CB-CB 4.47Å; K345-I353 PolarHBondContact O-N 3.13Å; D347-I353 HydrophobicContact CB-CD1 3.87Å; D347-I353 HydrophobicContact CB-CG1 4.07Å; K351-I353 PolarHBondContact O-N 3.43Å
354	S	95.3	Very high	94.6	Very high	48 Å²	48	49.2 Å²	49.2	34%	0.336	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	153.6	-177	62.9	0	0	0	0	111.6	K345	K345-S354 PolarHBondContact N-O 2.67Å; K345-S354 PolarHBondContact O-N 3.39Å
355	T	96.8	Very high	94.5	Very high	51 Å²	51	53.3 Å²	53.3	31%	0.313	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.2	171.8	48.4	0	0	0	0	108.1	R243 L245 E343 I344 I352	R243-T355 HydrophobicContact CG-CG2 4.41Å; L245-T355 HydrophobicContact CD2-CG2 3.55Å; E343-T355 CarbonylContact O-C 3.56Å; E343-T355 VanDerWaalsContact O-CA 3.32Å; E343-T355 WeakPolarHBondContact O-CA 3.47Å; I344-T355 HydrophobicContact CG1-CG2 4.22Å; I344-T355 HydrophobicContact CG2-CG2 4.19Å; I352-T355 HydrophobicContact CG2-CG2 3.85Å
356	Q	96.9	Very high	94.5	Very high	73 Å²	73	51.9 Å²	51.9	34%	0.341	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.2	-179.9	-179	63.2	64.4	0	0	109.1	E343 K358 P410	E343-Q356 HydrophobicContact CB-CB 4.38Å; E343-Q356 PolarHBondContact N-O 3.46Å; E343-Q356 PolarHBondContact O-N 2.94Å; Q356-K358 HydrophobicContact CG-CG 4.13Å; Q356-P410 HydrophobicContact CG-CB 4.18Å; Q356-P410 HydrophobicContact CG-CG 4.35Å
357	D	97.6	Very high	94.5	Very high	37 Å²	37	52 Å²	52	20%	0.198	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	139.6	169.7	-165.8	25.7	0	0	0	110	Y299 I411	Y299-D357 WeakPolarHBondContact CE1-OD1 3.35Å; Y299-D357 PolarHBondContact OH-OD1 2.95Å; Y299-D357 PolarHBondContact OH-OD2 2.9Å; D357-I411 HydrophobicContact CB-CD1 4.28Å; D357-I411 PolarHBondContact O-N 2.85Å; D357-I411 VanDerWaalsContact O-N 3.12Å; D357-I411 WeakPolarHBondContact OD2-CD1 3.39Å
358	K	98.3	Very high	94.7	Very high	30 Å²	30	50.4 Å²	50.4	13%	0.13	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.9	-174.9	-58.2	-180	166.3	-177.5	0	111.6	K340 L341 E343 Q356 F408 I409	K340-K358 WeakPolarHBondContact CA-O 3.35Å; K340-K358 WeakPolarHBondContact CB-O 3.3Å; L341-K358 HydrophobicContact CB-CB 4.28Å; L341-K358 HydrophobicContact CD2-CD 4.48Å; L341-K358 PolarHBondContact N-O 3.41Å; L341-K358 VanDerWaalsContact O-CB 3.28Å; L341-K358 WeakPolarHBondContact O-CB 3.35Å; L341-K358 PolarHBondContact O-N 3.31Å; E343-K358 IonicContact OE1-NZ 2.58Å; E343-K358 IonicContact OE2-NZ 2.74Å; E343-K358 PolarHBondContact OE2-NZ 2.79Å; Q356-K358 HydrophobicContact CG-CG 4.13Å; K358-F408 HydrophobicContact CB-CB 3.81Å; K358-F408 HydrophobicContact CD-CB 4.41Å; K358-I409 CarbonylContact C-O 3.47Å; K358-I409 WeakPolarHBondContact CA-O 3.48Å; K358-I409 VanDerWaalsContact CB-O 3.31Å; K358-I409 WeakPolarHBondContact CB-O 3.11Å
359	E	97.8	Very high	94.9	Very high	50 Å²	50	46 Å²	46	23%	0.234	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	159.9	176.7	64	178.6	-154.6	0	0	111.3	F408 I409 I411 R418	E359-F408 CarbonylContact O-C 3.45Å; E359-F408 WeakPolarHBondContact O-CA 3.2Å; E359-I409 HydrophobicContact CG-CG1 4.33Å; E359-I409 PolarHBondContact N-O 3.43Å; E359-I409 PolarHBondContact O-N 3.14Å; E359-I411 HydrophobicContact CB-CD1 4.18Å; E359-I411 HydrophobicContact CB-CG1 3.85Å; E359-I411 HydrophobicContact CG-CG1 3.87Å; E359-R418 IonicContact OE1-CZ 3.71Å; E359-R418 VanDerWaalsContact OE1-CZ 3.32Å; E359-R418 IonicContact OE1-NE 2.8Å; E359-R418 PolarHBondContact OE1-NE 2.96Å; E359-R418 VanDerWaalsContact OE1-NE 3.09Å; E359-R418 IonicContact OE1-NH2 2.76Å; E359-R418 PolarHBondContact OE1-NH2 3.12Å
360	L	97.8	Very high	95.2	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	144.1	171.9	-70.3	163.7	0	0	0	110.6	V362 F364 L367 L407 F408	L360-V362 VanDerWaalsContact CB-O 3.23Å; L360-V362 WeakPolarHBondContact CB-O 3.44Å; L360-V362 PolarHBondContact O-N 3.07Å; L360-F364 HydrophobicContact CD1-CB 4.03Å; L360-F364 HydrophobicContact CD1-CD2 3.87Å; L360-F364 HydrophobicContact CD1-CG 4.47Å; L360-L367 HydrophobicContact CB-CD1 4.46Å; L360-L367 HydrophobicContact CD1-CD1 4.27Å; L360-L367 HydrophobicContact CD2-CD1 4.35Å; L360-L407 HydrophobicContact CD2-CD2 3.76Å; L360-L407 HydrophobicContact CD2-CG 3.98Å; L360-F408 HydrophobicContact CD2-CD1 3.98Å; L360-F408 HydrophobicContact CD2-CE1 3.55Å; L360-F408 HydrophobicContact CD2-CE2 4.23Å; L360-F408 HydrophobicContact CD2-CG 4.5Å; L360-F408 HydrophobicContact CD2-CZ 3.69Å; L360-F408 HydrophobicContact CG-CD1 4.15Å; L360-F408 HydrophobicContact CG-CE1 3.79Å; L360-F408 HydrophobicContact CG-CZ 4.4Å
361	V	96.8	Very high	95.6	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	25%	0.254	C	S	.	.	S	Bend	trans	-48	-37.5	177.4	-74.7	0	0	0	0	113.4	L407 I409 R418 L422 V425 W489	V361-L407 WeakPolarHBondContact CG1-O 3.47Å; V361-L407 HydrophobicContact CG2-CD1 3.58Å; V361-L407 HydrophobicContact CG2-CG 4.14Å; V361-L407 PolarHBondContact N-O 2.86Å; V361-I409 HydrophobicContact CG1-CG2 3.89Å; V361-R418 PolarHBondContact O-NH2 3.2Å; V361-L422 HydrophobicContact CB-CD2 3.93Å; V361-L422 HydrophobicContact CG1-CD2 4.08Å; V361-V425 HydrophobicContact CG1-CG1 4.38Å; V361-V425 HydrophobicContact CG1-CG2 3.76Å; V361-W489 HydrophobicContact CB-CB 4.21Å; V361-W489 HydrophobicContact CB-CD2 4.27Å; V361-W489 HydrophobicContact CB-CE3 4.43Å; V361-W489 HydrophobicContact CB-CG 4.19Å; V361-W489 HydrophobicContact CG1-CB 4.34Å; V361-W489 HydrophobicContact CG1-CG 4.29Å; V361-W489 HydrophobicContact CG2-CD2 3.63Å; V361-W489 HydrophobicContact CG2-CE3 3.69Å; V361-W489 HydrophobicContact CG2-CG 4.02Å; V361-W489 HydrophobicContact CG2-CZ2 4.48Å; V361-W489 HydrophobicContact CG2-CZ3 4.15Å
362	V	95.1	Very high	95.9	Very high	17 Å²	17	45 Å²	45	10%	0.103	24%	0.242	C	C	.	.	S	Bend	trans	-131.7	156.3	173.7	-68.3	0	0	0	0	109.9	L360 L367 W489 Y493	L360-V362 VanDerWaalsContact CB-O 3.23Å; L360-V362 WeakPolarHBondContact CB-O 3.44Å; L360-V362 PolarHBondContact O-N 3.07Å; V362-L367 HydrophobicContact CG2-CD1 3.87Å; V362-L367 HydrophobicContact CG2-CD2 3.35Å; V362-L367 HydrophobicContact CG2-CG 3.41Å; V362-L367 VanDerWaalsContact CG2-CG 3.41Å; V362-W489 HydrophobicContact CG1-CE3 4.13Å; V362-W489 HydrophobicContact CG1-CZ3 4.39Å; V362-W489 HydrophobicContact CG2-CE3 4.26Å; V362-W489 HydrophobicContact CG2-CZ3 3.83Å; V362-Y493 HydrophobicContact CG2-CD1 4.35Å
363	P	95.6	Very high	96	Very high	80 Å²	80	45.2 Å²	45.2	52%	0.519	24%	0.242	S	C	.	.			trans	-54.8	142.2	-177.9	-27	35	0	0	0	113.5	S365 T366 L367	P363-S365 VanDerWaalsContact C-N 3.3Å; P363-S365 PolarHBondContact O-N 3.18Å; P363-T366 WeakPolarHBondContact O-CA 3.28Å; P363-T366 WeakPolarHBondContact O-CB 3.29Å; P363-T366 PolarHBondContact O-N 2.74Å; P363-L367 PolarHBondContact O-N 3.48Å
364	F	95.8	Very high	96.2	Very high	19 Å²	19	41 Å²	41	8%	0.083	22%	0.221	C	C	.	.	H	α-helix	trans	-54.7	-43.7	-178.3	-178.6	-92.4	0	0	0	112.8	T338 L339 L360 T366 L367 F368 T371 L390	T338-F364 WeakPolarHBondContact OG1-CB 3.37Å; L339-F364 HydrophobicContact CD1-CE2 4.43Å; L360-F364 HydrophobicContact CD1-CB 4.03Å; L360-F364 HydrophobicContact CD1-CD2 3.87Å; L360-F364 HydrophobicContact CD1-CG 4.47Å; F364-T366 PolarHBondContact O-N 3.21Å; F364-L367 PolarHBondContact O-N 3.14Å; F364-F368 AromaticContact CD2-CD2 3.85Å; F364-F368 HydrophobicContact CD2-CD2 3.85Å; F364-F368 HydrophobicContact CD2-CE2 4.27Å; F364-F368 AromaticContact CE2-CD2 3.57Å; F364-F368 HydrophobicContact CE2-CD2 3.57Å; F364-F368 HydrophobicContact CE2-CE2 4.02Å; F364-F368 HydrophobicContact CG-CD2 4.45Å; F364-F368 HydrophobicContact CZ-CB 4.47Å; F364-F368 AromaticContact CZ-CD2 3.94Å; F364-F368 HydrophobicContact CZ-CD2 3.94Å; F364-F368 PolarHBondContact O-N 2.87Å; F364-T371 HydrophobicContact CE1-CG2 3.9Å; F364-T371 HydrophobicContact CZ-CG2 4.14Å; F364-L390 HydrophobicContact CE2-CD2 4.45Å; F364-L390 HydrophobicContact CZ-CD1 4.02Å; F364-L390 HydrophobicContact CZ-CD2 3.82Å
365	S	94.7	Very high	96.3	Very high	85 Å²	85	38.8 Å²	38.8	59%	0.594	21%	0.205	S	C	*	.	H	α-helix	trans	-62.5	-22.3	177.3	56.9	0	0	0	0	113.8	P363 P369	P363-S365 VanDerWaalsContact C-N 3.3Å; P363-S365 PolarHBondContact O-N 3.18Å; S365-P369 WeakPolarHBondContact O-CA 3.47Å
366	T	95.1	Very high	96.4	Very high	49 Å²	49	37.5 Å²	37.5	30%	0.301	20%	0.195	S	C	.	.	H	α-helix	trans	-84.5	-38.8	176	-52	0	0	0	0	111.2	P363 F364 Y493 H495	P363-T366 WeakPolarHBondContact O-CA 3.28Å; P363-T366 WeakPolarHBondContact O-CB 3.29Å; P363-T366 PolarHBondContact O-N 2.74Å; F364-T366 PolarHBondContact O-N 3.21Å; T366-Y493 HydrophobicContact CG2-CD1 3.9Å; T366-Y493 HydrophobicContact CG2-CE1 4.29Å; T366-H495 PolarHBondContact O-ND1 3.28Å
367	L	94.8	Very high	96.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-46.2	174.9	-71.9	173	0	0	0	111.5	L360 V362 P363 F364 P369 P431 W489 Y493 H495 F500	L360-L367 HydrophobicContact CB-CD1 4.46Å; L360-L367 HydrophobicContact CD1-CD1 4.27Å; L360-L367 HydrophobicContact CD2-CD1 4.35Å; V362-L367 HydrophobicContact CG2-CD1 3.87Å; V362-L367 HydrophobicContact CG2-CD2 3.35Å; V362-L367 HydrophobicContact CG2-CG 3.41Å; V362-L367 VanDerWaalsContact CG2-CG 3.41Å; P363-L367 PolarHBondContact O-N 3.48Å; F364-L367 PolarHBondContact O-N 3.14Å; L367-P369 VanDerWaalsContact C-CD 3.46Å; L367-P369 WeakPolarHBondContact O-CD 3.23Å; L367-P431 HydrophobicContact CD2-CG 4.41Å; L367-W489 HydrophobicContact CD2-CH2 3.95Å; L367-W489 HydrophobicContact CD2-CZ3 4.1Å; L367-Y493 HydrophobicContact CD2-CE1 4.28Å; L367-H495 PolarHBondContact O-CE1 3.01Å; L367-H495 PolarHBondContact O-ND1 2.81Å; L367-F500 HydrophobicContact CD2-CE2 3.98Å; L367-F500 HydrophobicContact CD2-CZ 4.03Å
368	F	95.6	Very high	96.5	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.018	18%	0.175	C	C	.	.	S	Bend	trans	-123.8	66.5	-173.8	-50.4	-71	0	0	0	111.2	F364 T371 L390 V401 L403 P431 I433	F364-F368 AromaticContact CD2-CD2 3.85Å; F364-F368 HydrophobicContact CD2-CD2 3.85Å; F364-F368 HydrophobicContact CD2-CE2 4.27Å; F364-F368 AromaticContact CE2-CD2 3.57Å; F364-F368 HydrophobicContact CE2-CD2 3.57Å; F364-F368 HydrophobicContact CE2-CE2 4.02Å; F364-F368 HydrophobicContact CG-CD2 4.45Å; F364-F368 HydrophobicContact CZ-CB 4.47Å; F364-F368 AromaticContact CZ-CD2 3.94Å; F364-F368 HydrophobicContact CZ-CD2 3.94Å; F364-F368 PolarHBondContact O-N 2.87Å; F368-T371 WeakPolarHBondContact CB-OG1 3.27Å; F368-T371 VanDerWaalsContact O-CB 3.28Å; F368-T371 WeakPolarHBondContact O-CB 3.49Å; F368-T371 PolarHBondContact O-N 3.24Å; F368-T371 PolarHBondContact O-OG1 2.84Å; F368-L390 HydrophobicContact CB-CD1 3.96Å; F368-L390 HydrophobicContact CD1-CD1 3.88Å; F368-L390 HydrophobicContact CD2-CD1 3.99Å; F368-L390 HydrophobicContact CE1-CD1 4.4Å; F368-L390 HydrophobicContact CE2-CD1 4.49Å; F368-L390 HydrophobicContact CG-CD1 3.66Å; F368-V401 HydrophobicContact CE1-CG1 3.75Å; F368-V401 HydrophobicContact CE1-CG2 4.14Å; F368-V401 HydrophobicContact CZ-CG1 3.7Å; F368-L403 HydrophobicContact CE2-CD2 4.2Å; F368-L403 HydrophobicContact CZ-CD2 4Å; F368-P431 HydrophobicContact CE1-CB 4.18Å; F368-P431 HydrophobicContact CE1-CG 4.41Å; F368-P431 HydrophobicContact CZ-CB 3.65Å; F368-P431 HydrophobicContact CZ-CG 4.02Å; F368-I433 HydrophobicContact CE1-CG1 4.47Å
369	P	93.2	Very high	96.5	Very high	44 Å²	44	32.7 Å²	32.7	29%	0.286	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	146.7	179.2	30.2	-36.4	0	0	0	110.1	S365 L367 T371 H495	S365-P369 WeakPolarHBondContact O-CA 3.47Å; L367-P369 VanDerWaalsContact C-CD 3.46Å; L367-P369 WeakPolarHBondContact O-CD 3.23Å; P369-T371 PolarHBondContact O-N 2.96Å; P369-H495 WeakPolarHBondContact CD-CE1 3.45Å; P369-H495 WeakPolarHBondContact CD-ND1 3.48Å; P369-H495 HydrophobicContact CG-CB 4.47Å; P369-H495 WeakPolarHBondContact CG-CE1 3.48Å; P369-H495 VanDerWaalsContact CG-ND1 3.29Å; P369-H495 WeakPolarHBondContact CG-ND1 3.34Å
370	R	91.9	Very high	96.5	Very high	161 Å²	161	30.4 Å²	30.4	61%	0.608	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	-1.8	-174.6	-49.7	179.1	-79.4	-165.8	-7.7	115.3	E372 D392 E497	R370-E372 PolarHBondContact O-N 2.98Å; R370-D392 VanDerWaalsContact O-CA 3.32Å; R370-D392 WeakPolarHBondContact O-CA 3.41Å; R370-E497 IonicContact CZ-OE1 3.75Å; R370-E497 IonicContact NH1-OE1 3.51Å; R370-E497 IonicContact NH2-OE1 3.27Å; R370-E497 PolarHBondContact NH2-OE1 3.32Å
371	T	96.6	Very high	96.2	Very high	28 Å²	28	34 Å²	34	17%	0.172	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	126.4	168.4	-58.4	0	0	0	0	109.4	F364 F368 P369 L390	F364-T371 HydrophobicContact CE1-CG2 3.9Å; F364-T371 HydrophobicContact CZ-CG2 4.14Å; F368-T371 WeakPolarHBondContact CB-OG1 3.27Å; F368-T371 VanDerWaalsContact O-CB 3.28Å; F368-T371 WeakPolarHBondContact O-CB 3.49Å; F368-T371 PolarHBondContact O-N 3.24Å; F368-T371 PolarHBondContact O-OG1 2.84Å; P369-T371 PolarHBondContact O-N 2.96Å; T371-L390 HydrophobicContact CG2-CB 3.77Å; T371-L390 HydrophobicContact CG2-CD1 4.3Å; T371-L390 HydrophobicContact CG2-CD2 4.15Å; T371-L390 HydrophobicContact CG2-CG 4.28Å
372	E	98.1	Very high	96	Very high	60 Å²	60	36.6 Å²	36.6	28%	0.28	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	-39.6	178.1	-166.4	79	175.9	0	0	111.1	N334 R370 L391 R393	N334-E372 HydrophobicContact CB-CG 4.38Å; N334-E372 WeakPolarHBondContact CB-OE1 3.3Å; N334-E372 WeakPolarHBondContact ND2-CG 3.44Å; N334-E372 PolarHBondContact ND2-OE1 2.95Å; R370-E372 PolarHBondContact O-N 2.98Å; E372-L391 PolarHBondContact N-O 2.91Å; E372-R393 HydrophobicContact CB-CB 3.85Å; E372-R393 HydrophobicContact CG-CB 3.9Å; E372-R393 HydrophobicContact CG-CG 4.08Å; E372-R393 IonicContact OE1-NH1 3.92Å
373	Y	98.6	Very high	96	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.027	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.2	-175.3	-45.7	-77.3	0	0	0	111.6	V268 I269 F273 N334 L391 Q395	V268-Y373 HydrophobicContact CG1-CE1 4.29Å; I269-Y373 HydrophobicContact CD1-CD1 4.3Å; F273-Y373 AromaticContact CE2-CD1 3.78Å; F273-Y373 HydrophobicContact CE2-CD1 3.78Å; F273-Y373 HydrophobicContact CE2-CD2 4.39Å; F273-Y373 HydrophobicContact CE2-CE1 4.14Å; F273-Y373 AromaticContact CE2-CG 3.91Å; F273-Y373 HydrophobicContact CE2-CG 3.91Å; F273-Y373 HydrophobicContact CZ-CD1 4.08Å; F273-Y373 AromaticContact CZ-CD2 3.85Å; F273-Y373 HydrophobicContact CZ-CD2 3.85Å; F273-Y373 HydrophobicContact CZ-CE1 4.44Å; F273-Y373 HydrophobicContact CZ-CE2 4.23Å; F273-Y373 AromaticContact CZ-CG 3.77Å; F273-Y373 HydrophobicContact CZ-CG 3.77Å; N334-Y373 WeakPolarHBondContact ND2-CE1 3.35Å; N334-Y373 PolarHBondContact ND2-OH 3.39Å; Y373-L391 HydrophobicContact CD2-CB 4.23Å; Y373-L391 PolarHBondContact N-O 3.03Å; Y373-L391 VanDerWaalsContact N-O 3.15Å; Y373-L391 PolarHBondContact O-N 3.04Å; Y373-Q395 HydrophobicContact CD2-CG 4.13Å; Y373-Q395 HydrophobicContact CE2-CG 3.92Å
374	M	98.1	Very high	95.9	Very high	9 Å²	9	36.1 Å²	36.1	4%	0.044	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	98.6	162.2	-178.5	165.4	49.4	0	0	109	R275 W280 E300 L339 A377 A388 L390	R275-M374 PolarHBondContact NE-O 3.4Å; R275-M374 PolarHBondContact NH2-O 2.63Å; W280-M374 HydrophobicContact CH2-CE 4.35Å; E300-M374 HydrophobicContact CB-CE 3.48Å; E300-M374 VanDerWaalsContact CB-CE 3.48Å; E300-M374 HydrophobicContact CG-CE 3.29Å; E300-M374 VanDerWaalsContact OE1-CE 3.3Å; E300-M374 WeakPolarHBondContact OE1-CE 3.26Å; L339-M374 HydrophobicContact CD1-SD 3.73Å; L339-M374 HydrophobicContact CD2-CE 3.66Å; L339-M374 HydrophobicContact CD2-SD 3.56Å; L339-M374 VanDerWaalsContact CD2-SD 3.56Å; L339-M374 HydrophobicContact CG-CE 4.01Å; L339-M374 HydrophobicContact CG-SD 3.64Å; M374-A377 HydrophobicContact SD-CB 4.11Å; M374-A388 HydrophobicContact CG-CB 4.47Å; M374-A388 HydrophobicContact SD-CB 4.16Å; M374-L390 HydrophobicContact CB-CD2 4.41Å; M374-L390 HydrophobicContact CG-CD2 4.3Å
375	A	97.7	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	-44.1	-172.4	0	0	0	0	0	112	R275 V389 L391 V445	R275-A375 VanDerWaalsContact CD-O 3.31Å; R275-A375 WeakPolarHBondContact CD-O 3.4Å; A375-V389 HydrophobicContact CB-CB 4.37Å; A375-V389 HydrophobicContact CB-CG1 4.08Å; A375-V389 PolarHBondContact N-O 2.98Å; A375-L391 HydrophobicContact CB-CD1 4.08Å; A375-L391 HydrophobicContact CB-CG 4.37Å; A375-V445 HydrophobicContact CB-CG1 3.88Å; A375-V445 HydrophobicContact CB-CG2 3.9Å
376	R	98.4	Very high	96.2	Very high	25 Å²	25	32 Å²	32	9%	0.094	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	155.7	178.2	-63	-68	179.8	-85.5	5.2	109.7	F273 W387 A388 V389 V445 D447	F273-R376 VanDerWaalsContact O-CZ 3.27Å; F273-R376 PolarHBondContact O-NH1 3.22Å; F273-R376 PolarHBondContact O-NH2 2.95Å; R376-W387 HydrophobicContact CB-CH2 4.06Å; R376-W387 HydrophobicContact CB-CZ3 3.7Å; R376-A388 CarbonylContact O-C 3.41Å; R376-A388 WeakPolarHBondContact O-CA 3.1Å; R376-V389 HydrophobicContact CB-CB 3.99Å; R376-V389 HydrophobicContact CB-CG2 3.91Å; R376-V389 PolarHBondContact O-N 2.82Å; R376-V445 HydrophobicContact CG-CG1 4.35Å; R376-D447 IonicContact CZ-OD1 2.77Å; R376-D447 IonicContact NE-OD1 3.13Å; R376-D447 PolarHBondContact NE-OD1 2.99Å; R376-D447 IonicContact NH2-OD1 2.79Å; R376-D447 PolarHBondContact NH2-OD1 3.41Å
377	A	98.6	Very high	96.3	Very high	7 Å²	7	31.3 Å²	31.3	6%	0.058	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	167.5	168.2	0	0	0	0	0	110.5	W280 M374 W387 A388	W280-A377 VanDerWaalsContact CD1-O 3.29Å; W280-A377 HydrophobicContact CD2-CB 4.01Å; W280-A377 HydrophobicContact CE3-CB 3.9Å; W280-A377 HydrophobicContact CH2-CB 3.62Å; W280-A377 HydrophobicContact CZ2-CB 3.7Å; W280-A377 HydrophobicContact CZ3-CB 3.71Å; W280-A377 PolarHBondContact NE1-O 2.86Å; M374-A377 HydrophobicContact SD-CB 4.11Å; A377-W387 CarbonylContact C-O 3.53Å; A377-W387 WeakPolarHBondContact CA-O 3.13Å; A377-W387 VanDerWaalsContact CB-O 3.25Å; A377-W387 WeakPolarHBondContact CB-O 3.23Å; A377-A388 HydrophobicContact CB-CB 4.24Å
378	G	98.2	Very high	96.5	Very high	6 Å²	6	31.3 Å²	31.3	6%	0.062	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.5	-153	179.3	0	0	0	0	0	112	G386 W387	G378-G386 CarbonylContact O-C 3.53Å; G378-G386 WeakPolarHBondContact O-CA 3.37Å; G378-W387 VanDerWaalsContact C-CD1 3.41Å; G378-W387 VanDerWaalsContact C-NE1 3.27Å; G378-W387 VanDerWaalsContact CA-CE2 3.5Å; G378-W387 PolarHBondContact N-O 2.99Å; G378-W387 PolarHBondContact O-N 2.97Å
379	W	98.2	Very high	96.7	Very high	25 Å²	25	31.2 Å²	31.2	10%	0.095	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	153	178	-70.8	87.9	0	0	0	111.6	W280 W281 P283 H296 L298 L341 G383 Y385 W387 P405	W280-W379 PolarHBondContact O-NE1 2.8Å; W281-W379 VanDerWaalsContact C-CD1 3.49Å; P283-W379 VanDerWaalsContact CD-CB 3.45Å; P283-W379 HydrophobicContact CG-CB 4.28Å; H296-W379 HydrophobicContact CB-CH2 4.07Å; H296-W379 HydrophobicContact CB-CZ2 4.11Å; L298-W379 HydrophobicContact CB-CZ2 3.77Å; L341-W379 HydrophobicContact CD1-CH2 3.8Å; L341-W379 HydrophobicContact CD1-CZ2 3.61Å; W379-G383 WeakPolarHBondContact CZ3-O 3.37Å; W379-Y385 WeakPolarHBondContact CA-O 3.11Å; W379-Y385 VanDerWaalsContact CE3-C 3.48Å; W379-W387 VanDerWaalsContact C-NE1 3.3Å; W379-W387 PolarHBondContact O-NE1 3.25Å; W379-P405 HydrophobicContact CH2-CG 3.99Å; W379-P405 HydrophobicContact CZ3-CG 3.78Å
380	T	97.3	Very high	96.9	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.018	14%	0.136	C	C	.	.			trans	-64.6	154.9	163.4	56.8	0	0	0	0	109.7	P283 D382 G383 K384 Y385 L402 F460	P283-T380 VanDerWaalsContact CG-O 3.23Å; P283-T380 WeakPolarHBondContact CG-O 3.32Å; T380-D382 VanDerWaalsContact CB-OD1 3.29Å; T380-D382 WeakPolarHBondContact CB-OD1 3.38Å; T380-D382 PolarHBondContact O-N 3.35Å; T380-D382 VanDerWaalsContact O-N 3.14Å; T380-D382 PolarHBondContact OG1-OD1 3.44Å; T380-G383 WeakPolarHBondContact O-CA 3.2Å; T380-G383 PolarHBondContact O-N 3.38Å; T380-K384 PolarHBondContact OG1-N 2.87Å; T380-Y385 HydrophobicContact CG2-CD2 4.31Å; T380-Y385 PolarHBondContact N-O 3.1Å; T380-Y385 PolarHBondContact OG1-N 3.1Å; T380-Y385 VanDerWaalsContact OG1-N 3.14Å; T380-Y385 PolarHBondContact OG1-O 2.87Å; T380-L402 HydrophobicContact CG2-CD2 4.22Å; T380-F460 HydrophobicContact CG2-CE2 3.86Å; T380-F460 HydrophobicContact CG2-CZ 3.82Å
381	I	93	Very high	97.3	Very high	80 Å²	80	21.7 Å²	21.7	41%	0.41	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.9	-172.5	-62.6	174.1	0	0	0	112.3	P283 P451	P283-I381 WeakPolarHBondContact CG-O 3.48Å; I381-P451 WeakPolarHBondContact CD1-O 3.39Å; I381-P451 HydrophobicContact CG1-CG 4.39Å
382	D	92.1	Very high	97.3	Very high	58 Å²	58	21.9 Å²	21.9	31%	0.31	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-8.7	176.2	60.5	-0.2	0	0	0	114	S284 T380 K384	S284-D382 WeakPolarHBondContact CB-O 3.34Å; S284-D382 PolarHBondContact OG-O 3.42Å; T380-D382 VanDerWaalsContact CB-OD1 3.29Å; T380-D382 WeakPolarHBondContact CB-OD1 3.38Å; T380-D382 PolarHBondContact O-N 3.35Å; T380-D382 VanDerWaalsContact O-N 3.14Å; T380-D382 PolarHBondContact OG1-OD1 3.44Å; D382-K384 VanDerWaalsContact C-N 3.25Å; D382-K384 PolarHBondContact O-N 2.78Å; D382-K384 WeakPolarHBondContact OD1-CB 3.48Å; D382-K384 PolarHBondContact OD1-N 3.02Å
383	G	94.1	Very high	97.3	Very high	7 Å²	7	22.1 Å²	22.1	7%	0.072	11%	0.105	C	C	.	.	S	Bend	trans	69.8	15.5	-175.3	0	0	0	0	0	114.4	S284 W379 T380 Y385	S284-G383 WeakPolarHBondContact OG-CA 3.28Å; W379-G383 WeakPolarHBondContact CZ3-O 3.37Å; T380-G383 WeakPolarHBondContact O-CA 3.2Å; T380-G383 PolarHBondContact O-N 3.38Å; G383-Y385 VanDerWaalsContact C-N 3.34Å
384	K	94.5	Very high	97.3	Very high	80 Å²	80	23.5 Å²	23.5	35%	0.348	12%	0.116	S	C	.	.	S	Bend	trans	-68.1	-34	179	-172.5	175.4	176	-175.1	0	112.6	T380 D382 P405	T380-K384 PolarHBondContact OG1-N 2.87Å; D382-K384 VanDerWaalsContact C-N 3.25Å; D382-K384 PolarHBondContact O-N 2.78Å; D382-K384 WeakPolarHBondContact OD1-CB 3.48Å; D382-K384 PolarHBondContact OD1-N 3.02Å; K384-P405 WeakPolarHBondContact O-CD 3.42Å
385	Y	97.4	Very high	97.3	Very high	16 Å²	16	23 Å²	23	6%	0.063	11%	0.114	C	C	.	.			trans	-132.8	138	178.5	-54.6	-85	0	0	0	110.7	W379 T380 G383 L402 P404 Y432 L482	W379-Y385 WeakPolarHBondContact CA-O 3.11Å; W379-Y385 VanDerWaalsContact CE3-C 3.48Å; T380-Y385 HydrophobicContact CG2-CD2 4.31Å; T380-Y385 PolarHBondContact N-O 3.1Å; T380-Y385 PolarHBondContact OG1-N 3.1Å; T380-Y385 VanDerWaalsContact OG1-N 3.14Å; T380-Y385 PolarHBondContact OG1-O 2.87Å; G383-Y385 VanDerWaalsContact C-N 3.34Å; Y385-L402 HydrophobicContact CD1-CB 4.14Å; Y385-L402 HydrophobicContact CD2-CD1 4.19Å; Y385-L402 HydrophobicContact CG-CB 4.1Å; Y385-L402 HydrophobicContact CG-CD1 4.28Å; Y385-P404 HydrophobicContact CD1-CB 4.13Å; Y385-P404 HydrophobicContact CD1-CG 3.92Å; Y385-P404 HydrophobicContact CE1-CB 4.21Å; Y385-P404 HydrophobicContact CE1-CG 3.88Å; Y385-Y432 HydrophobicContact CE1-CD2 4.28Å; Y385-Y432 HydrophobicContact CE1-CE2 4.07Å; Y385-L482 HydrophobicContact CE2-CD1 4.32Å
386	G	98.3	Very high	97.4	Very high	1 Å²	1	25 Å²	25	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	154.3	152.3	0	0	0	0	0	108.8	G378 L402 L403	G378-G386 CarbonylContact O-C 3.53Å; G378-G386 WeakPolarHBondContact O-CA 3.37Å; G386-L402 CarbonylContact O-C 3.53Å; G386-L402 WeakPolarHBondContact O-CA 3.46Å; G386-L403 PolarHBondContact N-O 3.26Å; G386-L403 PolarHBondContact O-N 3.24Å
387	W	98.6	Very high	97.4	Very high	35 Å²	35	26.3 Å²	26.3	13%	0.133	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.4	172.9	62.3	-98.1	0	0	0	111.3	R376 A377 G378 W379 V389 L400 V401 L402 F449	R376-W387 HydrophobicContact CB-CH2 4.06Å; R376-W387 HydrophobicContact CB-CZ3 3.7Å; A377-W387 CarbonylContact C-O 3.53Å; A377-W387 WeakPolarHBondContact CA-O 3.13Å; A377-W387 VanDerWaalsContact CB-O 3.25Å; A377-W387 WeakPolarHBondContact CB-O 3.23Å; G378-W387 VanDerWaalsContact C-CD1 3.41Å; G378-W387 VanDerWaalsContact C-NE1 3.27Å; G378-W387 VanDerWaalsContact CA-CE2 3.5Å; G378-W387 PolarHBondContact N-O 2.99Å; G378-W387 PolarHBondContact O-N 2.97Å; W379-W387 VanDerWaalsContact C-NE1 3.3Å; W379-W387 PolarHBondContact O-NE1 3.25Å; W387-V389 HydrophobicContact CE3-CG2 4.37Å; W387-V389 HydrophobicContact CZ3-CG2 4.02Å; W387-L400 HydrophobicContact CE3-CD1 4.13Å; W387-V401 CarbonylContact C-O 3.54Å; W387-V401 WeakPolarHBondContact CA-O 3.46Å; W387-V401 WeakPolarHBondContact CB-O 3.32Å; W387-L402 HydrophobicContact CB-CD2 3.81Å; W387-F449 HydrophobicContact CB-CE1 4.34Å; W387-F449 AromaticContact CD1-CE1 3.61Å; W387-F449 AromaticContact CD2-CD1 3.72Å; W387-F449 HydrophobicContact CD2-CD1 3.72Å; W387-F449 AromaticContact CD2-CE1 3.66Å; W387-F449 HydrophobicContact CD2-CE1 3.66Å; W387-F449 AromaticContact CE2-CD1 3.54Å; W387-F449 AromaticContact CE2-CE1 3.72Å; W387-F449 HydrophobicContact CE3-CD1 4.1Å; W387-F449 HydrophobicContact CE3-CE1 4.32Å; W387-F449 HydrophobicContact CG-CD1 4.2Å; W387-F449 AromaticContact CG-CE1 3.63Å; W387-F449 HydrophobicContact CG-CE1 3.63Å; W387-F449 HydrophobicContact CH2-CD1 4.2Å; W387-F449 AromaticContact CZ2-CD1 3.81Å; W387-F449 HydrophobicContact CZ2-CD1 3.81Å; W387-F449 HydrophobicContact CZ2-CE1 4.45Å; W387-F449 HydrophobicContact CZ3-CD1 4.33Å; W387-F449 AromaticContact NE1-CD1 3.83Å; W387-F449 AromaticContact NE1-CE1 3.62Å
388	A	98.6	Very high	97.4	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.008	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146.8	176.4	0	0	0	0	0	111.6	L339 M374 R376 A377 L390 V401	L339-A388 HydrophobicContact CD1-CB 4.01Å; M374-A388 HydrophobicContact CG-CB 4.47Å; M374-A388 HydrophobicContact SD-CB 4.16Å; R376-A388 CarbonylContact O-C 3.41Å; R376-A388 WeakPolarHBondContact O-CA 3.1Å; A377-A388 HydrophobicContact CB-CB 4.24Å; A388-L390 HydrophobicContact CB-CD2 3.84Å; A388-L390 HydrophobicContact CB-CG 4.48Å; A388-V401 PolarHBondContact N-O 2.79Å; A388-V401 PolarHBondContact O-N 3.41Å
389	V	98.7	Very high	97.4	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.018	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	114.8	170.2	178.2	0	0	0	0	107.4	A375 R376 W387 L398 Q399 L400 W464	A375-V389 HydrophobicContact CB-CB 4.37Å; A375-V389 HydrophobicContact CB-CG1 4.08Å; A375-V389 PolarHBondContact N-O 2.98Å; R376-V389 HydrophobicContact CB-CB 3.99Å; R376-V389 HydrophobicContact CB-CG2 3.91Å; R376-V389 PolarHBondContact O-N 2.82Å; W387-V389 HydrophobicContact CE3-CG2 4.37Å; W387-V389 HydrophobicContact CZ3-CG2 4.02Å; V389-L398 HydrophobicContact CG1-CD1 3.4Å; V389-L398 VanDerWaalsContact CG1-CD1 3.4Å; V389-L398 HydrophobicContact CG1-CD2 4.08Å; V389-L398 HydrophobicContact CG1-CG 3.67Å; V389-Q399 WeakPolarHBondContact CA-O 3.5Å; V389-L400 HydrophobicContact CG2-CD1 3.71Å; V389-W464 HydrophobicContact CG1-CH2 4.46Å; V389-W464 HydrophobicContact CG2-CH2 3.7Å; V389-W464 HydrophobicContact CG2-CZ3 4.25Å
390	L	98.6	Very high	97.4	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.016	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136	-173.4	-53.8	-173.5	0	0	0	109.6	F364 F368 T371 M374 A388 L398 Q399 V401	F364-L390 HydrophobicContact CE2-CD2 4.45Å; F364-L390 HydrophobicContact CZ-CD1 4.02Å; F364-L390 HydrophobicContact CZ-CD2 3.82Å; F368-L390 HydrophobicContact CB-CD1 3.96Å; F368-L390 HydrophobicContact CD1-CD1 3.88Å; F368-L390 HydrophobicContact CD2-CD1 3.99Å; F368-L390 HydrophobicContact CE1-CD1 4.4Å; F368-L390 HydrophobicContact CE2-CD1 4.49Å; F368-L390 HydrophobicContact CG-CD1 3.66Å; T371-L390 HydrophobicContact CG2-CB 3.77Å; T371-L390 HydrophobicContact CG2-CD1 4.3Å; T371-L390 HydrophobicContact CG2-CD2 4.15Å; T371-L390 HydrophobicContact CG2-CG 4.28Å; M374-L390 HydrophobicContact CB-CD2 4.41Å; M374-L390 HydrophobicContact CG-CD2 4.3Å; A388-L390 HydrophobicContact CB-CD2 3.84Å; A388-L390 HydrophobicContact CB-CG 4.48Å; L390-L398 CarbonylContact O-C 3.55Å; L390-L398 WeakPolarHBondContact O-CA 3.48Å; L390-Q399 HydrophobicContact CB-CB 4.41Å; L390-Q399 PolarHBondContact N-O 2.76Å; L390-Q399 PolarHBondContact O-N 3.15Å; L390-V401 HydrophobicContact CD1-CG2 3.88Å; L390-V401 HydrophobicContact CG-CG2 4.27Å
391	L	98.7	Very high	97.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.4	175	-74.2	173.6	0	0	0	111	F273 E372 Y373 A375 Q395 K397 L398 I443 V445	F273-L391 HydrophobicContact CD1-CD1 4.25Å; F273-L391 HydrophobicContact CE1-CD1 3.56Å; F273-L391 HydrophobicContact CZ-CD1 4.33Å; E372-L391 PolarHBondContact N-O 2.91Å; Y373-L391 HydrophobicContact CD2-CB 4.23Å; Y373-L391 PolarHBondContact N-O 3.03Å; Y373-L391 VanDerWaalsContact N-O 3.15Å; Y373-L391 PolarHBondContact O-N 3.04Å; A375-L391 HydrophobicContact CB-CD1 4.08Å; A375-L391 HydrophobicContact CB-CG 4.37Å; L391-Q395 HydrophobicContact CD1-CG 4.4Å; L391-K397 WeakPolarHBondContact CA-O 3.37Å; L391-L398 HydrophobicContact CD2-CB 3.69Å; L391-L398 HydrophobicContact CD2-CD1 4.11Å; L391-L398 HydrophobicContact CD2-CG 4.18Å; L391-I443 HydrophobicContact CD2-CB 4.04Å; L391-I443 HydrophobicContact CD2-CG1 4.32Å; L391-I443 HydrophobicContact CD2-CG2 3.99Å; L391-V445 HydrophobicContact CD1-CG2 3.51Å
392	D	98.3	Very high	97.7	Very high	33 Å²	33	22 Å²	22	18%	0.176	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	165.5	165.2	85	-59	0	0	0	111.6	R370 S394 Q395 K396 K397	R370-D392 VanDerWaalsContact O-CA 3.32Å; R370-D392 WeakPolarHBondContact O-CA 3.41Å; D392-S394 VanDerWaalsContact C-N 3.27Å; D392-S394 PolarHBondContact O-N 3.33Å; D392-S394 WeakPolarHBondContact OD2-CB 3.26Å; D392-S394 PolarHBondContact OD2-N 3.39Å; D392-S394 VanDerWaalsContact OD2-N 3.16Å; D392-S394 PolarHBondContact OD2-OG 2.79Å; D392-Q395 PolarHBondContact O-N 2.86Å; D392-Q395 PolarHBondContact OD1-N 2.86Å; D392-K396 PolarHBondContact OD1-N 3.18Å; D392-K397 HydrophobicContact CB-CB 4.27Å; D392-K397 PolarHBondContact N-O 3.3Å; D392-K397 PolarHBondContact OD1-N 2.93Å
393	R	98.3	Very high	98	Very high	65 Å²	65	19.2 Å²	19.2	25%	0.245	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-38	-178.6	-175.8	167.3	178.7	154.1	1.4	113.4	S332 E372 Q395 E789	S332-R393 PolarHBondContact O-NH1 2.83Å; S332-R393 PolarHBondContact O-NH2 3.02Å; E372-R393 HydrophobicContact CB-CB 3.85Å; E372-R393 HydrophobicContact CG-CB 3.9Å; E372-R393 HydrophobicContact CG-CG 4.08Å; E372-R393 IonicContact OE1-NH1 3.92Å; R393-Q395 PolarHBondContact O-N 3.4Å; R393-E789 VanDerWaalsContact CG-OE2 3.23Å; R393-E789 WeakPolarHBondContact CG-OE2 3.42Å; R393-E789 IonicContact CZ-OE1 2.65Å; R393-E789 IonicContact CZ-OE2 3.83Å; R393-E789 IonicContact NE-OE1 3.03Å; R393-E789 PolarHBondContact NE-OE1 3.48Å; R393-E789 IonicContact NE-OE2 3.74Å; R393-E789 PolarHBondContact NE-OE2 2.98Å; R393-E789 IonicContact NH2-OE1 3.89Å; R393-E789 PolarHBondContact NH2-OE1 2.97Å; R393-E789 IonicContact NH2-OE2 2.77Å
394	S	98.2	Very high	98.1	Very high	35 Å²	35	19.6 Å²	19.6	25%	0.245	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-9	179.3	77.6	0	0	0	0	113.5	D392 K396	D392-S394 VanDerWaalsContact C-N 3.27Å; D392-S394 PolarHBondContact O-N 3.33Å; D392-S394 WeakPolarHBondContact OD2-CB 3.26Å; D392-S394 PolarHBondContact OD2-N 3.39Å; D392-S394 VanDerWaalsContact OD2-N 3.16Å; D392-S394 PolarHBondContact OD2-OG 2.79Å; S394-K396 PolarHBondContact O-N 3.04Å; S394-K396 WeakPolarHBondContact OG-CB 3.33Å
395	Q	98.6	Very high	98.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	55.2	36.9	-177.2	-58.6	173	61.1	0	0	112.1	F273 Y373 L391 D392 R393 W442 I443 G786	F273-Q395 HydrophobicContact CZ-CG 4.39Å; Y373-Q395 HydrophobicContact CD2-CG 4.13Å; Y373-Q395 HydrophobicContact CE2-CG 3.92Å; L391-Q395 HydrophobicContact CD1-CG 4.4Å; D392-Q395 PolarHBondContact O-N 2.86Å; D392-Q395 PolarHBondContact OD1-N 2.86Å; R393-Q395 PolarHBondContact O-N 3.4Å; Q395-W442 CarbonylContact O-C 3.59Å; Q395-W442 WeakPolarHBondContact O-CA 3.38Å; Q395-I443 WeakPolarHBondContact O-CG1 3.14Å; Q395-I443 PolarHBondContact O-N 3.27Å; Q395-G786 PolarHBondContact NE2-O 3Å
396	K	98.5	Very high	98.2	Very high	40 Å²	40	18.8 Å²	18.8	17%	0.174	10%	0.1	C	C	.	.			trans	-115	-7	178.1	-70.5	168.4	-166.6	158	0	112	D392 S394 T438 T439 D793	D392-K396 PolarHBondContact OD1-N 3.18Å; S394-K396 PolarHBondContact O-N 3.04Å; S394-K396 WeakPolarHBondContact OG-CB 3.33Å; K396-T438 CarbonylContact O-C 3.59Å; K396-T438 WeakPolarHBondContact O-CA 3.39Å; K396-T439 WeakPolarHBondContact CB-O 3.28Å; K396-T439 PolarHBondContact O-N 3.13Å; K396-D793 IonicContact NZ-OD2 3.14Å; K396-D793 PolarHBondContact NZ-OD2 3.32Å
397	K	98.1	Very high	98.1	Very high	54 Å²	54	18.7 Å²	18.7	24%	0.235	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	123.7	175.3	-176.8	174.9	-176.6	177.5	0	110.2	L391 D392 E436 E437 T438	L391-K397 WeakPolarHBondContact CA-O 3.37Å; D392-K397 HydrophobicContact CB-CB 4.27Å; D392-K397 PolarHBondContact N-O 3.3Å; D392-K397 PolarHBondContact OD1-N 2.93Å; K397-E436 WeakPolarHBondContact CE-OE2 3.22Å; K397-E436 IonicContact NZ-OE2 3.88Å; K397-E436 PolarHBondContact NZ-OE2 3.22Å; K397-E437 WeakPolarHBondContact CA-O 3.36Å; K397-T438 HydrophobicContact CB-CG2 4.28Å; K397-T438 HydrophobicContact CG-CG2 4.04Å
398	L	98.4	Very high	98.1	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.01	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.8	173.8	177.4	153.1	0	0	0	110.4	V389 L390 L391 E436 E437 I443 W464	V389-L398 HydrophobicContact CG1-CD1 3.4Å; V389-L398 VanDerWaalsContact CG1-CD1 3.4Å; V389-L398 HydrophobicContact CG1-CD2 4.08Å; V389-L398 HydrophobicContact CG1-CG 3.67Å; L390-L398 CarbonylContact O-C 3.55Å; L390-L398 WeakPolarHBondContact O-CA 3.48Å; L391-L398 HydrophobicContact CD2-CB 3.69Å; L391-L398 HydrophobicContact CD2-CD1 4.11Å; L391-L398 HydrophobicContact CD2-CG 4.18Å; L398-E436 WeakPolarHBondContact O-CA 3.11Å; L398-E437 HydrophobicContact CB-CG 3.67Å; L398-E437 HydrophobicContact CD2-CG 4Å; L398-E437 HydrophobicContact CG-CG 4.34Å; L398-E437 PolarHBondContact N-O 3.22Å; L398-E437 PolarHBondContact O-N 3.31Å; L398-I443 HydrophobicContact CB-CG1 4.3Å; L398-I443 HydrophobicContact CB-CG2 4.18Å; L398-I443 HydrophobicContact CD1-CG2 3.72Å; L398-W464 HydrophobicContact CD1-CZ2 4.3Å; L398-W464 HydrophobicContact CD2-CZ2 3.87Å
399	Q	98.3	Very high	98.1	Very high	27 Å²	27	17.7 Å²	17.7	13%	0.126	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.8	172.5	-68.2	-178.2	-33	0	0	110.2	V389 L390 V401 I433 Y435 E436	V389-Q399 WeakPolarHBondContact CA-O 3.5Å; L390-Q399 HydrophobicContact CB-CB 4.41Å; L390-Q399 PolarHBondContact N-O 2.76Å; L390-Q399 PolarHBondContact O-N 3.15Å; Q399-V401 HydrophobicContact CB-CG2 4.18Å; Q399-I433 HydrophobicContact CB-CG2 4.1Å; Q399-I433 HydrophobicContact CG-CG2 4.17Å; Q399-Y435 WeakPolarHBondContact CA-O 3.38Å; Q399-E436 HydrophobicContact CG-CB 4.46Å; Q399-E436 HydrophobicContact CG-CG 4.09Å; Q399-E436 PolarHBondContact NE2-OE2 2.9Å
400	L	98.6	Very high	98	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.7	168.8	178	64.6	0	0	0	108.6	W387 V389 I433 I434 Y435 F449 F462 W464	W387-L400 HydrophobicContact CE3-CD1 4.13Å; V389-L400 HydrophobicContact CG2-CD1 3.71Å; L400-I433 CarbonylContact O-C 3.27Å; L400-I434 HydrophobicContact CB-CG1 4.24Å; L400-I434 HydrophobicContact CD2-CD1 3.62Å; L400-I434 HydrophobicContact CD2-CG1 3.91Å; L400-I434 HydrophobicContact CG-CD1 3.8Å; L400-I434 HydrophobicContact CG-CG1 3.75Å; L400-I434 WeakPolarHBondContact O-CG1 3.48Å; L400-I434 PolarHBondContact O-N 2.96Å; L400-Y435 PolarHBondContact N-O 3.35Å; L400-Y435 PolarHBondContact O-N 3.2Å; L400-F449 HydrophobicContact CD2-CD2 3.92Å; L400-F449 HydrophobicContact CD2-CE2 3.65Å; L400-F449 HydrophobicContact CD2-CZ 4.21Å; L400-F462 HydrophobicContact CD2-CD2 4.25Å; L400-F462 HydrophobicContact CD2-CE2 3.89Å; L400-F462 HydrophobicContact CD2-CZ 4.36Å; L400-W464 HydrophobicContact CD1-CZ3 4.22Å; L400-W464 HydrophobicContact CD2-CD2 4.44Å; L400-W464 HydrophobicContact CD2-CE3 3.88Å; L400-W464 HydrophobicContact CD2-CZ3 3.95Å
401	V	98.5	Very high	97.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137	-169.6	-170.2	0	0	0	0	111.1	F368 W387 A388 L390 Q399 L403 P431 Y432 I433	F368-V401 HydrophobicContact CE1-CG1 3.75Å; F368-V401 HydrophobicContact CE1-CG2 4.14Å; F368-V401 HydrophobicContact CZ-CG1 3.7Å; W387-V401 CarbonylContact C-O 3.54Å; W387-V401 WeakPolarHBondContact CA-O 3.46Å; W387-V401 WeakPolarHBondContact CB-O 3.32Å; A388-V401 PolarHBondContact N-O 2.79Å; A388-V401 PolarHBondContact O-N 3.41Å; L390-V401 HydrophobicContact CD1-CG2 3.88Å; L390-V401 HydrophobicContact CG-CG2 4.27Å; Q399-V401 HydrophobicContact CB-CG2 4.18Å; V401-L403 HydrophobicContact CG1-CD2 4.15Å; V401-P431 HydrophobicContact CG1-CB 4.09Å; V401-Y432 CarbonylContact C-O 3.57Å; V401-Y432 VanDerWaalsContact CA-O 3.29Å; V401-Y432 WeakPolarHBondContact CA-O 3.37Å; V401-I433 HydrophobicContact CG1-CG1 4.41Å; V401-I433 HydrophobicContact CG2-CG1 3.96Å
402	L	98.6	Very high	97.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.4	166.6	-56.1	-179.3	0	0	0	110.6	T380 Y385 G386 W387 P431 Y432 I434 F460 L482	T380-L402 HydrophobicContact CG2-CD2 4.22Å; Y385-L402 HydrophobicContact CD1-CB 4.14Å; Y385-L402 HydrophobicContact CD2-CD1 4.19Å; Y385-L402 HydrophobicContact CG-CB 4.1Å; Y385-L402 HydrophobicContact CG-CD1 4.28Å; G386-L402 CarbonylContact O-C 3.53Å; G386-L402 WeakPolarHBondContact O-CA 3.46Å; W387-L402 HydrophobicContact CB-CD2 3.81Å; L402-P431 WeakPolarHBondContact O-CA 3.47Å; L402-Y432 PolarHBondContact N-O 2.98Å; L402-Y432 PolarHBondContact O-N 3.14Å; L402-I434 HydrophobicContact CD1-CD1 4.25Å; L402-I434 HydrophobicContact CD1-CG2 3.71Å; L402-I434 HydrophobicContact CD2-CD1 3.89Å; L402-I434 HydrophobicContact CG-CD1 3.87Å; L402-I434 HydrophobicContact CG-CG1 4.25Å; L402-I434 HydrophobicContact CG-CG2 3.82Å; L402-F460 HydrophobicContact CD1-CD1 3.95Å; L402-F460 HydrophobicContact CD1-CD2 3.92Å; L402-F460 HydrophobicContact CD1-CE1 4Å; L402-F460 HydrophobicContact CD1-CE2 3.96Å; L402-F460 HydrophobicContact CD1-CG 3.9Å; L402-F460 HydrophobicContact CD1-CZ 3.99Å; L402-F460 HydrophobicContact CD2-CE1 4.2Å; L402-F460 HydrophobicContact CD2-CZ 4.04Å; L402-L482 HydrophobicContact CD1-CD1 4.49Å; L402-L482 HydrophobicContact CD1-CD2 4.32Å
403	L	98	Very high	97.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	104.4	-175.8	-61.8	171.4	0	0	0	109.1	L339 F368 G386 V401 L407 F408 P431	L339-L403 HydrophobicContact CD1-CD1 3.37Å; F368-L403 HydrophobicContact CE2-CD2 4.2Å; F368-L403 HydrophobicContact CZ-CD2 4Å; G386-L403 PolarHBondContact N-O 3.26Å; G386-L403 PolarHBondContact O-N 3.24Å; V401-L403 HydrophobicContact CG1-CD2 4.15Å; L403-L407 HydrophobicContact CD2-CD2 3.99Å; L403-F408 HydrophobicContact CB-CE2 4.28Å; L403-F408 HydrophobicContact CB-CZ 4.5Å; L403-P431 HydrophobicContact CD2-CB 3.91Å
404	P	96.6	Very high	97.1	Very high	15 Å²	15	32.9 Å²	32.9	10%	0.097	18%	0.179	C	C	.	.			trans	-64.1	139.7	175.1	-13.6	25	0	0	0	110.7	Y385 A406 L407 T429 Q430 Y432	Y385-P404 HydrophobicContact CD1-CB 4.13Å; Y385-P404 HydrophobicContact CD1-CG 3.92Å; Y385-P404 HydrophobicContact CE1-CB 4.21Å; Y385-P404 HydrophobicContact CE1-CG 3.88Å; P404-A406 PolarHBondContact O-N 3.26Å; P404-A406 VanDerWaalsContact O-N 3.12Å; P404-L407 WeakPolarHBondContact O-CB 3.48Å; P404-L407 PolarHBondContact O-N 3.44Å; P404-T429 HydrophobicContact CB-CG2 4.28Å; P404-T429 HydrophobicContact CG-CG2 4.37Å; P404-Q430 VanDerWaalsContact CD-O 3.26Å; P404-Q430 WeakPolarHBondContact CD-O 3.43Å; P404-Q430 VanDerWaalsContact CG-O 3.24Å; P404-Q430 WeakPolarHBondContact CG-O 3.43Å; P404-Y432 HydrophobicContact CG-CD2 4.44Å; P404-Y432 HydrophobicContact CG-CE2 4.02Å
405	P	96.7	Very high	96.9	Very high	29 Å²	29	35.7 Å²	35.7	19%	0.188	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-56.5	-28.8	176.2	-29.5	36.8	0	0	0	114.3	L341 W379 K384 L407 F408	L341-P405 HydrophobicContact CD2-CB 4.11Å; W379-P405 HydrophobicContact CH2-CG 3.99Å; W379-P405 HydrophobicContact CZ3-CG 3.78Å; K384-P405 WeakPolarHBondContact O-CD 3.42Å; P405-L407 PolarHBondContact O-N 3.46Å; P405-F408 PolarHBondContact O-N 3.17Å; P405-F408 VanDerWaalsContact O-N 3.1Å
406	A	96.3	Very high	96.7	Very high	49 Å²	49	39.6 Å²	39.6	41%	0.405	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-65.9	-14.1	175.9	0	0	0	0	0	113.8	P404 F408 T429	P404-A406 PolarHBondContact O-N 3.26Å; P404-A406 VanDerWaalsContact O-N 3.12Å; A406-F408 PolarHBondContact O-N 2.63Å; A406-T429 HydrophobicContact CB-CG2 3.86Å
407	L	97.2	Very high	96.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-74.2	-9.5	173.5	-163.5	68.1	0	0	0	112.3	L360 V361 L403 P404 P405 T429 P431 W489	L360-L407 HydrophobicContact CD2-CD2 3.76Å; L360-L407 HydrophobicContact CD2-CG 3.98Å; V361-L407 WeakPolarHBondContact CG1-O 3.47Å; V361-L407 HydrophobicContact CG2-CD1 3.58Å; V361-L407 HydrophobicContact CG2-CG 4.14Å; V361-L407 PolarHBondContact N-O 2.86Å; L403-L407 HydrophobicContact CD2-CD2 3.99Å; P404-L407 WeakPolarHBondContact O-CB 3.48Å; P404-L407 PolarHBondContact O-N 3.44Å; P405-L407 PolarHBondContact O-N 3.46Å; L407-T429 HydrophobicContact CB-CG2 4.23Å; L407-T429 HydrophobicContact CD1-CG2 4.28Å; L407-P431 HydrophobicContact CD2-CB 4.29Å; L407-P431 HydrophobicContact CD2-CG 4.47Å; L407-W489 HydrophobicContact CD1-CZ2 4.09Å
408	F	98.3	Very high	96.3	Very high	8 Å²	8	42 Å²	42	4%	0.035	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.4	179.9	-59.1	-96.6	0	0	0	110.5	L298 L339 L341 K358 E359 L360 L403 P405 A406	L298-F408 HydrophobicContact CD1-CE1 4.34Å; L298-F408 HydrophobicContact CD1-CZ 3.84Å; L339-F408 HydrophobicContact CB-CE1 4.38Å; L341-F408 HydrophobicContact CB-CB 3.91Å; L341-F408 HydrophobicContact CB-CD1 3.76Å; L341-F408 HydrophobicContact CB-CD2 4.21Å; L341-F408 HydrophobicContact CB-CE1 4.3Å; L341-F408 HydrophobicContact CB-CG 3.7Å; L341-F408 HydrophobicContact CD2-CB 4.08Å; L341-F408 HydrophobicContact CD2-CD2 4.11Å; L341-F408 HydrophobicContact CD2-CG 4.19Å; K358-F408 HydrophobicContact CB-CB 3.81Å; K358-F408 HydrophobicContact CD-CB 4.41Å; E359-F408 CarbonylContact O-C 3.45Å; E359-F408 WeakPolarHBondContact O-CA 3.2Å; L360-F408 HydrophobicContact CD2-CD1 3.98Å; L360-F408 HydrophobicContact CD2-CE1 3.55Å; L360-F408 HydrophobicContact CD2-CE2 4.23Å; L360-F408 HydrophobicContact CD2-CG 4.5Å; L360-F408 HydrophobicContact CD2-CZ 3.69Å; L360-F408 HydrophobicContact CG-CD1 4.15Å; L360-F408 HydrophobicContact CG-CE1 3.79Å; L360-F408 HydrophobicContact CG-CZ 4.4Å; L403-F408 HydrophobicContact CB-CE2 4.28Å; L403-F408 HydrophobicContact CB-CZ 4.5Å; P405-F408 PolarHBondContact O-N 3.17Å; P405-F408 VanDerWaalsContact O-N 3.1Å; A406-F408 PolarHBondContact O-N 2.63Å
409	I	97.9	Very high	96.1	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.031	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	152.2	179.9	57.7	166.7	0	0	0	111.4	K358 E359 V361 I411 R418 L422 V425	K358-I409 CarbonylContact C-O 3.47Å; K358-I409 WeakPolarHBondContact CA-O 3.48Å; K358-I409 VanDerWaalsContact CB-O 3.31Å; K358-I409 WeakPolarHBondContact CB-O 3.11Å; E359-I409 HydrophobicContact CG-CG1 4.33Å; E359-I409 PolarHBondContact N-O 3.43Å; E359-I409 PolarHBondContact O-N 3.14Å; V361-I409 HydrophobicContact CG1-CG2 3.89Å; I409-I411 PolarHBondContact O-N 3.41Å; I409-R418 HydrophobicContact CD1-CG 4.32Å; I409-L422 HydrophobicContact CD1-CD2 3.7Å; I409-L422 HydrophobicContact CD1-CG 4.01Å; I409-V425 HydrophobicContact CG2-CG2 3.58Å
410	P	97.6	Very high	96	Very high	43 Å²	43	48.5 Å²	48.5	28%	0.279	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	134.4	177.2	-26.7	36.7	0	0	0	113.2	Q356 T412	Q356-P410 HydrophobicContact CG-CB 4.18Å; Q356-P410 HydrophobicContact CG-CG 4.35Å; P410-T412 PolarHBondContact O-N 2.79Å
411	I	95.7	Very high	95.9	Very high	60 Å²	60	49.9 Å²	49.9	31%	0.308	28%	0.278	S	S	.	.			trans	-71.9	128.3	172.5	-58.6	-178.5	0	0	0	109.2	K340 D357 E359 I409	K340-I411 HydrophobicContact CD-CD1 4.28Å; D357-I411 HydrophobicContact CB-CD1 4.28Å; D357-I411 PolarHBondContact O-N 2.85Å; D357-I411 VanDerWaalsContact O-N 3.12Å; D357-I411 WeakPolarHBondContact OD2-CD1 3.39Å; E359-I411 HydrophobicContact CB-CD1 4.18Å; E359-I411 HydrophobicContact CB-CG1 3.85Å; E359-I411 HydrophobicContact CG-CG1 3.87Å; I409-I411 PolarHBondContact O-N 3.41Å
412	T	93.9	Very high	95.7	Very high	46 Å²	46	50.5 Å²	50.5	28%	0.282	28%	0.281	S	S	.	.			trans	-151.2	143.4	176.1	-179.4	0	0	0	0	110.5	P410 D414 L417 R418	P410-T412 PolarHBondContact O-N 2.79Å; T412-D414 VanDerWaalsContact C-N 3.3Å; T412-D414 WeakPolarHBondContact CG2-O 3.46Å; T412-D414 PolarHBondContact OG1-N 3.22Å; T412-D414 VanDerWaalsContact OG1-N 3.14Å; T412-L417 HydrophobicContact CG2-CB 4.05Å; T412-R418 HydrophobicContact CG2-CB 3.84Å
413	E	91.2	Very high	95.6	Very high	207 Å²	207	56 Å²	56	97%	0.967	31%	0.307	S	S	*	.	S	Bend	trans	-80	-16	171.4	-63.8	-175.5	174.4	0	0	112.1	S415	E413-S415 PolarHBondContact O-N 2.82Å
414	D	94.9	Very high	95.5	Very high	69 Å²	69	59.7 Å²	59.7	37%	0.369	34%	0.337	S	S	.	.			trans	-78.2	109.8	177.4	-171.4	-29.2	0	0	0	110.4	T412 T416 L417 R418	T412-D414 VanDerWaalsContact C-N 3.3Å; T412-D414 WeakPolarHBondContact CG2-O 3.46Å; T412-D414 PolarHBondContact OG1-N 3.22Å; T412-D414 VanDerWaalsContact OG1-N 3.14Å; D414-T416 PolarHBondContact O-N 2.9Å; D414-T416 WeakPolarHBondContact OD1-CB 3.5Å; D414-T416 PolarHBondContact OD1-N 3.03Å; D414-T416 PolarHBondContact OD1-OG1 3.01Å; D414-L417 HydrophobicContact CB-CB 4.13Å; D414-L417 HydrophobicContact CB-CD1 3.96Å; D414-L417 HydrophobicContact CB-CG 4.05Å; D414-L417 PolarHBondContact O-N 3.37Å; D414-L417 PolarHBondContact OD1-N 3.23Å; D414-R418 PolarHBondContact O-N 3.24Å
415	S	92.1	Very high	95.5	Very high	93 Å²	93	59.7 Å²	59.7	65%	0.65	34%	0.337	S	S	*	.	H	α-helix	trans	-58.9	-31	180	57.8	0	0	0	0	113.6	E413 Q419	E413-S415 PolarHBondContact O-N 2.82Å; S415-Q419 WeakPolarHBondContact O-CB 3.34Å; S415-Q419 PolarHBondContact O-N 3.27Å
416	T	94.3	Very high	95.4	Very high	83 Å²	83	61.6 Å²	61.6	51%	0.509	35%	0.349	S	S	.	.	H	α-helix	trans	-72.1	-47.7	179.5	62.4	0	0	0	0	110.9	D414 R418 Q419 D420	D414-T416 PolarHBondContact O-N 2.9Å; D414-T416 WeakPolarHBondContact OD1-CB 3.5Å; D414-T416 PolarHBondContact OD1-N 3.03Å; D414-T416 PolarHBondContact OD1-OG1 3.01Å; T416-R418 VanDerWaalsContact C-N 3.26Å; T416-R418 PolarHBondContact O-N 2.95Å; T416-Q419 WeakPolarHBondContact O-CB 3.26Å; T416-Q419 PolarHBondContact O-N 3.33Å; T416-Q419 VanDerWaalsContact O-N 3.12Å; T416-D420 PolarHBondContact O-N 3.02Å
417	L	94.4	Very high	95.1	Very high	87 Å²	87	61.2 Å²	61.2	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-63.2	-33.7	175	-64.4	-179.7	0	0	0	112.3	T412 D414 S421	T412-L417 HydrophobicContact CG2-CB 4.05Å; D414-L417 HydrophobicContact CB-CB 4.13Å; D414-L417 HydrophobicContact CB-CD1 3.96Å; D414-L417 HydrophobicContact CB-CG 4.05Å; D414-L417 PolarHBondContact O-N 3.37Å; D414-L417 PolarHBondContact OD1-N 3.23Å; L417-S421 WeakPolarHBondContact O-CB 3.49Å; L417-S421 PolarHBondContact O-N 2.84Å; L417-S421 PolarHBondContact O-OG 3.21Å
418	R	94.8	Very high	94.8	Very high	58 Å²	58	64.3 Å²	64.3	22%	0.219	37%	0.365	C	S	.	.	H	α-helix	trans	-65.8	-44.4	173.7	-167.9	178.6	-166.9	-54.9	1.2	111.2	E359 V361 I409 T412 D414 T416 S421 L422	E359-R418 IonicContact OE1-CZ 3.71Å; E359-R418 VanDerWaalsContact OE1-CZ 3.32Å; E359-R418 IonicContact OE1-NE 2.8Å; E359-R418 PolarHBondContact OE1-NE 2.96Å; E359-R418 VanDerWaalsContact OE1-NE 3.09Å; E359-R418 IonicContact OE1-NH2 2.76Å; E359-R418 PolarHBondContact OE1-NH2 3.12Å; V361-R418 PolarHBondContact O-NH2 3.2Å; I409-R418 HydrophobicContact CD1-CG 4.32Å; T412-R418 HydrophobicContact CG2-CB 3.84Å; D414-R418 PolarHBondContact O-N 3.24Å; T416-R418 VanDerWaalsContact C-N 3.26Å; T416-R418 PolarHBondContact O-N 2.95Å; R418-S421 WeakPolarHBondContact O-CB 3.32Å; R418-S421 PolarHBondContact O-N 3.23Å; R418-L422 WeakPolarHBondContact O-CG 3.48Å; R418-L422 PolarHBondContact O-N 3.09Å
419	Q	94.3	Very high	94.7	Very high	71 Å²	71	64.5 Å²	64.5	33%	0.332	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-46.6	177.2	-171.8	64.8	22.6	0	0	111.3	S415 T416 S421 L422 E423 A490	S415-Q419 WeakPolarHBondContact O-CB 3.34Å; S415-Q419 PolarHBondContact O-N 3.27Å; T416-Q419 WeakPolarHBondContact O-CB 3.26Å; T416-Q419 PolarHBondContact O-N 3.33Å; T416-Q419 VanDerWaalsContact O-N 3.12Å; Q419-S421 PolarHBondContact O-N 2.8Å; Q419-L422 WeakPolarHBondContact O-CB 3.4Å; Q419-L422 PolarHBondContact O-N 2.98Å; Q419-L422 VanDerWaalsContact O-N 3.07Å; Q419-E423 PolarHBondContact NE2-OE1 2.73Å; Q419-E423 WeakPolarHBondContact O-CG 3.36Å; Q419-E423 PolarHBondContact O-N 2.85Å; Q419-A490 PolarHBondContact NE2-O 3.38Å
420	D	95.9	Very high	94.5	Very high	94 Å²	94	64.7 Å²	64.7	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-57.5	-39.7	175.6	-67.3	-14.1	0	0	0	111.4	T416 E423 A424	T416-D420 PolarHBondContact O-N 3.02Å; D420-E423 PolarHBondContact O-N 3.18Å; D420-A424 WeakPolarHBondContact O-CB 3.36Å; D420-A424 PolarHBondContact O-N 3.34Å
421	S	95.9	Very high	94.5	Very high	28 Å²	28	62.6 Å²	62.6	20%	0.196	35%	0.354	C	S	.	.	H	α-helix	trans	-67.1	-37.6	177	-60.3	0	0	0	0	112.5	L417 R418 Q419 A424 V425	L417-S421 WeakPolarHBondContact O-CB 3.49Å; L417-S421 PolarHBondContact O-N 2.84Å; L417-S421 PolarHBondContact O-OG 3.21Å; R418-S421 WeakPolarHBondContact O-CB 3.32Å; R418-S421 PolarHBondContact O-N 3.23Å; Q419-S421 PolarHBondContact O-N 2.8Å; S421-A424 PolarHBondContact O-N 3Å; S421-V425 WeakPolarHBondContact O-CG2 3.33Å
422	L	95.9	Very high	94.6	Very high	14 Å²	14	60.7 Å²	60.7	7%	0.073	34%	0.343	C	S	.	.	H	α-helix	trans	-67.1	-43.1	175	-73.9	172.4	0	0	0	111.9	V361 I409 R418 Q419 A424 V425 W489 A490	V361-L422 HydrophobicContact CB-CD2 3.93Å; V361-L422 HydrophobicContact CG1-CD2 4.08Å; I409-L422 HydrophobicContact CD1-CD2 3.7Å; I409-L422 HydrophobicContact CD1-CG 4.01Å; R418-L422 WeakPolarHBondContact O-CG 3.48Å; R418-L422 PolarHBondContact O-N 3.09Å; Q419-L422 WeakPolarHBondContact O-CB 3.4Å; Q419-L422 PolarHBondContact O-N 2.98Å; Q419-L422 VanDerWaalsContact O-N 3.07Å; L422-A424 PolarHBondContact O-N 2.82Å; L422-V425 WeakPolarHBondContact O-CB 3.4Å; L422-V425 PolarHBondContact O-N 2.83Å; L422-W489 HydrophobicContact CD2-CB 4.17Å; L422-A490 HydrophobicContact CB-CB 4.06Å
423	E	95.7	Very high	94.8	Very high	114 Å²	114	59 Å²	59	53%	0.533	33%	0.332	S	S	.	.	H	α-helix	trans	-65	-28.2	177.4	-70	-178.4	-169.2	0	0	112.2	Q419 D420 V425 A490	Q419-E423 PolarHBondContact NE2-OE1 2.73Å; Q419-E423 WeakPolarHBondContact O-CG 3.36Å; Q419-E423 PolarHBondContact O-N 2.85Å; D420-E423 PolarHBondContact O-N 3.18Å; E423-V425 VanDerWaalsContact C-N 3.31Å; E423-A490 HydrophobicContact CG-CB 3.6Å
424	A	95.9	Very high	95.2	Very high	79 Å²	79	49.1 Å²	49.1	65%	0.653	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-14.3	176.2	0	0	0	0	0	114.1	D420 S421 L422 P426	D420-A424 WeakPolarHBondContact O-CB 3.36Å; D420-A424 PolarHBondContact O-N 3.34Å; S421-A424 PolarHBondContact O-N 3Å; L422-A424 PolarHBondContact O-N 2.82Å; A424-P426 WeakPolarHBondContact O-CD 3.38Å
425	V	96.2	Very high	95.3	Very high	16 Å²	16	46.2 Å²	46.2	10%	0.097	27%	0.27	C	S	.	.	S	Bend	trans	-71	123.8	178.4	-178.3	0	0	0	0	109.3	V361 I409 S421 L422 E423 S427 T429	V361-V425 HydrophobicContact CG1-CG1 4.38Å; V361-V425 HydrophobicContact CG1-CG2 3.76Å; I409-V425 HydrophobicContact CG2-CG2 3.58Å; S421-V425 WeakPolarHBondContact O-CG2 3.33Å; L422-V425 WeakPolarHBondContact O-CB 3.4Å; L422-V425 PolarHBondContact O-N 2.83Å; E423-V425 VanDerWaalsContact C-N 3.31Å; V425-S427 PolarHBondContact O-N 3Å; V425-T429 HydrophobicContact CG1-CG2 4.15Å
426	P	94.9	Very high	95.6	Very high	68 Å²	68	44.3 Å²	44.3	44%	0.442	25%	0.251	S	S	.	.			trans	-58.2	134.3	178.8	-22.5	31.8	0	0	0	111	A424 C428 T429	A424-P426 WeakPolarHBondContact O-CD 3.38Å; P426-C428 PolarHBondContact O-N 3.45Å; P426-T429 WeakPolarHBondContact O-CB 3.3Å; P426-T429 PolarHBondContact O-N 2.91Å; P426-T429 PolarHBondContact O-OG1 2.93Å
427	S	90.6	Very high	95.7	Very high	42 Å²	42	40.9 Å²	40.9	29%	0.294	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-18.5	-173.9	56.3	0	0	0	0	114.9	V425 T429 Y486 H487	V425-S427 PolarHBondContact O-N 3Å; S427-T429 VanDerWaalsContact C-N 3.35Å; S427-Y486 WeakPolarHBondContact O-CA 3.15Å; S427-Y486 VanDerWaalsContact OG-CE2 3.25Å; S427-Y486 WeakPolarHBondContact OG-CE2 3.35Å; S427-H487 WeakPolarHBondContact CA-O 3.44Å; S427-H487 PolarHBondContact O-N 2.74Å
428	C	91	Very high	95.8	Very high	64 Å²	64	41 Å²	41	43%	0.432	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-7	173.4	59.9	0	0	0	0	114.3	P426 Q430 P484 G485	P426-C428 PolarHBondContact O-N 3.45Å; C428-Q430 PolarHBondContact O-N 2.57Å; C428-P484 HydrophobicContact CB-CB 4.01Å; C428-G485 WeakPolarHBondContact CA-O 3.32Å
429	T	94.9	Very high	96	Very high	12 Å²	12	39.2 Å²	39.2	7%	0.074	23%	0.229	C	C	.	.			trans	-75.9	120.9	-179.7	-52.6	0	0	0	0	109.9	P404 A406 L407 V425 P426 S427 W489	P404-T429 HydrophobicContact CB-CG2 4.28Å; P404-T429 HydrophobicContact CG-CG2 4.37Å; A406-T429 HydrophobicContact CB-CG2 3.86Å; L407-T429 HydrophobicContact CB-CG2 4.23Å; L407-T429 HydrophobicContact CD1-CG2 4.28Å; V425-T429 HydrophobicContact CG1-CG2 4.15Å; P426-T429 WeakPolarHBondContact O-CB 3.3Å; P426-T429 PolarHBondContact O-N 2.91Å; P426-T429 PolarHBondContact O-OG1 2.93Å; S427-T429 VanDerWaalsContact C-N 3.35Å; T429-W489 PolarHBondContact O-NE1 3.21Å
430	Q	95.3	Very high	96.1	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.047	25%	0.25	C	S	.	.			trans	-153.7	162.3	176.9	62.3	176.1	-3.7	0	0	110.6	P404 C428 Y432 Q483 H487 W489 F500	P404-Q430 VanDerWaalsContact CD-O 3.26Å; P404-Q430 WeakPolarHBondContact CD-O 3.43Å; P404-Q430 VanDerWaalsContact CG-O 3.24Å; P404-Q430 WeakPolarHBondContact CG-O 3.43Å; C428-Q430 PolarHBondContact O-N 2.57Å; Q430-Y432 HydrophobicContact CG-CD1 4.45Å; Q430-Y432 HydrophobicContact CG-CE1 3.96Å; Q430-Y432 HydrophobicContact CG-CE2 4.31Å; Q430-Y432 WeakPolarHBondContact O-CD2 3.2Å; Q430-Y432 WeakPolarHBondContact O-CE2 3.23Å; Q430-Q483 PolarHBondContact NE2-O 3.15Å; Q430-H487 PolarHBondContact OE1-CD2 2.7Å; Q430-H487 PolarHBondContact OE1-NE2 3.08Å; Q430-W489 HydrophobicContact CB-CZ2 4.39Å; Q430-F500 HydrophobicContact CB-CD1 4.11Å; Q430-F500 HydrophobicContact CB-CE1 4.05Å
431	P	96.9	Very high	96.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.235	C	C	.	.			trans	-67	155.6	163.2	29	-34	0	0	0	111.4	L367 F368 V401 L402 L403 L407 F500	L367-P431 HydrophobicContact CD2-CG 4.41Å; F368-P431 HydrophobicContact CE1-CB 4.18Å; F368-P431 HydrophobicContact CE1-CG 4.41Å; F368-P431 HydrophobicContact CZ-CB 3.65Å; F368-P431 HydrophobicContact CZ-CG 4.02Å; V401-P431 HydrophobicContact CG1-CB 4.09Å; L402-P431 WeakPolarHBondContact O-CA 3.47Å; L403-P431 HydrophobicContact CD2-CB 3.91Å; L407-P431 HydrophobicContact CD2-CB 4.29Å; L407-P431 HydrophobicContact CD2-CG 4.47Å; P431-F500 HydrophobicContact CG-CB 4.31Å; P431-F500 HydrophobicContact CG-CD1 3.75Å; P431-F500 HydrophobicContact CG-CD2 3.66Å; P431-F500 HydrophobicContact CG-CE1 3.88Å; P431-F500 HydrophobicContact CG-CE2 3.78Å; P431-F500 HydrophobicContact CG-CG 3.64Å; P431-F500 HydrophobicContact CG-CZ 3.9Å; P431-F500 WeakPolarHBondContact O-CB 3.5Å
432	Y	97.8	Very high	96.4	Very high	19 Å²	19	38.5 Å²	38.5	8%	0.075	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	111.4	177.2	-59.4	-87.5	0	0	0	110.1	Y385 V401 L402 P404 Q430 I434 L482	Y385-Y432 HydrophobicContact CE1-CD2 4.28Å; Y385-Y432 HydrophobicContact CE1-CE2 4.07Å; V401-Y432 CarbonylContact C-O 3.57Å; V401-Y432 VanDerWaalsContact CA-O 3.29Å; V401-Y432 WeakPolarHBondContact CA-O 3.37Å; L402-Y432 PolarHBondContact N-O 2.98Å; L402-Y432 PolarHBondContact O-N 3.14Å; P404-Y432 HydrophobicContact CG-CD2 4.44Å; P404-Y432 HydrophobicContact CG-CE2 4.02Å; Q430-Y432 HydrophobicContact CG-CD1 4.45Å; Q430-Y432 HydrophobicContact CG-CE1 3.96Å; Q430-Y432 HydrophobicContact CG-CE2 4.31Å; Q430-Y432 WeakPolarHBondContact O-CD2 3.2Å; Q430-Y432 WeakPolarHBondContact O-CE2 3.23Å; Y432-I434 PolarHBondContact O-N 3.5Å; Y432-I434 VanDerWaalsContact O-N 3.14Å; Y432-L482 HydrophobicContact CD1-CB 4.21Å; Y432-L482 HydrophobicContact CD1-CD2 4.08Å; Y432-L482 HydrophobicContact CE1-CB 4.09Å; Y432-L482 HydrophobicContact CG-CD2 4.08Å
433	I	98.1	Very high	96.5	Very high	10 Å²	10	38 Å²	38	5%	0.051	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	93.4	173	-55.5	168.1	0	0	0	107	F368 Q399 L400 V401 F500 C502	F368-I433 HydrophobicContact CE1-CG1 4.47Å; Q399-I433 HydrophobicContact CB-CG2 4.1Å; Q399-I433 HydrophobicContact CG-CG2 4.17Å; L400-I433 CarbonylContact O-C 3.27Å; V401-I433 HydrophobicContact CG1-CG1 4.41Å; V401-I433 HydrophobicContact CG2-CG1 3.96Å; I433-F500 HydrophobicContact CD1-CB 4.1Å; I433-F500 HydrophobicContact CG1-CB 4.08Å; I433-F500 PolarHBondContact N-O 3.15Å; I433-C502 WeakPolarHBondContact O-CB 3.27Å; I433-C502 PolarHBondContact O-N 3.11Å
434	I	98.4	Very high	96.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-19.2	-173.2	56.7	165.5	0	0	0	113.2	L400 L402 Y432 F449 F460 F462 S480 L482 I504	L400-I434 HydrophobicContact CB-CG1 4.24Å; L400-I434 HydrophobicContact CD2-CD1 3.62Å; L400-I434 HydrophobicContact CD2-CG1 3.91Å; L400-I434 HydrophobicContact CG-CD1 3.8Å; L400-I434 HydrophobicContact CG-CG1 3.75Å; L400-I434 WeakPolarHBondContact O-CG1 3.48Å; L400-I434 PolarHBondContact O-N 2.96Å; L402-I434 HydrophobicContact CD1-CD1 4.25Å; L402-I434 HydrophobicContact CD1-CG2 3.71Å; L402-I434 HydrophobicContact CD2-CD1 3.89Å; L402-I434 HydrophobicContact CG-CD1 3.87Å; L402-I434 HydrophobicContact CG-CG1 4.25Å; L402-I434 HydrophobicContact CG-CG2 3.82Å; Y432-I434 PolarHBondContact O-N 3.5Å; Y432-I434 VanDerWaalsContact O-N 3.14Å; I434-F449 HydrophobicContact CD1-CE2 4.5Å; I434-F449 HydrophobicContact CD1-CZ 4.41Å; I434-F460 HydrophobicContact CD1-CD1 3.68Å; I434-F460 HydrophobicContact CD1-CE1 3.47Å; I434-F460 VanDerWaalsContact CD1-CE1 3.47Å; I434-F460 HydrophobicContact CG2-CD1 4.4Å; I434-F462 HydrophobicContact CB-CE1 4.3Å; I434-F462 HydrophobicContact CD1-CD1 4.17Å; I434-F462 HydrophobicContact CD1-CE1 3.92Å; I434-F462 HydrophobicContact CD1-CZ 4.23Å; I434-F462 HydrophobicContact CG1-CE1 4.4Å; I434-F462 HydrophobicContact CG1-CZ 4.46Å; I434-S480 PolarHBondContact O-OG 3.21Å; I434-L482 HydrophobicContact CG2-CD2 3.79Å; I434-I504 WeakPolarHBondContact O-CD1 3.36Å
435	Y	98.4	Very high	96.6	Very high	9 Å²	9	30.4 Å²	30.4	4%	0.035	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	145.6	173.3	-161.5	-114	0	0	0	111	Q399 L400 E437 F462 W464 N466 K469 I478 I504	Q399-Y435 WeakPolarHBondContact CA-O 3.38Å; L400-Y435 PolarHBondContact N-O 3.35Å; L400-Y435 PolarHBondContact O-N 3.2Å; Y435-E437 HydrophobicContact CE1-CB 4.08Å; Y435-F462 HydrophobicContact CD2-CZ 4.42Å; Y435-F462 HydrophobicContact CG-CZ 4.47Å; Y435-W464 AromaticContact CD1-CD1 3.71Å; Y435-W464 HydrophobicContact CD1-CG 4.43Å; Y435-W464 AromaticContact CD1-NE1 3.68Å; Y435-W464 AromaticContact CE1-CD1 3.44Å; Y435-W464 VanDerWaalsContact CE1-CD1 3.44Å; Y435-W464 HydrophobicContact CE1-CG 4.46Å; Y435-W464 AromaticContact CE1-NE1 3.57Å; Y435-N466 PolarHBondContact OH-ND2 2.87Å; Y435-K469 WeakPolarHBondContact OH-CE 3.41Å; Y435-I478 HydrophobicContact CD2-CD1 3.68Å; Y435-I478 HydrophobicContact CD2-CG2 4.39Å; Y435-I478 HydrophobicContact CE2-CD1 3.41Å; Y435-I478 VanDerWaalsContact CE2-CD1 3.41Å; Y435-I478 HydrophobicContact CE2-CG1 4.21Å; Y435-I478 HydrophobicContact CG-CD1 4.38Å; Y435-I504 HydrophobicContact CD2-CD1 4.43Å
436	E	97.5	Very high	96.7	Very high	52 Å²	52	30.2 Å²	30.2	24%	0.243	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	130.4	174.2	-178.8	177.1	81.1	0	0	108.5	K397 L398 Q399 K501	K397-E436 WeakPolarHBondContact CE-OE2 3.22Å; K397-E436 IonicContact NZ-OE2 3.88Å; K397-E436 PolarHBondContact NZ-OE2 3.22Å; L398-E436 WeakPolarHBondContact O-CA 3.11Å; Q399-E436 HydrophobicContact CG-CB 4.46Å; Q399-E436 HydrophobicContact CG-CG 4.09Å; Q399-E436 PolarHBondContact NE2-OE2 2.9Å; E436-K501 IonicContact OE1-NZ 3.09Å; E436-K501 PolarHBondContact OE1-NZ 3.02Å
437	E	96.3	Very high	96.6	Very high	11 Å²	11	30.4 Å²	30.4	5%	0.051	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149.8	173.7	64.5	175.1	-179.1	0	0	111.1	K397 L398 Y435 I443 N466	K397-E437 WeakPolarHBondContact CA-O 3.36Å; L398-E437 HydrophobicContact CB-CG 3.67Å; L398-E437 HydrophobicContact CD2-CG 4Å; L398-E437 HydrophobicContact CG-CG 4.34Å; L398-E437 PolarHBondContact N-O 3.22Å; L398-E437 PolarHBondContact O-N 3.31Å; Y435-E437 HydrophobicContact CE1-CB 4.08Å; E437-I443 HydrophobicContact CG-CD1 3.91Å; E437-N466 PolarHBondContact OE2-ND2 3.29Å; E437-N466 PolarHBondContact OE2-OD1 2.94Å
438	T	97.7	Very high	96.9	Very high	91 Å²	91	28.6 Å²	28.6	56%	0.558	16%	0.158	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.6	177.6	55.7	0	0	0	0	110	K396 K397	K396-T438 CarbonylContact O-C 3.59Å; K396-T438 WeakPolarHBondContact O-CA 3.39Å; K397-T438 HydrophobicContact CB-CG2 4.28Å; K397-T438 HydrophobicContact CG-CG2 4.04Å
439	T	98.2	Very high	97.2	Very high	19 Å²	19	26.9 Å²	26.9	12%	0.117	14%	0.144	C	C	.	.			trans	-145.2	149.6	178.4	-179.1	0	0	0	0	111.6	K396 V441 W442 I443 S468	K396-T439 WeakPolarHBondContact CB-O 3.28Å; K396-T439 PolarHBondContact O-N 3.13Å; T439-V441 VanDerWaalsContact C-N 3.27Å; T439-V441 PolarHBondContact OG1-N 3.36Å; T439-V441 VanDerWaalsContact OG1-N 3.11Å; T439-W442 WeakPolarHBondContact CG2-O 3.19Å; T439-I443 HydrophobicContact CG2-CD1 3.49Å; T439-I443 VanDerWaalsContact CG2-CD1 3.49Å; T439-I443 HydrophobicContact CG2-CG1 3.9Å; T439-S468 WeakPolarHBondContact CB-OG 3.24Å
440	D	97.3	Very high	97.4	Very high	146 Å²	146	28.7 Å²	28.7	78%	0.781	15%	0.15	S	C	*	.	S	Bend	trans	-83.2	-2.9	171.8	-67.9	-37.9	0	0	0	112.4	K715	D440-K715 WeakPolarHBondContact O-CE 3.26Å; D440-K715 PolarHBondContact O-NZ 3.22Å
441	V	98.2	Very high	97.5	Very high	31 Å²	31	28.7 Å²	28.7	19%	0.188	15%	0.15	C	C	.	.	S	Bend	trans	-102.8	-90.4	178.1	-172.7	0	0	0	0	109.9	T439 L708	T439-V441 VanDerWaalsContact C-N 3.27Å; T439-V441 PolarHBondContact OG1-N 3.36Å; T439-V441 VanDerWaalsContact OG1-N 3.11Å; V441-L708 HydrophobicContact CB-CD1 4Å; V441-L708 HydrophobicContact CB-CD2 3.97Å; V441-L708 HydrophobicContact CB-CG 3.81Å; V441-L708 HydrophobicContact CG1-CD1 3.71Å; V441-L708 HydrophobicContact CG1-CG 3.92Å; V441-L708 HydrophobicContact CG2-CD2 4.29Å; V441-L708 HydrophobicContact CG2-CG 4.08Å
442	W	98.4	Very high	97.5	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	16%	0.155	C	C	.	.			trans	-164.1	162.1	170.1	50.2	70.1	0	0	0	109.7	Q395 T439 E711 K715 R790 Y791	Q395-W442 CarbonylContact O-C 3.59Å; Q395-W442 WeakPolarHBondContact O-CA 3.38Å; T439-W442 WeakPolarHBondContact CG2-O 3.19Å; W442-E711 WeakPolarHBondContact CH2-O 3.19Å; W442-E711 HydrophobicContact CZ2-CB 4.04Å; W442-E711 HydrophobicContact CZ2-CG 3.8Å; W442-E711 PolarHBondContact NE1-OE2 3.44Å; W442-E711 VanDerWaalsContact NE1-OE2 3.09Å; W442-K715 HydrophobicContact CE3-CB 4.48Å; W442-K715 HydrophobicContact CE3-CG 4.37Å; W442-K715 HydrophobicContact CH2-CB 4.47Å; W442-K715 HydrophobicContact CZ3-CB 3.69Å; W442-K715 HydrophobicContact CZ3-CG 4.03Å; W442-R790 HydrophobicContact CB-CG 3.74Å; W442-R790 HydrophobicContact CD2-CG 4.44Å; W442-R790 HydrophobicContact CG-CG 3.95Å; W442-Y791 AromaticContact CD2-CD1 3.85Å; W442-Y791 HydrophobicContact CD2-CD1 3.85Å; W442-Y791 AromaticContact CD2-CE1 3.93Å; W442-Y791 HydrophobicContact CD2-CE1 3.93Å; W442-Y791 AromaticContact CE2-CD1 3.86Å; W442-Y791 AromaticContact CE2-CE1 3.63Å; W442-Y791 AromaticContact CE3-CD1 3.74Å; W442-Y791 HydrophobicContact CE3-CD1 3.74Å; W442-Y791 HydrophobicContact CE3-CE1 4.3Å; W442-Y791 HydrophobicContact CG-CE1 4.5Å; W442-Y791 AromaticContact CH2-CD1 3.65Å; W442-Y791 HydrophobicContact CH2-CD1 3.65Å; W442-Y791 HydrophobicContact CH2-CE1 4.12Å; W442-Y791 AromaticContact CZ2-CD1 3.78Å; W442-Y791 HydrophobicContact CZ2-CD1 3.78Å; W442-Y791 AromaticContact CZ2-CE1 3.74Å; W442-Y791 HydrophobicContact CZ2-CE1 3.74Å; W442-Y791 AromaticContact CZ3-CD1 3.64Å; W442-Y791 HydrophobicContact CZ3-CD1 3.64Å; W442-Y791 HydrophobicContact CZ3-CE1 4.39Å; W442-Y791 AromaticContact NE1-CE1 4Å
443	I	98.6	Very high	97.3	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.015	18%	0.175	C	C	.	.			trans	-90.7	119.5	174.8	-59.9	-64.2	0	0	0	110	L391 Q395 L398 E437 T439 V445	L391-I443 HydrophobicContact CD2-CB 4.04Å; L391-I443 HydrophobicContact CD2-CG1 4.32Å; L391-I443 HydrophobicContact CD2-CG2 3.99Å; Q395-I443 WeakPolarHBondContact O-CG1 3.14Å; Q395-I443 PolarHBondContact O-N 3.27Å; L398-I443 HydrophobicContact CB-CG1 4.3Å; L398-I443 HydrophobicContact CB-CG2 4.18Å; L398-I443 HydrophobicContact CD1-CG2 3.72Å; E437-I443 HydrophobicContact CG-CD1 3.91Å; T439-I443 HydrophobicContact CG2-CD1 3.49Å; T439-I443 VanDerWaalsContact CG2-CD1 3.49Å; T439-I443 HydrophobicContact CG2-CG1 3.9Å; I443-V445 PolarHBondContact O-N 3.31Å
444	N	98	Very high	97	Very high	22 Å²	22	34.6 Å²	34.6	12%	0.118	18%	0.18	C	C	.	.			trans	-83	103.2	167.4	-79.2	-47	0	0	0	109.9	E467 R520 E711	N444-E467 PolarHBondContact ND2-OE2 3.21Å; N444-R520 PolarHBondContact OD1-NH1 3.11Å; N444-E711 PolarHBondContact ND2-OE2 2.77Å
445	V	96.8	Very high	96.4	Very high	12 Å²	12	41.1 Å²	41.1	7%	0.073	22%	0.22	C	C	.	.			trans	-61.4	138	177.1	176.5	0	0	0	0	111	F273 A375 R376 L391 I443 R520	F273-V445 HydrophobicContact CD1-CB 4.45Å; F273-V445 HydrophobicContact CD1-CG2 3.84Å; F273-V445 HydrophobicContact CE1-CG2 4.17Å; A375-V445 HydrophobicContact CB-CG1 3.88Å; A375-V445 HydrophobicContact CB-CG2 3.9Å; R376-V445 HydrophobicContact CG-CG1 4.35Å; L391-V445 HydrophobicContact CD1-CG2 3.51Å; I443-V445 PolarHBondContact O-N 3.31Å; V445-R520 WeakPolarHBondContact O-CG 3.25Å
446	H	96.4	Very high	96	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.056	24%	0.235	C	C	.	.			trans	-134.1	168.1	-179.4	63.1	69.4	0	0	0	113.2	I448 W464 V465 S519 R520	H446-I448 PolarHBondContact CE1-O 2.88Å; H446-I448 PolarHBondContact ND1-N 3.4Å; H446-I448 PolarHBondContact ND1-O 3.33Å; H446-W464 AromaticContact CE1-CD2 3.87Å; H446-W464 AromaticContact CE1-CE2 3.57Å; H446-W464 AromaticContact CE1-CE3 4Å; H446-W464 AromaticContact CE1-CH2 3.57Å; H446-W464 AromaticContact CE1-CZ2 3.4Å; H446-W464 VanDerWaalsContact CE1-CZ2 3.4Å; H446-W464 WeakPolarHBondContact CE1-CZ2 3.48Å; H446-W464 AromaticContact CE1-CZ3 3.89Å; H446-W464 AromaticContact NE2-CE2 3.59Å; H446-W464 AromaticContact NE2-CZ2 3.48Å; H446-W464 WeakPolarHBondContact NE2-CZ2 3.46Å; H446-W464 AromaticContact NE2-NE1 3.85Å; H446-V465 PolarHBondContact NE2-O 3.11Å; H446-S519 WeakPolarHBondContact CA-O 3.25Å; H446-S519 VanDerWaalsContact CB-O 3.29Å; H446-S519 WeakPolarHBondContact CB-O 3.25Å; H446-S519 WeakPolarHBondContact CB-OG 3.41Å; H446-R520 HydrophobicContact CB-CG 4.49Å
447	D	93.3	Very high	95.4	Very high	73 Å²	73	48.9 Å²	48.9	39%	0.39	26%	0.261	S	S	.	.	S	Bend	trans	-94.8	-6.3	-176.6	-59.7	-39.9	0	0	0	113.6	R376 F449 S519	R376-D447 IonicContact CZ-OD1 2.77Å; R376-D447 IonicContact NE-OD1 3.13Å; R376-D447 PolarHBondContact NE-OD1 2.99Å; R376-D447 IonicContact NH2-OD1 2.79Å; R376-D447 PolarHBondContact NH2-OD1 3.41Å; D447-F449 PolarHBondContact O-N 3.03Å; D447-S519 PolarHBondContact N-O 3.27Å
448	I	97.5	Very high	95.3	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	28%	0.28	C	S	.	.			trans	-81.4	107.8	-174.7	-64.2	168.7	0	0	0	111.7	H446 V465 L475 V517 I525	H446-I448 PolarHBondContact CE1-O 2.88Å; H446-I448 PolarHBondContact ND1-N 3.4Å; H446-I448 PolarHBondContact ND1-O 3.33Å; I448-V465 HydrophobicContact CB-CG2 3.89Å; I448-V465 HydrophobicContact CD1-CG2 3.73Å; I448-V465 HydrophobicContact CG1-CG2 4.41Å; I448-V465 HydrophobicContact CG2-CG2 3.78Å; I448-L475 HydrophobicContact CG2-CD2 4.27Å; I448-V517 HydrophobicContact CD1-CG1 4.35Å; I448-I525 HydrophobicContact CD1-CG2 3.78Å; I448-I525 HydrophobicContact CG1-CG2 4.21Å; I448-I525 HydrophobicContact CG2-CD1 3.65Å; I448-I525 HydrophobicContact CG2-CG1 3.92Å; I448-I525 HydrophobicContact CG2-CG2 4.11Å
449	F	97.6	Very high	95.2	Very high	28 Å²	28	50.3 Å²	50.3	12%	0.123	26%	0.264	C	S	.	.			trans	-144.5	120.5	162.6	176.4	-133.1	0	0	0	108.7	W387 L400 I434 D447 P451 F460 F462 W464	W387-F449 HydrophobicContact CB-CE1 4.34Å; W387-F449 AromaticContact CD1-CE1 3.61Å; W387-F449 AromaticContact CD2-CD1 3.72Å; W387-F449 HydrophobicContact CD2-CD1 3.72Å; W387-F449 AromaticContact CD2-CE1 3.66Å; W387-F449 HydrophobicContact CD2-CE1 3.66Å; W387-F449 AromaticContact CE2-CD1 3.54Å; W387-F449 AromaticContact CE2-CE1 3.72Å; W387-F449 HydrophobicContact CE3-CD1 4.1Å; W387-F449 HydrophobicContact CE3-CE1 4.32Å; W387-F449 HydrophobicContact CG-CD1 4.2Å; W387-F449 AromaticContact CG-CE1 3.63Å; W387-F449 HydrophobicContact CG-CE1 3.63Å; W387-F449 HydrophobicContact CH2-CD1 4.2Å; W387-F449 AromaticContact CZ2-CD1 3.81Å; W387-F449 HydrophobicContact CZ2-CD1 3.81Å; W387-F449 HydrophobicContact CZ2-CE1 4.45Å; W387-F449 HydrophobicContact CZ3-CD1 4.33Å; W387-F449 AromaticContact NE1-CD1 3.83Å; W387-F449 AromaticContact NE1-CE1 3.62Å; L400-F449 HydrophobicContact CD2-CD2 3.92Å; L400-F449 HydrophobicContact CD2-CE2 3.65Å; L400-F449 HydrophobicContact CD2-CZ 4.21Å; I434-F449 HydrophobicContact CD1-CE2 4.5Å; I434-F449 HydrophobicContact CD1-CZ 4.41Å; D447-F449 PolarHBondContact O-N 3.03Å; F449-P451 HydrophobicContact CD1-CG 4.37Å; F449-P451 HydrophobicContact CE1-CB 4.1Å; F449-P451 HydrophobicContact CE1-CG 3.82Å; F449-P451 HydrophobicContact CE2-CB 4.25Å; F449-P451 HydrophobicContact CZ-CB 3.73Å; F449-P451 HydrophobicContact CZ-CG 3.98Å; F449-F460 HydrophobicContact CZ-CE1 4.16Å; F449-F460 HydrophobicContact CZ-CZ 4.32Å; F449-F462 HydrophobicContact CD2-CB 4.32Å; F449-F462 HydrophobicContact CD2-CD2 4.12Å; F449-F462 HydrophobicContact CE2-CB 3.67Å; F449-F462 AromaticContact CE2-CD2 3.78Å; F449-F462 HydrophobicContact CE2-CD2 3.78Å; F449-F462 AromaticContact CE2-CG 3.82Å; F449-F462 HydrophobicContact CE2-CG 3.82Å; F449-W464 HydrophobicContact CB-CE3 4.06Å; F449-W464 HydrophobicContact CB-CZ3 3.81Å; F449-W464 AromaticContact CD2-CE3 3.87Å; F449-W464 HydrophobicContact CD2-CE3 3.87Å; F449-W464 HydrophobicContact CD2-CZ3 4.15Å; F449-W464 HydrophobicContact CG-CE3 4.29Å; F449-W464 HydrophobicContact CG-CZ3 4.17Å
450	Y	98.2	Very high	95.2	Very high	50 Å²	50	49.6 Å²	49.6	20%	0.196	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	96.5	175.3	-170.1	-87	0	0	0	110.4	F452 F462 I463 V527 E529	Y450-F452 HydrophobicContact CD1-CD1 4.26Å; Y450-F452 HydrophobicContact CD1-CE1 4.1Å; Y450-F452 HydrophobicContact CD1-CE2 4.45Å; Y450-F452 HydrophobicContact CD1-CG 4.5Å; Y450-F452 HydrophobicContact CD1-CZ 4.21Å; Y450-F452 AromaticContact CE1-CD1 3.79Å; Y450-F452 HydrophobicContact CE1-CD1 3.79Å; Y450-F452 AromaticContact CE1-CE1 3.77Å; Y450-F452 HydrophobicContact CE1-CE1 3.77Å; Y450-F452 HydrophobicContact CE1-CG 4.36Å; Y450-F452 HydrophobicContact CE1-CZ 4.34Å; Y450-F462 CarbonylContact O-C 3.6Å; Y450-F462 WeakPolarHBondContact O-CA 3.26Å; Y450-F462 WeakPolarHBondContact O-CB 3.3Å; Y450-I463 PolarHBondContact N-O 3.47Å; Y450-I463 PolarHBondContact O-N 2.87Å; Y450-V527 HydrophobicContact CD1-CB 4.03Å; Y450-V527 HydrophobicContact CD1-CG1 4.07Å; Y450-V527 HydrophobicContact CD1-CG2 3.81Å; Y450-V527 HydrophobicContact CD2-CB 4.02Å; Y450-V527 HydrophobicContact CD2-CG2 3.7Å; Y450-V527 HydrophobicContact CE1-CB 3.81Å; Y450-V527 HydrophobicContact CE1-CG1 3.73Å; Y450-V527 HydrophobicContact CE1-CG2 4.13Å; Y450-V527 HydrophobicContact CE2-CB 3.77Å; Y450-V527 HydrophobicContact CE2-CG2 4.01Å; Y450-V527 HydrophobicContact CG-CB 4.15Å; Y450-V527 HydrophobicContact CG-CG2 3.6Å; Y450-E529 WeakPolarHBondContact CE1-OE1 3.33Å; Y450-E529 PolarHBondContact OH-OE1 3.31Å
451	P	97.7	Very high	95.2	Very high	9 Å²	9	44.2 Å²	44.2	6%	0.058	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	126.7	172.9	30.5	-31.5	0	0	0	110.3	I381 F449 F460	I381-P451 WeakPolarHBondContact CD1-O 3.39Å; I381-P451 HydrophobicContact CG1-CG 4.39Å; F449-P451 HydrophobicContact CD1-CG 4.37Å; F449-P451 HydrophobicContact CE1-CB 4.1Å; F449-P451 HydrophobicContact CE1-CG 3.82Å; F449-P451 HydrophobicContact CE2-CB 4.25Å; F449-P451 HydrophobicContact CZ-CB 3.73Å; F449-P451 HydrophobicContact CZ-CG 3.98Å; P451-F460 HydrophobicContact CB-CE1 4.25Å; P451-F460 HydrophobicContact CB-CE2 4.39Å; P451-F460 HydrophobicContact CB-CZ 3.58Å
452	F	97.1	Very high	95.2	Very high	25 Å²	25	42.7 Å²	42.7	11%	0.11	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-73.8	156.2	169.4	-66.9	-81.8	0	0	0	110.2	Y450 Q454 T461 I463 V527 E529 Y553	Y450-F452 HydrophobicContact CD1-CD1 4.26Å; Y450-F452 HydrophobicContact CD1-CE1 4.1Å; Y450-F452 HydrophobicContact CD1-CE2 4.45Å; Y450-F452 HydrophobicContact CD1-CG 4.5Å; Y450-F452 HydrophobicContact CD1-CZ 4.21Å; Y450-F452 AromaticContact CE1-CD1 3.79Å; Y450-F452 HydrophobicContact CE1-CD1 3.79Å; Y450-F452 AromaticContact CE1-CE1 3.77Å; Y450-F452 HydrophobicContact CE1-CE1 3.77Å; Y450-F452 HydrophobicContact CE1-CG 4.36Å; Y450-F452 HydrophobicContact CE1-CZ 4.34Å; F452-Q454 PolarHBondContact O-N 3.38Å; F452-T461 HydrophobicContact CD2-CG2 3.76Å; F452-T461 WeakPolarHBondContact CD2-O 3.41Å; F452-T461 HydrophobicContact CE2-CG2 4.16Å; F452-T461 PolarHBondContact N-O 2.79Å; F452-I463 HydrophobicContact CE2-CD1 4.3Å; F452-I463 HydrophobicContact CE2-CG1 3.79Å; F452-I463 HydrophobicContact CZ-CD1 3.97Å; F452-I463 HydrophobicContact CZ-CG1 3.99Å; F452-V527 HydrophobicContact CE1-CG1 3.97Å; F452-V527 HydrophobicContact CZ-CG1 4.22Å; F452-E529 HydrophobicContact CD1-CG 4.26Å; F452-E529 HydrophobicContact CE1-CG 4.14Å; F452-Y553 HydrophobicContact CE1-CE1 4.36Å; F452-Y553 AromaticContact CE1-CE2 3.93Å; F452-Y553 HydrophobicContact CE1-CE2 3.93Å; F452-Y553 AromaticContact CE1-CZ 3.76Å; F452-Y553 HydrophobicContact CZ-CD2 4.03Å; F452-Y553 HydrophobicContact CZ-CE1 4.36Å; F452-Y553 AromaticContact CZ-CE2 3.77Å; F452-Y553 HydrophobicContact CZ-CE2 3.77Å; F452-Y553 HydrophobicContact CZ-CG 4.44Å; F452-Y553 AromaticContact CZ-CZ 3.93Å
453	I	93.8	Very high	95.2	Very high	97 Å²	97	42.7 Å²	42.7	50%	0.497	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-61.7	128.7	171.5	-62.8	174.4	0	0	0	108.4	T455	I453-T455 PolarHBondContact O-N 2.8Å
454	Q	91.1	Very high	95.2	Very high	32 Å²	32	42.7 Å²	42.7	15%	0.15	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-68.1	124.6	-179.2	-177.4	171.3	50.9	0	0	110.7	F452 T456 E457 E459	F452-Q454 PolarHBondContact O-N 3.38Å; Q454-T456 WeakPolarHBondContact CG-O 3.46Å; Q454-T456 PolarHBondContact NE2-O 3Å; Q454-E457 PolarHBondContact NE2-O 3.42Å; Q454-E459 WeakPolarHBondContact CG-O 3.26Å; Q454-E459 PolarHBondContact NE2-O 2.92Å
455	T	87.3	Confident	95.2	Very high	136 Å²	136	41.7 Å²	41.7	83%	0.834	22%	0.217	S	C	*	.	S	Bend	trans	-101.5	-23.5	179.2	52.9	0	0	0	0	113.9	I453	I453-T455 PolarHBondContact O-N 2.8Å
456	T	89.9	Confident	95.2	Very high	59 Å²	59	41.4 Å²	41.4	36%	0.362	22%	0.215	S	C	.	.	S	Bend	trans	-128.3	150.1	174.4	71	0	0	0	0	109.3	Q454 D458 E459	Q454-T456 WeakPolarHBondContact CG-O 3.46Å; Q454-T456 PolarHBondContact NE2-O 3Å; T456-D458 VanDerWaalsContact CB-OD1 3.22Å; T456-D458 WeakPolarHBondContact CB-OD1 3.23Å; T456-D458 PolarHBondContact O-N 3.06Å; T456-D458 PolarHBondContact OG1-OD1 3.22Å; T456-E459 WeakPolarHBondContact OG1-CB 3.46Å; T456-E459 PolarHBondContact OG1-N 2.73Å
457	E	85.1	Confident	95.2	Very high	165 Å²	165	41.9 Å²	41.9	77%	0.771	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.7	-174	-65.4	-169.1	159.1	0	0	113.7	Q454	Q454-E457 PolarHBondContact NE2-O 3.42Å
458	D	92.4	Very high	95.4	Very high	84 Å²	84	40 Å²	40	45%	0.449	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-9.9	-170.7	60.6	-26	0	0	0	114.4	T456 L481 L482	T456-D458 VanDerWaalsContact CB-OD1 3.22Å; T456-D458 WeakPolarHBondContact CB-OD1 3.23Å; T456-D458 PolarHBondContact O-N 3.06Å; T456-D458 PolarHBondContact OG1-OD1 3.22Å; D458-L481 CarbonylContact O-C 3.5Å; D458-L481 WeakPolarHBondContact O-CA 3.44Å; D458-L482 PolarHBondContact O-N 2.94Å
459	E	96.1	Very high	95.3	Very high	49 Å²	49	44.6 Å²	44.6	23%	0.229	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.3	-178.5	-56.9	-171.4	-175.5	0	0	111.3	Q454 T456 T479 L481 K505	Q454-E459 WeakPolarHBondContact CG-O 3.26Å; Q454-E459 PolarHBondContact NE2-O 2.92Å; T456-E459 WeakPolarHBondContact OG1-CB 3.46Å; T456-E459 PolarHBondContact OG1-N 2.73Å; E459-T479 HydrophobicContact CB-CG2 4.11Å; E459-L481 HydrophobicContact CG-CD2 3.95Å; E459-K505 IonicContact OE1-NZ 3.32Å; E459-K505 PolarHBondContact OE1-NZ 2.94Å; E459-K505 IonicContact OE2-NZ 2.68Å; E459-K505 PolarHBondContact OE2-NZ 2.77Å
460	F	97.8	Very high	95.2	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	114.1	175.9	-170.7	-98.5	0	0	0	110.2	T380 L402 I434 F449 P451 F462 T479 S480 L482	T380-F460 HydrophobicContact CG2-CE2 3.86Å; T380-F460 HydrophobicContact CG2-CZ 3.82Å; L402-F460 HydrophobicContact CD1-CD1 3.95Å; L402-F460 HydrophobicContact CD1-CD2 3.92Å; L402-F460 HydrophobicContact CD1-CE1 4Å; L402-F460 HydrophobicContact CD1-CE2 3.96Å; L402-F460 HydrophobicContact CD1-CG 3.9Å; L402-F460 HydrophobicContact CD1-CZ 3.99Å; L402-F460 HydrophobicContact CD2-CE1 4.2Å; L402-F460 HydrophobicContact CD2-CZ 4.04Å; I434-F460 HydrophobicContact CD1-CD1 3.68Å; I434-F460 HydrophobicContact CD1-CE1 3.47Å; I434-F460 VanDerWaalsContact CD1-CE1 3.47Å; I434-F460 HydrophobicContact CG2-CD1 4.4Å; F449-F460 HydrophobicContact CZ-CE1 4.16Å; F449-F460 HydrophobicContact CZ-CZ 4.32Å; P451-F460 HydrophobicContact CB-CE1 4.25Å; P451-F460 HydrophobicContact CB-CE2 4.39Å; P451-F460 HydrophobicContact CB-CZ 3.58Å; F460-F462 AromaticContact CD1-CD1 3.64Å; F460-F462 HydrophobicContact CD1-CD1 3.64Å; F460-F462 HydrophobicContact CD1-CE1 4.2Å; F460-F462 HydrophobicContact CE1-CB 4.25Å; F460-F462 AromaticContact CE1-CD1 3.82Å; F460-F462 HydrophobicContact CE1-CD1 3.82Å; F460-F462 HydrophobicContact CE1-CG 4.3Å; F460-T479 CarbonylContact O-C 3.26Å; F460-T479 WeakPolarHBondContact O-CA 3.4Å; F460-S480 PolarHBondContact N-O 3.03Å; F460-S480 PolarHBondContact O-N 3.05Å; F460-L482 HydrophobicContact CB-CD1 4.03Å; F460-L482 HydrophobicContact CB-CD2 3.97Å; F460-L482 HydrophobicContact CB-CG 3.95Å
461	T	98.3	Very high	95.2	Very high	33 Å²	33	45.4 Å²	45.4	20%	0.202	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.9	-178.1	-54.4	0	0	0	0	111	F452 K477 I478 T479	F452-T461 HydrophobicContact CD2-CG2 3.76Å; F452-T461 WeakPolarHBondContact CD2-O 3.41Å; F452-T461 HydrophobicContact CE2-CG2 4.16Å; F452-T461 PolarHBondContact N-O 2.79Å; T461-K477 HydrophobicContact CG2-CD 4.49Å; T461-K477 HydrophobicContact CG2-CG 4.04Å; T461-I478 CarbonylContact C-O 3.55Å; T461-I478 VanDerWaalsContact CA-O 3.24Å; T461-I478 WeakPolarHBondContact CA-O 3.48Å; T461-T479 WeakPolarHBondContact CG2-OG1 3.45Å; T461-T479 WeakPolarHBondContact OG1-CG2 3.06Å; T461-T479 PolarHBondContact OG1-OG1 3.21Å
462	F	98.6	Very high	95.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	161.5	179.8	58.2	-79.7	0	0	0	112.2	L400 I434 Y435 F449 Y450 F460 W464 K477 I478	L400-F462 HydrophobicContact CD2-CD2 4.25Å; L400-F462 HydrophobicContact CD2-CE2 3.89Å; L400-F462 HydrophobicContact CD2-CZ 4.36Å; I434-F462 HydrophobicContact CB-CE1 4.3Å; I434-F462 HydrophobicContact CD1-CD1 4.17Å; I434-F462 HydrophobicContact CD1-CE1 3.92Å; I434-F462 HydrophobicContact CD1-CZ 4.23Å; I434-F462 HydrophobicContact CG1-CE1 4.4Å; I434-F462 HydrophobicContact CG1-CZ 4.46Å; Y435-F462 HydrophobicContact CD2-CZ 4.42Å; Y435-F462 HydrophobicContact CG-CZ 4.47Å; F449-F462 HydrophobicContact CD2-CB 4.32Å; F449-F462 HydrophobicContact CD2-CD2 4.12Å; F449-F462 HydrophobicContact CE2-CB 3.67Å; F449-F462 AromaticContact CE2-CD2 3.78Å; F449-F462 HydrophobicContact CE2-CD2 3.78Å; F449-F462 AromaticContact CE2-CG 3.82Å; F449-F462 HydrophobicContact CE2-CG 3.82Å; Y450-F462 CarbonylContact O-C 3.6Å; Y450-F462 WeakPolarHBondContact O-CA 3.26Å; Y450-F462 WeakPolarHBondContact O-CB 3.3Å; F460-F462 AromaticContact CD1-CD1 3.64Å; F460-F462 HydrophobicContact CD1-CD1 3.64Å; F460-F462 HydrophobicContact CD1-CE1 4.2Å; F460-F462 HydrophobicContact CE1-CB 4.25Å; F460-F462 AromaticContact CE1-CD1 3.82Å; F460-F462 HydrophobicContact CE1-CD1 3.82Å; F460-F462 HydrophobicContact CE1-CG 4.3Å; F462-W464 HydrophobicContact CD2-CB 3.93Å; F462-W464 HydrophobicContact CE2-CB 3.83Å; F462-W464 HydrophobicContact CE2-CG 4.34Å; F462-K477 CarbonylContact O-C 3.38Å; F462-K477 WeakPolarHBondContact O-CA 3.49Å; F462-I478 HydrophobicContact CD1-CB 4.46Å; F462-I478 HydrophobicContact CD2-CB 4.47Å; F462-I478 HydrophobicContact CD2-CD1 4.48Å; F462-I478 HydrophobicContact CE1-CB 3.93Å; F462-I478 HydrophobicContact CE1-CG2 3.73Å; F462-I478 HydrophobicContact CE2-CB 3.95Å; F462-I478 HydrophobicContact CE2-CD1 3.68Å; F462-I478 HydrophobicContact CE2-CG1 4.45Å; F462-I478 HydrophobicContact CE2-CG2 4.31Å; F462-I478 HydrophobicContact CZ-CB 3.64Å; F462-I478 HydrophobicContact CZ-CD1 3.98Å; F462-I478 HydrophobicContact CZ-CG1 4.44Å; F462-I478 HydrophobicContact CZ-CG2 3.52Å; F462-I478 PolarHBondContact N-O 3.42Å; F462-I478 PolarHBondContact O-N 3.29Å
463	I	98.8	Very high	95.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.2	165.6	-57.5	-179.4	0	0	0	108.9	Y450 F452 L475 Y476 L510 I525 V527 V534 Y553	Y450-I463 PolarHBondContact N-O 3.47Å; Y450-I463 PolarHBondContact O-N 2.87Å; F452-I463 HydrophobicContact CE2-CD1 4.3Å; F452-I463 HydrophobicContact CE2-CG1 3.79Å; F452-I463 HydrophobicContact CZ-CD1 3.97Å; F452-I463 HydrophobicContact CZ-CG1 3.99Å; I463-L475 HydrophobicContact CG2-CD2 3.86Å; I463-Y476 VanDerWaalsContact CA-O 3.32Å; I463-Y476 WeakPolarHBondContact CA-O 3.48Å; I463-L510 HydrophobicContact CD1-CD1 4.24Å; I463-L510 HydrophobicContact CG1-CD1 4.49Å; I463-L510 HydrophobicContact CG2-CD1 4.38Å; I463-I525 HydrophobicContact CB-CD1 4.09Å; I463-I525 HydrophobicContact CG2-CD1 3.73Å; I463-V527 HydrophobicContact CD1-CG1 4.4Å; I463-V527 HydrophobicContact CD1-CG2 3.96Å; I463-V534 HydrophobicContact CD1-CB 4.3Å; I463-V534 HydrophobicContact CD1-CG2 4.31Å; I463-Y553 HydrophobicContact CD1-CD1 4.41Å; I463-Y553 HydrophobicContact CD1-CG 4.38Å
464	W	98.3	Very high	95.5	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.015	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	168.3	179.5	-169.7	-108	0	0	0	110.7	V389 L398 L400 Y435 H446 F449 F462 L475 Y476 I478	V389-W464 HydrophobicContact CG1-CH2 4.46Å; V389-W464 HydrophobicContact CG2-CH2 3.7Å; V389-W464 HydrophobicContact CG2-CZ3 4.25Å; L398-W464 HydrophobicContact CD1-CZ2 4.3Å; L398-W464 HydrophobicContact CD2-CZ2 3.87Å; L400-W464 HydrophobicContact CD1-CZ3 4.22Å; L400-W464 HydrophobicContact CD2-CD2 4.44Å; L400-W464 HydrophobicContact CD2-CE3 3.88Å; L400-W464 HydrophobicContact CD2-CZ3 3.95Å; Y435-W464 AromaticContact CD1-CD1 3.71Å; Y435-W464 HydrophobicContact CD1-CG 4.43Å; Y435-W464 AromaticContact CD1-NE1 3.68Å; Y435-W464 AromaticContact CE1-CD1 3.44Å; Y435-W464 VanDerWaalsContact CE1-CD1 3.44Å; Y435-W464 HydrophobicContact CE1-CG 4.46Å; Y435-W464 AromaticContact CE1-NE1 3.57Å; H446-W464 AromaticContact CE1-CD2 3.87Å; H446-W464 AromaticContact CE1-CE2 3.57Å; H446-W464 AromaticContact CE1-CE3 4Å; H446-W464 AromaticContact CE1-CH2 3.57Å; H446-W464 AromaticContact CE1-CZ2 3.4Å; H446-W464 VanDerWaalsContact CE1-CZ2 3.4Å; H446-W464 WeakPolarHBondContact CE1-CZ2 3.48Å; H446-W464 AromaticContact CE1-CZ3 3.89Å; H446-W464 AromaticContact NE2-CE2 3.59Å; H446-W464 AromaticContact NE2-CZ2 3.48Å; H446-W464 WeakPolarHBondContact NE2-CZ2 3.46Å; H446-W464 AromaticContact NE2-NE1 3.85Å; F449-W464 HydrophobicContact CB-CE3 4.06Å; F449-W464 HydrophobicContact CB-CZ3 3.81Å; F449-W464 AromaticContact CD2-CE3 3.87Å; F449-W464 HydrophobicContact CD2-CE3 3.87Å; F449-W464 HydrophobicContact CD2-CZ3 4.15Å; F449-W464 HydrophobicContact CG-CE3 4.29Å; F449-W464 HydrophobicContact CG-CZ3 4.17Å; F462-W464 HydrophobicContact CD2-CB 3.93Å; F462-W464 HydrophobicContact CE2-CB 3.83Å; F462-W464 HydrophobicContact CE2-CG 4.34Å; W464-L475 WeakPolarHBondContact O-CA 3.35Å; W464-Y476 PolarHBondContact N-O 3.45Å; W464-Y476 PolarHBondContact O-N 2.88Å; W464-I478 HydrophobicContact CB-CD1 3.77Å; W464-I478 HydrophobicContact CG-CD1 4.45Å
465	V	97.6	Very high	95.9	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.9	174.3	167.1	0	0	0	0	109.7	H446 I448 S473 H474 L475	H446-V465 PolarHBondContact NE2-O 3.11Å; I448-V465 HydrophobicContact CB-CG2 3.89Å; I448-V465 HydrophobicContact CD1-CG2 3.73Å; I448-V465 HydrophobicContact CG1-CG2 4.41Å; I448-V465 HydrophobicContact CG2-CG2 3.78Å; V465-S473 WeakPolarHBondContact CG1-OG 3.45Å; V465-H474 VanDerWaalsContact CA-O 3.25Å; V465-H474 WeakPolarHBondContact CA-O 3.19Å; V465-L475 HydrophobicContact CG2-CD2 3.56Å; V465-L475 HydrophobicContact CG2-CG 4.43Å
466	N	97.3	Very high	96.4	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.027	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	123.2	175.5	-170.6	-47.9	0	0	0	109.7	Y435 E437 S468 K469 H474 Y476	Y435-N466 PolarHBondContact OH-ND2 2.87Å; E437-N466 PolarHBondContact OE2-ND2 3.29Å; E437-N466 PolarHBondContact OE2-OD1 2.94Å; N466-S468 WeakPolarHBondContact OD1-CA 3.45Å; N466-S468 WeakPolarHBondContact OD1-CB 3.35Å; N466-S468 PolarHBondContact OD1-N 3.23Å; N466-K469 HydrophobicContact CB-CD 4.21Å; N466-K469 PolarHBondContact OD1-N 3.06Å; N466-H474 PolarHBondContact N-O 2.82Å; N466-H474 PolarHBondContact O-N 3.01Å; N466-Y476 HydrophobicContact CB-CD2 3.86Å; N466-Y476 HydrophobicContact CB-CE2 3.67Å
467	E	96.8	Very high	96.9	Very high	23 Å²	23	32.9 Å²	32.9	11%	0.107	17%	0.171	C	C	.	.	S	Bend	trans	-94.7	-31.5	174.8	-179.1	171.1	-119.4	0	0	112.3	N444 K469 T470 G471 F472 L708	N444-E467 PolarHBondContact ND2-OE2 3.21Å; E467-K469 PolarHBondContact O-N 3.35Å; E467-T470 PolarHBondContact O-N 2.94Å; E467-G471 CarbonylContact O-C 3.56Å; E467-G471 VanDerWaalsContact O-CA 3.26Å; E467-G471 WeakPolarHBondContact O-CA 3.41Å; E467-G471 PolarHBondContact O-N 3.33Å; E467-F472 PolarHBondContact O-N 3Å; E467-L708 HydrophobicContact CG-CB 3.8Å; E467-L708 HydrophobicContact CG-CD2 4.18Å; E467-L708 HydrophobicContact CG-CG 4.49Å
468	S	96.1	Very high	97.5	Very high	34 Å²	34	25 Å²	25	24%	0.238	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.2	-175.9	-49.8	0	0	0	0	113.9	T439 N466	T439-S468 WeakPolarHBondContact CB-OG 3.24Å; N466-S468 WeakPolarHBondContact OD1-CA 3.45Å; N466-S468 WeakPolarHBondContact OD1-CB 3.35Å; N466-S468 PolarHBondContact OD1-N 3.23Å
469	K	95.4	Very high	97.8	Very high	100 Å²	100	21.3 Å²	21.3	44%	0.435	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-40.2	-178.3	-80.6	175.9	-176.1	-89.9	0	113.9	Y435 N466 E467 Y476 E507	Y435-K469 WeakPolarHBondContact OH-CE 3.41Å; N466-K469 HydrophobicContact CB-CD 4.21Å; N466-K469 PolarHBondContact OD1-N 3.06Å; E467-K469 PolarHBondContact O-N 3.35Å; K469-Y476 HydrophobicContact CD-CD1 4.46Å; K469-Y476 HydrophobicContact CD-CE1 3.8Å; K469-Y476 HydrophobicContact CD-CE2 4.23Å; K469-E507 WeakPolarHBondContact CE-OE1 3.31Å; K469-E507 WeakPolarHBondContact CE-OE2 3.39Å; K469-E507 IonicContact NZ-OE1 2.66Å; K469-E507 PolarHBondContact NZ-OE1 2.84Å; K469-E507 IonicContact NZ-OE2 2.63Å; K469-E507 PolarHBondContact NZ-OE2 3.41Å
470	T	96.9	Very high	97.9	Very high	75 Å²	75	19 Å²	19	46%	0.46	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	-7.6	-172.9	63.1	0	0	0	0	113.1	E467 F472	E467-T470 PolarHBondContact O-N 2.94Å; T470-F472 VanDerWaalsContact C-N 3.27Å; T470-F472 PolarHBondContact OG1-N 3.12Å; T470-F472 PolarHBondContact OG1-O 3.45Å; T470-F472 VanDerWaalsContact OG1-O 3.08Å
471	G	97.5	Very high	97.9	Very high	19 Å²	19	20.8 Å²	20.8	20%	0.196	11%	0.113	C	C	.	.	S	Bend	trans	82.4	-0.3	-168.2	0	0	0	0	0	113.7	E467 G707 L708	E467-G471 CarbonylContact O-C 3.56Å; E467-G471 VanDerWaalsContact O-CA 3.26Å; E467-G471 WeakPolarHBondContact O-CA 3.41Å; E467-G471 PolarHBondContact O-N 3.33Å; G471-G707 CarbonylContact O-C 3.57Å; G471-G707 VanDerWaalsContact O-CA 3.24Å; G471-G707 WeakPolarHBondContact O-CA 3.39Å; G471-L708 PolarHBondContact O-N 2.94Å
472	F	98.5	Very high	97.8	Very high	45 Å²	45	19.5 Å²	19.5	20%	0.197	11%	0.105	C	C	.	.	S	Bend	trans	-132.8	140.9	176.5	-72.3	-90.3	0	0	0	110.9	E467 T470 H474 E514 W515 E516	E467-F472 PolarHBondContact O-N 3Å; T470-F472 VanDerWaalsContact C-N 3.27Å; T470-F472 PolarHBondContact OG1-N 3.12Å; T470-F472 PolarHBondContact OG1-O 3.45Å; T470-F472 VanDerWaalsContact OG1-O 3.08Å; F472-H474 PolarHBondContact O-N 2.7Å; F472-E514 HydrophobicContact CE2-CB 4.17Å; F472-E514 HydrophobicContact CE2-CG 4.35Å; F472-E514 HydrophobicContact CZ-CB 4.11Å; F472-W515 WeakPolarHBondContact CB-O 3.37Å; F472-E516 HydrophobicContact CD1-CB 4.49Å
473	S	98.1	Very high	97.3	Very high	7 Å²	7	25.8 Å²	25.8	5%	0.049	13%	0.134	C	C	.	.			trans	-64.7	114.3	179.7	-154.6	0	0	0	0	111.7	V465 V517	V465-S473 WeakPolarHBondContact CG1-OG 3.45Å; S473-V517 WeakPolarHBondContact CB-O 3.22Å; S473-V517 WeakPolarHBondContact O-CB 3.33Å; S473-V517 PolarHBondContact O-N 2.99Å; S473-V517 PolarHBondContact OG-O 3.36Å
474	H	98.6	Very high	96.6	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	156.1	179.3	-75.1	-43.9	0	0	0	113.4	V465 N466 F472 Y476 T511 S512 G513 W515	V465-H474 VanDerWaalsContact CA-O 3.25Å; V465-H474 WeakPolarHBondContact CA-O 3.19Å; N466-H474 PolarHBondContact N-O 2.82Å; N466-H474 PolarHBondContact O-N 3.01Å; F472-H474 PolarHBondContact O-N 2.7Å; H474-Y476 HydrophobicContact CB-CE2 3.87Å; H474-Y476 WeakPolarHBondContact O-CD2 3.22Å; H474-Y476 VanDerWaalsContact O-CE2 3.26Å; H474-Y476 WeakPolarHBondContact O-CE2 3.26Å; H474-T511 WeakPolarHBondContact CA-OG1 3.31Å; H474-T511 WeakPolarHBondContact CB-O 3.09Å; H474-T511 WeakPolarHBondContact CB-OG1 3.41Å; H474-T511 VanDerWaalsContact CG-O 3.29Å; H474-T511 PolarHBondContact ND1-OG1 2.82Å; H474-S512 VanDerWaalsContact CE1-C 3.49Å; H474-S512 WeakPolarHBondContact NE2-CA 3.39Å; H474-G513 PolarHBondContact CE1-N 2.91Å; H474-G513 PolarHBondContact NE2-N 2.72Å; H474-G513 PolarHBondContact NE2-O 3.44Å; H474-W515 AromaticContact CE1-CE2 3.98Å; H474-W515 PolarHBondContact CE1-O 2.66Å
475	L	98.8	Very high	95.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.9	177.8	-68.5	167.6	0	0	0	111.7	I448 I463 W464 V465 L510 T511 V517 I525 V534 F536	I448-L475 HydrophobicContact CG2-CD2 4.27Å; I463-L475 HydrophobicContact CG2-CD2 3.86Å; W464-L475 WeakPolarHBondContact O-CA 3.35Å; V465-L475 HydrophobicContact CG2-CD2 3.56Å; V465-L475 HydrophobicContact CG2-CG 4.43Å; L475-L510 HydrophobicContact CB-CB 3.97Å; L475-L510 HydrophobicContact CB-CD1 4.24Å; L475-L510 HydrophobicContact CB-CG 4.46Å; L475-L510 WeakPolarHBondContact O-CB 3.46Å; L475-L510 PolarHBondContact O-N 3.41Å; L475-T511 HydrophobicContact CB-CG2 4.33Å; L475-T511 HydrophobicContact CD1-CG2 4.24Å; L475-T511 PolarHBondContact N-OG1 2.92Å; L475-V517 HydrophobicContact CD1-CG1 4.42Å; L475-V517 HydrophobicContact CD1-CG2 4.45Å; L475-V517 HydrophobicContact CD2-CG1 4.43Å; L475-V517 HydrophobicContact CG-CG1 4.16Å; L475-V517 HydrophobicContact CG-CG2 4.18Å; L475-I525 HydrophobicContact CD1-CG2 4.31Å; L475-I525 HydrophobicContact CD2-CD1 4.48Å; L475-I525 HydrophobicContact CD2-CG2 3.83Å; L475-V534 HydrophobicContact CD1-CG1 4.37Å; L475-V534 HydrophobicContact CD1-CG2 4.32Å; L475-F536 HydrophobicContact CD1-CB 3.96Å; L475-F536 HydrophobicContact CD1-CD1 3.72Å; L475-F536 HydrophobicContact CD1-CD2 4.36Å; L475-F536 HydrophobicContact CD1-CE1 4.27Å; L475-F536 HydrophobicContact CD1-CG 3.76Å
476	Y	98.6	Very high	95.3	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.1	175	-62	-94.5	0	0	0	109.7	I463 W464 N466 K469 H474 E507 V508 T509	I463-Y476 VanDerWaalsContact CA-O 3.32Å; I463-Y476 WeakPolarHBondContact CA-O 3.48Å; W464-Y476 PolarHBondContact N-O 3.45Å; W464-Y476 PolarHBondContact O-N 2.88Å; N466-Y476 HydrophobicContact CB-CD2 3.86Å; N466-Y476 HydrophobicContact CB-CE2 3.67Å; K469-Y476 HydrophobicContact CD-CD1 4.46Å; K469-Y476 HydrophobicContact CD-CE1 3.8Å; K469-Y476 HydrophobicContact CD-CE2 4.23Å; H474-Y476 HydrophobicContact CB-CE2 3.87Å; H474-Y476 WeakPolarHBondContact O-CD2 3.22Å; H474-Y476 VanDerWaalsContact O-CE2 3.26Å; H474-Y476 WeakPolarHBondContact O-CE2 3.26Å; Y476-E507 HydrophobicContact CD1-CG 4.08Å; Y476-V508 CarbonylContact C-O 3.54Å; Y476-V508 WeakPolarHBondContact CA-O 3.31Å; Y476-T509 HydrophobicContact CD1-CG2 4.47Å; Y476-T509 HydrophobicContact CE1-CG2 3.95Å; Y476-T509 WeakPolarHBondContact CE1-OG1 3.47Å
477	K	98.6	Very high	94.9	Very high	39 Å²	39	40.8 Å²	40.8	17%	0.17	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.3	165.8	179	-173	173.5	-158.8	0	108	T461 F462 E507 V508 L510 Y553	T461-K477 HydrophobicContact CG2-CD 4.49Å; T461-K477 HydrophobicContact CG2-CG 4.04Å; F462-K477 CarbonylContact O-C 3.38Å; F462-K477 WeakPolarHBondContact O-CA 3.49Å; K477-E507 WeakPolarHBondContact O-CA 3.47Å; K477-V508 HydrophobicContact CB-CB 4.37Å; K477-V508 PolarHBondContact N-O 2.89Å; K477-V508 PolarHBondContact O-N 2.96Å; K477-L510 HydrophobicContact CB-CD1 4.17Å; K477-L510 HydrophobicContact CB-CD2 4Å; K477-L510 HydrophobicContact CB-CG 4.28Å; K477-Y553 HydrophobicContact CD-CD2 4.19Å; K477-Y553 VanDerWaalsContact CD-O 3.26Å; K477-Y553 WeakPolarHBondContact CD-O 3.49Å
478	I	98.7	Very high	94.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.9	-174	-63.5	147.4	0	0	0	109	Y435 T461 F462 W464 I504 E506 E507	Y435-I478 HydrophobicContact CD2-CD1 3.68Å; Y435-I478 HydrophobicContact CD2-CG2 4.39Å; Y435-I478 HydrophobicContact CE2-CD1 3.41Å; Y435-I478 VanDerWaalsContact CE2-CD1 3.41Å; Y435-I478 HydrophobicContact CE2-CG1 4.21Å; Y435-I478 HydrophobicContact CG-CD1 4.38Å; T461-I478 CarbonylContact C-O 3.55Å; T461-I478 VanDerWaalsContact CA-O 3.24Å; T461-I478 WeakPolarHBondContact CA-O 3.48Å; F462-I478 HydrophobicContact CD1-CB 4.46Å; F462-I478 HydrophobicContact CD2-CB 4.47Å; F462-I478 HydrophobicContact CD2-CD1 4.48Å; F462-I478 HydrophobicContact CE1-CB 3.93Å; F462-I478 HydrophobicContact CE1-CG2 3.73Å; F462-I478 HydrophobicContact CE2-CB 3.95Å; F462-I478 HydrophobicContact CE2-CD1 3.68Å; F462-I478 HydrophobicContact CE2-CG1 4.45Å; F462-I478 HydrophobicContact CE2-CG2 4.31Å; F462-I478 HydrophobicContact CZ-CB 3.64Å; F462-I478 HydrophobicContact CZ-CD1 3.98Å; F462-I478 HydrophobicContact CZ-CG1 4.44Å; F462-I478 HydrophobicContact CZ-CG2 3.52Å; F462-I478 PolarHBondContact N-O 3.42Å; F462-I478 PolarHBondContact O-N 3.29Å; W464-I478 HydrophobicContact CB-CD1 3.77Å; W464-I478 HydrophobicContact CG-CD1 4.45Å; I478-I504 HydrophobicContact CG2-CD1 3.92Å; I478-I504 HydrophobicContact CG2-CG2 4.04Å; I478-E506 CarbonylContact C-O 3.58Å; I478-E506 WeakPolarHBondContact CA-O 3.37Å; I478-E507 HydrophobicContact CG1-CB 4.37Å; I478-E507 HydrophobicContact CG1-CG 3.8Å
479	T	98.4	Very high	94.4	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.037	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.7	169.4	-57.8	0	0	0	0	109.2	E459 F460 T461 K505 E506	E459-T479 HydrophobicContact CB-CG2 4.11Å; F460-T479 CarbonylContact O-C 3.26Å; F460-T479 WeakPolarHBondContact O-CA 3.4Å; T461-T479 WeakPolarHBondContact CG2-OG1 3.45Å; T461-T479 WeakPolarHBondContact OG1-CG2 3.06Å; T461-T479 PolarHBondContact OG1-OG1 3.21Å; T479-K505 HydrophobicContact CG2-CB 4.29Å; T479-K505 HydrophobicContact CG2-CD 4.2Å; T479-K505 WeakPolarHBondContact O-CB 3.36Å; T479-K505 PolarHBondContact O-N 3.22Å; T479-E506 PolarHBondContact N-O 2.83Å; T479-E506 PolarHBondContact O-N 3.28Å
480	S	98.3	Very high	94.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	143.4	-179.8	-56.1	0	0	0	0	110.9	I434 F460 I504	I434-S480 PolarHBondContact O-OG 3.21Å; F460-S480 PolarHBondContact N-O 3.03Å; F460-S480 PolarHBondContact O-N 3.05Å; S480-I504 VanDerWaalsContact OG-CD1 3.24Å; S480-I504 WeakPolarHBondContact OG-CD1 3.46Å
481	L	97.7	Very high	93.9	Very high	41 Å²	41	41.5 Å²	41.5	22%	0.215	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.3	177.5	-61.5	178.8	0	0	0	110.7	D458 E459 Q483 C502 A503 K505	D458-L481 CarbonylContact O-C 3.5Å; D458-L481 WeakPolarHBondContact O-CA 3.44Å; E459-L481 HydrophobicContact CG-CD2 3.95Å; L481-Q483 VanDerWaalsContact C-N 3.29Å; L481-Q483 HydrophobicContact CB-CG 4.31Å; L481-Q483 PolarHBondContact O-N 3.25Å; L481-Q483 VanDerWaalsContact O-N 3.11Å; L481-C502 WeakPolarHBondContact O-CB 3.38Å; L481-C502 PolarHBondContact O-SG 3.49Å; L481-C502 VanDerWaalsContact O-SG 3.37Å; L481-A503 HydrophobicContact CD1-CB 4.31Å; L481-A503 PolarHBondContact N-O 2.88Å; L481-K505 HydrophobicContact CD1-CB 4.45Å; L481-K505 HydrophobicContact CD2-CB 3.92Å; L481-K505 HydrophobicContact CD2-CD 4Å; L481-K505 HydrophobicContact CD2-CG 4.36Å; L481-K505 HydrophobicContact CG-CB 3.96Å
482	L	95.6	Very high	93.5	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.026	24%	0.237	C	C	.	.			trans	-85.5	66	176.3	-55.2	-168	0	0	0	110.6	Y385 L402 Y432 I434 D458 F460 P484	Y385-L482 HydrophobicContact CE2-CD1 4.32Å; L402-L482 HydrophobicContact CD1-CD1 4.49Å; L402-L482 HydrophobicContact CD1-CD2 4.32Å; Y432-L482 HydrophobicContact CD1-CB 4.21Å; Y432-L482 HydrophobicContact CD1-CD2 4.08Å; Y432-L482 HydrophobicContact CE1-CB 4.09Å; Y432-L482 HydrophobicContact CG-CD2 4.08Å; I434-L482 HydrophobicContact CG2-CD2 3.79Å; D458-L482 PolarHBondContact O-N 2.94Å; F460-L482 HydrophobicContact CB-CD1 4.03Å; F460-L482 HydrophobicContact CB-CD2 3.97Å; F460-L482 HydrophobicContact CB-CG 3.95Å; L482-P484 VanDerWaalsContact O-CD 3.29Å; L482-P484 WeakPolarHBondContact O-CD 3.34Å
483	Q	89.3	Confident	93	Very high	132 Å²	132	47.8 Å²	47.8	62%	0.617	23%	0.234	S	C	*	.			trans	-70.7	118.1	176.9	-66.5	-177.5	-8.8	0	0	109.9	Q430 L481 G485	Q430-Q483 PolarHBondContact NE2-O 3.15Å; L481-Q483 VanDerWaalsContact C-N 3.29Å; L481-Q483 HydrophobicContact CB-CG 4.31Å; L481-Q483 PolarHBondContact O-N 3.25Å; L481-Q483 VanDerWaalsContact O-N 3.11Å; Q483-G485 PolarHBondContact O-N 3.41Å
484	P	82.6	Confident	92.5	Very high	90 Å²	90	53.5 Å²	53.5	58%	0.584	26%	0.26	S	S	*	.			trans	-69.1	127.7	178.1	27.4	-31.9	0	0	0	110.1	C428 L482	C428-P484 HydrophobicContact CB-CB 4.01Å; L482-P484 VanDerWaalsContact O-CD 3.29Å; L482-P484 WeakPolarHBondContact O-CD 3.34Å
485	G	83.4	Confident	91.9	Very high	26 Å²	26	56.7 Å²	56.7	27%	0.268	28%	0.275	S	S	.	.			trans	-79.4	176.8	167	0	0	0	0	0	110.6	C428 Q483	C428-G485 WeakPolarHBondContact CA-O 3.32Å; Q483-G485 PolarHBondContact O-N 3.41Å
486	Y	86.3	Confident	91.4	Very high	180 Å²	180	61.2 Å²	61.2	71%	0.706	30%	0.302	S	S	*	.			trans	-120.4	108.3	171.3	-171.7	-84.3	0	0	0	108.1	S427	S427-Y486 WeakPolarHBondContact O-CA 3.15Å; S427-Y486 VanDerWaalsContact OG-CE2 3.25Å; S427-Y486 WeakPolarHBondContact OG-CE2 3.35Å
487	H	88.5	Confident	90.8	Very high	29 Å²	29	67.9 Å²	67.9	13%	0.134	33%	0.333	C	S	.	.			trans	-124.4	128.1	179.3	-61.5	-77.4	0	0	0	109.3	S427 Q430 W489 F500	S427-H487 WeakPolarHBondContact CA-O 3.44Å; S427-H487 PolarHBondContact O-N 2.74Å; Q430-H487 PolarHBondContact OE1-CD2 2.7Å; Q430-H487 PolarHBondContact OE1-NE2 3.08Å; H487-W489 HydrophobicContact CB-CD2 4.16Å; H487-W489 HydrophobicContact CB-CH2 4.28Å; H487-W489 HydrophobicContact CB-CZ2 3.72Å; H487-W489 AromaticContact CG-CZ2 3.93Å; H487-F500 AromaticContact CE1-CE1 3.85Å; H487-F500 AromaticContact NE2-CE1 3.58Å
488	H	90	Very high	90.1	Very high	88 Å²	88	68.4 Å²	68.4	41%	0.407	35%	0.35	S	S	.	.			trans	-97.9	90.3	171.7	-170	-98.7	0	0	0	108.7	A490 E491	H488-A490 VanDerWaalsContact CE1-CB 3.42Å; H488-A490 WeakPolarHBondContact CE1-CB 3.21Å; H488-A490 PolarHBondContact O-N 2.88Å; H488-A490 VanDerWaalsContact O-N 3.09Å; H488-E491 WeakPolarHBondContact ND1-CG 3.38Å; H488-E491 IonicContact ND1-OE1 2.77Å; H488-E491 PolarHBondContact O-N 3.44Å
489	W	93.4	Very high	89.5	Confident	8 Å²	8	70.2 Å²	70.2	3%	0.03	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.4	-172.2	-62.9	111.6	0	0	0	114.7	V361 V362 L367 L407 L422 T429 Q430 H487 Y493 F500	V361-W489 HydrophobicContact CB-CB 4.21Å; V361-W489 HydrophobicContact CB-CD2 4.27Å; V361-W489 HydrophobicContact CB-CE3 4.43Å; V361-W489 HydrophobicContact CB-CG 4.19Å; V361-W489 HydrophobicContact CG1-CB 4.34Å; V361-W489 HydrophobicContact CG1-CG 4.29Å; V361-W489 HydrophobicContact CG2-CD2 3.63Å; V361-W489 HydrophobicContact CG2-CE3 3.69Å; V361-W489 HydrophobicContact CG2-CG 4.02Å; V361-W489 HydrophobicContact CG2-CZ2 4.48Å; V361-W489 HydrophobicContact CG2-CZ3 4.15Å; V362-W489 HydrophobicContact CG1-CE3 4.13Å; V362-W489 HydrophobicContact CG1-CZ3 4.39Å; V362-W489 HydrophobicContact CG2-CE3 4.26Å; V362-W489 HydrophobicContact CG2-CZ3 3.83Å; L367-W489 HydrophobicContact CD2-CH2 3.95Å; L367-W489 HydrophobicContact CD2-CZ3 4.1Å; L407-W489 HydrophobicContact CD1-CZ2 4.09Å; L422-W489 HydrophobicContact CD2-CB 4.17Å; T429-W489 PolarHBondContact O-NE1 3.21Å; Q430-W489 HydrophobicContact CB-CZ2 4.39Å; H487-W489 HydrophobicContact CB-CD2 4.16Å; H487-W489 HydrophobicContact CB-CH2 4.28Å; H487-W489 HydrophobicContact CB-CZ2 3.72Å; H487-W489 AromaticContact CG-CZ2 3.93Å; W489-Y493 HydrophobicContact CH2-CD2 4.45Å; W489-Y493 HydrophobicContact CH2-CE2 4.49Å; W489-Y493 AromaticContact CZ3-CD2 3.84Å; W489-Y493 HydrophobicContact CZ3-CD2 3.84Å; W489-Y493 HydrophobicContact CZ3-CE2 4.29Å; W489-Y493 AromaticContact CZ3-CG 3.98Å; W489-Y493 HydrophobicContact CZ3-CG 3.98Å; W489-F500 HydrophobicContact CH2-CE1 4.33Å; W489-F500 HydrophobicContact CH2-CZ 4.03Å
490	A	91.3	Very high	89.3	Confident	16 Å²	16	70.5 Å²	70.5	13%	0.132	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.1	172.5	0	0	0	0	0	113.6	Q419 L422 E423 H488	Q419-A490 PolarHBondContact NE2-O 3.38Å; L422-A490 HydrophobicContact CB-CB 4.06Å; E423-A490 HydrophobicContact CG-CB 3.6Å; H488-A490 VanDerWaalsContact CE1-CB 3.42Å; H488-A490 WeakPolarHBondContact CE1-CB 3.21Å; H488-A490 PolarHBondContact O-N 2.88Å; H488-A490 VanDerWaalsContact O-N 3.09Å
491	E	90.6	Very high	89.2	Confident	136 Å²	136	76 Å²	76	64%	0.636	38%	0.384	S	S	*	.	S	Bend	trans	-97.1	165.7	172.8	-74.8	170.7	-160.9	0	0	111.8	H488 Y493	H488-E491 WeakPolarHBondContact ND1-CG 3.38Å; H488-E491 IonicContact ND1-OE1 2.77Å; H488-E491 PolarHBondContact O-N 3.44Å; E491-Y493 PolarHBondContact O-N 3.32Å
492	E	87.3	Confident	89.2	Confident	160 Å²	160	74.7 Å²	74.7	75%	0.748	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-65.3	116.8	176.4	-170.2	175.2	-177.9	0	0	110.7	H494	E492-H494 VanDerWaalsContact CD-CE1 3.47Å; E492-H494 IonicContact OE1-CE1 3.71Å; E492-H494 PolarHBondContact OE1-CE1 3.42Å; E492-H494 VanDerWaalsContact OE1-CE1 3.27Å
493	Y	89.6	Confident	89.2	Confident	35 Å²	35	76.8 Å²	76.8	14%	0.137	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-87.1	123.4	177	176.4	-99.9	0	0	0	111.1	V362 T366 L367 W489 E491 H495 N499 F500	V362-Y493 HydrophobicContact CG2-CD1 4.35Å; T366-Y493 HydrophobicContact CG2-CD1 3.9Å; T366-Y493 HydrophobicContact CG2-CE1 4.29Å; L367-Y493 HydrophobicContact CD2-CE1 4.28Å; W489-Y493 HydrophobicContact CH2-CD2 4.45Å; W489-Y493 HydrophobicContact CH2-CE2 4.49Å; W489-Y493 AromaticContact CZ3-CD2 3.84Å; W489-Y493 HydrophobicContact CZ3-CD2 3.84Å; W489-Y493 HydrophobicContact CZ3-CE2 4.29Å; W489-Y493 AromaticContact CZ3-CG 3.98Å; W489-Y493 HydrophobicContact CZ3-CG 3.98Å; E491-Y493 PolarHBondContact O-N 3.32Å; Y493-H495 HydrophobicContact CE1-CB 4.31Å; Y493-N499 PolarHBondContact OH-ND2 3.42Å; Y493-F500 HydrophobicContact CE2-CZ 4.04Å; Y493-F500 AromaticContact CZ-CZ 3.74Å; Y493-F500 WeakPolarHBondContact OH-CE2 3.36Å; Y493-F500 WeakPolarHBondContact OH-CZ 3.4Å
494	H	86.6	Confident	89.6	Confident	128 Å²	128	74 Å²	74	59%	0.593	39%	0.385	S	S	*	.			trans	-107.1	128.8	168.7	-60.9	-57.3	0	0	0	110.3	E492 V496	E492-H494 VanDerWaalsContact CD-CE1 3.47Å; E492-H494 IonicContact OE1-CE1 3.71Å; E492-H494 PolarHBondContact OE1-CE1 3.42Å; E492-H494 VanDerWaalsContact OE1-CE1 3.27Å; H494-V496 PolarHBondContact O-N 2.77Å
495	H	87.4	Confident	90.4	Very high	68 Å²	68	75.2 Å²	75.2	32%	0.315	38%	0.381	S	S	.	.			trans	-64	133.6	177.2	-174.9	103.9	0	0	0	111.2	T366 L367 P369 Y493	T366-H495 PolarHBondContact O-ND1 3.28Å; L367-H495 PolarHBondContact O-CE1 3.01Å; L367-H495 PolarHBondContact O-ND1 2.81Å; P369-H495 WeakPolarHBondContact CD-CE1 3.45Å; P369-H495 WeakPolarHBondContact CD-ND1 3.48Å; P369-H495 HydrophobicContact CG-CB 4.47Å; P369-H495 WeakPolarHBondContact CG-CE1 3.48Å; P369-H495 VanDerWaalsContact CG-ND1 3.29Å; P369-H495 WeakPolarHBondContact CG-ND1 3.34Å; Y493-H495 HydrophobicContact CE1-CB 4.31Å
496	V	87.9	Confident	91	Very high	95 Å²	95	78.5 Å²	78.5	58%	0.576	39%	0.39	S	S	*	.			trans	-116.4	129.2	170.4	-178.6	0	0	0	0	108.6	H494 G498 N499	H494-V496 PolarHBondContact O-N 2.77Å; V496-G498 PolarHBondContact O-N 2.93Å; V496-N499 HydrophobicContact CB-CB 4.39Å; V496-N499 WeakPolarHBondContact O-CB 3.28Å; V496-N499 PolarHBondContact O-N 2.85Å
497	E	84.9	Confident	91.6	Very high	143 Å²	143	73 Å²	73	67%	0.668	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	133.3	-179.7	-174.7	163.2	-142.4	0	0	111	R370 N499	R370-E497 IonicContact CZ-OE1 3.75Å; R370-E497 IonicContact NH1-OE1 3.51Å; R370-E497 IonicContact NH2-OE1 3.27Å; R370-E497 PolarHBondContact NH2-OE1 3.32Å; E497-N499 VanDerWaalsContact C-N 3.27Å; E497-N499 PolarHBondContact O-N 2.96Å
498	G	83.4	Confident	92	Very high	51 Å²	51	73.2 Å²	73.2	53%	0.526	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	-3.8	-174.4	0	0	0	0	0	114.6	V496 K501	V496-G498 PolarHBondContact O-N 2.93Å; G498-K501 WeakPolarHBondContact O-CB 3.35Å; G498-K501 PolarHBondContact O-N 3.39Å
499	N	86.6	Confident	92.4	Very high	38 Å²	38	72.1 Å²	72.1	20%	0.203	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	148.5	169.7	-164.6	6.1	0	0	0	110.3	Y493 V496 E497 K501	Y493-N499 PolarHBondContact OH-ND2 3.42Å; V496-N499 HydrophobicContact CB-CB 4.39Å; V496-N499 WeakPolarHBondContact O-CB 3.28Å; V496-N499 PolarHBondContact O-N 2.85Å; E497-N499 VanDerWaalsContact C-N 3.27Å; E497-N499 PolarHBondContact O-N 2.96Å; N499-K501 PolarHBondContact O-N 3.21Å
500	F	94.3	Very high	92.7	Very high	12 Å²	12	72 Å²	72	5%	0.053	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	-5.2	-177.4	-42.9	-54	0	0	0	116.5	L367 Q430 P431 I433 H487 W489 Y493 C502	L367-F500 HydrophobicContact CD2-CE2 3.98Å; L367-F500 HydrophobicContact CD2-CZ 4.03Å; Q430-F500 HydrophobicContact CB-CD1 4.11Å; Q430-F500 HydrophobicContact CB-CE1 4.05Å; P431-F500 HydrophobicContact CG-CB 4.31Å; P431-F500 HydrophobicContact CG-CD1 3.75Å; P431-F500 HydrophobicContact CG-CD2 3.66Å; P431-F500 HydrophobicContact CG-CE1 3.88Å; P431-F500 HydrophobicContact CG-CE2 3.78Å; P431-F500 HydrophobicContact CG-CG 3.64Å; P431-F500 HydrophobicContact CG-CZ 3.9Å; P431-F500 WeakPolarHBondContact O-CB 3.5Å; I433-F500 HydrophobicContact CD1-CB 4.1Å; I433-F500 HydrophobicContact CG1-CB 4.08Å; I433-F500 PolarHBondContact N-O 3.15Å; H487-F500 AromaticContact CE1-CE1 3.85Å; H487-F500 AromaticContact NE2-CE1 3.58Å; W489-F500 HydrophobicContact CH2-CE1 4.33Å; W489-F500 HydrophobicContact CH2-CZ 4.03Å; Y493-F500 HydrophobicContact CE2-CZ 4.04Å; Y493-F500 AromaticContact CZ-CZ 3.74Å; Y493-F500 WeakPolarHBondContact OH-CE2 3.36Å; Y493-F500 WeakPolarHBondContact OH-CZ 3.4Å; F500-C502 PolarHBondContact O-N 3.05Å
501	K	96.3	Very high	93	Very high	114 Å²	114	71.4 Å²	71.4	50%	0.496	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-68.1	117.6	177.2	-171.9	169.7	-178.5	166	0	111.1	E436 G498 N499	E436-K501 IonicContact OE1-NZ 3.09Å; E436-K501 PolarHBondContact OE1-NZ 3.02Å; G498-K501 WeakPolarHBondContact O-CB 3.35Å; G498-K501 PolarHBondContact O-N 3.39Å; N499-K501 PolarHBondContact O-N 3.21Å
502	C	97.4	Very high	93.4	Very high	14 Å²	14	68.8 Å²	68.8	10%	0.095	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-75.6	143.8	175	-68.5	0	0	0	0	111.1	I433 L481 F500	I433-C502 WeakPolarHBondContact O-CB 3.27Å; I433-C502 PolarHBondContact O-N 3.11Å; L481-C502 WeakPolarHBondContact O-CB 3.38Å; L481-C502 PolarHBondContact O-SG 3.49Å; L481-C502 VanDerWaalsContact O-SG 3.37Å; F500-C502 PolarHBondContact O-N 3.05Å
503	A	97.1	Very high	93.9	Very high	49 Å²	49	63 Å²	63	41%	0.405	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	132.8	167.6	0	0	0	0	0	109.9	L481 K505	L481-A503 HydrophobicContact CD1-CB 4.31Å; L481-A503 PolarHBondContact N-O 2.88Å; A503-K505 PolarHBondContact O-N 3.11Å
504	I	97.9	Very high	94.3	Very high	73 Å²	73	69.8 Å²	69.8	37%	0.374	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	114.2	171.9	-54.2	-56	0	0	0	108	I434 Y435 I478 S480 E506 E507	I434-I504 WeakPolarHBondContact O-CD1 3.36Å; Y435-I504 HydrophobicContact CD2-CD1 4.43Å; I478-I504 HydrophobicContact CG2-CD1 3.92Å; I478-I504 HydrophobicContact CG2-CG2 4.04Å; S480-I504 VanDerWaalsContact OG-CD1 3.24Å; S480-I504 WeakPolarHBondContact OG-CD1 3.46Å; I504-E506 WeakPolarHBondContact CG2-O 3.3Å; I504-E507 HydrophobicContact CG2-CB 4.14Å
505	K	97.7	Very high	94.8	Very high	116 Å²	116	64.6 Å²	64.6	50%	0.504	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-44.4	175.3	178.5	-177.1	170.8	-176	0	110.8	E459 T479 L481 A503	E459-K505 IonicContact OE1-NZ 3.32Å; E459-K505 PolarHBondContact OE1-NZ 2.94Å; E459-K505 IonicContact OE2-NZ 2.68Å; E459-K505 PolarHBondContact OE2-NZ 2.77Å; T479-K505 HydrophobicContact CG2-CB 4.29Å; T479-K505 HydrophobicContact CG2-CD 4.2Å; T479-K505 WeakPolarHBondContact O-CB 3.36Å; T479-K505 PolarHBondContact O-N 3.22Å; L481-K505 HydrophobicContact CD1-CB 4.45Å; L481-K505 HydrophobicContact CD2-CB 3.92Å; L481-K505 HydrophobicContact CD2-CD 4Å; L481-K505 HydrophobicContact CD2-CG 4.36Å; L481-K505 HydrophobicContact CG-CB 3.96Å; A503-K505 PolarHBondContact O-N 3.11Å
506	E	97.4	Very high	95.4	Very high	95 Å²	95	62.1 Å²	62.1	44%	0.444	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	140.4	-175.6	-173.4	-178.5	-140.8	0	0	110	I478 T479 I504 V508	I478-E506 CarbonylContact C-O 3.58Å; I478-E506 WeakPolarHBondContact CA-O 3.37Å; T479-E506 PolarHBondContact N-O 2.83Å; T479-E506 PolarHBondContact O-N 3.28Å; I504-E506 WeakPolarHBondContact CG2-O 3.3Å; E506-V508 HydrophobicContact CG-CG2 3.74Å
507	E	97.9	Very high	95.9	Very high	64 Å²	64	57.7 Å²	57.7	30%	0.299	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	106.1	170.1	-177.6	-173.2	109.5	0	0	108.9	K469 Y476 K477 I478 I504	K469-E507 WeakPolarHBondContact CE-OE1 3.31Å; K469-E507 WeakPolarHBondContact CE-OE2 3.39Å; K469-E507 IonicContact NZ-OE1 2.66Å; K469-E507 PolarHBondContact NZ-OE1 2.84Å; K469-E507 IonicContact NZ-OE2 2.63Å; K469-E507 PolarHBondContact NZ-OE2 3.41Å; Y476-E507 HydrophobicContact CD1-CG 4.08Å; K477-E507 WeakPolarHBondContact O-CA 3.47Å; I478-E507 HydrophobicContact CG1-CB 4.37Å; I478-E507 HydrophobicContact CG1-CG 3.8Å; I504-E507 HydrophobicContact CG2-CB 4.14Å
508	V	98.1	Very high	96.5	Very high	35 Å²	35	51.2 Å²	51.2	21%	0.212	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	121.7	-179.4	-172.9	0	0	0	0	109.4	Y476 K477 E506 L510 P556	Y476-V508 CarbonylContact C-O 3.54Å; Y476-V508 WeakPolarHBondContact CA-O 3.31Å; K477-V508 HydrophobicContact CB-CB 4.37Å; K477-V508 PolarHBondContact N-O 2.89Å; K477-V508 PolarHBondContact O-N 2.96Å; E506-V508 HydrophobicContact CG-CG2 3.74Å; V508-L510 HydrophobicContact CB-CD2 4.44Å; V508-L510 HydrophobicContact CG1-CD2 4.09Å; V508-L510 PolarHBondContact O-N 3.35Å; V508-P556 HydrophobicContact CG1-CG 3.82Å
509	T	98.1	Very high	97	Very high	65 Å²	65	49.4 Å²	49.4	40%	0.399	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	119.4	172.9	-56.1	0	0	0	0	109.7	Y476 T511	Y476-T509 HydrophobicContact CD1-CG2 4.47Å; Y476-T509 HydrophobicContact CE1-CG2 3.95Å; Y476-T509 WeakPolarHBondContact CE1-OG1 3.47Å; T509-T511 WeakPolarHBondContact CG2-O 3.29Å
510	L	98.5	Very high	97.3	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	26%	0.264	C	S	.	.			trans	-93.5	-28.9	-177.7	-53.3	-172.5	0	0	0	112.7	I463 L475 K477 V508 V534 P556	I463-L510 HydrophobicContact CD1-CD1 4.24Å; I463-L510 HydrophobicContact CG1-CD1 4.49Å; I463-L510 HydrophobicContact CG2-CD1 4.38Å; L475-L510 HydrophobicContact CB-CB 3.97Å; L475-L510 HydrophobicContact CB-CD1 4.24Å; L475-L510 HydrophobicContact CB-CG 4.46Å; L475-L510 WeakPolarHBondContact O-CB 3.46Å; L475-L510 PolarHBondContact O-N 3.41Å; K477-L510 HydrophobicContact CB-CD1 4.17Å; K477-L510 HydrophobicContact CB-CD2 4Å; K477-L510 HydrophobicContact CB-CG 4.28Å; V508-L510 HydrophobicContact CB-CD2 4.44Å; V508-L510 HydrophobicContact CG1-CD2 4.09Å; V508-L510 PolarHBondContact O-N 3.35Å; L510-V534 HydrophobicContact CD1-CG1 4.25Å; L510-P556 HydrophobicContact CD2-CB 4.31Å; L510-P556 HydrophobicContact CD2-CG 4.35Å
511	T	98.5	Very high	96.9	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.018	29%	0.29	C	S	.	.			trans	-138.8	148.1	179.5	60.5	0	0	0	0	110.1	H474 L475 T509 W515 V517 F536 V551 V559	H474-T511 WeakPolarHBondContact CA-OG1 3.31Å; H474-T511 WeakPolarHBondContact CB-O 3.09Å; H474-T511 WeakPolarHBondContact CB-OG1 3.41Å; H474-T511 VanDerWaalsContact CG-O 3.29Å; H474-T511 PolarHBondContact ND1-OG1 2.82Å; L475-T511 HydrophobicContact CB-CG2 4.33Å; L475-T511 HydrophobicContact CD1-CG2 4.24Å; L475-T511 PolarHBondContact N-OG1 2.92Å; T509-T511 WeakPolarHBondContact CG2-O 3.29Å; T511-W515 HydrophobicContact CG2-CH2 3.98Å; T511-V517 HydrophobicContact CG2-CG2 4.47Å; T511-F536 HydrophobicContact CG2-CE1 3.94Å; T511-F536 HydrophobicContact CG2-CE2 4.15Å; T511-F536 HydrophobicContact CG2-CZ 3.55Å; T511-V551 HydrophobicContact CG2-CG1 4.33Å; T511-V559 HydrophobicContact CG2-CG2 4.43Å
512	S	97.8	Very high	96.2	Very high	80 Å²	80	52.7 Å²	52.7	56%	0.559	30%	0.297	S	S	*	.			trans	-155	158	176.7	59.2	0	0	0	0	112.2	H474 W515	H474-S512 VanDerWaalsContact CE1-C 3.49Å; H474-S512 WeakPolarHBondContact NE2-CA 3.39Å; S512-W515 PolarHBondContact O-NE1 3.4Å
513	G	97.9	Very high	95.8	Very high	38 Å²	38	52.8 Å²	52.8	39%	0.392	30%	0.298	S	S	.	.	S	Bend	trans	136.7	-177	172.4	0	0	0	0	0	112.7	H474 W515	H474-G513 PolarHBondContact CE1-N 2.91Å; H474-G513 PolarHBondContact NE2-N 2.72Å; H474-G513 PolarHBondContact NE2-O 3.44Å; G513-W515 PolarHBondContact O-N 3.02Å
514	E	98.1	Very high	95.7	Very high	178 Å²	178	55.4 Å²	55.4	83%	0.832	30%	0.3	S	S	*	.	S	Bend	trans	-83.9	58.8	176.9	-62.9	-178.2	163.7	0	0	111.3	F472	F472-E514 HydrophobicContact CE2-CB 4.17Å; F472-E514 HydrophobicContact CE2-CG 4.35Å; F472-E514 HydrophobicContact CZ-CB 4.11Å
515	W	98.5	Very high	95.7	Very high	20 Å²	20	52.9 Å²	52.9	8%	0.076	29%	0.288	C	S	.	.	S	Bend	trans	-161	160.5	-179.2	59.7	-86.6	0	0	0	109.4	F472 H474 T511 S512 G513 V517 F536 R540	F472-W515 WeakPolarHBondContact CB-O 3.37Å; H474-W515 AromaticContact CE1-CE2 3.98Å; H474-W515 PolarHBondContact CE1-O 2.66Å; T511-W515 HydrophobicContact CG2-CH2 3.98Å; S512-W515 PolarHBondContact O-NE1 3.4Å; G513-W515 PolarHBondContact O-N 3.02Å; W515-V517 HydrophobicContact CH2-CG2 4.28Å; W515-V517 HydrophobicContact CZ3-CG2 3.82Å; W515-F536 AromaticContact CH2-CE2 3.81Å; W515-F536 HydrophobicContact CH2-CE2 3.81Å; W515-F536 HydrophobicContact CH2-CZ 4.07Å; W515-F536 AromaticContact CZ3-CE2 3.83Å; W515-F536 HydrophobicContact CZ3-CE2 3.83Å; W515-R540 HydrophobicContact CD2-CB 3.48Å; W515-R540 VanDerWaalsContact CD2-CB 3.48Å; W515-R540 HydrophobicContact CD2-CG 3.96Å; W515-R540 HydrophobicContact CE3-CB 3.71Å; W515-R540 VanDerWaalsContact CG-CA 3.49Å; W515-R540 HydrophobicContact CG-CB 3.85Å; W515-R540 HydrophobicContact CG-CG 4.17Å; W515-R540 HydrophobicContact CH2-CB 4.37Å; W515-R540 HydrophobicContact CZ2-CB 4.2Å; W515-R540 HydrophobicContact CZ2-CG 4.18Å; W515-R540 HydrophobicContact CZ3-CB 4.15Å
516	E	98.5	Very high	95.7	Very high	16 Å²	16	48.4 Å²	48.4	8%	0.075	27%	0.268	C	S	.	.			trans	-117.4	145.7	-173.9	63.6	-173.3	-119.2	0	0	113.4	F472 G538 T539 Q705 R706 G707	F472-E516 HydrophobicContact CD1-CB 4.49Å; E516-G538 CarbonylContact O-C 3.48Å; E516-G538 WeakPolarHBondContact O-CA 3.3Å; E516-T539 HydrophobicContact CG-CG2 4.29Å; E516-T539 PolarHBondContact N-OG1 3.46Å; E516-T539 PolarHBondContact O-N 2.73Å; E516-T539 PolarHBondContact O-OG1 3.15Å; E516-Q705 VanDerWaalsContact CD-CA 3.43Å; E516-Q705 WeakPolarHBondContact OE1-CA 3.48Å; E516-Q705 PolarHBondContact OE1-NE2 2.81Å; E516-Q705 PolarHBondContact OE1-OE1 2.79Å; E516-Q705 VanDerWaalsContact OE2-CA 3.28Å; E516-Q705 WeakPolarHBondContact OE2-CA 3.4Å; E516-R706 PolarHBondContact OE2-N 3.31Å; E516-G707 PolarHBondContact OE2-N 3.36Å; E516-G707 VanDerWaalsContact OE2-N 3.11Å
517	V	98.7	Very high	95.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-77.6	130	163.6	174.7	0	0	0	0	108.1	I448 S473 L475 T511 W515 S519 F536	I448-V517 HydrophobicContact CD1-CG1 4.35Å; S473-V517 WeakPolarHBondContact CB-O 3.22Å; S473-V517 WeakPolarHBondContact O-CB 3.33Å; S473-V517 PolarHBondContact O-N 2.99Å; S473-V517 PolarHBondContact OG-O 3.36Å; L475-V517 HydrophobicContact CD1-CG1 4.42Å; L475-V517 HydrophobicContact CD1-CG2 4.45Å; L475-V517 HydrophobicContact CD2-CG1 4.43Å; L475-V517 HydrophobicContact CG-CG1 4.16Å; L475-V517 HydrophobicContact CG-CG2 4.18Å; T511-V517 HydrophobicContact CG2-CG2 4.47Å; W515-V517 HydrophobicContact CH2-CG2 4.28Å; W515-V517 HydrophobicContact CZ3-CG2 3.82Å; V517-S519 PolarHBondContact O-N 3.41Å; V517-F536 HydrophobicContact CB-CD2 4.45Å; V517-F536 HydrophobicContact CG1-CB 4.29Å; V517-F536 HydrophobicContact CG1-CD2 4.02Å; V517-F536 HydrophobicContact CG1-CG 4.48Å; V517-F536 HydrophobicContact CG2-CD2 3.86Å; V517-F536 HydrophobicContact CG2-CE2 3.92Å
518	L	97.9	Very high	95.7	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.042	24%	0.241	C	C	.	.			trans	-76.3	122.1	178	-52.9	-173.8	0	0	0	110.1	S523 Q537 T539 H546	L518-S523 VanDerWaalsContact O-CB 3.29Å; L518-S523 WeakPolarHBondContact O-CB 3.37Å; L518-Q537 HydrophobicContact CB-CB 4.17Å; L518-Q537 HydrophobicContact CD1-CB 3.92Å; L518-Q537 HydrophobicContact CG-CB 4.2Å; L518-Q537 PolarHBondContact N-O 2.71Å; L518-T539 HydrophobicContact CD2-CG2 4.09Å; L518-H546 HydrophobicContact CD1-CB 3.83Å; L518-H546 VanDerWaalsContact CD1-CG 3.46Å; L518-H546 WeakPolarHBondContact CD1-ND1 3.43Å
519	S	93.8	Very high	95.6	Very high	12 Å²	12	43.8 Å²	43.8	8%	0.084	25%	0.245	C	C	.	.			trans	-129.7	1.6	-170.3	67.1	0	0	0	0	113.8	H446 D447 V517	H446-S519 WeakPolarHBondContact CA-O 3.25Å; H446-S519 VanDerWaalsContact CB-O 3.29Å; H446-S519 WeakPolarHBondContact CB-O 3.25Å; H446-S519 WeakPolarHBondContact CB-OG 3.41Å; D447-S519 PolarHBondContact N-O 3.27Å; V517-S519 PolarHBondContact O-N 3.41Å
520	R	92.2	Very high	95.3	Very high	42 Å²	42	44 Å²	44	16%	0.158	26%	0.26	C	S	.	.	S	Bend	trans	-124.3	170.3	-176.7	-62.8	178	64.5	176.3	3.2	112.1	N444 V445 H446 G522 S523 Q669	N444-R520 PolarHBondContact OD1-NH1 3.11Å; V445-R520 WeakPolarHBondContact O-CG 3.25Å; H446-R520 HydrophobicContact CB-CG 4.49Å; R520-G522 VanDerWaalsContact C-N 3.31Å; R520-G522 PolarHBondContact O-N 3.09Å; R520-S523 VanDerWaalsContact O-CB 3.25Å; R520-S523 WeakPolarHBondContact O-CB 3.41Å; R520-S523 PolarHBondContact O-N 3.19Å; R520-S523 PolarHBondContact O-OG 3.06Å; R520-Q669 VanDerWaalsContact NH2-NE2 3.16Å; R520-Q669 VanDerWaalsContact NH2-OE1 3.12Å
521	H	86.8	Confident	95.1	Very high	129 Å²	129	46.1 Å²	46.1	60%	0.597	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	41.9	175.3	-52	-53.2	0	0	0	113.8	D274 S523	D274-H521 IonicContact OD2-CE1 3.22Å; D274-H521 IonicContact OD2-ND1 2.67Å; H521-S523 VanDerWaalsContact C-N 3.29Å; H521-S523 PolarHBondContact O-N 3.17Å
522	G	81.3	Confident	94.9	Very high	62 Å²	62	49.4 Å²	49.4	64%	0.639	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-0.9	-179.8	0	0	0	0	0	114.8	R520 K524	R520-G522 VanDerWaalsContact C-N 3.31Å; R520-G522 PolarHBondContact O-N 3.09Å; G522-K524 PolarHBondContact O-N 3.41Å
523	S	89.9	Confident	94.8	Very high	17 Å²	17	45.8 Å²	45.8	12%	0.119	26%	0.262	C	S	.	.			trans	-67.4	128.8	166.6	-58.2	0	0	0	0	109.6	L518 R520 H521	L518-S523 VanDerWaalsContact O-CB 3.29Å; L518-S523 WeakPolarHBondContact O-CB 3.37Å; R520-S523 VanDerWaalsContact O-CB 3.25Å; R520-S523 WeakPolarHBondContact O-CB 3.41Å; R520-S523 PolarHBondContact O-N 3.19Å; R520-S523 PolarHBondContact O-OG 3.06Å; H521-S523 VanDerWaalsContact C-N 3.29Å; H521-S523 PolarHBondContact O-N 3.17Å
524	K	93.9	Very high	94.9	Very high	103 Å²	103	44 Å²	44	45%	0.448	24%	0.243	S	C	.	.			trans	-139.8	172.9	-178.8	63.3	-178.7	176.4	-178.8	0	110.5	G522 W526	G522-K524 PolarHBondContact O-N 3.41Å; K524-W526 HydrophobicContact CD-CZ2 4.35Å; K524-W526 HydrophobicContact CG-CH2 4.17Å; K524-W526 HydrophobicContact CG-CZ2 3.78Å; K524-W526 VanDerWaalsContact O-CZ3 3.31Å; K524-W526 WeakPolarHBondContact O-CZ3 3.29Å
525	I	98.3	Very high	94.9	Very high	20 Å²	20	35.7 Å²	35.7	10%	0.103	20%	0.204	C	C	.	.			trans	-100	156.7	167.9	64.2	175.3	0	0	0	111.1	I448 I463 L475 V527 V534 Y535 F536	I448-I525 HydrophobicContact CD1-CG2 3.78Å; I448-I525 HydrophobicContact CG1-CG2 4.21Å; I448-I525 HydrophobicContact CG2-CD1 3.65Å; I448-I525 HydrophobicContact CG2-CG1 3.92Å; I448-I525 HydrophobicContact CG2-CG2 4.11Å; I463-I525 HydrophobicContact CB-CD1 4.09Å; I463-I525 HydrophobicContact CG2-CD1 3.73Å; L475-I525 HydrophobicContact CD1-CG2 4.31Å; L475-I525 HydrophobicContact CD2-CD1 4.48Å; L475-I525 HydrophobicContact CD2-CG2 3.83Å; I525-V527 HydrophobicContact CD1-CG2 3.88Å; I525-V527 HydrophobicContact CG1-CG2 4.24Å; I525-V534 HydrophobicContact CB-CG2 3.87Å; I525-V534 HydrophobicContact CD1-CG2 4.07Å; I525-V534 HydrophobicContact CG1-CG2 4.47Å; I525-V534 HydrophobicContact CG2-CG2 4.21Å; I525-Y535 CarbonylContact C-O 3.52Å; I525-Y535 VanDerWaalsContact CA-O 3.23Å; I525-Y535 WeakPolarHBondContact CA-O 3.05Å; I525-Y535 WeakPolarHBondContact CB-O 3.31Å; I525-F536 HydrophobicContact CG2-CB 3.88Å
526	W	98.1	Very high	94.9	Very high	23 Å²	23	34.8 Å²	34.8	9%	0.087	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	123.6	168.3	-53.9	-104.1	0	0	0	108.6	K524 Y535 L548 C571 V573 F577	K524-W526 HydrophobicContact CD-CZ2 4.35Å; K524-W526 HydrophobicContact CG-CH2 4.17Å; K524-W526 HydrophobicContact CG-CZ2 3.78Å; K524-W526 VanDerWaalsContact O-CZ3 3.31Å; K524-W526 WeakPolarHBondContact O-CZ3 3.29Å; W526-Y535 PolarHBondContact N-O 3.21Å; W526-Y535 WeakPolarHBondContact O-CD2 3.49Å; W526-Y535 PolarHBondContact O-N 2.99Å; W526-L548 HydrophobicContact CZ3-CD1 3.98Å; W526-C571 VanDerWaalsContact CH2-O 3.23Å; W526-C571 WeakPolarHBondContact CH2-O 3.32Å; W526-V573 HydrophobicContact CB-CB 4.18Å; W526-V573 HydrophobicContact CD2-CB 3.67Å; W526-V573 HydrophobicContact CD2-CG2 3.68Å; W526-V573 HydrophobicContact CE3-CB 4.17Å; W526-V573 HydrophobicContact CE3-CG2 3.62Å; W526-V573 HydrophobicContact CG-CB 3.68Å; W526-V573 HydrophobicContact CG-CG2 4.15Å; W526-V573 HydrophobicContact CH2-CG2 4.44Å; W526-V573 HydrophobicContact CZ2-CG2 4.47Å; W526-V573 HydrophobicContact CZ3-CG2 4.02Å; W526-V573 PolarHBondContact NE1-O 2.96Å; W526-F577 HydrophobicContact CB-CE1 3.79Å
527	V	97.9	Very high	94.9	Very high	8 Å²	8	34.2 Å²	34.2	5%	0.048	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	112.3	-172.9	-177.4	0	0	0	0	109.7	Y450 F452 I463 I525 E529 V534 Y553 F577	Y450-V527 HydrophobicContact CD1-CB 4.03Å; Y450-V527 HydrophobicContact CD1-CG1 4.07Å; Y450-V527 HydrophobicContact CD1-CG2 3.81Å; Y450-V527 HydrophobicContact CD2-CB 4.02Å; Y450-V527 HydrophobicContact CD2-CG2 3.7Å; Y450-V527 HydrophobicContact CE1-CB 3.81Å; Y450-V527 HydrophobicContact CE1-CG1 3.73Å; Y450-V527 HydrophobicContact CE1-CG2 4.13Å; Y450-V527 HydrophobicContact CE2-CB 3.77Å; Y450-V527 HydrophobicContact CE2-CG2 4.01Å; Y450-V527 HydrophobicContact CG-CB 4.15Å; Y450-V527 HydrophobicContact CG-CG2 3.6Å; F452-V527 HydrophobicContact CE1-CG1 3.97Å; F452-V527 HydrophobicContact CZ-CG1 4.22Å; I463-V527 HydrophobicContact CD1-CG1 4.4Å; I463-V527 HydrophobicContact CD1-CG2 3.96Å; I525-V527 HydrophobicContact CD1-CG2 3.88Å; I525-V527 HydrophobicContact CG1-CG2 4.24Å; V527-E529 HydrophobicContact CG1-CG 4.29Å; V527-E529 PolarHBondContact O-N 2.91Å; V527-V534 HydrophobicContact CG2-CB 4.49Å; V527-V534 HydrophobicContact CG2-CG2 4.05Å; V527-Y553 HydrophobicContact CG1-CD1 4.11Å; V527-Y553 HydrophobicContact CG1-CE1 3.58Å; V527-F577 WeakPolarHBondContact O-CZ 3.43Å
528	N	96.4	Very high	94.9	Very high	25 Å²	25	34.2 Å²	34.2	13%	0.134	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	99.3	172.9	-172.5	-20.7	0	0	0	109.3	G530 T531 K532 L533 Y535 F577	N528-G530 PolarHBondContact O-N 3.38Å; N528-G530 WeakPolarHBondContact OD1-CA 3.34Å; N528-G530 PolarHBondContact OD1-N 3.45Å; N528-T531 WeakPolarHBondContact CB-OG1 3.35Å; N528-T531 PolarHBondContact ND2-OG1 3.45Å; N528-T531 VanDerWaalsContact ND2-OG1 3.16Å; N528-T531 PolarHBondContact O-N 3.36Å; N528-T531 PolarHBondContact OD1-N 3.26Å; N528-K532 WeakPolarHBondContact O-CA 3.28Å; N528-K532 PolarHBondContact O-N 2.93Å; N528-L533 PolarHBondContact N-O 3.13Å; N528-L533 PolarHBondContact O-N 3.33Å; N528-L533 VanDerWaalsContact O-N 3.16Å; N528-Y535 HydrophobicContact CB-CE2 4.31Å; N528-F577 HydrophobicContact CB-CB 4.35Å; N528-F577 HydrophobicContact CB-CD1 3.69Å; N528-F577 HydrophobicContact CB-CD2 3.71Å; N528-F577 HydrophobicContact CB-CE1 3.79Å; N528-F577 HydrophobicContact CB-CE2 3.86Å; N528-F577 HydrophobicContact CB-CG 3.64Å; N528-F577 HydrophobicContact CB-CZ 3.91Å; N528-F577 VanDerWaalsContact ND2-CB 3.32Å; N528-F577 WeakPolarHBondContact ND2-CB 3.23Å; N528-F577 WeakPolarHBondContact ND2-CG 3.25Å
529	E	95.5	Very high	94.9	Very high	63 Å²	63	34.1 Å²	34.1	29%	0.294	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.1	178.6	-66.8	-167.5	-148.4	0	0	114.4	Y450 F452 V527 K532 Y553	Y450-E529 WeakPolarHBondContact CE1-OE1 3.33Å; Y450-E529 PolarHBondContact OH-OE1 3.31Å; F452-E529 HydrophobicContact CD1-CG 4.26Å; F452-E529 HydrophobicContact CE1-CG 4.14Å; V527-E529 HydrophobicContact CG1-CG 4.29Å; V527-E529 PolarHBondContact O-N 2.91Å; E529-K532 WeakPolarHBondContact O-CD 3.3Å; E529-K532 VanDerWaalsContact O-CE 3.28Å; E529-K532 WeakPolarHBondContact O-CE 3.42Å; E529-K532 PolarHBondContact O-NZ 3.29Å; E529-Y553 WeakPolarHBondContact CA-OH 3.31Å
530	G	93.4	Very high	95.1	Very high	70 Å²	70	38.5 Å²	38.5	72%	0.722	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-43.9	176.2	0	0	0	0	0	112.2	N528	N528-G530 PolarHBondContact O-N 3.38Å; N528-G530 WeakPolarHBondContact OD1-CA 3.34Å; N528-G530 PolarHBondContact OD1-N 3.45Å
531	T	92.9	Very high	95.4	Very high	50 Å²	50	40 Å²	40	31%	0.307	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-0.4	-179.2	65.5	0	0	0	0	113.8	N528 L533	N528-T531 WeakPolarHBondContact CB-OG1 3.35Å; N528-T531 PolarHBondContact ND2-OG1 3.45Å; N528-T531 VanDerWaalsContact ND2-OG1 3.16Å; N528-T531 PolarHBondContact O-N 3.36Å; N528-T531 PolarHBondContact OD1-N 3.26Å; T531-L533 VanDerWaalsContact C-N 3.27Å; T531-L533 PolarHBondContact O-N 3.43Å; T531-L533 WeakPolarHBondContact OG1-CG 3.32Å
532	K	95.6	Very high	96	Very high	73 Å²	73	35.5 Å²	35.5	32%	0.317	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	35.2	-177.2	-47.3	-59.3	-179.1	-162.9	0	114.1	N528 E529 S552 Y553 E554	N528-K532 WeakPolarHBondContact O-CA 3.28Å; N528-K532 PolarHBondContact O-N 2.93Å; E529-K532 WeakPolarHBondContact O-CD 3.3Å; E529-K532 VanDerWaalsContact O-CE 3.28Å; E529-K532 WeakPolarHBondContact O-CE 3.42Å; E529-K532 PolarHBondContact O-NZ 3.29Å; K532-S552 WeakPolarHBondContact O-CA 3.48Å; K532-S552 PolarHBondContact O-OG 3.11Å; K532-Y553 VanDerWaalsContact CA-CZ 3.47Å; K532-Y553 HydrophobicContact CB-CE1 4.2Å; K532-Y553 HydrophobicContact CB-CE2 4.16Å; K532-Y553 HydrophobicContact CD-CE2 3.97Å; K532-Y553 WeakPolarHBondContact CD-OH 3.38Å; K532-Y553 VanDerWaalsContact O-CD1 3.25Å; K532-Y553 WeakPolarHBondContact O-CD1 3.42Å; K532-Y553 PolarHBondContact O-N 2.94Å; K532-E554 HydrophobicContact CB-CB 4.05Å; K532-E554 HydrophobicContact CG-CB 4.47Å; K532-E554 WeakPolarHBondContact CG-OE2 3.42Å
533	L	96.1	Very high	96.8	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	145.6	-178.7	-64.9	178.1	0	0	0	111.6	N528 T531 Y535 V550 V551 L606 V608	N528-L533 PolarHBondContact N-O 3.13Å; N528-L533 PolarHBondContact O-N 3.33Å; N528-L533 VanDerWaalsContact O-N 3.16Å; T531-L533 VanDerWaalsContact C-N 3.27Å; T531-L533 PolarHBondContact O-N 3.43Å; T531-L533 WeakPolarHBondContact OG1-CG 3.32Å; L533-Y535 HydrophobicContact CB-CE2 4.25Å; L533-V550 HydrophobicContact CB-CG2 3.84Å; L533-V550 HydrophobicContact CD1-CG2 4.01Å; L533-V550 HydrophobicContact CD2-CG2 4.24Å; L533-V550 HydrophobicContact CG-CG2 4.25Å; L533-V551 WeakPolarHBondContact CA-O 3.21Å; L533-L606 HydrophobicContact CD2-CD2 3.83Å; L533-L606 HydrophobicContact CG-CD2 4.44Å; L533-V608 HydrophobicContact CD1-CG2 3.77Å
534	V	98.2	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.6	167.9	60.2	0	0	0	0	109.8	I463 L475 L510 I525 V527 V550 V551 Y553	I463-V534 HydrophobicContact CD1-CB 4.3Å; I463-V534 HydrophobicContact CD1-CG2 4.31Å; L475-V534 HydrophobicContact CD1-CG1 4.37Å; L475-V534 HydrophobicContact CD1-CG2 4.32Å; L510-V534 HydrophobicContact CD1-CG1 4.25Å; I525-V534 HydrophobicContact CB-CG2 3.87Å; I525-V534 HydrophobicContact CD1-CG2 4.07Å; I525-V534 HydrophobicContact CG1-CG2 4.47Å; I525-V534 HydrophobicContact CG2-CG2 4.21Å; V527-V534 HydrophobicContact CG2-CB 4.49Å; V527-V534 HydrophobicContact CG2-CG2 4.05Å; V534-V550 WeakPolarHBondContact O-CA 3.45Å; V534-V551 HydrophobicContact CG1-CG1 3.58Å; V534-V551 PolarHBondContact N-O 3Å; V534-V551 PolarHBondContact O-N 2.96Å; V534-Y553 HydrophobicContact CB-CD1 4.44Å
535	Y	98.4	Very high	97.4	Very high	5 Å²	5	30 Å²	30	2%	0.02	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.7	173.7	-60.4	-100.7	0	0	0	109.1	I525 W526 N528 L533 Y549 V550 L562 V573 F577 L598	I525-Y535 CarbonylContact C-O 3.52Å; I525-Y535 VanDerWaalsContact CA-O 3.23Å; I525-Y535 WeakPolarHBondContact CA-O 3.05Å; I525-Y535 WeakPolarHBondContact CB-O 3.31Å; W526-Y535 PolarHBondContact N-O 3.21Å; W526-Y535 WeakPolarHBondContact O-CD2 3.49Å; W526-Y535 PolarHBondContact O-N 2.99Å; N528-Y535 HydrophobicContact CB-CE2 4.31Å; L533-Y535 HydrophobicContact CB-CE2 4.25Å; Y535-Y549 VanDerWaalsContact CA-O 3.3Å; Y535-Y549 WeakPolarHBondContact CA-O 3.45Å; Y535-V550 HydrophobicContact CD1-CB 3.78Å; Y535-V550 HydrophobicContact CD1-CG2 3.79Å; Y535-V550 HydrophobicContact CD2-CG2 4.24Å; Y535-V550 HydrophobicContact CE1-CB 3.92Å; Y535-V550 HydrophobicContact CE1-CG2 3.7Å; Y535-V550 HydrophobicContact CE2-CG2 4.14Å; Y535-V550 HydrophobicContact CG-CB 4.35Å; Y535-V550 HydrophobicContact CG-CG2 4.06Å; Y535-L562 HydrophobicContact CD1-CD1 3.68Å; Y535-L562 HydrophobicContact CE1-CD1 3.69Å; Y535-V573 HydrophobicContact CG-CG2 4.46Å; Y535-F577 AromaticContact CD2-CD1 3.9Å; Y535-F577 HydrophobicContact CD2-CD1 3.9Å; Y535-F577 HydrophobicContact CD2-CE1 4.17Å; Y535-F577 AromaticContact CE2-CD1 3.61Å; Y535-F577 HydrophobicContact CE2-CD1 3.61Å; Y535-F577 HydrophobicContact CE2-CE1 4.27Å; Y535-F577 HydrophobicContact CE2-CG 4.45Å; Y535-L598 HydrophobicContact CE1-CD1 4.02Å
536	F	98.6	Very high	97.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	161.7	-176.8	64.7	-85.2	0	0	0	111.2	L475 T511 W515 V517 I525 Y549 V551 V559	L475-F536 HydrophobicContact CD1-CB 3.96Å; L475-F536 HydrophobicContact CD1-CD1 3.72Å; L475-F536 HydrophobicContact CD1-CD2 4.36Å; L475-F536 HydrophobicContact CD1-CE1 4.27Å; L475-F536 HydrophobicContact CD1-CG 3.76Å; T511-F536 HydrophobicContact CG2-CE1 3.94Å; T511-F536 HydrophobicContact CG2-CE2 4.15Å; T511-F536 HydrophobicContact CG2-CZ 3.55Å; W515-F536 AromaticContact CH2-CE2 3.81Å; W515-F536 HydrophobicContact CH2-CE2 3.81Å; W515-F536 HydrophobicContact CH2-CZ 4.07Å; W515-F536 AromaticContact CZ3-CE2 3.83Å; W515-F536 HydrophobicContact CZ3-CE2 3.83Å; V517-F536 HydrophobicContact CB-CD2 4.45Å; V517-F536 HydrophobicContact CG1-CB 4.29Å; V517-F536 HydrophobicContact CG1-CD2 4.02Å; V517-F536 HydrophobicContact CG1-CG 4.48Å; V517-F536 HydrophobicContact CG2-CD2 3.86Å; V517-F536 HydrophobicContact CG2-CE2 3.92Å; I525-F536 HydrophobicContact CG2-CB 3.88Å; F536-Y549 HydrophobicContact CD2-CD2 4.38Å; F536-Y549 AromaticContact CE2-CD2 3.97Å; F536-Y549 HydrophobicContact CE2-CD2 3.97Å; F536-Y549 HydrophobicContact CE2-CG 4.12Å; F536-Y549 HydrophobicContact CZ-CG 4.23Å; F536-Y549 PolarHBondContact N-O 3.04Å; F536-Y549 PolarHBondContact O-N 2.83Å; F536-V551 HydrophobicContact CE1-CB 4.31Å; F536-V551 HydrophobicContact CE1-CG1 3.81Å; F536-V559 HydrophobicContact CE1-CG1 4.14Å; F536-V559 HydrophobicContact CZ-CG1 3.57Å; F536-V559 HydrophobicContact CZ-CG2 4.41Å
537	Q	98.6	Very high	97.5	Very high	5 Å²	5	30 Å²	30	2%	0.023	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	148.8	171.1	-66.6	174.9	106.4	0	0	110.5	L518 H547 L548 H569	L518-Q537 HydrophobicContact CB-CB 4.17Å; L518-Q537 HydrophobicContact CD1-CB 3.92Å; L518-Q537 HydrophobicContact CG-CB 4.2Å; L518-Q537 PolarHBondContact N-O 2.71Å; Q537-H547 CarbonylContact C-O 3.58Å; Q537-H547 WeakPolarHBondContact CA-O 3.42Å; Q537-L548 HydrophobicContact CG-CD1 4.31Å; Q537-H569 PolarHBondContact OE1-O 3.17Å
538	G	98.4	Very high	97.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	-179.7	-179.4	0	0	0	0	0	114	E516 H547 Y549	E516-G538 CarbonylContact O-C 3.48Å; E516-G538 WeakPolarHBondContact O-CA 3.3Å; G538-H547 PolarHBondContact N-O 2.94Å; G538-H547 PolarHBondContact O-N 3.46Å; G538-H547 VanDerWaalsContact O-N 3.09Å; G538-Y549 WeakPolarHBondContact O-CE2 3.16Å
539	T	98.6	Very high	97.6	Very high	6 Å²	6	28.5 Å²	28.5	4%	0.037	16%	0.158	C	C	.	.			trans	-111	19.2	-178.9	56.2	0	0	0	0	113.7	E516 L518 D541 T542	E516-T539 HydrophobicContact CG-CG2 4.29Å; E516-T539 PolarHBondContact N-OG1 3.46Å; E516-T539 PolarHBondContact O-N 2.73Å; E516-T539 PolarHBondContact O-OG1 3.15Å; L518-T539 HydrophobicContact CD2-CG2 4.09Å; T539-D541 VanDerWaalsContact C-N 3.3Å; T539-D541 PolarHBondContact O-N 3.43Å; T539-T542 CarbonylContact O-C 3.48Å; T539-T542 VanDerWaalsContact O-C 3.27Å; T539-T542 PolarHBondContact O-N 3.31Å; T539-T542 VanDerWaalsContact O-N 3.15Å
540	R	98.4	Very high	97.7	Very high	105 Å²	105	25.7 Å²	25.7	40%	0.396	14%	0.144	S	C	.	.	S	Bend	trans	-54.6	-39.9	-173.4	-179.7	178.6	161.3	138.6	-4.8	114.2	W515 Y549 V559	W515-R540 HydrophobicContact CD2-CB 3.48Å; W515-R540 VanDerWaalsContact CD2-CB 3.48Å; W515-R540 HydrophobicContact CD2-CG 3.96Å; W515-R540 HydrophobicContact CE3-CB 3.71Å; W515-R540 VanDerWaalsContact CG-CA 3.49Å; W515-R540 HydrophobicContact CG-CB 3.85Å; W515-R540 HydrophobicContact CG-CG 4.17Å; W515-R540 HydrophobicContact CH2-CB 4.37Å; W515-R540 HydrophobicContact CZ2-CB 4.2Å; W515-R540 HydrophobicContact CZ2-CG 4.18Å; W515-R540 HydrophobicContact CZ3-CB 4.15Å; R540-Y549 HydrophobicContact CB-CE1 4.06Å; R540-Y549 HydrophobicContact CB-CE2 4.3Å; R540-Y549 PolarHBondContact N-OH 2.89Å; R540-V559 VanDerWaalsContact NH1-CB 3.3Å; R540-V559 VanDerWaalsContact NH1-CG2 3.35Å
541	D	98.5	Very high	97.9	Very high	72 Å²	72	22.5 Å²	22.5	39%	0.385	11%	0.111	S	C	.	.	S	Bend	trans	-78	-35.5	-178.5	-72.6	-120.8	0	0	0	111.7	T539 Y549 R561	T539-D541 VanDerWaalsContact C-N 3.3Å; T539-D541 PolarHBondContact O-N 3.43Å; D541-Y549 PolarHBondContact N-OH 3.27Å; D541-Y549 VanDerWaalsContact N-OH 3.14Å; D541-Y549 VanDerWaalsContact OD2-CE1 3.23Å; D541-Y549 WeakPolarHBondContact OD2-CE1 3.46Å; D541-Y549 VanDerWaalsContact OD2-CZ 3.32Å; D541-Y549 PolarHBondContact OD2-OH 2.93Å; D541-R561 VanDerWaalsContact CG-NE 3.33Å; D541-R561 IonicContact OD1-CZ 3.72Å; D541-R561 IonicContact OD1-NE 3.77Å; D541-R561 PolarHBondContact OD1-NE 3.32Å; D541-R561 IonicContact OD1-NH2 3.33Å; D541-R561 PolarHBondContact OD1-NH2 3.05Å; D541-R561 WeakPolarHBondContact OD2-CD 3.22Å; D541-R561 IonicContact OD2-NE 2.91Å; D541-R561 PolarHBondContact OD2-NE 2.98Å
542	T	98.4	Very high	98	Very high	36 Å²	36	20.7 Å²	20.7	22%	0.221	10%	0.101	C	C	.	.			trans	-170.2	147.5	177	172.6	0	0	0	0	110.3	T539 L544 E545	T539-T542 CarbonylContact O-C 3.48Å; T539-T542 VanDerWaalsContact O-C 3.27Å; T539-T542 PolarHBondContact O-N 3.31Å; T539-T542 VanDerWaalsContact O-N 3.15Å; T542-L544 HydrophobicContact CG2-CB 4.43Å; T542-L544 PolarHBondContact O-N 3.25Å; T542-L544 VanDerWaalsContact O-N 3.12Å; T542-L544 PolarHBondContact OG1-N 3.49Å; T542-E545 HydrophobicContact CG2-CB 3.54Å; T542-E545 HydrophobicContact CG2-CG 3.64Å; T542-E545 PolarHBondContact O-N 3.26Å
543	P	98.2	Very high	98.1	Very high	25 Å²	25	17.7 Å²	17.7	16%	0.162	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.6	172.6	28.7	-37.4	0	0	0	113.7	Y643 Q671	P543-Y643 HydrophobicContact CG-CE2 3.77Å; P543-Q671 PolarHBondContact O-NE2 3.48Å
544	L	98.6	Very high	98	Very high	21 Å²	21	23.5 Å²	23.5	11%	0.11	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-12	-178.7	-57.2	176.6	0	0	0	113.4	T542 I631 Y643 V673 N674 N675	T542-L544 HydrophobicContact CG2-CB 4.43Å; T542-L544 PolarHBondContact O-N 3.25Å; T542-L544 VanDerWaalsContact O-N 3.12Å; T542-L544 PolarHBondContact OG1-N 3.49Å; L544-I631 HydrophobicContact CD1-CD1 4.5Å; L544-I631 HydrophobicContact CD1-CG2 3.95Å; L544-Y643 HydrophobicContact CD1-CD1 3.95Å; L544-Y643 HydrophobicContact CD1-CE1 3.95Å; L544-Y643 HydrophobicContact CD2-CD1 3.87Å; L544-Y643 HydrophobicContact CD2-CE1 4.34Å; L544-Y643 HydrophobicContact CD2-CG 3.98Å; L544-Y643 HydrophobicContact CG-CD1 4.2Å; L544-Y643 HydrophobicContact CG-CE1 4.22Å; L544-V673 HydrophobicContact CD2-CG1 4.22Å; L544-V673 VanDerWaalsContact CD2-O 3.32Å; L544-V673 WeakPolarHBondContact CD2-O 3.3Å; L544-N674 WeakPolarHBondContact O-CB 3.39Å; L544-N675 HydrophobicContact CB-CB 4.46Å; L544-N675 PolarHBondContact O-N 3.42Å
545	E	98.7	Very high	97.7	Very high	19 Å²	19	27.7 Å²	27.7	9%	0.089	14%	0.143	C	C	.	.			trans	-132.1	128.4	-174.1	-62.8	-178	170.7	0	0	110.1	T542 H547 G566 F567 N675	T542-E545 HydrophobicContact CG2-CB 3.54Å; T542-E545 HydrophobicContact CG2-CG 3.64Å; T542-E545 PolarHBondContact O-N 3.26Å; E545-H547 WeakPolarHBondContact CB-NE2 3.43Å; E545-H547 IonicContact OE2-CE1 3.44Å; E545-H547 IonicContact OE2-NE2 3.16Å; E545-H547 PolarHBondContact OE2-NE2 3.42Å; E545-H547 VanDerWaalsContact OE2-NE2 3.13Å; E545-G566 VanDerWaalsContact OE1-C 3.29Å; E545-G566 WeakPolarHBondContact OE1-CA 3.48Å; E545-G566 PolarHBondContact OE1-N 3.08Å; E545-G566 PolarHBondContact OE2-N 3.12Å; E545-F567 PolarHBondContact OE1-N 3.06Å; E545-N675 HydrophobicContact CG-CB 3.88Å; E545-N675 PolarHBondContact OE1-ND2 3.27Å
546	H	98.7	Very high	97.4	Very high	44 Å²	44	30 Å²	30	20%	0.204	16%	0.159	C	C	.	.			trans	-88.5	131.1	170.1	-60.8	-179.4	0	0	0	108.4	L518 S568 H569	L518-H546 HydrophobicContact CD1-CB 3.83Å; L518-H546 VanDerWaalsContact CD1-CG 3.46Å; L518-H546 WeakPolarHBondContact CD1-ND1 3.43Å; H546-S568 PolarHBondContact N-OG 3.02Å; H546-H569 VanDerWaalsContact CB-O 3.31Å; H546-H569 WeakPolarHBondContact CB-O 3.37Å; H546-H569 WeakPolarHBondContact O-CB 3.26Å; H546-H569 PolarHBondContact O-CD2 3.11Å; H546-H569 PolarHBondContact O-N 3.37Å
547	H	98.8	Very high	96.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.6	-180	-76	-60.1	0	0	0	111.7	Q537 G538 E545 Y549 R561 T563 F567 H569	Q537-H547 CarbonylContact C-O 3.58Å; Q537-H547 WeakPolarHBondContact CA-O 3.42Å; G538-H547 PolarHBondContact N-O 2.94Å; G538-H547 PolarHBondContact O-N 3.46Å; G538-H547 VanDerWaalsContact O-N 3.09Å; E545-H547 WeakPolarHBondContact CB-NE2 3.43Å; E545-H547 IonicContact OE2-CE1 3.44Å; E545-H547 IonicContact OE2-NE2 3.16Å; E545-H547 PolarHBondContact OE2-NE2 3.42Å; E545-H547 VanDerWaalsContact OE2-NE2 3.13Å; H547-Y549 HydrophobicContact CB-CD2 4.31Å; H547-Y549 HydrophobicContact CB-CE1 4.29Å; H547-Y549 HydrophobicContact CB-CE2 3.49Å; H547-Y549 VanDerWaalsContact CB-CE2 3.49Å; H547-Y549 VanDerWaalsContact CB-CZ 3.48Å; H547-Y549 WeakPolarHBondContact CB-OH 3.37Å; H547-Y549 WeakPolarHBondContact O-CD2 3.24Å; H547-Y549 WeakPolarHBondContact O-CE2 3.41Å; H547-R561 HydrophobicContact CB-CG 4.21Å; H547-T563 WeakPolarHBondContact CA-OG1 3.45Å; H547-T563 VanDerWaalsContact CB-OG1 3.3Å; H547-T563 WeakPolarHBondContact CB-OG1 3.49Å; H547-T563 PolarHBondContact ND1-OG1 3.06Å; H547-F567 PolarHBondContact CE1-O 2.95Å; H547-F567 VanDerWaalsContact CE1-O 3.29Å; H547-H569 AromaticContact CE1-CD2 3.69Å; H547-H569 AromaticContact CE1-NE2 3.95Å; H547-H569 AromaticContact ND1-CD2 3.44Å; H547-H569 PolarHBondContact ND1-CD2 3.38Å; H547-H569 AromaticContact ND1-NE2 3.92Å
548	L	98.8	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	132.3	167.3	-175.6	68.8	0	0	0	110.1	W526 Q537 L562 T563 C571 V573 F580	W526-L548 HydrophobicContact CZ3-CD1 3.98Å; Q537-L548 HydrophobicContact CG-CD1 4.31Å; L548-L562 HydrophobicContact CB-CB 4.45Å; L548-L562 HydrophobicContact CD2-CB 4.19Å; L548-L562 HydrophobicContact CD2-CD1 4.02Å; L548-L562 HydrophobicContact CG-CB 4.3Å; L548-L562 HydrophobicContact CG-CD1 4.2Å; L548-L562 PolarHBondContact O-N 2.79Å; L548-T563 HydrophobicContact CB-CG2 3.79Å; L548-T563 PolarHBondContact N-OG1 3.48Å; L548-C571 HydrophobicContact CB-CB 4.18Å; L548-C571 HydrophobicContact CD1-CB 4.18Å; L548-C571 HydrophobicContact CD2-CB 4.15Å; L548-C571 HydrophobicContact CG-CB 4.41Å; L548-V573 HydrophobicContact CD1-CG2 4.08Å; L548-V573 HydrophobicContact CD2-CG2 4.06Å; L548-F580 HydrophobicContact CD2-CB 4.31Å; L548-F580 HydrophobicContact CD2-CD1 4.26Å; L548-F580 HydrophobicContact CD2-CD2 3.7Å; L548-F580 HydrophobicContact CD2-CE2 4Å; L548-F580 HydrophobicContact CD2-CG 3.83Å; L548-F580 HydrophobicContact CD2-CZ 4.4Å
549	Y	98.4	Very high	96.4	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.008	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	164	178.9	-60.3	-82.8	0	0	0	111.3	Y535 F536 G538 R540 D541 H547 V559 V560 R561	Y535-Y549 VanDerWaalsContact CA-O 3.3Å; Y535-Y549 WeakPolarHBondContact CA-O 3.45Å; F536-Y549 HydrophobicContact CD2-CD2 4.38Å; F536-Y549 AromaticContact CE2-CD2 3.97Å; F536-Y549 HydrophobicContact CE2-CD2 3.97Å; F536-Y549 HydrophobicContact CE2-CG 4.12Å; F536-Y549 HydrophobicContact CZ-CG 4.23Å; F536-Y549 PolarHBondContact N-O 3.04Å; F536-Y549 PolarHBondContact O-N 2.83Å; G538-Y549 WeakPolarHBondContact O-CE2 3.16Å; R540-Y549 HydrophobicContact CB-CE1 4.06Å; R540-Y549 HydrophobicContact CB-CE2 4.3Å; R540-Y549 PolarHBondContact N-OH 2.89Å; D541-Y549 PolarHBondContact N-OH 3.27Å; D541-Y549 VanDerWaalsContact N-OH 3.14Å; D541-Y549 VanDerWaalsContact OD2-CE1 3.23Å; D541-Y549 WeakPolarHBondContact OD2-CE1 3.46Å; D541-Y549 VanDerWaalsContact OD2-CZ 3.32Å; D541-Y549 PolarHBondContact OD2-OH 2.93Å; H547-Y549 HydrophobicContact CB-CD2 4.31Å; H547-Y549 HydrophobicContact CB-CE1 4.29Å; H547-Y549 HydrophobicContact CB-CE2 3.49Å; H547-Y549 VanDerWaalsContact CB-CE2 3.49Å; H547-Y549 VanDerWaalsContact CB-CZ 3.48Å; H547-Y549 WeakPolarHBondContact CB-OH 3.37Å; H547-Y549 WeakPolarHBondContact O-CD2 3.24Å; H547-Y549 WeakPolarHBondContact O-CE2 3.41Å; Y549-V559 HydrophobicContact CD1-CG1 3.68Å; Y549-V559 HydrophobicContact CG-CG1 3.87Å; Y549-V560 CarbonylContact C-O 3.4Å; Y549-V560 VanDerWaalsContact CA-O 3.26Å; Y549-V560 WeakPolarHBondContact CA-O 3.37Å; Y549-R561 HydrophobicContact CD1-CB 3.79Å; Y549-R561 HydrophobicContact CD1-CG 4.24Å; Y549-R561 HydrophobicContact CE1-CB 3.66Å; Y549-R561 HydrophobicContact CE1-CG 3.9Å
550	V	97.4	Very high	96.2	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	143.7	170.9	64.8	0	0	0	0	110.8	L533 V534 Y535 V560 L562 V608	L533-V550 HydrophobicContact CB-CG2 3.84Å; L533-V550 HydrophobicContact CD1-CG2 4.01Å; L533-V550 HydrophobicContact CD2-CG2 4.24Å; L533-V550 HydrophobicContact CG-CG2 4.25Å; V534-V550 WeakPolarHBondContact O-CA 3.45Å; Y535-V550 HydrophobicContact CD1-CB 3.78Å; Y535-V550 HydrophobicContact CD1-CG2 3.79Å; Y535-V550 HydrophobicContact CD2-CG2 4.24Å; Y535-V550 HydrophobicContact CE1-CB 3.92Å; Y535-V550 HydrophobicContact CE1-CG2 3.7Å; Y535-V550 HydrophobicContact CE2-CG2 4.14Å; Y535-V550 HydrophobicContact CG-CB 4.35Å; Y535-V550 HydrophobicContact CG-CG2 4.06Å; V550-V560 HydrophobicContact CG1-CB 3.91Å; V550-V560 PolarHBondContact N-O 3Å; V550-V560 PolarHBondContact O-N 2.83Å; V550-L562 HydrophobicContact CB-CD1 4.15Å; V550-L562 HydrophobicContact CG1-CD1 4.05Å; V550-L562 HydrophobicContact CG1-CD2 4.06Å; V550-L562 HydrophobicContact CG1-CG 4.15Å; V550-V608 HydrophobicContact CG1-CB 4.48Å
551	V	97	Very high	96.2	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	154.3	174.3	70.2	0	0	0	0	110.4	T511 L533 V534 F536 V559	T511-V551 HydrophobicContact CG2-CG1 4.33Å; L533-V551 WeakPolarHBondContact CA-O 3.21Å; V534-V551 HydrophobicContact CG1-CG1 3.58Å; V534-V551 PolarHBondContact N-O 3Å; V534-V551 PolarHBondContact O-N 2.96Å; F536-V551 HydrophobicContact CE1-CB 4.31Å; F536-V551 HydrophobicContact CE1-CG1 3.81Å; V551-V559 HydrophobicContact CB-CG2 4.28Å; V551-V559 HydrophobicContact CG2-CG2 4.22Å
552	S	96.2	Very high	96.2	Very high	12 Å²	12	37.6 Å²	37.6	8%	0.084	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136.2	170.7	176.8	0	0	0	0	110.8	K532 E554 S555 P556	K532-S552 WeakPolarHBondContact O-CA 3.48Å; K532-S552 PolarHBondContact O-OG 3.11Å; S552-E554 PolarHBondContact OG-N 2.8Å; S552-S555 WeakPolarHBondContact CB-O 3.39Å; S552-S555 PolarHBondContact OG-N 3.2Å; S552-S555 VanDerWaalsContact OG-N 3.09Å; S552-P556 VanDerWaalsContact O-CA 3.31Å; S552-P556 WeakPolarHBondContact O-CA 3.23Å
553	Y	96.8	Very high	96.2	Very high	9 Å²	9	36.3 Å²	36.3	4%	0.035	21%	0.207	C	C	.	.	S	Bend	trans	-94.5	-4.3	172.4	66.5	-108	0	0	0	113.1	F452 I463 K477 V527 E529 K532 V534	F452-Y553 HydrophobicContact CE1-CE1 4.36Å; F452-Y553 AromaticContact CE1-CE2 3.93Å; F452-Y553 HydrophobicContact CE1-CE2 3.93Å; F452-Y553 AromaticContact CE1-CZ 3.76Å; F452-Y553 HydrophobicContact CZ-CD2 4.03Å; F452-Y553 HydrophobicContact CZ-CE1 4.36Å; F452-Y553 AromaticContact CZ-CE2 3.77Å; F452-Y553 HydrophobicContact CZ-CE2 3.77Å; F452-Y553 HydrophobicContact CZ-CG 4.44Å; F452-Y553 AromaticContact CZ-CZ 3.93Å; I463-Y553 HydrophobicContact CD1-CD1 4.41Å; I463-Y553 HydrophobicContact CD1-CG 4.38Å; K477-Y553 HydrophobicContact CD-CD2 4.19Å; K477-Y553 VanDerWaalsContact CD-O 3.26Å; K477-Y553 WeakPolarHBondContact CD-O 3.49Å; V527-Y553 HydrophobicContact CG1-CD1 4.11Å; V527-Y553 HydrophobicContact CG1-CE1 3.58Å; E529-Y553 WeakPolarHBondContact CA-OH 3.31Å; K532-Y553 VanDerWaalsContact CA-CZ 3.47Å; K532-Y553 HydrophobicContact CB-CE1 4.2Å; K532-Y553 HydrophobicContact CB-CE2 4.16Å; K532-Y553 HydrophobicContact CD-CE2 3.97Å; K532-Y553 WeakPolarHBondContact CD-OH 3.38Å; K532-Y553 VanDerWaalsContact O-CD1 3.25Å; K532-Y553 WeakPolarHBondContact O-CD1 3.42Å; K532-Y553 PolarHBondContact O-N 2.94Å; V534-Y553 HydrophobicContact CB-CD1 4.44Å
554	E	94.1	Very high	96.1	Very high	126 Å²	126	41.9 Å²	41.9	59%	0.589	23%	0.229	S	C	*	.	S	Bend	trans	-97.8	-41.6	176.7	-178.5	171.4	-133.5	0	0	111.8	K532 S552	K532-E554 HydrophobicContact CB-CB 4.05Å; K532-E554 HydrophobicContact CG-CB 4.47Å; K532-E554 WeakPolarHBondContact CG-OE2 3.42Å; S552-E554 PolarHBondContact OG-N 2.8Å
555	S	92.3	Very high	96.1	Very high	87 Å²	87	43.9 Å²	43.9	61%	0.608	24%	0.243	S	C	*	.	S	Bend	trans	-134.4	76.3	175.9	-65.7	0	0	0	0	108.2	S552 G557	S552-S555 WeakPolarHBondContact CB-O 3.39Å; S552-S555 PolarHBondContact OG-N 3.2Å; S552-S555 VanDerWaalsContact OG-N 3.09Å; S555-G557 PolarHBondContact O-N 3.17Å
556	P	92.5	Very high	96.1	Very high	53 Å²	53	44.4 Å²	44.4	34%	0.344	25%	0.253	S	S	.	.			trans	-58.7	125.4	-176.1	24.3	-33.3	0	0	0	110.3	V508 L510 S552	V508-P556 HydrophobicContact CG1-CG 3.82Å; L510-P556 HydrophobicContact CD2-CB 4.31Å; L510-P556 HydrophobicContact CD2-CG 4.35Å; S552-P556 VanDerWaalsContact O-CA 3.31Å; S552-P556 WeakPolarHBondContact O-CA 3.23Å
557	G	87.9	Confident	96.1	Very high	51 Å²	51	44 Å²	44	53%	0.526	25%	0.251	S	S	.	.			trans	-135.6	-138.7	-178.7	0	0	0	0	0	110.4	S555 V559	S555-G557 PolarHBondContact O-N 3.17Å; G557-V559 PolarHBondContact O-N 3.16Å
558	D	89.8	Confident	96.1	Very high	143 Å²	143	44.6 Å²	44.6	77%	0.765	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-66.7	128.2	178.8	-72.3	-29.8	0	0	0	111.9	V560	D558-V560 PolarHBondContact O-N 2.83Å
559	V	95.9	Very high	96	Very high	17 Å²	17	44.8 Å²	44.8	10%	0.103	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-73.8	122	171.4	-179	0	0	0	0	109	T511 F536 R540 Y549 V551 G557	T511-V559 HydrophobicContact CG2-CG2 4.43Å; F536-V559 HydrophobicContact CE1-CG1 4.14Å; F536-V559 HydrophobicContact CZ-CG1 3.57Å; F536-V559 HydrophobicContact CZ-CG2 4.41Å; R540-V559 VanDerWaalsContact NH1-CB 3.3Å; R540-V559 VanDerWaalsContact NH1-CG2 3.35Å; Y549-V559 HydrophobicContact CD1-CG1 3.68Å; Y549-V559 HydrophobicContact CG-CG1 3.87Å; V551-V559 HydrophobicContact CB-CG2 4.28Å; V551-V559 HydrophobicContact CG2-CG2 4.22Å; G557-V559 PolarHBondContact O-N 3.16Å
560	V	95.6	Very high	96	Very high	46 Å²	46	48.3 Å²	48.3	28%	0.279	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.2	-178.9	-178.7	0	0	0	0	110	Y549 V550 D558 L562	Y549-V560 CarbonylContact C-O 3.4Å; Y549-V560 VanDerWaalsContact CA-O 3.26Å; Y549-V560 WeakPolarHBondContact CA-O 3.37Å; V550-V560 HydrophobicContact CG1-CB 3.91Å; V550-V560 PolarHBondContact N-O 3Å; V550-V560 PolarHBondContact O-N 2.83Å; D558-V560 PolarHBondContact O-N 2.83Å; V560-L562 HydrophobicContact CG1-CD2 4.29Å
561	R	97.6	Very high	96	Very high	87 Å²	87	48.7 Å²	48.7	33%	0.328	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	133.3	172.4	-177.5	169.9	44.2	61	-1.9	111.2	D541 H547 Y549 T563	D541-R561 VanDerWaalsContact CG-NE 3.33Å; D541-R561 IonicContact OD1-CZ 3.72Å; D541-R561 IonicContact OD1-NE 3.77Å; D541-R561 PolarHBondContact OD1-NE 3.32Å; D541-R561 IonicContact OD1-NH2 3.33Å; D541-R561 PolarHBondContact OD1-NH2 3.05Å; D541-R561 WeakPolarHBondContact OD2-CD 3.22Å; D541-R561 IonicContact OD2-NE 2.91Å; D541-R561 PolarHBondContact OD2-NE 2.98Å; H547-R561 HydrophobicContact CB-CG 4.21Å; Y549-R561 HydrophobicContact CD1-CB 3.79Å; Y549-R561 HydrophobicContact CD1-CG 4.24Å; Y549-R561 HydrophobicContact CE1-CB 3.66Å; Y549-R561 HydrophobicContact CE1-CG 3.9Å; R561-T563 WeakPolarHBondContact CD-O 3.42Å; R561-T563 WeakPolarHBondContact CG-O 3.37Å; R561-T563 PolarHBondContact NH1-O 3.11Å
562	L	97.7	Very high	96	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.026	29%	0.288	C	S	.	.			trans	-107.9	-5.1	-178.7	-58	-179.2	0	0	0	114.1	Y535 L548 V550 V560 L598 V608 P610	Y535-L562 HydrophobicContact CD1-CD1 3.68Å; Y535-L562 HydrophobicContact CE1-CD1 3.69Å; L548-L562 HydrophobicContact CB-CB 4.45Å; L548-L562 HydrophobicContact CD2-CB 4.19Å; L548-L562 HydrophobicContact CD2-CD1 4.02Å; L548-L562 HydrophobicContact CG-CB 4.3Å; L548-L562 HydrophobicContact CG-CD1 4.2Å; L548-L562 PolarHBondContact O-N 2.79Å; V550-L562 HydrophobicContact CB-CD1 4.15Å; V550-L562 HydrophobicContact CG1-CD1 4.05Å; V550-L562 HydrophobicContact CG1-CD2 4.06Å; V550-L562 HydrophobicContact CG1-CG 4.15Å; V560-L562 HydrophobicContact CG1-CD2 4.29Å; L562-L598 HydrophobicContact CD1-CD2 4.3Å; L562-V608 HydrophobicContact CD2-CB 4.25Å; L562-V608 HydrophobicContact CD2-CG1 4.3Å; L562-V608 WeakPolarHBondContact CD2-O 3.29Å; L562-P610 VanDerWaalsContact O-CG 3.27Å; L562-P610 WeakPolarHBondContact O-CG 3.08Å
563	T	98.4	Very high	96.1	Very high	8 Å²	8	49 Å²	49	5%	0.049	29%	0.285	C	S	.	.	S	Bend	trans	-114.5	154.8	-178.8	41.4	0	0	0	0	110.8	H547 L548 R561 H569 F580	H547-T563 WeakPolarHBondContact CA-OG1 3.45Å; H547-T563 VanDerWaalsContact CB-OG1 3.3Å; H547-T563 WeakPolarHBondContact CB-OG1 3.49Å; H547-T563 PolarHBondContact ND1-OG1 3.06Å; L548-T563 HydrophobicContact CB-CG2 3.79Å; L548-T563 PolarHBondContact N-OG1 3.48Å; R561-T563 WeakPolarHBondContact CD-O 3.42Å; R561-T563 WeakPolarHBondContact CG-O 3.37Å; R561-T563 PolarHBondContact NH1-O 3.11Å; T563-H569 HydrophobicContact CG2-CB 4.07Å; T563-F580 HydrophobicContact CG2-CE2 4.14Å
564	K	97.6	Very high	96.1	Very high	142 Å²	142	48.5 Å²	48.5	62%	0.617	28%	0.283	S	S	*	.			trans	-83	131.8	-175.2	-176.8	-175.1	173.3	-176.6	0	110.2	H569	K564-H569 PolarHBondContact O-NE2 3.43Å
565	P	98.3	Very high	96	Very high	64 Å²	64	47.9 Å²	47.9	42%	0.416	28%	0.28	S	S	.	.	S	Bend	trans	-67.7	162	178	30.5	-34.5	0	0	0	111.9
566	G	98.1	Very high	96.1	Very high	29 Å²	29	47.2 Å²	47.2	30%	0.299	27%	0.27	S	S	.	.	S	Bend	trans	89.3	8.7	-175.2	0	0	0	0	0	113.8	E545 N586 N675	E545-G566 VanDerWaalsContact OE1-C 3.29Å; E545-G566 WeakPolarHBondContact OE1-CA 3.48Å; E545-G566 PolarHBondContact OE1-N 3.08Å; E545-G566 PolarHBondContact OE2-N 3.12Å; G566-N586 VanDerWaalsContact O-CB 3.29Å; G566-N586 WeakPolarHBondContact O-CB 3.31Å; G566-N586 PolarHBondContact O-ND2 3.19Å; G566-N675 PolarHBondContact O-ND2 3.18Å
567	F	98.4	Very high	96.3	Very high	36 Å²	36	46.7 Å²	46.7	16%	0.158	26%	0.262	C	S	.	.	S	Bend	trans	-145.7	147.8	176.2	-61.2	-88.7	0	0	0	109.4	E545 H547 H569 Y584 S585 N586 T589	E545-F567 PolarHBondContact OE1-N 3.06Å; H547-F567 PolarHBondContact CE1-O 2.95Å; H547-F567 VanDerWaalsContact CE1-O 3.29Å; F567-H569 PolarHBondContact O-CD2 2.89Å; F567-H569 PolarHBondContact O-NE2 2.8Å; F567-Y584 HydrophobicContact CB-CD2 3.84Å; F567-Y584 AromaticContact CD1-CD2 3.57Å; F567-Y584 HydrophobicContact CD1-CD2 3.57Å; F567-Y584 AromaticContact CD1-CE2 3.82Å; F567-Y584 HydrophobicContact CD1-CE2 3.82Å; F567-Y584 HydrophobicContact CD2-CD2 4.43Å; F567-Y584 HydrophobicContact CD2-CE2 4.44Å; F567-Y584 HydrophobicContact CE1-CD2 4.23Å; F567-Y584 HydrophobicContact CE1-CE2 4Å; F567-Y584 AromaticContact CG-CD2 3.69Å; F567-Y584 HydrophobicContact CG-CD2 3.69Å; F567-Y584 HydrophobicContact CG-CE2 4.05Å; F567-Y584 HydrophobicContact CZ-CE2 4.41Å; F567-S585 WeakPolarHBondContact CA-O 3.5Å; F567-N586 HydrophobicContact CD1-CB 3.75Å; F567-N586 WeakPolarHBondContact CD1-ND2 3.26Å; F567-N586 HydrophobicContact CE1-CB 4.23Å; F567-N586 WeakPolarHBondContact CE1-ND2 3.34Å; F567-N586 HydrophobicContact CG-CB 4.4Å; F567-T589 HydrophobicContact CE1-CG2 4.35Å
568	S	98.5	Very high	96.7	Very high	12 Å²	12	46 Å²	46	8%	0.084	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.9	167.3	-170.9	0	0	0	0	109.9	H546 Y584 S585 N675	H546-S568 PolarHBondContact N-OG 3.02Å; S568-Y584 VanDerWaalsContact O-CA 3.24Å; S568-Y584 WeakPolarHBondContact O-CA 3.23Å; S568-Y584 WeakPolarHBondContact O-CB 3.36Å; S568-S585 PolarHBondContact N-O 2.92Å; S568-S585 PolarHBondContact O-N 3.05Å; S568-N675 VanDerWaalsContact CB-O 3.3Å; S568-N675 WeakPolarHBondContact CB-O 3.31Å; S568-N675 PolarHBondContact N-O 3.39Å
569	H	98.2	Very high	97.1	Very high	5 Å²	5	39.4 Å²	39.4	2%	0.023	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	140	-169.7	-60.9	-99.5	0	0	0	112.4	Q537 H546 H547 T563 K564 F567 S582 Y584	Q537-H569 PolarHBondContact OE1-O 3.17Å; H546-H569 VanDerWaalsContact CB-O 3.31Å; H546-H569 WeakPolarHBondContact CB-O 3.37Å; H546-H569 WeakPolarHBondContact O-CB 3.26Å; H546-H569 PolarHBondContact O-CD2 3.11Å; H546-H569 PolarHBondContact O-N 3.37Å; H547-H569 AromaticContact CE1-CD2 3.69Å; H547-H569 AromaticContact CE1-NE2 3.95Å; H547-H569 AromaticContact ND1-CD2 3.44Å; H547-H569 PolarHBondContact ND1-CD2 3.38Å; H547-H569 AromaticContact ND1-NE2 3.92Å; T563-H569 HydrophobicContact CG2-CB 4.07Å; K564-H569 PolarHBondContact O-NE2 3.43Å; F567-H569 PolarHBondContact O-CD2 2.89Å; F567-H569 PolarHBondContact O-NE2 2.8Å; H569-S582 PolarHBondContact ND1-OG 3.12Å; H569-Y584 AromaticContact CE1-CG 3.73Å; H569-Y584 WeakPolarHBondContact ND1-CB 3.47Å; H569-Y584 AromaticContact ND1-CG 3.68Å
570	C	97.1	Very high	97.2	Very high	76 Å²	76	38.6 Å²	38.6	51%	0.514	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.1	163.1	-179.6	0	0	0	0	108	H583	C570-H583 HydrophobicContact CB-CB 4.42Å; C570-H583 PolarHBondContact N-O 2.86Å; C570-H583 PolarHBondContact O-N 2.85Å
571	C	97.3	Very high	97.3	Very high	10 Å²	10	36.5 Å²	36.5	7%	0.068	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	152	-169.3	-60.6	0	0	0	0	113.6	W526 L548 F580 V581 S582	W526-C571 VanDerWaalsContact CH2-O 3.23Å; W526-C571 WeakPolarHBondContact CH2-O 3.32Å; L548-C571 HydrophobicContact CB-CB 4.18Å; L548-C571 HydrophobicContact CD1-CB 4.18Å; L548-C571 HydrophobicContact CD2-CB 4.15Å; L548-C571 HydrophobicContact CG-CB 4.41Å; C571-F580 HydrophobicContact CB-CD2 4.48Å; C571-V581 CarbonylContact C-O 3.5Å; C571-V581 VanDerWaalsContact CA-O 3.22Å; C571-V581 WeakPolarHBondContact CA-O 3.49Å; C571-S582 PolarHBondContact SG-OG 2.92Å
572	S	97.2	Very high	97.3	Very high	18 Å²	18	32.3 Å²	32.3	13%	0.126	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	117.9	168.4	-173.4	0	0	0	0	110.4	F580 V581	S572-F580 CarbonylContact O-C 3.53Å; S572-F580 WeakPolarHBondContact O-CA 3.32Å; S572-F580 WeakPolarHBondContact O-CB 3.42Å; S572-V581 PolarHBondContact N-O 2.86Å; S572-V581 PolarHBondContact O-N 3.26Å
573	V	97.9	Very high	97.3	Very high	4 Å²	4	35 Å²	35	2%	0.024	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138.8	179.9	-172.7	0	0	0	0	110.4	W526 Y535 L548 F577 F580 L598	W526-V573 HydrophobicContact CB-CB 4.18Å; W526-V573 HydrophobicContact CD2-CB 3.67Å; W526-V573 HydrophobicContact CD2-CG2 3.68Å; W526-V573 HydrophobicContact CE3-CB 4.17Å; W526-V573 HydrophobicContact CE3-CG2 3.62Å; W526-V573 HydrophobicContact CG-CB 3.68Å; W526-V573 HydrophobicContact CG-CG2 4.15Å; W526-V573 HydrophobicContact CH2-CG2 4.44Å; W526-V573 HydrophobicContact CZ2-CG2 4.47Å; W526-V573 HydrophobicContact CZ3-CG2 4.02Å; W526-V573 PolarHBondContact NE1-O 2.96Å; Y535-V573 HydrophobicContact CG-CG2 4.46Å; L548-V573 HydrophobicContact CD1-CG2 4.08Å; L548-V573 HydrophobicContact CD2-CG2 4.06Å; V573-F577 HydrophobicContact CG1-CD1 4.19Å; V573-F580 HydrophobicContact CB-CB 4.39Å; V573-F580 HydrophobicContact CG2-CB 4.07Å; V573-L598 HydrophobicContact CG1-CD1 4.31Å
574	S	96.9	Very high	97.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.			trans	-59.4	144.2	175.1	174.2	0	0	0	0	111.4	N576 F577 D578 F579	S574-N576 PolarHBondContact O-N 3.23Å; S574-N576 PolarHBondContact OG-N 3.15Å; S574-F577 PolarHBondContact O-N 2.8Å; S574-D578 WeakPolarHBondContact CB-OD1 3.46Å; S574-D578 PolarHBondContact OG-OD1 2.77Å; S574-F579 WeakPolarHBondContact CB-O 2.93Å; S574-F579 PolarHBondContact N-O 3.46Å
575	Q	93.4	Very high	97.2	Very high	112 Å²	112	29.8 Å²	29.8	52%	0.523	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.5	174	-61.5	179.5	1.3	0	0	112.3	F577	Q575-F577 WeakPolarHBondContact O-CD2 3.06Å; Q575-F577 VanDerWaalsContact O-CE2 3.25Å; Q575-F577 WeakPolarHBondContact O-CE2 3.32Å
576	N	94.4	Very high	97.1	Very high	74 Å²	74	27.8 Å²	27.8	40%	0.396	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3.5	175	-62.5	91.8	0	0	0	113.2	S574 D578	S574-N576 PolarHBondContact O-N 3.23Å; S574-N576 PolarHBondContact OG-N 3.15Å; N576-D578 WeakPolarHBondContact CB-OD1 3.5Å; N576-D578 PolarHBondContact O-N 3.03Å
577	F	96	Very high	96.9	Very high	41 Å²	41	27.1 Å²	27.1	18%	0.18	14%	0.144	C	C	.	.	S	Bend	trans	58.6	26.2	178.9	-54.8	-82.5	0	0	0	115.7	W526 V527 N528 Y535 V573 S574 Q575	W526-F577 HydrophobicContact CB-CE1 3.79Å; V527-F577 WeakPolarHBondContact O-CZ 3.43Å; N528-F577 HydrophobicContact CB-CB 4.35Å; N528-F577 HydrophobicContact CB-CD1 3.69Å; N528-F577 HydrophobicContact CB-CD2 3.71Å; N528-F577 HydrophobicContact CB-CE1 3.79Å; N528-F577 HydrophobicContact CB-CE2 3.86Å; N528-F577 HydrophobicContact CB-CG 3.64Å; N528-F577 HydrophobicContact CB-CZ 3.91Å; N528-F577 VanDerWaalsContact ND2-CB 3.32Å; N528-F577 WeakPolarHBondContact ND2-CB 3.23Å; N528-F577 WeakPolarHBondContact ND2-CG 3.25Å; Y535-F577 AromaticContact CD2-CD1 3.9Å; Y535-F577 HydrophobicContact CD2-CD1 3.9Å; Y535-F577 HydrophobicContact CD2-CE1 4.17Å; Y535-F577 AromaticContact CE2-CD1 3.61Å; Y535-F577 HydrophobicContact CE2-CD1 3.61Å; Y535-F577 HydrophobicContact CE2-CE1 4.27Å; Y535-F577 HydrophobicContact CE2-CG 4.45Å; V573-F577 HydrophobicContact CG1-CD1 4.19Å; S574-F577 PolarHBondContact O-N 2.8Å; Q575-F577 WeakPolarHBondContact O-CD2 3.06Å; Q575-F577 VanDerWaalsContact O-CE2 3.25Å; Q575-F577 WeakPolarHBondContact O-CE2 3.32Å
578	D	95.6	Very high	96.6	Very high	38 Å²	38	28.3 Å²	28.3	20%	0.203	16%	0.156	C	C	.	.	S	Bend	trans	-111.9	-11.3	-177.5	64.5	-22.8	0	0	0	113.4	H93 S574 N576 L598	H93-D578 IonicContact CE1-OD2 3.53Å; H93-D578 PolarHBondContact CE1-OD2 2.95Å; H93-D578 IonicContact NE2-OD2 3.36Å; H93-D578 PolarHBondContact NE2-OD2 2.86Å; S574-D578 WeakPolarHBondContact CB-OD1 3.46Å; S574-D578 PolarHBondContact OG-OD1 2.77Å; N576-D578 WeakPolarHBondContact CB-OD1 3.5Å; N576-D578 PolarHBondContact O-N 3.03Å; D578-L598 PolarHBondContact O-N 2.76Å
579	F	98	Very high	96.3	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	157.9	176.1	-76.9	-86.7	0	0	0	111.5	F81 H93 I114 S574 L595 Y596 K597 W613	F81-F579 HydrophobicContact CD1-CB 4.34Å; F81-F579 HydrophobicContact CE1-CB 3.62Å; F81-F579 HydrophobicContact CE1-CG 4.36Å; F81-F579 HydrophobicContact CZ-CB 4.04Å; H93-F579 AromaticContact CE1-CD2 3.97Å; H93-F579 AromaticContact CE1-CE2 3.78Å; H93-F579 AromaticContact ND1-CE2 3.76Å; I114-F579 HydrophobicContact CG2-CE1 4.18Å; I114-F579 HydrophobicContact CG2-CE2 4.49Å; I114-F579 HydrophobicContact CG2-CZ 3.97Å; S574-F579 WeakPolarHBondContact CB-O 2.93Å; S574-F579 PolarHBondContact N-O 3.46Å; F579-L595 HydrophobicContact CB-CD1 4.11Å; F579-L595 HydrophobicContact CD1-CD1 3.82Å; F579-L595 HydrophobicContact CD1-CD2 4.06Å; F579-L595 HydrophobicContact CD1-CG 3.83Å; F579-L595 HydrophobicContact CE1-CD2 4.19Å; F579-L595 HydrophobicContact CE1-CG 4.33Å; F579-L595 HydrophobicContact CG-CD1 4.3Å; F579-Y596 CarbonylContact C-O 3.52Å; F579-Y596 VanDerWaalsContact CA-O 3.23Å; F579-Y596 WeakPolarHBondContact CA-O 3.33Å; F579-Y596 VanDerWaalsContact CD1-O 3.31Å; F579-Y596 WeakPolarHBondContact CD1-O 3.31Å; F579-K597 HydrophobicContact CD1-CB 3.98Å; F579-K597 HydrophobicContact CD1-CG 4.35Å; F579-K597 HydrophobicContact CE1-CB 3.54Å; F579-K597 HydrophobicContact CE1-CD 4.38Å; F579-K597 HydrophobicContact CE1-CG 3.83Å; F579-K597 HydrophobicContact CE2-CG 4.29Å; F579-K597 HydrophobicContact CZ-CB 4.03Å; F579-K597 HydrophobicContact CZ-CD 4.03Å; F579-K597 HydrophobicContact CZ-CG 3.79Å; F579-W613 HydrophobicContact CE1-CB 4.08Å; F579-W613 AromaticContact CE1-CD1 3.69Å; F579-W613 HydrophobicContact CE1-CD2 4.09Å; F579-W613 AromaticContact CE1-CG 3.69Å; F579-W613 HydrophobicContact CE1-CG 3.69Å; F579-W613 HydrophobicContact CZ-CD2 4.4Å; F579-W613 HydrophobicContact CZ-CG 4.36Å
580	F	98.3	Very high	96	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151	159	71.8	-80.9	0	0	0	111.1	L548 T563 C571 S572 V573 Y596 L598 P610	L548-F580 HydrophobicContact CD2-CB 4.31Å; L548-F580 HydrophobicContact CD2-CD1 4.26Å; L548-F580 HydrophobicContact CD2-CD2 3.7Å; L548-F580 HydrophobicContact CD2-CE2 4Å; L548-F580 HydrophobicContact CD2-CG 3.83Å; L548-F580 HydrophobicContact CD2-CZ 4.4Å; T563-F580 HydrophobicContact CG2-CE2 4.14Å; C571-F580 HydrophobicContact CB-CD2 4.48Å; S572-F580 CarbonylContact O-C 3.53Å; S572-F580 WeakPolarHBondContact O-CA 3.32Å; S572-F580 WeakPolarHBondContact O-CB 3.42Å; V573-F580 HydrophobicContact CB-CB 4.39Å; V573-F580 HydrophobicContact CG2-CB 4.07Å; F580-Y596 HydrophobicContact CD2-CD2 4.33Å; F580-Y596 HydrophobicContact CE1-CD2 4.4Å; F580-Y596 AromaticContact CE1-CG 3.94Å; F580-Y596 HydrophobicContact CE1-CG 3.94Å; F580-Y596 AromaticContact CE2-CD2 3.66Å; F580-Y596 HydrophobicContact CE2-CD2 3.66Å; F580-Y596 HydrophobicContact CE2-CE2 4.41Å; F580-Y596 HydrophobicContact CE2-CG 4.01Å; F580-Y596 VanDerWaalsContact CZ-CB 3.42Å; F580-Y596 HydrophobicContact CZ-CD1 4.29Å; F580-Y596 AromaticContact CZ-CD2 3.72Å; F580-Y596 HydrophobicContact CZ-CD2 3.72Å; F580-Y596 AromaticContact CZ-CG 3.55Å; F580-Y596 HydrophobicContact CZ-CG 3.55Å; F580-Y596 PolarHBondContact N-O 3.05Å; F580-Y596 PolarHBondContact O-N 3.42Å; F580-L598 HydrophobicContact CD1-CD1 4.3Å; F580-L598 HydrophobicContact CD1-CD2 3.48Å; F580-L598 VanDerWaalsContact CD1-CD2 3.48Å; F580-L598 HydrophobicContact CD1-CG 3.9Å; F580-L598 HydrophobicContact CE1-CD2 3.56Å; F580-L598 HydrophobicContact CE1-CG 4.42Å; F580-P610 HydrophobicContact CE1-CB 3.72Å; F580-P610 HydrophobicContact CZ-CB 3.99Å
581	V	98.4	Very high	95.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	140.4	166.9	178.1	0	0	0	0	108.7	F79 F81 L95 C571 S572 V593 H594 L595 L616	F79-V581 HydrophobicContact CD1-CG1 4.46Å; F79-V581 HydrophobicContact CD1-CG2 4.09Å; F79-V581 HydrophobicContact CD2-CB 4.21Å; F79-V581 HydrophobicContact CD2-CG1 4.17Å; F79-V581 HydrophobicContact CE1-CG1 4Å; F79-V581 HydrophobicContact CE1-CG2 4.3Å; F79-V581 HydrophobicContact CE2-CB 4.21Å; F79-V581 HydrophobicContact CE2-CG1 3.67Å; F79-V581 HydrophobicContact CG-CB 4.38Å; F79-V581 HydrophobicContact CG-CG2 4.22Å; F79-V581 HydrophobicContact CZ-CB 4.38Å; F79-V581 HydrophobicContact CZ-CG1 3.57Å; F81-V581 HydrophobicContact CE2-CG2 4.38Å; F81-V581 HydrophobicContact CZ-CG2 3.84Å; L95-V581 HydrophobicContact CD2-CG2 3.94Å; C571-V581 CarbonylContact C-O 3.5Å; C571-V581 VanDerWaalsContact CA-O 3.22Å; C571-V581 WeakPolarHBondContact CA-O 3.49Å; S572-V581 PolarHBondContact N-O 2.86Å; S572-V581 PolarHBondContact O-N 3.26Å; V581-V593 HydrophobicContact CG1-CG1 3.45Å; V581-V593 VanDerWaalsContact CG1-CG1 3.45Å; V581-H594 WeakPolarHBondContact CA-O 3.29Å; V581-L595 HydrophobicContact CG2-CD1 3.86Å; V581-L616 HydrophobicContact CG1-CD1 4.25Å; V581-L616 HydrophobicContact CG2-CD1 4.2Å
582	S	98.1	Very high	95.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.3	169.7	-168.6	0	0	0	0	110	H569 C571 V593 H594	H569-S582 PolarHBondContact ND1-OG 3.12Å; C571-S582 PolarHBondContact SG-OG 2.92Å; S582-V593 WeakPolarHBondContact O-CA 3.14Å; S582-H594 PolarHBondContact N-O 3.39Å; S582-H594 PolarHBondContact O-N 3.35Å
583	H	96.8	Very high	95.5	Very high	62 Å²	62	26.2 Å²	26.2	29%	0.287	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	112.5	163.4	171.2	-142.7	0	0	0	107.8	C570 P591 C592 V593	C570-H583 HydrophobicContact CB-CB 4.42Å; C570-H583 PolarHBondContact N-O 2.86Å; C570-H583 PolarHBondContact O-N 2.85Å; H583-P591 VanDerWaalsContact NE2-CB 3.35Å; H583-P591 WeakPolarHBondContact NE2-CB 3.45Å; H583-C592 CarbonylContact C-O 3.59Å; H583-C592 VanDerWaalsContact CA-O 3.32Å; H583-C592 WeakPolarHBondContact CA-O 3.39Å; H583-V593 HydrophobicContact CB-CG2 4.05Å
584	Y	96.8	Very high	95.5	Very high	25 Å²	25	26.7 Å²	26.7	10%	0.098	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.8	-170.9	71	-90.1	0	0	0	112.2	F567 S568 H569 P591 C592 H594	F567-Y584 HydrophobicContact CB-CD2 3.84Å; F567-Y584 AromaticContact CD1-CD2 3.57Å; F567-Y584 HydrophobicContact CD1-CD2 3.57Å; F567-Y584 AromaticContact CD1-CE2 3.82Å; F567-Y584 HydrophobicContact CD1-CE2 3.82Å; F567-Y584 HydrophobicContact CD2-CD2 4.43Å; F567-Y584 HydrophobicContact CD2-CE2 4.44Å; F567-Y584 HydrophobicContact CE1-CD2 4.23Å; F567-Y584 HydrophobicContact CE1-CE2 4Å; F567-Y584 AromaticContact CG-CD2 3.69Å; F567-Y584 HydrophobicContact CG-CD2 3.69Å; F567-Y584 HydrophobicContact CG-CE2 4.05Å; F567-Y584 HydrophobicContact CZ-CE2 4.41Å; S568-Y584 VanDerWaalsContact O-CA 3.24Å; S568-Y584 WeakPolarHBondContact O-CA 3.23Å; S568-Y584 WeakPolarHBondContact O-CB 3.36Å; H569-Y584 AromaticContact CE1-CG 3.73Å; H569-Y584 WeakPolarHBondContact ND1-CB 3.47Å; H569-Y584 AromaticContact ND1-CG 3.68Å; Y584-P591 WeakPolarHBondContact O-CA 3.46Å; Y584-C592 HydrophobicContact CD1-CB 4.45Å; Y584-C592 HydrophobicContact CE1-CB 3.91Å; Y584-C592 HydrophobicContact CE2-CB 4.23Å; Y584-C592 PolarHBondContact N-O 2.77Å; Y584-C592 PolarHBondContact O-N 2.88Å; Y584-H594 HydrophobicContact CE1-CB 4.11Å; Y584-H594 AromaticContact CE1-CG 3.91Å; Y584-H594 AromaticContact CE1-ND1 3.65Å; Y584-H594 AromaticContact CZ-ND1 3.75Å; Y584-H594 PolarHBondContact OH-CE1 3.23Å; Y584-H594 PolarHBondContact OH-ND1 2.53Å
585	S	96.4	Very high	95.6	Very high	14 Å²	14	26.7 Å²	26.7	10%	0.098	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	173.2	178.5	67.7	0	0	0	0	110	F567 S568 F677	F567-S585 WeakPolarHBondContact CA-O 3.5Å; S568-S585 PolarHBondContact N-O 2.92Å; S568-S585 PolarHBondContact O-N 3.05Å; S585-F677 PolarHBondContact OG-N 2.94Å
586	N	96.7	Very high	95.8	Very high	22 Å²	22	23.2 Å²	23.2	12%	0.118	13%	0.125	C	C	.	.			trans	-140	175.9	166.7	72.4	23.9	0	0	0	110.1	G566 F567 S588 T589 N675 S676 F677	G566-N586 VanDerWaalsContact O-CB 3.29Å; G566-N586 WeakPolarHBondContact O-CB 3.31Å; G566-N586 PolarHBondContact O-ND2 3.19Å; F567-N586 HydrophobicContact CD1-CB 3.75Å; F567-N586 WeakPolarHBondContact CD1-ND2 3.26Å; F567-N586 HydrophobicContact CE1-CB 4.23Å; F567-N586 WeakPolarHBondContact CE1-ND2 3.34Å; F567-N586 HydrophobicContact CG-CB 4.4Å; N586-S588 PolarHBondContact O-N 2.85Å; N586-S588 PolarHBondContact OD1-N 3.41Å; N586-S588 VanDerWaalsContact OD1-N 3.09Å; N586-T589 PolarHBondContact N-O 2.76Å; N586-T589 PolarHBondContact O-N 3.42Å; N586-T589 VanDerWaalsContact O-O 3.07Å; N586-T589 WeakPolarHBondContact OD1-CA 3.41Å; N586-T589 WeakPolarHBondContact OD1-CB 3.49Å; N586-T589 PolarHBondContact OD1-N 2.82Å; N586-T589 PolarHBondContact OD1-OG1 2.91Å; N586-N675 WeakPolarHBondContact CA-O 3.38Å; N586-N675 WeakPolarHBondContact CB-OD1 3.18Å; N586-S676 CarbonylContact O-C 3.52Å; N586-F677 WeakPolarHBondContact O-CA 3.45Å; N586-F677 WeakPolarHBondContact O-CB 3.45Å; N586-F677 PolarHBondContact O-N 3.35Å
587	V	95.4	Very high	96	Very high	16 Å²	16	23 Å²	23	10%	0.097	12%	0.12	C	C	.	.	S	Bend	trans	-54.5	-30.9	-174.9	-65.7	0	0	0	0	113.5	P628 I631 N675	V587-P628 VanDerWaalsContact O-CB 3.22Å; V587-P628 WeakPolarHBondContact O-CB 3.49Å; V587-I631 HydrophobicContact CG1-CD1 3.67Å; V587-I631 HydrophobicContact CG1-CG1 4.11Å; V587-N675 PolarHBondContact N-OD1 3.45Å
588	S	91.5	Very high	95.9	Very high	60 Å²	60	21.6 Å²	21.6	42%	0.42	12%	0.115	S	C	.	.	S	Bend	trans	-101.5	-21	-175.3	-54.1	0	0	0	0	114.4	N586 P628	N586-S588 PolarHBondContact O-N 2.85Å; N586-S588 PolarHBondContact OD1-N 3.41Å; N586-S588 VanDerWaalsContact OD1-N 3.09Å; S588-P628 WeakPolarHBondContact OG-CG 3.33Å
589	T	91.8	Very high	95.7	Very high	45 Å²	45	22.9 Å²	22.9	28%	0.276	12%	0.124	S	C	.	.	S	Bend	trans	-113.3	119.2	-171.6	-47	0	0	0	0	109.3	F567 N586 P619	F567-T589 HydrophobicContact CE1-CG2 4.35Å; N586-T589 PolarHBondContact N-O 2.76Å; N586-T589 PolarHBondContact O-N 3.42Å; N586-T589 VanDerWaalsContact O-O 3.07Å; N586-T589 WeakPolarHBondContact OD1-CA 3.41Å; N586-T589 WeakPolarHBondContact OD1-CB 3.49Å; N586-T589 PolarHBondContact OD1-N 2.82Å; N586-T589 PolarHBondContact OD1-OG1 2.91Å; T589-P619 HydrophobicContact CG2-CB 4.47Å
590	P	91.6	Very high	94.9	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.032	14%	0.143	C	C	.	.			trans	-54.7	159.9	174.1	-28.7	37.7	0	0	0	112.9	P619 P620 C622 F677	P590-P619 HydrophobicContact CB-CB 4.3Å; P590-P620 HydrophobicContact CB-CG 3.93Å; P590-P620 WeakPolarHBondContact CG-O 3.29Å; P590-C622 HydrophobicContact CG-CB 4.29Å; P590-F677 HydrophobicContact CB-CE1 4.44Å; P590-F677 HydrophobicContact CB-CE2 4.49Å; P590-F677 HydrophobicContact CB-CZ 4.43Å; P590-F677 HydrophobicContact CG-CD2 4.32Å; P590-F677 HydrophobicContact CG-CE1 4.39Å; P590-F677 HydrophobicContact CG-CE2 3.85Å; P590-F677 HydrophobicContact CG-CZ 3.9Å
591	P	92.1	Very high	93.9	Very high	22 Å²	22	29.3 Å²	29.3	14%	0.143	16%	0.163	C	C	.	.			trans	-63.6	142.7	-174.7	-20.4	31.8	0	0	0	114.5	H583 Y584 M617 F677	H583-P591 VanDerWaalsContact NE2-CB 3.35Å; H583-P591 WeakPolarHBondContact NE2-CB 3.45Å; Y584-P591 WeakPolarHBondContact O-CA 3.46Å; P591-M617 HydrophobicContact CB-CE 4.16Å; P591-M617 VanDerWaalsContact O-CE 3.26Å; P591-M617 WeakPolarHBondContact O-CE 3.49Å; P591-F677 HydrophobicContact CG-CB 4.43Å
592	C	93.3	Very high	92.5	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.034	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	154.5	172.1	-53.1	0	0	0	0	109.7	H583 Y584 M617 P619	H583-C592 CarbonylContact C-O 3.59Å; H583-C592 VanDerWaalsContact CA-O 3.32Å; H583-C592 WeakPolarHBondContact CA-O 3.39Å; Y584-C592 HydrophobicContact CD1-CB 4.45Å; Y584-C592 HydrophobicContact CE1-CB 3.91Å; Y584-C592 HydrophobicContact CE2-CB 4.23Å; Y584-C592 PolarHBondContact N-O 2.77Å; Y584-C592 PolarHBondContact O-N 2.88Å; C592-M617 WeakPolarHBondContact CA-O 3.32Å; C592-P619 VanDerWaalsContact SG-CB 3.6Å; C592-P619 WeakPolarHBondContact SG-CD 3.06Å; C592-P619 VanDerWaalsContact SG-CG 3.59Å
593	V	96.6	Very high	91.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	110.4	169.8	-176.2	0	0	0	0	108.9	A75 F79 V581 S582 H583 L616 M617	A75-V593 HydrophobicContact CB-CG2 4.19Å; F79-V593 HydrophobicContact CZ-CG1 3.9Å; V581-V593 HydrophobicContact CG1-CG1 3.45Å; V581-V593 VanDerWaalsContact CG1-CG1 3.45Å; S582-V593 WeakPolarHBondContact O-CA 3.14Å; H583-V593 HydrophobicContact CB-CG2 4.05Å; V593-L616 HydrophobicContact CB-CB 4.09Å; V593-L616 HydrophobicContact CG1-CB 3.88Å; V593-L616 HydrophobicContact CG1-CD1 3.9Å; V593-L616 WeakPolarHBondContact O-CA 3.29Å; V593-L616 WeakPolarHBondContact O-CB 3.24Å; V593-L616 PolarHBondContact O-N 2.96Å; V593-M617 HydrophobicContact CB-CB 3.82Å; V593-M617 HydrophobicContact CG2-CB 3.99Å; V593-M617 HydrophobicContact CG2-CE 4.01Å; V593-M617 HydrophobicContact CG2-SD 4.45Å; V593-M617 PolarHBondContact N-O 3.17Å; V593-M617 PolarHBondContact O-N 3.37Å
594	H	97.8	Very high	90.3	Very high	15 Å²	15	46.5 Å²	46.5	7%	0.069	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	149.1	-178.3	-68.8	174.7	0	0	0	111.8	V581 S582 Y584 Y596 F612 S615 E618	V581-H594 WeakPolarHBondContact CA-O 3.29Å; S582-H594 PolarHBondContact N-O 3.39Å; S582-H594 PolarHBondContact O-N 3.35Å; Y584-H594 HydrophobicContact CE1-CB 4.11Å; Y584-H594 AromaticContact CE1-CG 3.91Å; Y584-H594 AromaticContact CE1-ND1 3.65Å; Y584-H594 AromaticContact CZ-ND1 3.75Å; Y584-H594 PolarHBondContact OH-CE1 3.23Å; Y584-H594 PolarHBondContact OH-ND1 2.53Å; H594-Y596 HydrophobicContact CB-CD2 4.38Å; H594-Y596 HydrophobicContact CB-CE2 3.61Å; H594-F612 HydrophobicContact CB-CD2 4.31Å; H594-F612 HydrophobicContact CB-CE2 4.01Å; H594-F612 AromaticContact CE1-CE2 3.91Å; H594-F612 AromaticContact CG-CE2 3.67Å; H594-F612 AromaticContact ND1-CD2 3.95Å; H594-F612 AromaticContact ND1-CE2 3.55Å; H594-S615 PolarHBondContact CD2-OG 3.41Å; H594-E618 IonicContact CD2-OE1 3.58Å; H594-E618 IonicContact CE1-OE1 3.5Å; H594-E618 IonicContact NE2-OE1 2.72Å; H594-E618 PolarHBondContact NE2-OE1 3.5Å
595	L	98.3	Very high	89.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.2	176.2	178.7	71	0	0	0	109.4	F81 I114 L126 F579 V581 W613 A614	F81-L595 HydrophobicContact CE1-CD1 3.79Å; F81-L595 HydrophobicContact CZ-CD1 3.92Å; I114-L595 HydrophobicContact CB-CD2 4.43Å; I114-L595 HydrophobicContact CD1-CD1 4.31Å; I114-L595 HydrophobicContact CD1-CD2 3.57Å; I114-L595 HydrophobicContact CG1-CD2 3.71Å; I114-L595 HydrophobicContact CG2-CD2 3.88Å; L126-L595 HydrophobicContact CD1-CD2 4.31Å; F579-L595 HydrophobicContact CB-CD1 4.11Å; F579-L595 HydrophobicContact CD1-CD1 3.82Å; F579-L595 HydrophobicContact CD1-CD2 4.06Å; F579-L595 HydrophobicContact CD1-CG 3.83Å; F579-L595 HydrophobicContact CE1-CD2 4.19Å; F579-L595 HydrophobicContact CE1-CG 4.33Å; F579-L595 HydrophobicContact CG-CD1 4.3Å; V581-L595 HydrophobicContact CG2-CD1 3.86Å; L595-W613 HydrophobicContact CD2-CB 4.48Å; L595-W613 HydrophobicContact CG-CB 4.41Å; L595-W613 WeakPolarHBondContact O-CB 3.31Å; L595-W613 PolarHBondContact O-N 2.71Å; L595-A614 PolarHBondContact N-O 3.42Å; L595-A614 PolarHBondContact O-N 3.14Å
596	Y	98.3	Very high	87.9	Confident	39 Å²	39	52.6 Å²	52.6	15%	0.153	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.4	179.6	-66	-93.5	0	0	0	110.2	F579 F580 H594 P610 E611 F612	F579-Y596 CarbonylContact C-O 3.52Å; F579-Y596 VanDerWaalsContact CA-O 3.23Å; F579-Y596 WeakPolarHBondContact CA-O 3.33Å; F579-Y596 VanDerWaalsContact CD1-O 3.31Å; F579-Y596 WeakPolarHBondContact CD1-O 3.31Å; F580-Y596 HydrophobicContact CD2-CD2 4.33Å; F580-Y596 HydrophobicContact CE1-CD2 4.4Å; F580-Y596 AromaticContact CE1-CG 3.94Å; F580-Y596 HydrophobicContact CE1-CG 3.94Å; F580-Y596 AromaticContact CE2-CD2 3.66Å; F580-Y596 HydrophobicContact CE2-CD2 3.66Å; F580-Y596 HydrophobicContact CE2-CE2 4.41Å; F580-Y596 HydrophobicContact CE2-CG 4.01Å; F580-Y596 VanDerWaalsContact CZ-CB 3.42Å; F580-Y596 HydrophobicContact CZ-CD1 4.29Å; F580-Y596 AromaticContact CZ-CD2 3.72Å; F580-Y596 HydrophobicContact CZ-CD2 3.72Å; F580-Y596 AromaticContact CZ-CG 3.55Å; F580-Y596 HydrophobicContact CZ-CG 3.55Å; F580-Y596 PolarHBondContact N-O 3.05Å; F580-Y596 PolarHBondContact O-N 3.42Å; H594-Y596 HydrophobicContact CB-CD2 4.38Å; H594-Y596 HydrophobicContact CB-CE2 3.61Å; Y596-P610 HydrophobicContact CD1-CB 4.49Å; Y596-E611 CarbonylContact C-O 3.6Å; Y596-E611 VanDerWaalsContact CA-O 3.24Å; Y596-E611 WeakPolarHBondContact CA-O 3.31Å; Y596-F612 HydrophobicContact CD1-CB 4.29Å; Y596-F612 HydrophobicContact CE1-CB 4.08Å; Y596-F612 HydrophobicContact CE1-CD2 4.31Å
597	K	97.5	Very high	87.3	Confident	68 Å²	68	58.4 Å²	58.4	30%	0.296	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.7	172.2	-170.4	177.8	179	-173.9	0	109.6	F579 P610 E611 W613	F579-K597 HydrophobicContact CD1-CB 3.98Å; F579-K597 HydrophobicContact CD1-CG 4.35Å; F579-K597 HydrophobicContact CE1-CB 3.54Å; F579-K597 HydrophobicContact CE1-CD 4.38Å; F579-K597 HydrophobicContact CE1-CG 3.83Å; F579-K597 HydrophobicContact CE2-CG 4.29Å; F579-K597 HydrophobicContact CZ-CB 4.03Å; F579-K597 HydrophobicContact CZ-CD 4.03Å; F579-K597 HydrophobicContact CZ-CG 3.79Å; K597-P610 CarbonylContact O-C 3.58Å; K597-P610 WeakPolarHBondContact O-CA 3.37Å; K597-E611 PolarHBondContact N-O 2.92Å; K597-E611 PolarHBondContact O-N 3.33Å; K597-W613 HydrophobicContact CB-CD2 4.23Å; K597-W613 HydrophobicContact CB-CE3 3.85Å; K597-W613 HydrophobicContact CB-CZ3 4.44Å; K597-W613 HydrophobicContact CD-CD2 4.38Å; K597-W613 HydrophobicContact CD-CE3 3.85Å; K597-W613 HydrophobicContact CD-CH2 3.95Å; K597-W613 HydrophobicContact CD-CZ2 4.45Å; K597-W613 HydrophobicContact CD-CZ3 3.61Å; K597-W613 HydrophobicContact CG-CE3 4.49Å
598	L	95.7	Very high	86.9	Confident	13 Å²	13	57.8 Å²	57.8	7%	0.068	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.2	174.5	-62.4	175.7	0	0	0	109.1	Y535 L562 V573 D578 F580 V608	Y535-L598 HydrophobicContact CE1-CD1 4.02Å; L562-L598 HydrophobicContact CD1-CD2 4.3Å; V573-L598 HydrophobicContact CG1-CD1 4.31Å; D578-L598 PolarHBondContact O-N 2.76Å; F580-L598 HydrophobicContact CD1-CD1 4.3Å; F580-L598 HydrophobicContact CD1-CD2 3.48Å; F580-L598 VanDerWaalsContact CD1-CD2 3.48Å; F580-L598 HydrophobicContact CD1-CG 3.9Å; F580-L598 HydrophobicContact CE1-CD2 3.56Å; F580-L598 HydrophobicContact CE1-CG 4.42Å; L598-V608 HydrophobicContact CB-CG1 3.9Å; L598-V608 HydrophobicContact CD2-CG1 3.7Å; L598-V608 HydrophobicContact CG-CG1 4.24Å
599	T	90.1	Very high	87	Confident	65 Å²	65	58 Å²	58	40%	0.399	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.6	175.8	-51.4	0	0	0	0	109.1	V609	T599-V609 PolarHBondContact N-O 3.06Å; T599-V609 PolarHBondContact O-N 2.87Å
600	S	82.4	Confident	87.2	Confident	58 Å²	58	57.9 Å²	57.9	41%	0.406	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	144.7	169.6	-64.1	0	0	0	0	110.2	P605	S600-P605 PolarHBondContact OG-O 3.47Å; S600-P605 VanDerWaalsContact OG-O 3.13Å
601	L	75.9	Confident	87.4	Confident	80 Å²	80	60.6 Å²	60.6	42%	0.419	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	141.3	173	-66.2	171.8	0	0	0	110.2	D603 D604 R607 V609	L601-D603 PolarHBondContact O-N 3.19Å; L601-D604 CarbonylContact O-C 3.6Å; L601-D604 VanDerWaalsContact O-C 3.26Å; L601-D604 PolarHBondContact O-N 2.9Å; L601-R607 HydrophobicContact CD1-CB 4.12Å; L601-R607 HydrophobicContact CD1-CG 3.84Å; L601-R607 PolarHBondContact N-O 3.27Å; L601-V609 HydrophobicContact CD1-CG2 4.37Å; L601-V609 HydrophobicContact CD2-CG2 4.33Å; L601-V609 HydrophobicContact CG-CG2 4.18Å
602	E	69.5	Low	87.6	Confident	194 Å²	194	63 Å²	63	91%	0.907	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.7	179.7	-69.4	-176.5	172.2	0	0	112.2
603	D	72.6	Confident	87.8	Confident	167 Å²	167	63.7 Å²	63.7	89%	0.893	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-15.8	-178.5	-60.5	-40.9	0	0	0	114	L601	L601-D603 PolarHBondContact O-N 3.19Å
604	D	76.3	Confident	87.8	Confident	64 Å²	64	63.7 Å²	63.7	34%	0.342	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	89.5	-179.4	-174.9	-1.8	0	0	0	110.5	L601 L606 R607	L601-D604 CarbonylContact O-C 3.6Å; L601-D604 VanDerWaalsContact O-C 3.26Å; L601-D604 PolarHBondContact O-N 2.9Å; D604-L606 PolarHBondContact O-N 3.22Å; D604-L606 VanDerWaalsContact O-N 3.11Å; D604-L606 WeakPolarHBondContact OD1-CB 3.48Å; D604-L606 PolarHBondContact OD1-N 3.46Å; D604-R607 HydrophobicContact CB-CB 3.98Å; D604-R607 WeakPolarHBondContact O-CB 3.21Å; D604-R607 PolarHBondContact O-N 3.14Å; D604-R607 WeakPolarHBondContact OD2-CB 3.34Å
605	P	70.4	Confident	87.7	Confident	83 Å²	83	63 Å²	63	54%	0.539	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	-22.4	-178.9	-25	34.3	0	0	0	114.2	S600 R607	S600-P605 PolarHBondContact OG-O 3.47Å; S600-P605 VanDerWaalsContact OG-O 3.13Å; P605-R607 VanDerWaalsContact C-N 3.29Å
606	L	72.8	Confident	87.6	Confident	84 Å²	84	63.1 Å²	63.1	44%	0.44	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-16.9	178	-60.8	172.9	0	0	0	111.9	L533 D604 V608	L533-L606 HydrophobicContact CD2-CD2 3.83Å; L533-L606 HydrophobicContact CG-CD2 4.44Å; D604-L606 PolarHBondContact O-N 3.22Å; D604-L606 VanDerWaalsContact O-N 3.11Å; D604-L606 WeakPolarHBondContact OD1-CB 3.48Å; D604-L606 PolarHBondContact OD1-N 3.46Å; L606-V608 PolarHBondContact O-N 3.15Å
607	R	83.5	Confident	87.3	Confident	143 Å²	143	62.5 Å²	62.5	54%	0.54	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	95.3	179.4	-165.8	161.6	-176.6	154.6	4.1	111.1	L601 D604 P605	L601-R607 HydrophobicContact CD1-CB 4.12Å; L601-R607 HydrophobicContact CD1-CG 3.84Å; L601-R607 PolarHBondContact N-O 3.27Å; D604-R607 HydrophobicContact CB-CB 3.98Å; D604-R607 WeakPolarHBondContact O-CB 3.21Å; D604-R607 PolarHBondContact O-N 3.14Å; D604-R607 WeakPolarHBondContact OD2-CB 3.34Å; P605-R607 VanDerWaalsContact C-N 3.29Å
608	V	87.2	Confident	87	Confident	4 Å²	4	62.7 Å²	62.7	2%	0.024	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	129.9	178.6	-174.5	0	0	0	0	110.4	L533 V550 L562 L598 L606	L533-V608 HydrophobicContact CD1-CG2 3.77Å; V550-V608 HydrophobicContact CG1-CB 4.48Å; L562-V608 HydrophobicContact CD2-CB 4.25Å; L562-V608 HydrophobicContact CD2-CG1 4.3Å; L562-V608 WeakPolarHBondContact CD2-O 3.29Å; L598-V608 HydrophobicContact CB-CG1 3.9Å; L598-V608 HydrophobicContact CD2-CG1 3.7Å; L598-V608 HydrophobicContact CG-CG1 4.24Å; L606-V608 PolarHBondContact O-N 3.15Å
609	V	92.8	Very high	86.3	Confident	64 Å²	64	64.3 Å²	64.3	39%	0.388	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.9	177.4	-176.4	0	0	0	0	110.3	T599 L601	T599-V609 PolarHBondContact N-O 3.06Å; T599-V609 PolarHBondContact O-N 2.87Å; L601-V609 HydrophobicContact CD1-CG2 4.37Å; L601-V609 HydrophobicContact CD2-CG2 4.33Å; L601-V609 HydrophobicContact CG-CG2 4.18Å
610	P	96.1	Very high	85.6	Confident	43 Å²	43	63.3 Å²	63.3	28%	0.279	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	129.5	175	35	-36.6	0	0	0	111.3	L562 F580 Y596 K597	L562-P610 VanDerWaalsContact O-CG 3.27Å; L562-P610 WeakPolarHBondContact O-CG 3.08Å; F580-P610 HydrophobicContact CE1-CB 3.72Å; F580-P610 HydrophobicContact CZ-CB 3.99Å; Y596-P610 HydrophobicContact CD1-CB 4.49Å; K597-P610 CarbonylContact O-C 3.58Å; K597-P610 WeakPolarHBondContact O-CA 3.37Å
611	E	95.7	Very high	84.9	Confident	61 Å²	61	64 Å²	64	29%	0.285	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.4	171	-176.9	174.8	-161.6	0	0	109.8	K120 Y596 K597 W613	K120-E611 WeakPolarHBondContact CE-OE1 3.46Å; K120-E611 IonicContact NZ-OE1 2.78Å; K120-E611 PolarHBondContact NZ-OE1 3.48Å; K120-E611 IonicContact NZ-OE2 2.88Å; Y596-E611 CarbonylContact C-O 3.6Å; Y596-E611 VanDerWaalsContact CA-O 3.24Å; Y596-E611 WeakPolarHBondContact CA-O 3.31Å; K597-E611 PolarHBondContact N-O 2.92Å; K597-E611 PolarHBondContact O-N 3.33Å; E611-W613 PolarHBondContact O-N 3.39Å
612	F	96.6	Very high	84.4	Confident	74 Å²	74	62.8 Å²	62.8	33%	0.325	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	126.6	173	172.8	-91.2	0	0	0	110.1	L123 H594 Y596	L123-F612 HydrophobicContact CD1-CE1 3.88Å; L123-F612 HydrophobicContact CD1-CZ 3.48Å; L123-F612 VanDerWaalsContact CD1-CZ 3.48Å; H594-F612 HydrophobicContact CB-CD2 4.31Å; H594-F612 HydrophobicContact CB-CE2 4.01Å; H594-F612 AromaticContact CE1-CE2 3.91Å; H594-F612 AromaticContact CG-CE2 3.67Å; H594-F612 AromaticContact ND1-CD2 3.95Å; H594-F612 AromaticContact ND1-CE2 3.55Å; Y596-F612 HydrophobicContact CD1-CB 4.29Å; Y596-F612 HydrophobicContact CE1-CB 4.08Å; Y596-F612 HydrophobicContact CE1-CD2 4.31Å
613	W	97.1	Very high	84.3	Confident	19 Å²	19	54.9 Å²	54.9	7%	0.072	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-52	-176.9	-158	-109	0	0	0	112.4	P115 K116 V118 F579 L595 K597 E611	P115-W613 WeakPolarHBondContact O-CZ2 3.32Å; P115-W613 PolarHBondContact O-NE1 3.16Å; K116-W613 WeakPolarHBondContact O-CZ2 3.37Å; V118-W613 HydrophobicContact CG1-CD2 4.05Å; V118-W613 HydrophobicContact CG1-CG 4.29Å; V118-W613 HydrophobicContact CG1-CZ2 4.11Å; V118-W613 HydrophobicContact CG2-CD2 3.92Å; V118-W613 HydrophobicContact CG2-CE3 3.75Å; V118-W613 HydrophobicContact CG2-CH2 4.03Å; V118-W613 HydrophobicContact CG2-CZ2 4.2Å; V118-W613 HydrophobicContact CG2-CZ3 3.8Å; F579-W613 HydrophobicContact CE1-CB 4.08Å; F579-W613 AromaticContact CE1-CD1 3.69Å; F579-W613 HydrophobicContact CE1-CD2 4.09Å; F579-W613 AromaticContact CE1-CG 3.69Å; F579-W613 HydrophobicContact CE1-CG 3.69Å; F579-W613 HydrophobicContact CZ-CD2 4.4Å; F579-W613 HydrophobicContact CZ-CG 4.36Å; L595-W613 HydrophobicContact CD2-CB 4.48Å; L595-W613 HydrophobicContact CG-CB 4.41Å; L595-W613 WeakPolarHBondContact O-CB 3.31Å; L595-W613 PolarHBondContact O-N 2.71Å; K597-W613 HydrophobicContact CB-CD2 4.23Å; K597-W613 HydrophobicContact CB-CE3 3.85Å; K597-W613 HydrophobicContact CB-CZ3 4.44Å; K597-W613 HydrophobicContact CD-CD2 4.38Å; K597-W613 HydrophobicContact CD-CE3 3.85Å; K597-W613 HydrophobicContact CD-CH2 3.95Å; K597-W613 HydrophobicContact CD-CZ2 4.45Å; K597-W613 HydrophobicContact CD-CZ3 3.61Å; K597-W613 HydrophobicContact CG-CE3 4.49Å; E611-W613 PolarHBondContact O-N 3.39Å
614	A	97.4	Very high	84	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	162.3	-177.9	0	0	0	0	0	111.9	L124 L126 L595	L124-A614 HydrophobicContact CB-CB 4.3Å; L124-A614 HydrophobicContact CD2-CB 3.95Å; L124-A614 HydrophobicContact CG-CB 4.1Å; L124-A614 WeakPolarHBondContact O-CA 3.41Å; L126-A614 HydrophobicContact CD1-CB 3.99Å; L126-A614 HydrophobicContact CD2-CB 3.76Å; L126-A614 HydrophobicContact CG-CB 3.68Å; L595-A614 PolarHBondContact N-O 3.42Å; L595-A614 PolarHBondContact O-N 3.14Å
615	S	96.4	Very high	84.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134.5	171.3	-179.2	0	0	0	0	111.5	L124 V125 L126 H594 M617 E618	L124-S615 PolarHBondContact O-N 3.27Å; V125-S615 CarbonylContact C-O 3.58Å; V125-S615 WeakPolarHBondContact CA-O 3.47Å; L126-S615 PolarHBondContact N-O 2.78Å; H594-S615 PolarHBondContact CD2-OG 3.41Å; S615-M617 PolarHBondContact OG-N 3.22Å; S615-E618 WeakPolarHBondContact CB-OE1 3.47Å; S615-E618 PolarHBondContact OG-OE1 2.84Å
616	L	94.6	Very high	84.8	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.016	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-38.2	165.2	-79.1	141.5	0	0	0	110.7	F79 L95 Y97 L126 W128 V581 V593	F79-L616 HydrophobicContact CE1-CD1 4.27Å; L95-L616 HydrophobicContact CD2-CD1 3.77Å; L95-L616 HydrophobicContact CD2-CD2 4.3Å; Y97-L616 HydrophobicContact CE1-CD2 3.77Å; L126-L616 HydrophobicContact CB-CD2 4.48Å; L126-L616 HydrophobicContact CD1-CD2 4.38Å; L126-L616 HydrophobicContact CD1-CG 4.25Å; W128-L616 WeakPolarHBondContact CZ2-O 3.3Å; W128-L616 PolarHBondContact NE1-O 3.18Å; V581-L616 HydrophobicContact CG1-CD1 4.25Å; V581-L616 HydrophobicContact CG2-CD1 4.2Å; V593-L616 HydrophobicContact CB-CB 4.09Å; V593-L616 HydrophobicContact CG1-CB 3.88Å; V593-L616 HydrophobicContact CG1-CD1 3.9Å; V593-L616 WeakPolarHBondContact O-CA 3.29Å; V593-L616 WeakPolarHBondContact O-CB 3.24Å; V593-L616 PolarHBondContact O-N 2.96Å
617	M	92.5	Very high	85.7	Confident	26 Å²	26	49.2 Å²	49.2	13%	0.128	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	118.7	-178.9	-166.1	176.6	84	0	0	109.3	A75 W128 P591 C592 V593 S615	A75-M617 HydrophobicContact CB-CE 3.83Å; A75-M617 HydrophobicContact CB-SD 4.02Å; W128-M617 HydrophobicContact CH2-SD 4.48Å; W128-M617 HydrophobicContact CZ2-CB 4.17Å; W128-M617 HydrophobicContact CZ2-CG 4.35Å; P591-M617 HydrophobicContact CB-CE 4.16Å; P591-M617 VanDerWaalsContact O-CE 3.26Å; P591-M617 WeakPolarHBondContact O-CE 3.49Å; C592-M617 WeakPolarHBondContact CA-O 3.32Å; V593-M617 HydrophobicContact CB-CB 3.82Å; V593-M617 HydrophobicContact CG2-CB 3.99Å; V593-M617 HydrophobicContact CG2-CE 4.01Å; V593-M617 HydrophobicContact CG2-SD 4.45Å; V593-M617 PolarHBondContact N-O 3.17Å; V593-M617 PolarHBondContact O-N 3.37Å; S615-M617 PolarHBondContact OG-N 3.22Å
618	E	90.5	Very high	86.2	Confident	72 Å²	72	44.8 Å²	44.8	34%	0.336	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-84	153.3	170.3	-74.5	-56.6	115.6	0	0	110.4	L123 H594 S615	L123-E618 HydrophobicContact CD2-CG 4.26Å; H594-E618 IonicContact CD2-OE1 3.58Å; H594-E618 IonicContact CE1-OE1 3.5Å; H594-E618 IonicContact NE2-OE1 2.72Å; H594-E618 PolarHBondContact NE2-OE1 3.5Å; S615-E618 WeakPolarHBondContact CB-OE1 3.47Å; S615-E618 PolarHBondContact OG-OE1 2.84Å
619	P	82.8	Confident	86.7	Confident	46 Å²	46	44.8 Å²	44.8	30%	0.299	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-64.1	128.8	-179.3	25.6	-27.7	0	0	0	108.3	T589 P590 C592 G621	T589-P619 HydrophobicContact CG2-CB 4.47Å; P590-P619 HydrophobicContact CB-CB 4.3Å; C592-P619 VanDerWaalsContact SG-CB 3.6Å; C592-P619 WeakPolarHBondContact SG-CD 3.06Å; C592-P619 VanDerWaalsContact SG-CG 3.59Å; P619-G621 PolarHBondContact O-N 2.77Å
620	P	74	Confident	86.9	Confident	45 Å²	45	45.4 Å²	45.4	29%	0.292	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-57.6	141.1	166.5	22.8	-29.2	0	0	0	107.9	I71 P590 C622	I71-P620 HydrophobicContact CB-CG 4.48Å; I71-P620 HydrophobicContact CG1-CB 4.44Å; I71-P620 HydrophobicContact CG1-CG 4.3Å; I71-P620 HydrophobicContact CG2-CG 3.76Å; P590-P620 HydrophobicContact CB-CG 3.93Å; P590-P620 WeakPolarHBondContact CG-O 3.29Å; P620-C622 PolarHBondContact O-N 3.02Å
621	G	67.9	Low	87	Confident	71 Å²	71	45.4 Å²	45.4	73%	0.732	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-51.5	128.4	174.6	0	0	0	0	0	109.6	P619	P619-G621 PolarHBondContact O-N 2.77Å
622	C	65.6	Low	87.2	Confident	55 Å²	55	42.6 Å²	42.6	37%	0.372	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-61.8	131.4	177.9	-163.6	0	0	0	0	108.7	P590 P620 G624 Y626	P590-C622 HydrophobicContact CG-CB 4.29Å; P620-C622 PolarHBondContact O-N 3.02Å; C622-G624 PolarHBondContact O-N 2.79Å; C622-Y626 VanDerWaalsContact SG-CD1 3.56Å
623	P	66.9	Low	87.2	Confident	29 Å²	29	42.6 Å²	42.6	19%	0.188	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-55.1	137.9	174.7	-23.7	33.2	0	0	0	110.2	I71 D625 Y626	I71-P623 HydrophobicContact CD1-CG 3.95Å; P623-D625 PolarHBondContact O-N 2.77Å; P623-Y626 PolarHBondContact O-N 2.92Å
624	G	67.9	Low	87.3	Confident	75 Å²	75	42 Å²	42	77%	0.773	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.3	178.5	0	0	0	0	0	113.8	C622	C622-G624 PolarHBondContact O-N 2.79Å
625	D	76.7	Confident	87.3	Confident	113 Å²	113	46.7 Å²	46.7	60%	0.604	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-0.7	-177.2	-53	-27	0	0	0	113.5	P623 H650 N686	P623-D625 PolarHBondContact O-N 2.77Å; D625-H650 PolarHBondContact O-CE1 2.97Å; D625-N686 PolarHBondContact O-ND2 2.71Å
626	Y	86.8	Confident	87.2	Confident	14 Å²	14	47 Å²	47	6%	0.055	30%	0.299	C	S	.	.			trans	-89.8	113.6	174.3	-179.2	-100.8	0	0	0	110.6	C622 P623 P628 F677 G679 L683 N686	C622-Y626 VanDerWaalsContact SG-CD1 3.56Å; P623-Y626 PolarHBondContact O-N 2.92Å; Y626-P628 HydrophobicContact CE1-CB 3.91Å; Y626-F677 AromaticContact CD1-CE2 3.92Å; Y626-F677 HydrophobicContact CD1-CE2 3.92Å; Y626-F677 HydrophobicContact CD1-CZ 4.1Å; Y626-F677 HydrophobicContact CE1-CD2 4.28Å; Y626-F677 AromaticContact CE1-CE2 3.41Å; Y626-F677 HydrophobicContact CE1-CE2 3.41Å; Y626-F677 VanDerWaalsContact CE1-CE2 3.41Å; Y626-F677 AromaticContact CE1-CZ 3.83Å; Y626-F677 HydrophobicContact CE1-CZ 3.83Å; Y626-G679 PolarHBondContact OH-N 3.03Å; Y626-G679 VanDerWaalsContact OH-N 3.1Å; Y626-L683 HydrophobicContact CD2-CD1 4.13Å; Y626-N686 HydrophobicContact CD2-CB 3.93Å; Y626-N686 HydrophobicContact CE2-CB 3.94Å
627	N	91.4	Very high	87.2	Confident	77 Å²	77	54.8 Å²	54.8	41%	0.412	33%	0.333	S	S	.	.			trans	-102.6	113.5	171.5	-69.3	-36.5	0	0	0	108.8	H650 N686	N627-H650 PolarHBondContact ND2-CD2 2.56Å; N627-H650 PolarHBondContact ND2-CE1 3.41Å; N627-H650 VanDerWaalsContact ND2-CE1 3.26Å; N627-H650 PolarHBondContact ND2-ND1 3.33Å; N627-H650 PolarHBondContact ND2-NE2 2.99Å; N627-N686 PolarHBondContact N-OD1 2.68Å; N627-N686 PolarHBondContact O-OD1 3.11Å; N627-N686 VanDerWaalsContact O-OD1 3.04Å
628	P	93.7	Very high	87.3	Confident	49 Å²	49	55.4 Å²	55.4	32%	0.318	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-65	151.8	-179.5	28.6	-35.4	0	0	0	111.1	V587 S588 Y626	V587-P628 VanDerWaalsContact O-CB 3.22Å; V587-P628 WeakPolarHBondContact O-CB 3.49Å; S588-P628 WeakPolarHBondContact OG-CG 3.33Å; Y626-P628 HydrophobicContact CE1-CB 3.91Å
629	P	97	Very high	87.5	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.032	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-67.3	153.5	173.1	29.7	-33.4	0	0	0	111.4	M645 V646 Y647 K678	P629-M645 HydrophobicContact CB-CB 3.97Å; P629-M645 HydrophobicContact CB-CG 4.33Å; P629-M645 HydrophobicContact CB-SD 4.35Å; P629-M645 HydrophobicContact CG-CB 4.5Å; P629-M645 HydrophobicContact CG-CG 4.4Å; P629-M645 HydrophobicContact CG-SD 3.84Å; P629-V646 WeakPolarHBondContact CA-O 3.42Å; P629-Y647 HydrophobicContact CB-CD1 4.02Å; P629-Y647 HydrophobicContact CB-CD2 3.91Å; P629-Y647 HydrophobicContact CB-CE1 3.82Å; P629-Y647 HydrophobicContact CB-CE2 3.68Å; P629-Y647 HydrophobicContact CB-CG 4.07Å; P629-Y647 HydrophobicContact CG-CE1 3.87Å; P629-Y647 HydrophobicContact CG-CE2 4.08Å; P629-K678 HydrophobicContact CG-CG 4.25Å
630	E	97.9	Very high	88.2	Confident	76 Å²	76	55.7 Å²	55.7	36%	0.355	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.9	166.3	-174.1	179.3	147.2	0	0	109.1	M645 V646 K648	E630-M645 CarbonylContact O-C 3.59Å; E630-M645 WeakPolarHBondContact O-CA 3.46Å; E630-V646 HydrophobicContact CB-CG1 4.01Å; E630-V646 PolarHBondContact N-O 2.86Å; E630-V646 PolarHBondContact O-N 2.86Å; E630-K648 WeakPolarHBondContact OE2-CE 2.91Å; E630-K648 IonicContact OE2-NZ 3.4Å; E630-K648 PolarHBondContact OE2-NZ 3.09Å
631	I	98.6	Very high	89.3	Confident	43 Å²	43	56.4 Å²	56.4	22%	0.221	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	135.4	170.2	-64	172.3	0	0	0	108.4	L544 V587 G644 M645 V673 N675	L544-I631 HydrophobicContact CD1-CD1 4.5Å; L544-I631 HydrophobicContact CD1-CG2 3.95Å; V587-I631 HydrophobicContact CG1-CD1 3.67Å; V587-I631 HydrophobicContact CG1-CG1 4.11Å; I631-G644 CarbonylContact C-O 3.53Å; I631-G644 WeakPolarHBondContact CA-O 3.5Å; I631-M645 HydrophobicContact CG1-CG 3.98Å; I631-V673 HydrophobicContact CG2-CG1 4.21Å; I631-N675 HydrophobicContact CD1-CB 4.24Å
632	F	98.3	Very high	90.8	Very high	2 Å²	2	53 Å²	53	1%	0.009	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	166.1	172	68.3	-90.8	0	0	0	110.3	F634 G644 V646 V696 I698 Y732 V733 F737	F632-F634 HydrophobicContact CD2-CD1 4.18Å; F632-F634 AromaticContact CE2-CD1 3.82Å; F632-F634 HydrophobicContact CE2-CD1 3.82Å; F632-F634 HydrophobicContact CE2-CE1 4.04Å; F632-G644 VanDerWaalsContact CE1-C 3.44Å; F632-G644 PolarHBondContact N-O 2.76Å; F632-G644 PolarHBondContact O-N 3.13Å; F632-V646 HydrophobicContact CD1-CB 4.25Å; F632-V646 HydrophobicContact CD1-CG1 4.14Å; F632-V646 HydrophobicContact CE1-CB 4.11Å; F632-V646 HydrophobicContact CE1-CG1 4.49Å; F632-V696 HydrophobicContact CZ-CG1 4.36Å; F632-I698 HydrophobicContact CZ-CG1 4.28Å; F632-Y732 AromaticContact CD2-CD1 3.81Å; F632-Y732 HydrophobicContact CD2-CD1 3.81Å; F632-Y732 AromaticContact CD2-CE1 3.62Å; F632-Y732 HydrophobicContact CD2-CE1 3.62Å; F632-Y732 AromaticContact CE2-CD1 3.94Å; F632-Y732 HydrophobicContact CE2-CD1 3.94Å; F632-Y732 HydrophobicContact CE2-CE1 4.23Å; F632-Y732 HydrophobicContact CG-CE1 4.35Å; F632-V733 HydrophobicContact CD1-CG2 4.32Å; F632-V733 HydrophobicContact CD2-CG2 4.37Å; F632-V733 HydrophobicContact CE1-CG2 3.55Å; F632-V733 HydrophobicContact CE2-CG2 3.63Å; F632-V733 HydrophobicContact CZ-CG2 3.15Å; F632-F737 HydrophobicContact CD1-CE2 4.48Å
633	D	98.1	Very high	92.4	Very high	74 Å²	74	52.4 Å²	52.4	40%	0.396	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.8	177.2	64	-70.2	0	0	0	110.5	Q641 L642 Y643 Y732	D633-Q641 HydrophobicContact CB-CG 4.38Å; D633-Q641 PolarHBondContact OD2-NE2 3.12Å; D633-L642 CarbonylContact C-O 3.59Å; D633-L642 VanDerWaalsContact CA-O 3.22Å; D633-L642 WeakPolarHBondContact CA-O 3.39Å; D633-Y643 HydrophobicContact CB-CD1 3.77Å; D633-Y643 HydrophobicContact CB-CE1 3.9Å; D633-Y732 PolarHBondContact O-OH 3.47Å
634	F	97.8	Very high	93.9	Very high	7 Å²	7	51 Å²	51	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	148.5	176.6	65.2	-79.6	0	0	0	111.2	F632 G636 Q641 L642 I698 E728 Y732	F632-F634 HydrophobicContact CD2-CD1 4.18Å; F632-F634 AromaticContact CE2-CD1 3.82Å; F632-F634 HydrophobicContact CE2-CD1 3.82Å; F632-F634 HydrophobicContact CE2-CE1 4.04Å; F634-G636 PolarHBondContact O-N 3.29Å; F634-Q641 VanDerWaalsContact C-NE2 3.26Å; F634-Q641 VanDerWaalsContact N-NE2 3.17Å; F634-Q641 PolarHBondContact O-NE2 3.29Å; F634-L642 HydrophobicContact CD1-CB 4.29Å; F634-L642 HydrophobicContact CE1-CB 3.72Å; F634-L642 HydrophobicContact CE2-CB 4.08Å; F634-L642 HydrophobicContact CE2-CD1 3.86Å; F634-L642 HydrophobicContact CE2-CG 4.42Å; F634-L642 HydrophobicContact CZ-CB 3.6Å; F634-L642 HydrophobicContact CZ-CD1 3.68Å; F634-L642 HydrophobicContact CZ-CG 4.23Å; F634-L642 PolarHBondContact N-O 2.84Å; F634-L642 PolarHBondContact O-N 3.49Å; F634-I698 HydrophobicContact CE1-CG2 4.31Å; F634-I698 HydrophobicContact CZ-CG2 4.33Å; F634-E728 HydrophobicContact CE2-CB 4.11Å; F634-Y732 HydrophobicContact CB-CD1 4.02Å; F634-Y732 HydrophobicContact CB-CD2 3.58Å; F634-Y732 HydrophobicContact CB-CE1 4.13Å; F634-Y732 HydrophobicContact CB-CE2 3.67Å; F634-Y732 HydrophobicContact CB-CG 3.75Å; F634-Y732 HydrophobicContact CD1-CD1 4.31Å; F634-Y732 HydrophobicContact CD1-CG 4.47Å; F634-Y732 HydrophobicContact CG-CD1 4.34Å; F634-Y732 HydrophobicContact CG-CD2 4.36Å; F634-Y732 HydrophobicContact CG-CG 4.09Å
635	P	97.1	Very high	95.4	Very high	99 Å²	99	47.6 Å²	47.6	64%	0.643	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	115.4	172.3	29.8	-32.5	0	0	0	109.3
636	G	95.2	Very high	96.4	Very high	7 Å²	7	42.2 Å²	42.2	7%	0.072	24%	0.236	C	C	.	.			trans	-72.3	152.6	173.9	0	0	0	0	0	111.3	F634 S638 G639 F640	F634-G636 PolarHBondContact O-N 3.29Å; G636-S638 PolarHBondContact O-N 3.27Å; G636-S638 VanDerWaalsContact O-N 3.12Å; G636-G639 PolarHBondContact O-N 3.02Å; G636-F640 PolarHBondContact N-O 3.35Å
637	K	95	Very high	96.9	Very high	165 Å²	165	41.7 Å²	41.7	72%	0.717	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-17.2	176.7	-65.2	-169.6	-152.9	111.3	0	113.4	G639 E728	K637-G639 PolarHBondContact O-N 3.32Å; K637-E728 WeakPolarHBondContact CB-OE1 3.23Å; K637-E728 VanDerWaalsContact CD-OE1 3.26Å; K637-E728 WeakPolarHBondContact CD-OE1 3.42Å; K637-E728 WeakPolarHBondContact CE-OE1 3.44Å; K637-E728 VanDerWaalsContact CG-OE1 3.3Å; K637-E728 WeakPolarHBondContact CG-OE1 3.46Å; K637-E728 PolarHBondContact N-OE2 2.79Å; K637-E728 IonicContact NZ-OE1 3.76Å; K637-E728 PolarHBondContact NZ-OE1 3.03Å
638	S	93.4	Very high	97.2	Very high	40 Å²	40	42.2 Å²	42.2	28%	0.28	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-8.1	172.8	59.3	0	0	0	0	114.3	G636 R701	G636-S638 PolarHBondContact O-N 3.27Å; G636-S638 VanDerWaalsContact O-N 3.12Å; S638-R701 PolarHBondContact OG-NE 2.96Å
639	G	95.8	Very high	97.3	Very high	71 Å²	71	40 Å²	40	73%	0.732	22%	0.219	S	C	*	.	S	Bend	trans	93	-10.2	-178.1	0	0	0	0	0	114.2	G636 K637	G636-G639 PolarHBondContact O-N 3.02Å; K637-G639 PolarHBondContact O-N 3.32Å
640	F	97.1	Very high	97.2	Very high	52 Å²	52	41.3 Å²	41.3	23%	0.228	22%	0.224	C	C	.	.	S	Bend	trans	-88.6	143.3	175.6	-67.5	-75.1	0	0	0	112.3	G636 L642 R701 E709 F710	G636-F640 PolarHBondContact N-O 3.35Å; F640-L642 HydrophobicContact CB-CD2 4.38Å; F640-L642 PolarHBondContact O-N 2.9Å; F640-R701 HydrophobicContact CD2-CG 4.02Å; F640-E709 HydrophobicContact CZ-CG 4.23Å; F640-F710 HydrophobicContact CB-CD2 4.04Å; F640-F710 HydrophobicContact CB-CE2 3.89Å; F640-F710 AromaticContact CD1-CD2 3.64Å; F640-F710 HydrophobicContact CD1-CD2 3.64Å; F640-F710 HydrophobicContact CD1-CE2 4.36Å; F640-F710 HydrophobicContact CD2-CD2 4.13Å; F640-F710 HydrophobicContact CE1-CB 4.33Å; F640-F710 HydrophobicContact CE1-CD2 4.07Å; F640-F710 AromaticContact CG-CD2 3.67Å; F640-F710 HydrophobicContact CG-CD2 3.67Å; F640-F710 HydrophobicContact CG-CE2 4.02Å; F640-F710 HydrophobicContact CZ-CD2 4.47Å
641	Q	98.1	Very high	96.7	Very high	60 Å²	60	44.7 Å²	44.7	28%	0.28	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	124.9	162.4	-166	67	16.9	0	0	109.2	D633 F634 Y643 R706	D633-Q641 HydrophobicContact CB-CG 4.38Å; D633-Q641 PolarHBondContact OD2-NE2 3.12Å; F634-Q641 VanDerWaalsContact C-NE2 3.26Å; F634-Q641 VanDerWaalsContact N-NE2 3.17Å; F634-Q641 PolarHBondContact O-NE2 3.29Å; Q641-Y643 HydrophobicContact CG-CE2 4.49Å; Q641-R706 VanDerWaalsContact O-CZ 3.28Å; Q641-R706 PolarHBondContact O-NH1 3.49Å; Q641-R706 PolarHBondContact O-NH2 3.49Å
642	L	98.6	Very high	96.4	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.3	177.3	-61.2	-176.7	0	0	0	110.3	D633 F634 F640 F710 D725	D633-L642 CarbonylContact C-O 3.59Å; D633-L642 VanDerWaalsContact CA-O 3.22Å; D633-L642 WeakPolarHBondContact CA-O 3.39Å; F634-L642 HydrophobicContact CD1-CB 4.29Å; F634-L642 HydrophobicContact CE1-CB 3.72Å; F634-L642 HydrophobicContact CE2-CB 4.08Å; F634-L642 HydrophobicContact CE2-CD1 3.86Å; F634-L642 HydrophobicContact CE2-CG 4.42Å; F634-L642 HydrophobicContact CZ-CB 3.6Å; F634-L642 HydrophobicContact CZ-CD1 3.68Å; F634-L642 HydrophobicContact CZ-CG 4.23Å; F634-L642 PolarHBondContact N-O 2.84Å; F634-L642 PolarHBondContact O-N 3.49Å; F640-L642 HydrophobicContact CB-CD2 4.38Å; F640-L642 PolarHBondContact O-N 2.9Å; L642-F710 HydrophobicContact CD2-CE2 3.65Å; L642-F710 HydrophobicContact CD2-CZ 3.74Å; L642-D725 HydrophobicContact CD1-CB 3.85Å
643	Y	98.8	Very high	95.8	Very high	43 Å²	43	50.9 Å²	50.9	17%	0.169	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.1	-178.9	-65.1	-88.6	0	0	0	110.6	P543 L544 D633 Q641 D699	P543-Y643 HydrophobicContact CG-CE2 3.77Å; L544-Y643 HydrophobicContact CD1-CD1 3.95Å; L544-Y643 HydrophobicContact CD1-CE1 3.95Å; L544-Y643 HydrophobicContact CD2-CD1 3.87Å; L544-Y643 HydrophobicContact CD2-CE1 4.34Å; L544-Y643 HydrophobicContact CD2-CG 3.98Å; L544-Y643 HydrophobicContact CG-CD1 4.2Å; L544-Y643 HydrophobicContact CG-CE1 4.22Å; D633-Y643 HydrophobicContact CB-CD1 3.77Å; D633-Y643 HydrophobicContact CB-CE1 3.9Å; Q641-Y643 HydrophobicContact CG-CE2 4.49Å; Y643-D699 PolarHBondContact O-N 2.66Å
644	G	98.7	Very high	95.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	165.7	177	0	0	0	0	0	113.2	I631 F632 V697	I631-G644 CarbonylContact C-O 3.53Å; I631-G644 WeakPolarHBondContact CA-O 3.5Å; F632-G644 VanDerWaalsContact CE1-C 3.44Å; F632-G644 PolarHBondContact N-O 2.76Å; F632-G644 PolarHBondContact O-N 3.13Å; G644-V697 CarbonylContact C-O 3.53Å; G644-V697 WeakPolarHBondContact CA-O 3.5Å
645	M	98.6	Very high	94.7	Very high	3 Å²	3	56 Å²	56	2%	0.015	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140	168.3	-72.7	-177.3	-64.7	0	0	109.3	P629 E630 I631 L672 V673 K678 V696 V697	P629-M645 HydrophobicContact CB-CB 3.97Å; P629-M645 HydrophobicContact CB-CG 4.33Å; P629-M645 HydrophobicContact CB-SD 4.35Å; P629-M645 HydrophobicContact CG-CB 4.5Å; P629-M645 HydrophobicContact CG-CG 4.4Å; P629-M645 HydrophobicContact CG-SD 3.84Å; E630-M645 CarbonylContact O-C 3.59Å; E630-M645 WeakPolarHBondContact O-CA 3.46Å; I631-M645 HydrophobicContact CG1-CG 3.98Å; M645-L672 VanDerWaalsContact CE-O 3.29Å; M645-L672 WeakPolarHBondContact CE-O 3.23Å; M645-V673 HydrophobicContact CE-CG2 4.07Å; M645-V673 HydrophobicContact CG-CB 4.41Å; M645-V673 HydrophobicContact CG-CG1 3.92Å; M645-V673 HydrophobicContact CG-CG2 4.17Å; M645-K678 HydrophobicContact CE-CD 4.42Å; M645-K678 HydrophobicContact SD-CD 4.29Å; M645-K678 HydrophobicContact SD-CG 4Å; M645-V696 WeakPolarHBondContact O-CA 3.19Å; M645-V697 HydrophobicContact CB-CB 4.27Å; M645-V697 HydrophobicContact CE-CB 4.13Å; M645-V697 HydrophobicContact CE-CG1 4.14Å; M645-V697 HydrophobicContact CE-CG2 4.33Å; M645-V697 PolarHBondContact N-O 3.45Å; M645-V697 PolarHBondContact O-N 2.69Å
646	V	98.4	Very high	94.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	125.4	171.2	64.1	0	0	0	0	110.6	P629 E630 F632 V695 V696 V733 F737 F739	P629-V646 WeakPolarHBondContact CA-O 3.42Å; E630-V646 HydrophobicContact CB-CG1 4.01Å; E630-V646 PolarHBondContact N-O 2.86Å; E630-V646 PolarHBondContact O-N 2.86Å; F632-V646 HydrophobicContact CD1-CB 4.25Å; F632-V646 HydrophobicContact CD1-CG1 4.14Å; F632-V646 HydrophobicContact CE1-CB 4.11Å; F632-V646 HydrophobicContact CE1-CG1 4.49Å; V646-V695 CarbonylContact C-O 3.56Å; V646-V695 WeakPolarHBondContact CA-O 3.42Å; V646-V696 HydrophobicContact CG2-CG2 4.41Å; V646-V733 HydrophobicContact CG2-CG1 4.1Å; V646-F737 HydrophobicContact CG1-CD2 4.5Å; V646-F737 HydrophobicContact CG1-CE1 4.13Å; V646-F737 HydrophobicContact CG1-CE2 3.88Å; V646-F737 HydrophobicContact CG1-CZ 3.67Å; V646-F739 HydrophobicContact CG2-CE2 4.28Å; V646-F739 HydrophobicContact CG2-CZ 3.84Å
647	Y	98.1	Very high	94.5	Very high	3 Å²	3	56.6 Å²	56.6	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	114.3	164.5	-59.7	-104.4	0	0	0	107.6	P629 K678 L685 V695	P629-Y647 HydrophobicContact CB-CD1 4.02Å; P629-Y647 HydrophobicContact CB-CD2 3.91Å; P629-Y647 HydrophobicContact CB-CE1 3.82Å; P629-Y647 HydrophobicContact CB-CE2 3.68Å; P629-Y647 HydrophobicContact CB-CG 4.07Å; P629-Y647 HydrophobicContact CG-CE1 3.87Å; P629-Y647 HydrophobicContact CG-CE2 4.08Å; Y647-K678 WeakPolarHBondContact OH-CB 3.49Å; Y647-L685 HydrophobicContact CD2-CB 4.3Å; Y647-L685 HydrophobicContact CE1-CB 4.38Å; Y647-L685 HydrophobicContact CE2-CB 3.97Å; Y647-L685 HydrophobicContact CE2-CD1 4Å; Y647-V695 HydrophobicContact CD2-CB 4.01Å; Y647-V695 HydrophobicContact CD2-CG1 4.23Å; Y647-V695 HydrophobicContact CG-CB 4.32Å; Y647-V695 PolarHBondContact N-O 3.41Å; Y647-V695 PolarHBondContact O-N 3.09Å; Y647-V695 VanDerWaalsContact O-N 3.15Å
648	K	97	Very high	94.7	Very high	87 Å²	87	48.8 Å²	48.8	38%	0.378	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-73.3	138.6	176.4	-58.2	-177.4	-175.6	168.2	0	108.8	E630 H650 F739	E630-K648 WeakPolarHBondContact OE2-CE 2.91Å; E630-K648 IonicContact OE2-NZ 3.4Å; E630-K648 PolarHBondContact OE2-NZ 3.09Å; K648-H650 PolarHBondContact O-N 3.42Å; K648-F739 HydrophobicContact CB-CE1 4.32Å; K648-F739 HydrophobicContact CB-CZ 4.26Å; K648-F739 HydrophobicContact CD-CE1 4.17Å; K648-F739 HydrophobicContact CG-CE1 3.79Å; K648-F739 HydrophobicContact CG-CZ 3.81Å
649	P	96.3	Very high	94.9	Very high	4 Å²	4	46.9 Å²	46.9	3%	0.026	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-48.6	135.1	168.6	-26.4	32.7	0	0	0	111	L652 H658 A689 A694 F739	P649-L652 HydrophobicContact CB-CD1 4.1Å; P649-L652 HydrophobicContact CG-CD1 4.04Å; P649-H658 HydrophobicContact CG-CB 3.79Å; P649-A689 WeakPolarHBondContact CA-O 3.46Å; P649-A694 HydrophobicContact CG-CB 4.28Å; P649-F739 HydrophobicContact CG-CD2 4.34Å
650	H	94	Very high	95	Very high	32 Å²	32	43.5 Å²	43.5	15%	0.148	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	145.5	175.7	-67.5	-165.4	0	0	0	109.2	D625 N627 K648 L652 A689 S690	D625-H650 PolarHBondContact O-CE1 2.97Å; N627-H650 PolarHBondContact ND2-CD2 2.56Å; N627-H650 PolarHBondContact ND2-CE1 3.41Å; N627-H650 VanDerWaalsContact ND2-CE1 3.26Å; N627-H650 PolarHBondContact ND2-ND1 3.33Å; N627-H650 PolarHBondContact ND2-NE2 2.99Å; K648-H650 PolarHBondContact O-N 3.42Å; H650-L652 VanDerWaalsContact C-N 3.3Å; H650-L652 PolarHBondContact O-N 3.36Å; H650-A689 PolarHBondContact N-O 3.49Å; H650-S690 WeakPolarHBondContact ND1-CA 3.3Å; H650-S690 WeakPolarHBondContact ND1-CB 3.29Å
651	N	88.3	Confident	95.1	Very high	146 Å²	146	41 Å²	41	78%	0.781	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	43.3	-179.3	-54.9	-44.2	0	0	0	113.9	Q653	N651-Q653 PolarHBondContact O-N 3.16Å; N651-Q653 PolarHBondContact O-NE2 3.48Å
652	L	90.8	Very high	95.1	Very high	70 Å²	70	38.2 Å²	38.2	37%	0.366	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-50	122.5	-178.5	-170	74	0	0	0	112.3	P649 H650 F739	P649-L652 HydrophobicContact CB-CD1 4.1Å; P649-L652 HydrophobicContact CG-CD1 4.04Å; H650-L652 VanDerWaalsContact C-N 3.3Å; H650-L652 PolarHBondContact O-N 3.36Å; L652-F739 HydrophobicContact CD1-CB 3.69Å; L652-F739 HydrophobicContact CD1-CD1 4.13Å; L652-F739 HydrophobicContact CD1-CG 3.92Å; L652-F739 HydrophobicContact CD2-CB 4.37Å; L652-F739 HydrophobicContact CD2-CD1 3.78Å; L652-F739 HydrophobicContact CD2-CE1 4.49Å; L652-F739 HydrophobicContact CD2-CG 4.36Å
653	Q	86.8	Confident	95.2	Very high	106 Å²	106	38.7 Å²	38.7	50%	0.495	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-91.8	123.5	177.8	-63.6	-61.3	-37.2	0	0	110	N651 G655 R656	N651-Q653 PolarHBondContact O-N 3.16Å; N651-Q653 PolarHBondContact O-NE2 3.48Å; Q653-G655 PolarHBondContact O-N 2.9Å; Q653-R656 HydrophobicContact CB-CB 4.14Å; Q653-R656 HydrophobicContact CB-CG 3.72Å; Q653-R656 WeakPolarHBondContact O-CB 3.37Å; Q653-R656 PolarHBondContact O-N 2.94Å; Q653-R656 VanDerWaalsContact O-N 3.15Å
654	P	86.4	Confident	95.2	Very high	125 Å²	125	36.7 Å²	36.7	81%	0.812	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	135.9	177.9	-26.3	34.8	0	0	0	112.3	R656	P654-R656 VanDerWaalsContact C-N 3.25Å; P654-R656 PolarHBondContact O-N 2.81Å
655	G	86.6	Confident	95.1	Very high	62 Å²	62	39.3 Å²	39.3	64%	0.639	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	-4.6	179.9	0	0	0	0	0	115.4	Q653	Q653-G655 PolarHBondContact O-N 2.9Å
656	R	92.8	Very high	94.9	Very high	67 Å²	67	39.3 Å²	39.3	25%	0.253	21%	0.212	S	C	.	.			trans	-90.8	139.9	175.3	-65.4	-70.3	-172.2	147.3	1.8	112.3	P44 S45 Q46 F47 Q653 P654	P44-R656 WeakPolarHBondContact O-CD 3.36Å; P44-R656 PolarHBondContact O-NE 3.2Å; P44-R656 PolarHBondContact O-NH1 3.27Å; S45-R656 CarbonylContact O-C 3.59Å; S45-R656 VanDerWaalsContact O-CA 3.28Å; S45-R656 WeakPolarHBondContact O-CA 3.29Å; Q46-R656 PolarHBondContact O-NH1 3.42Å; F47-R656 HydrophobicContact CB-CB 4.32Å; Q653-R656 HydrophobicContact CB-CB 4.14Å; Q653-R656 HydrophobicContact CB-CG 3.72Å; Q653-R656 WeakPolarHBondContact O-CB 3.37Å; Q653-R656 PolarHBondContact O-N 2.94Å; Q653-R656 VanDerWaalsContact O-N 3.15Å; P654-R656 VanDerWaalsContact C-N 3.25Å; P654-R656 PolarHBondContact O-N 2.81Å
657	K	95.5	Very high	94.7	Very high	52 Å²	52	39.3 Å²	39.3	23%	0.226	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-106.7	125.2	176.7	-59.1	-65.5	-168.1	167.4	0	110.2	S45 F47 N738 F739 D741 R744	S45-K657 PolarHBondContact O-N 3.29Å; F47-K657 WeakPolarHBondContact CB-O 3.5Å; F47-K657 PolarHBondContact N-O 2.89Å; K657-N738 WeakPolarHBondContact CD-O 3.49Å; K657-N738 VanDerWaalsContact CE-O 3.27Å; K657-N738 WeakPolarHBondContact CE-O 3.48Å; K657-N738 VanDerWaalsContact NZ-C 3.27Å; K657-N738 PolarHBondContact NZ-O 2.89Å; K657-N738 PolarHBondContact NZ-OD1 2.86Å; K657-F739 CarbonylContact C-O 3.59Å; K657-F739 WeakPolarHBondContact CA-O 3.46Å; K657-D741 HydrophobicContact CB-CB 3.92Å; K657-R744 PolarHBondContact O-NH2 3.01Å
658	H	97.7	Very high	94.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	143.8	-172.3	-72.7	-103.7	0	0	0	111.9	F47 P649 T660 G692 F739 D741	F47-H658 AromaticContact CD1-CE1 3.47Å; F47-H658 VanDerWaalsContact CD1-CE1 3.47Å; F47-H658 WeakPolarHBondContact CD1-CE1 3.32Å; F47-H658 AromaticContact CD1-ND1 3.2Å; F47-H658 WeakPolarHBondContact CD1-ND1 3.42Å; F47-H658 AromaticContact CD2-CE1 3.39Å; F47-H658 WeakPolarHBondContact CD2-CE1 3.32Å; F47-H658 AromaticContact CD2-NE2 3.97Å; F47-H658 AromaticContact CE1-CE1 3.85Å; F47-H658 AromaticContact CE1-ND1 3.74Å; F47-H658 AromaticContact CE2-CE1 3.79Å; F47-H658 AromaticContact CG-CE1 3.21Å; F47-H658 WeakPolarHBondContact CG-CE1 3.28Å; F47-H658 AromaticContact CG-ND1 3.36Å; F47-H658 WeakPolarHBondContact CG-ND1 3.37Å; F47-H658 AromaticContact CG-NE2 3.86Å; P649-H658 HydrophobicContact CG-CB 3.79Å; H658-T660 PolarHBondContact O-OG1 2.77Å; H658-G692 PolarHBondContact ND1-O 3.04Å; H658-F739 PolarHBondContact N-O 3.25Å; H658-D741 WeakPolarHBondContact O-CB 3.24Å; H658-D741 PolarHBondContact O-N 3.43Å
659	P	98.1	Very high	94.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	143.2	171	28.1	-33.6	0	0	0	109.8	V49 Y693 A694 R744 L884	V49-P659 HydrophobicContact CG1-CG 3.99Å; P659-Y693 HydrophobicContact CB-CD1 4Å; P659-Y693 HydrophobicContact CB-CE1 4.09Å; P659-Y693 HydrophobicContact CG-CD1 3.68Å; P659-Y693 HydrophobicContact CG-CE1 3.78Å; P659-Y693 WeakPolarHBondContact O-CA 3.37Å; P659-A694 PolarHBondContact O-N 2.85Å; P659-R744 WeakPolarHBondContact CA-O 3.31Å; P659-R744 HydrophobicContact CB-CB 4.11Å; P659-L884 HydrophobicContact CB-CD2 4Å; P659-L884 HydrophobicContact CB-CG 4.05Å
660	T	98.6	Very high	94.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.2	-168.5	-55.2	0	0	0	0	111.7	H658 A694 V696 L730 V740 R744 V745 A746	H658-T660 PolarHBondContact O-OG1 2.77Å; T660-A694 CarbonylContact C-O 3.45Å; T660-A694 VanDerWaalsContact CA-O 3.26Å; T660-A694 WeakPolarHBondContact CA-O 3.37Å; T660-A694 HydrophobicContact CG2-CB 4.18Å; T660-V696 HydrophobicContact CG2-CG2 4.04Å; T660-L730 HydrophobicContact CG2-CD1 3.88Å; T660-V740 HydrophobicContact CG2-CG1 4.32Å; T660-V740 WeakPolarHBondContact OG1-CG1 3.5Å; T660-R744 PolarHBondContact N-O 3.22Å; T660-V745 CarbonylContact O-C 3.52Å; T660-V745 VanDerWaalsContact O-CA 3.3Å; T660-V745 WeakPolarHBondContact O-CA 3.32Å; T660-A746 PolarHBondContact O-N 2.89Å
661	V	98.9	Very high	95	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	112.1	172.2	-176.5	0	0	0	0	108.4	F663 L688 Y693 A694 V695 V696 A746 L880 L884	V661-F663 PolarHBondContact O-N 2.78Å; V661-L688 HydrophobicContact CB-CD1 4.49Å; V661-L688 HydrophobicContact CG1-CD1 4.25Å; V661-L688 HydrophobicContact CG2-CD1 4.49Å; V661-Y693 HydrophobicContact CG2-CD1 3.94Å; V661-Y693 HydrophobicContact CG2-CG 4.25Å; V661-A694 PolarHBondContact N-O 3.24Å; V661-V695 VanDerWaalsContact O-CA 3.32Å; V661-V695 WeakPolarHBondContact O-CA 3.33Å; V661-V696 PolarHBondContact O-N 2.91Å; V661-A746 CarbonylContact C-O 3.48Å; V661-A746 WeakPolarHBondContact CA-O 3.25Å; V661-L880 HydrophobicContact CG2-CD1 4.02Å; V661-L880 HydrophobicContact CG2-CD2 4.07Å; V661-L884 HydrophobicContact CG2-CD2 4.45Å
662	L	98.9	Very high	95.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	108.6	168.2	-179.4	70.4	0	0	0	108.5	V696 I698 Q726 A746 I747 H748 F768	L662-V696 WeakPolarHBondContact CA-O 3.35Å; L662-V696 HydrophobicContact CD1-CB 4.04Å; L662-V696 HydrophobicContact CD1-CG1 3.97Å; L662-I698 HydrophobicContact CD1-CD1 4.11Å; L662-Q726 HydrophobicContact CD2-CB 3.89Å; L662-Q726 HydrophobicContact CD2-CG 4.29Å; L662-A746 PolarHBondContact N-O 3.41Å; L662-I747 HydrophobicContact CD2-CD1 3.99Å; L662-I747 HydrophobicContact CD2-CG1 4.13Å; L662-I747 WeakPolarHBondContact O-CA 3.46Å; L662-H748 PolarHBondContact O-N 2.96Å; L662-F768 HydrophobicContact CB-CE1 4.46Å; L662-F768 HydrophobicContact CD2-CE1 3.63Å; L662-F768 HydrophobicContact CD2-CZ 3.87Å
663	F	98.9	Very high	95.9	Very high	11 Å²	11	28.5 Å²	28.5	5%	0.048	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.8	172.5	179	-95.8	0	0	0	109.7	V661 L672 Y682 L685 V696 V697 H748	V661-F663 PolarHBondContact O-N 2.78Å; F663-L672 HydrophobicContact CD1-CD1 4.36Å; F663-L672 HydrophobicContact CE1-CD1 4.14Å; F663-Y682 HydrophobicContact CE1-CD1 4Å; F663-Y682 AromaticContact CE1-CE1 3.65Å; F663-Y682 HydrophobicContact CE1-CE1 3.65Å; F663-Y682 HydrophobicContact CZ-CD1 4.33Å; F663-Y682 AromaticContact CZ-CE1 4Å; F663-Y682 HydrophobicContact CZ-CE1 4Å; F663-L685 HydrophobicContact CB-CD1 4.28Å; F663-L685 HydrophobicContact CB-CD2 3.99Å; F663-L685 HydrophobicContact CD1-CD1 4Å; F663-L685 HydrophobicContact CD2-CD2 4.04Å; F663-L685 HydrophobicContact CG-CD1 4.13Å; F663-L685 HydrophobicContact CG-CD2 3.92Å; F663-V696 PolarHBondContact N-O 3.35Å; F663-V697 HydrophobicContact CB-CG2 4.2Å; F663-V697 HydrophobicContact CD1-CG2 4.2Å; F663-H748 CarbonylContact C-O 3.52Å; F663-H748 VanDerWaalsContact CA-O 3.29Å; F663-H748 WeakPolarHBondContact CA-O 3.4Å; F663-H748 AromaticContact CD2-CD2 3.97Å; F663-H748 WeakPolarHBondContact CD2-O 3.38Å
664	V	98.6	Very high	96.4	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	14%	0.14	C	C	.	.			trans	-126.5	142.8	-170.7	70.6	0	0	0	0	112	Q726 I747 H748 G749 G753 L756	V664-Q726 HydrophobicContact CG2-CG 4.24Å; V664-I747 HydrophobicContact CG1-CD1 4.04Å; V664-I747 HydrophobicContact CG1-CG1 3.83Å; V664-H748 PolarHBondContact N-O 3.01Å; V664-G749 VanDerWaalsContact O-CA 3.27Å; V664-G749 WeakPolarHBondContact O-CA 3.29Å; V664-G753 WeakPolarHBondContact CG1-O 3.42Å; V664-G753 WeakPolarHBondContact O-CA 3.22Å; V664-L756 HydrophobicContact CG1-CB 4.2Å; V664-L756 HydrophobicContact CG2-CB 4.36Å; V664-L756 HydrophobicContact CG2-CD1 3.85Å
665	Y	98.5	Very high	97	Very high	54 Å²	54	19.4 Å²	19.4	21%	0.212	11%	0.107	C	C	.	.			trans	-117.4	-64.3	155.5	-177.7	-96.1	0	0	0	109	G667 V670 Y752 G753 L756	Y665-G667 PolarHBondContact O-N 2.86Å; Y665-G667 VanDerWaalsContact O-N 3.14Å; Y665-V670 HydrophobicContact CD1-CB 3.47Å; Y665-V670 VanDerWaalsContact CD1-CB 3.47Å; Y665-V670 HydrophobicContact CD1-CG1 3.63Å; Y665-V670 HydrophobicContact CD1-CG2 3.84Å; Y665-V670 HydrophobicContact CE1-CB 3.39Å; Y665-V670 HydrophobicContact CE1-CG1 4Å; Y665-V670 HydrophobicContact CE1-CG2 3.27Å; Y665-V670 HydrophobicContact CG-CB 4.42Å; Y665-V670 HydrophobicContact CG-CG1 4.15Å; Y665-Y752 WeakPolarHBondContact O-CD1 3.36Å; Y665-G753 WeakPolarHBondContact O-CA 3.23Å; Y665-G753 PolarHBondContact O-N 2.77Å; Y665-L756 WeakPolarHBondContact O-CD1 3.42Å
666	G	93.5	Very high	97.5	Very high	3 Å²	3	17.7 Å²	17.7	3%	0.031	9%	0.085	C	C	.	.			trans	65.4	12	167.8	0	0	0	0	0	116.3
667	G	95.3	Very high	97.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.			trans	-99.5	171.7	174.2	0	0	0	0	0	113.3	Y665	Y665-G667 PolarHBondContact O-N 2.86Å; Y665-G667 VanDerWaalsContact O-N 3.14Å
668	P	97.5	Very high	97.5	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	164.8	179.1	29.5	-36.6	0	0	0	112.8	V670 G702 E711 M718 Y787 Y791	P668-V670 PolarHBondContact O-N 3.47Å; P668-G702 VanDerWaalsContact CA-O 3.25Å; P668-G702 WeakPolarHBondContact CA-O 3.21Å; P668-E711 HydrophobicContact CB-CG 4.43Å; P668-M718 HydrophobicContact CG-CE 3.69Å; P668-Y787 WeakPolarHBondContact CD-OH 3.37Å; P668-Y787 HydrophobicContact CG-CE2 4.29Å; P668-Y787 VanDerWaalsContact CG-OH 3.31Å; P668-Y787 WeakPolarHBondContact CG-OH 3.48Å; P668-Y791 HydrophobicContact CB-CD1 4.35Å; P668-Y791 HydrophobicContact CB-CE1 3.67Å; P668-Y791 HydrophobicContact CB-CE2 4.24Å; P668-Y791 HydrophobicContact CG-CD1 4.23Å; P668-Y791 HydrophobicContact CG-CD2 4.02Å; P668-Y791 HydrophobicContact CG-CE1 3.85Å; P668-Y791 HydrophobicContact CG-CE2 3.61Å; P668-Y791 HydrophobicContact CG-CG 4.33Å
669	Q	97.1	Very high	97	Very high	39 Å²	39	13.4 Å²	13.4	18%	0.182	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	-4.7	178.2	-40.8	-175.4	-9.3	0	0	116.6	R520 C704 E711 Y791	R520-Q669 VanDerWaalsContact NH2-NE2 3.16Å; R520-Q669 VanDerWaalsContact NH2-OE1 3.12Å; Q669-C704 PolarHBondContact O-SG 3.39Å; Q669-E711 PolarHBondContact N-OE1 3.27Å; Q669-Y791 WeakPolarHBondContact CG-OH 3.06Å; Q669-Y791 PolarHBondContact NE2-OH 2.98Å
670	V	97.8	Very high	96.4	Very high	43 Å²	43	16.4 Å²	16.4	26%	0.261	8%	0.084	S	C	.	.			trans	-121.2	139.1	-177	177	0	0	0	0	111.5	Y665 P668 L672 S703 C704	Y665-V670 HydrophobicContact CD1-CB 3.47Å; Y665-V670 VanDerWaalsContact CD1-CB 3.47Å; Y665-V670 HydrophobicContact CD1-CG1 3.63Å; Y665-V670 HydrophobicContact CD1-CG2 3.84Å; Y665-V670 HydrophobicContact CE1-CB 3.39Å; Y665-V670 HydrophobicContact CE1-CG1 4Å; Y665-V670 HydrophobicContact CE1-CG2 3.27Å; Y665-V670 HydrophobicContact CG-CB 4.42Å; Y665-V670 HydrophobicContact CG-CG1 4.15Å; P668-V670 PolarHBondContact O-N 3.47Å; V670-L672 HydrophobicContact CG1-CD2 3.97Å; V670-L672 HydrophobicContact CG1-CG 4.32Å; V670-S703 WeakPolarHBondContact O-CA 3.47Å; V670-S703 WeakPolarHBondContact O-CB 3.31Å; V670-C704 PolarHBondContact N-SG 3.44Å; V670-C704 PolarHBondContact O-N 3.08Å
671	Q	98.4	Very high	95.8	Very high	25 Å²	25	23.6 Å²	23.6	12%	0.117	12%	0.116	C	C	.	.			trans	-125.7	120.7	167.5	-174.8	-162.6	49.4	0	0	108.4	P543 N674 D699 Q705	P543-Q671 PolarHBondContact O-NE2 3.48Å; Q671-N674 PolarHBondContact O-ND2 3.01Å; Q671-N674 PolarHBondContact OE1-ND2 3.49Å; Q671-N674 VanDerWaalsContact OE1-ND2 3.07Å; Q671-D699 WeakPolarHBondContact CG-OD2 3.5Å; Q671-Q705 HydrophobicContact CB-CG 4.21Å
672	L	98.4	Very high	95.4	Very high	7 Å²	7	25 Å²	25	4%	0.037	12%	0.121	C	C	.	.			trans	-89.8	-37.4	179.3	-64.1	-178.9	0	0	0	112	M645 F663 V670 N674 K678 Y682 V697 D699	M645-L672 VanDerWaalsContact CE-O 3.29Å; M645-L672 WeakPolarHBondContact CE-O 3.23Å; F663-L672 HydrophobicContact CD1-CD1 4.36Å; F663-L672 HydrophobicContact CE1-CD1 4.14Å; V670-L672 HydrophobicContact CG1-CD2 3.97Å; V670-L672 HydrophobicContact CG1-CG 4.32Å; L672-N674 PolarHBondContact O-N 3.21Å; L672-K678 PolarHBondContact O-NZ 3.13Å; L672-Y682 HydrophobicContact CD2-CE1 4.47Å; L672-Y682 WeakPolarHBondContact CD2-OH 3.46Å; L672-V697 HydrophobicContact CB-CG1 3.77Å; L672-V697 HydrophobicContact CD1-CG1 3.65Å; L672-V697 HydrophobicContact CG-CG1 4.39Å; L672-D699 PolarHBondContact N-OD1 3.23Å; L672-D699 PolarHBondContact N-OD2 3.09Å
673	V	98.7	Very high	94.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.128	C	C	.	.			trans	-91.6	99.1	-174.8	-177.8	0	0	0	0	109.2	L544 I631 M645 V697 D699	L544-V673 HydrophobicContact CD2-CG1 4.22Å; L544-V673 VanDerWaalsContact CD2-O 3.32Å; L544-V673 WeakPolarHBondContact CD2-O 3.3Å; I631-V673 HydrophobicContact CG2-CG1 4.21Å; M645-V673 HydrophobicContact CE-CG2 4.07Å; M645-V673 HydrophobicContact CG-CB 4.41Å; M645-V673 HydrophobicContact CG-CG1 3.92Å; M645-V673 HydrophobicContact CG-CG2 4.17Å; V673-V697 HydrophobicContact CG2-CG1 4.1Å; V673-D699 WeakPolarHBondContact CA-OD2 3.38Å; V673-D699 HydrophobicContact CB-CB 4.38Å; V673-D699 VanDerWaalsContact CB-OD2 3.3Å; V673-D699 WeakPolarHBondContact CB-OD2 3.4Å; V673-D699 HydrophobicContact CG2-CB 4.28Å; V673-D699 PolarHBondContact N-OD2 3.24Å
674	N	98.6	Very high	94.6	Very high	18 Å²	18	28.2 Å²	28.2	10%	0.096	14%	0.135	C	C	.	.	S	Bend	trans	-154.7	162.8	172.4	51.5	57	0	0	0	109.2	L544 Q671 L672 S676 K678	L544-N674 WeakPolarHBondContact O-CB 3.39Å; Q671-N674 PolarHBondContact O-ND2 3.01Å; Q671-N674 PolarHBondContact OE1-ND2 3.49Å; Q671-N674 VanDerWaalsContact OE1-ND2 3.07Å; L672-N674 PolarHBondContact O-N 3.21Å; N674-S676 PolarHBondContact O-N 2.87Å; N674-S676 PolarHBondContact OD1-OG 2.82Å; N674-K678 WeakPolarHBondContact O-CE 3.2Å; N674-K678 PolarHBondContact O-NZ 2.93Å; N674-K678 PolarHBondContact OD1-NZ 2.93Å
675	N	98.4	Very high	94.4	Very high	22 Å²	22	28.3 Å²	28.3	12%	0.118	14%	0.135	C	C	.	.	S	Bend	trans	-81.5	64.1	-175.7	-167.5	22.7	0	0	0	111.7	L544 E545 G566 S568 N586 V587 I631	L544-N675 HydrophobicContact CB-CB 4.46Å; L544-N675 PolarHBondContact O-N 3.42Å; E545-N675 HydrophobicContact CG-CB 3.88Å; E545-N675 PolarHBondContact OE1-ND2 3.27Å; G566-N675 PolarHBondContact O-ND2 3.18Å; S568-N675 VanDerWaalsContact CB-O 3.3Å; S568-N675 WeakPolarHBondContact CB-O 3.31Å; S568-N675 PolarHBondContact N-O 3.39Å; N586-N675 WeakPolarHBondContact CA-O 3.38Å; N586-N675 WeakPolarHBondContact CB-OD1 3.18Å; V587-N675 PolarHBondContact N-OD1 3.45Å; I631-N675 HydrophobicContact CD1-CB 4.24Å
676	S	96.6	Very high	94.2	Very high	27 Å²	27	26.2 Å²	26.2	19%	0.189	13%	0.128	C	C	.	.	S	Bend	trans	-131.6	158.8	173.9	65.7	0	0	0	0	110.6	N586 N674 K678	N586-S676 CarbonylContact O-C 3.52Å; N674-S676 PolarHBondContact O-N 2.87Å; N674-S676 PolarHBondContact OD1-OG 2.82Å; S676-K678 WeakPolarHBondContact O-CD 3.32Å; S676-K678 WeakPolarHBondContact O-CE 3.38Å; S676-K678 PolarHBondContact O-N 3.14Å; S676-K678 PolarHBondContact OG-NZ 3.47Å; S676-K678 VanDerWaalsContact OG-NZ 3.13Å
677	F	94.8	Very high	94.3	Very high	17 Å²	17	26.4 Å²	26.4	8%	0.075	13%	0.128	C	C	.	.			trans	-68.9	120.3	-173.7	-172.5	-107.1	0	0	0	112.3	S585 N586 P590 P591 Y626 M680	S585-F677 PolarHBondContact OG-N 2.94Å; N586-F677 WeakPolarHBondContact O-CA 3.45Å; N586-F677 WeakPolarHBondContact O-CB 3.45Å; N586-F677 PolarHBondContact O-N 3.35Å; P590-F677 HydrophobicContact CB-CE1 4.44Å; P590-F677 HydrophobicContact CB-CE2 4.49Å; P590-F677 HydrophobicContact CB-CZ 4.43Å; P590-F677 HydrophobicContact CG-CD2 4.32Å; P590-F677 HydrophobicContact CG-CE1 4.39Å; P590-F677 HydrophobicContact CG-CE2 3.85Å; P590-F677 HydrophobicContact CG-CZ 3.9Å; P591-F677 HydrophobicContact CG-CB 4.43Å; Y626-F677 AromaticContact CD1-CE2 3.92Å; Y626-F677 HydrophobicContact CD1-CE2 3.92Å; Y626-F677 HydrophobicContact CD1-CZ 4.1Å; Y626-F677 HydrophobicContact CE1-CD2 4.28Å; Y626-F677 AromaticContact CE1-CE2 3.41Å; Y626-F677 HydrophobicContact CE1-CE2 3.41Å; Y626-F677 VanDerWaalsContact CE1-CE2 3.41Å; Y626-F677 AromaticContact CE1-CZ 3.83Å; Y626-F677 HydrophobicContact CE1-CZ 3.83Å; F677-M680 HydrophobicContact CD1-CG 3.96Å; F677-M680 HydrophobicContact CE1-CG 4.06Å
678	K	93.7	Very high	94.4	Very high	8 Å²	8	26.6 Å²	26.6	4%	0.035	13%	0.129	C	C	.	.			trans	-93	-18	-175.3	-51.8	-56.3	176.6	178.3	0	113.7	P629 M645 Y647 L672 N674 S676 M680 Y682	P629-K678 HydrophobicContact CG-CG 4.25Å; M645-K678 HydrophobicContact CE-CD 4.42Å; M645-K678 HydrophobicContact SD-CD 4.29Å; M645-K678 HydrophobicContact SD-CG 4Å; Y647-K678 WeakPolarHBondContact OH-CB 3.49Å; L672-K678 PolarHBondContact O-NZ 3.13Å; N674-K678 WeakPolarHBondContact O-CE 3.2Å; N674-K678 PolarHBondContact O-NZ 2.93Å; N674-K678 PolarHBondContact OD1-NZ 2.93Å; S676-K678 WeakPolarHBondContact O-CD 3.32Å; S676-K678 WeakPolarHBondContact O-CE 3.38Å; S676-K678 PolarHBondContact O-N 3.14Å; S676-K678 PolarHBondContact OG-NZ 3.47Å; S676-K678 VanDerWaalsContact OG-NZ 3.13Å; K678-M680 PolarHBondContact O-N 2.95Å; K678-Y682 HydrophobicContact CB-CD2 4.32Å; K678-Y682 HydrophobicContact CD-CD2 4.31Å; K678-Y682 WeakPolarHBondContact O-CA 3.31Å; K678-Y682 WeakPolarHBondContact O-CB 3.41Å; K678-Y682 PolarHBondContact O-N 2.88Å
679	G	88.4	Confident	94.3	Very high	4 Å²	4	26.6 Å²	26.6	4%	0.041	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	1	-173.8	0	0	0	0	0	116.1	Y626 L683	Y626-G679 PolarHBondContact OH-N 3.03Å; Y626-G679 VanDerWaalsContact OH-N 3.1Å; G679-L683 WeakPolarHBondContact O-CB 3.24Å
680	M	84.1	Confident	94.2	Very high	64 Å²	64	27.3 Å²	27.3	32%	0.315	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-74.2	170.5	-67.5	-54.4	-73.8	0	0	111.5	I71 A72 F677 K678 Y682	I71-M680 HydrophobicContact CB-CE 4.05Å; I71-M680 HydrophobicContact CB-SD 3.53Å; I71-M680 VanDerWaalsContact CB-SD 3.53Å; I71-M680 HydrophobicContact CG2-CE 3.92Å; I71-M680 HydrophobicContact CG2-CG 4.26Å; I71-M680 HydrophobicContact CG2-SD 3.11Å; I71-M680 WeakPolarHBondContact CG2-SD 3.22Å; I71-M680 VanDerWaalsContact O-CE 3.26Å; I71-M680 WeakPolarHBondContact O-CE 3.21Å; A72-M680 HydrophobicContact CB-CE 4Å; F677-M680 HydrophobicContact CD1-CG 3.96Å; F677-M680 HydrophobicContact CE1-CG 4.06Å; K678-M680 PolarHBondContact O-N 2.95Å; M680-Y682 VanDerWaalsContact C-N 3.33Å; M680-Y682 PolarHBondContact O-N 3.03Å
681	K	85.8	Confident	94.2	Very high	151 Å²	151	26.8 Å²	26.8	66%	0.657	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-30	-175.9	-173.5	175.1	179.4	-177.1	0	112.9
682	Y	90.9	Very high	94.1	Very high	30 Å²	30	25.8 Å²	25.8	12%	0.118	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	24.7	-172.8	-56.2	-74.6	0	0	0	112.8	F663 L672 K678 M680 R684 L685	F663-Y682 HydrophobicContact CE1-CD1 4Å; F663-Y682 AromaticContact CE1-CE1 3.65Å; F663-Y682 HydrophobicContact CE1-CE1 3.65Å; F663-Y682 HydrophobicContact CZ-CD1 4.33Å; F663-Y682 AromaticContact CZ-CE1 4Å; F663-Y682 HydrophobicContact CZ-CE1 4Å; L672-Y682 HydrophobicContact CD2-CE1 4.47Å; L672-Y682 WeakPolarHBondContact CD2-OH 3.46Å; K678-Y682 HydrophobicContact CB-CD2 4.32Å; K678-Y682 HydrophobicContact CD-CD2 4.31Å; K678-Y682 WeakPolarHBondContact O-CA 3.31Å; K678-Y682 WeakPolarHBondContact O-CB 3.41Å; K678-Y682 PolarHBondContact O-N 2.88Å; M680-Y682 VanDerWaalsContact C-N 3.33Å; M680-Y682 PolarHBondContact O-N 3.03Å; Y682-R684 PolarHBondContact O-N 2.91Å; Y682-R684 VanDerWaalsContact O-N 3.1Å; Y682-L685 HydrophobicContact CD1-CD1 4.17Å; Y682-L685 HydrophobicContact CG-CD1 4.32Å; Y682-L685 WeakPolarHBondContact O-CB 3.22Å; Y682-L685 PolarHBondContact O-N 2.88Å
683	L	89.6	Confident	94.1	Very high	29 Å²	29	25.6 Å²	25.6	15%	0.152	13%	0.129	C	C	.	.	H	α-helix	trans	-53.7	-34	177.9	-175.4	62.9	0	0	0	112.8	S68 Y626 G679 L685 N686 T687	S68-L683 WeakPolarHBondContact OG-CD2 3.16Å; Y626-L683 HydrophobicContact CD2-CD1 4.13Å; G679-L683 WeakPolarHBondContact O-CB 3.24Å; L683-L685 PolarHBondContact O-N 3.47Å; L683-N686 HydrophobicContact CD1-CB 4.44Å; L683-N686 WeakPolarHBondContact O-CB 3.27Å; L683-N686 PolarHBondContact O-N 2.97Å; L683-T687 PolarHBondContact O-N 3Å; L683-T687 PolarHBondContact O-OG1 3.2Å
684	R	91.5	Very high	94	Very high	50 Å²	50	25.6 Å²	25.6	19%	0.189	13%	0.129	C	C	.	.	H	α-helix	trans	-56.1	-31.4	174.8	65.6	176.9	-179.4	-103.2	0.6	113.6	Y682 T687 L688	Y682-R684 PolarHBondContact O-N 2.91Å; Y682-R684 VanDerWaalsContact O-N 3.1Å; R684-T687 WeakPolarHBondContact O-CB 3.37Å; R684-T687 PolarHBondContact O-N 2.97Å; R684-L688 PolarHBondContact O-N 2.94Å
685	L	95.8	Very high	94.1	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-70.5	-37.9	177.5	-55.1	-171.3	0	0	0	111.2	Y647 F663 Y682 L683 T687 L688 A689 V695 V697	Y647-L685 HydrophobicContact CD2-CB 4.3Å; Y647-L685 HydrophobicContact CE1-CB 4.38Å; Y647-L685 HydrophobicContact CE2-CB 3.97Å; Y647-L685 HydrophobicContact CE2-CD1 4Å; F663-L685 HydrophobicContact CB-CD1 4.28Å; F663-L685 HydrophobicContact CB-CD2 3.99Å; F663-L685 HydrophobicContact CD1-CD1 4Å; F663-L685 HydrophobicContact CD2-CD2 4.04Å; F663-L685 HydrophobicContact CG-CD1 4.13Å; F663-L685 HydrophobicContact CG-CD2 3.92Å; Y682-L685 HydrophobicContact CD1-CD1 4.17Å; Y682-L685 HydrophobicContact CG-CD1 4.32Å; Y682-L685 WeakPolarHBondContact O-CB 3.22Å; Y682-L685 PolarHBondContact O-N 2.88Å; L683-L685 PolarHBondContact O-N 3.47Å; L685-T687 VanDerWaalsContact C-N 3.31Å; L685-L688 HydrophobicContact CD2-CD1 4.29Å; L685-L688 WeakPolarHBondContact O-CB 3.5Å; L685-L688 PolarHBondContact O-N 3.45Å; L685-A689 PolarHBondContact O-N 3.4Å; L685-V695 HydrophobicContact CB-CG1 4.17Å; L685-V695 HydrophobicContact CD1-CG1 4.4Å; L685-V695 HydrophobicContact CD2-CG1 4.08Å; L685-V695 HydrophobicContact CG-CG1 4.43Å; L685-V697 HydrophobicContact CD1-CG2 4.12Å
686	N	94	Very high	94.1	Very high	9 Å²	9	23.7 Å²	23.7	5%	0.048	12%	0.119	C	C	.	.	H	α-helix	trans	-65.6	-36.3	170	-176.7	84.9	0	0	0	111.4	D625 Y626 N627 L683 A689 S690	D625-N686 PolarHBondContact O-ND2 2.71Å; Y626-N686 HydrophobicContact CD2-CB 3.93Å; Y626-N686 HydrophobicContact CE2-CB 3.94Å; N627-N686 PolarHBondContact N-OD1 2.68Å; N627-N686 PolarHBondContact O-OD1 3.11Å; N627-N686 VanDerWaalsContact O-OD1 3.04Å; L683-N686 HydrophobicContact CD1-CB 4.44Å; L683-N686 WeakPolarHBondContact O-CB 3.27Å; L683-N686 PolarHBondContact O-N 2.97Å; N686-A689 WeakPolarHBondContact O-CB 3.33Å; N686-A689 PolarHBondContact O-N 3.15Å; N686-S690 PolarHBondContact O-N 2.92Å
687	T	94.3	Very high	94.2	Very high	7 Å²	7	22.5 Å²	22.5	4%	0.043	11%	0.111	C	C	.	.	H	α-helix	trans	-63.3	-44.1	175.8	-53.3	0	0	0	0	111	I60 I61 L683 R684 L685 A689 S690 L691	I60-T687 HydrophobicContact CG2-CG2 4.11Å; I61-T687 HydrophobicContact CD1-CG2 4.27Å; L683-T687 PolarHBondContact O-N 3Å; L683-T687 PolarHBondContact O-OG1 3.2Å; R684-T687 WeakPolarHBondContact O-CB 3.37Å; R684-T687 PolarHBondContact O-N 2.97Å; L685-T687 VanDerWaalsContact C-N 3.31Å; T687-A689 VanDerWaalsContact C-N 3.33Å; T687-A689 PolarHBondContact O-N 3.36Å; T687-S690 WeakPolarHBondContact O-CB 3.45Å; T687-S690 PolarHBondContact O-N 2.82Å; T687-S690 VanDerWaalsContact O-N 3.16Å; T687-S690 PolarHBondContact O-OG 3.09Å; T687-L691 PolarHBondContact O-N 3.28Å
688	L	97.1	Very high	94.4	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-57	-45.7	171.6	-75.3	168.6	0	0	0	111.9	V661 R684 L685 S690 L691 G692 Y693 V695 L877 L880	V661-L688 HydrophobicContact CB-CD1 4.49Å; V661-L688 HydrophobicContact CG1-CD1 4.25Å; V661-L688 HydrophobicContact CG2-CD1 4.49Å; R684-L688 PolarHBondContact O-N 2.94Å; L685-L688 HydrophobicContact CD2-CD1 4.29Å; L685-L688 WeakPolarHBondContact O-CB 3.5Å; L685-L688 PolarHBondContact O-N 3.45Å; L688-S690 VanDerWaalsContact C-N 3.28Å; L688-S690 PolarHBondContact O-N 3.06Å; L688-L691 PolarHBondContact O-N 3.41Å; L688-L691 VanDerWaalsContact O-N 3.16Å; L688-G692 PolarHBondContact O-N 3.01Å; L688-Y693 HydrophobicContact CB-CD2 4.43Å; L688-Y693 HydrophobicContact CD2-CD2 3.86Å; L688-Y693 HydrophobicContact CD2-CE2 4.23Å; L688-Y693 HydrophobicContact CD2-CG 4.36Å; L688-Y693 WeakPolarHBondContact O-CB 3.38Å; L688-Y693 WeakPolarHBondContact O-CD2 3.37Å; L688-Y693 PolarHBondContact O-N 3.46Å; L688-Y693 VanDerWaalsContact O-N 3.09Å; L688-V695 HydrophobicContact CB-CG2 3.66Å; L688-V695 HydrophobicContact CD1-CG2 4.28Å; L688-L877 HydrophobicContact CD2-CD2 3.43Å; L688-L877 VanDerWaalsContact CD2-CD2 3.43Å; L688-L877 HydrophobicContact CG-CD2 4.2Å; L688-L880 HydrophobicContact CD2-CD1 3.55Å
689	A	96.9	Very high	94.6	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-61.4	-37	176.6	0	0	0	0	0	112.7	P649 H650 L685 N686 T687 L691 G692 Y693	P649-A689 WeakPolarHBondContact CA-O 3.46Å; H650-A689 PolarHBondContact N-O 3.49Å; L685-A689 PolarHBondContact O-N 3.4Å; N686-A689 WeakPolarHBondContact O-CB 3.33Å; N686-A689 PolarHBondContact O-N 3.15Å; T687-A689 VanDerWaalsContact C-N 3.33Å; T687-A689 PolarHBondContact O-N 3.36Å; A689-L691 VanDerWaalsContact C-N 3.27Å; A689-L691 PolarHBondContact O-N 3.4Å; A689-G692 PolarHBondContact O-N 2.78Å; A689-G692 VanDerWaalsContact O-N 3.1Å; A689-Y693 WeakPolarHBondContact CA-O 3.31Å
690	S	95.2	Very high	95.1	Very high	54 Å²	54	21.5 Å²	21.5	38%	0.378	11%	0.106	S	C	.	.	H	α-helix	trans	-65.2	-28.9	176.3	80.3	0	0	0	0	113.9	H650 N686 T687 L688 G692	H650-S690 WeakPolarHBondContact ND1-CA 3.3Å; H650-S690 WeakPolarHBondContact ND1-CB 3.29Å; N686-S690 PolarHBondContact O-N 2.92Å; T687-S690 WeakPolarHBondContact O-CB 3.45Å; T687-S690 PolarHBondContact O-N 2.82Å; T687-S690 VanDerWaalsContact O-N 3.16Å; T687-S690 PolarHBondContact O-OG 3.09Å; L688-S690 VanDerWaalsContact C-N 3.28Å; L688-S690 PolarHBondContact O-N 3.06Å; S690-G692 VanDerWaalsContact C-N 3.28Å
691	L	96.1	Very high	95.8	Very high	33 Å²	33	20.4 Å²	20.4	17%	0.173	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	1.8	175.9	-62.3	174.1	0	0	0	113	V49 I60 T687 L688 A689 Y693 L877	V49-L691 WeakPolarHBondContact CG1-O 3.16Å; I60-L691 HydrophobicContact CD1-CD2 4.11Å; T687-L691 PolarHBondContact O-N 3.28Å; L688-L691 PolarHBondContact O-N 3.41Å; L688-L691 VanDerWaalsContact O-N 3.16Å; A689-L691 VanDerWaalsContact C-N 3.27Å; A689-L691 PolarHBondContact O-N 3.4Å; L691-Y693 HydrophobicContact CB-CD2 4.27Å; L691-Y693 HydrophobicContact CB-CE2 4.38Å; L691-L877 HydrophobicContact CD1-CD1 3.93Å; L691-L877 HydrophobicContact CD1-CD2 3.81Å; L691-L877 HydrophobicContact CD1-CG 4.45Å
692	G	96.6	Very high	96.4	Very high	3 Å²	3	13.2 Å²	13.2	3%	0.031	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.6	15.1	174.9	0	0	0	0	0	115	H658 L688 A689 S690	H658-G692 PolarHBondContact ND1-O 3.04Å; L688-G692 PolarHBondContact O-N 3.01Å; A689-G692 PolarHBondContact O-N 2.78Å; A689-G692 VanDerWaalsContact O-N 3.1Å; S690-G692 VanDerWaalsContact C-N 3.28Å
693	Y	98.3	Very high	96.7	Very high	3 Å²	3	11.9 Å²	11.9	1%	0.012	6%	0.062	C	C	.	.			trans	-82.3	141.1	169	-65.9	-84.2	0	0	0	110.9	V49 P659 V661 L688 A689 L691 L880 Q881 L884	V49-Y693 HydrophobicContact CB-CE2 4.49Å; V49-Y693 HydrophobicContact CG1-CD1 4.47Å; V49-Y693 HydrophobicContact CG1-CD2 4.24Å; V49-Y693 HydrophobicContact CG1-CE1 4.06Å; V49-Y693 HydrophobicContact CG1-CE2 3.84Å; P659-Y693 HydrophobicContact CB-CD1 4Å; P659-Y693 HydrophobicContact CB-CE1 4.09Å; P659-Y693 HydrophobicContact CG-CD1 3.68Å; P659-Y693 HydrophobicContact CG-CE1 3.78Å; P659-Y693 WeakPolarHBondContact O-CA 3.37Å; V661-Y693 HydrophobicContact CG2-CD1 3.94Å; V661-Y693 HydrophobicContact CG2-CG 4.25Å; L688-Y693 HydrophobicContact CB-CD2 4.43Å; L688-Y693 HydrophobicContact CD2-CD2 3.86Å; L688-Y693 HydrophobicContact CD2-CE2 4.23Å; L688-Y693 HydrophobicContact CD2-CG 4.36Å; L688-Y693 WeakPolarHBondContact O-CB 3.38Å; L688-Y693 WeakPolarHBondContact O-CD2 3.37Å; L688-Y693 PolarHBondContact O-N 3.46Å; L688-Y693 VanDerWaalsContact O-N 3.09Å; A689-Y693 WeakPolarHBondContact CA-O 3.31Å; L691-Y693 HydrophobicContact CB-CD2 4.27Å; L691-Y693 HydrophobicContact CB-CE2 4.38Å; Y693-L880 HydrophobicContact CE1-CB 4.24Å; Y693-L880 WeakPolarHBondContact OH-CB 3.48Å; Y693-L880 PolarHBondContact OH-O 3.19Å; Y693-Q881 VanDerWaalsContact OH-CA 3.31Å; Y693-Q881 WeakPolarHBondContact OH-CA 3.43Å; Y693-Q881 PolarHBondContact OH-N 3.49Å; Y693-Q881 VanDerWaalsContact OH-N 3.16Å; Y693-L884 HydrophobicContact CD1-CD2 4.33Å; Y693-L884 HydrophobicContact CE1-CD2 4.06Å
694	A	98.3	Very high	97.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.1	160.2	0	0	0	0	0	108.2	P649 P659 T660 V661 F739 V740	P649-A694 HydrophobicContact CG-CB 4.28Å; P659-A694 PolarHBondContact O-N 2.85Å; T660-A694 CarbonylContact C-O 3.45Å; T660-A694 VanDerWaalsContact CA-O 3.26Å; T660-A694 WeakPolarHBondContact CA-O 3.37Å; T660-A694 HydrophobicContact CG2-CB 4.18Å; V661-A694 PolarHBondContact N-O 3.24Å; A694-F739 HydrophobicContact CB-CD2 3.99Å; A694-F739 HydrophobicContact CB-CE2 3.72Å; A694-V740 HydrophobicContact CB-CG2 4.48Å
695	V	98.8	Very high	97.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.2	176.7	-170.5	0	0	0	0	109.8	V646 Y647 V661 L685 L688	V646-V695 CarbonylContact C-O 3.56Å; V646-V695 WeakPolarHBondContact CA-O 3.42Å; Y647-V695 HydrophobicContact CD2-CB 4.01Å; Y647-V695 HydrophobicContact CD2-CG1 4.23Å; Y647-V695 HydrophobicContact CG-CB 4.32Å; Y647-V695 PolarHBondContact N-O 3.41Å; Y647-V695 PolarHBondContact O-N 3.09Å; Y647-V695 VanDerWaalsContact O-N 3.15Å; V661-V695 VanDerWaalsContact O-CA 3.32Å; V661-V695 WeakPolarHBondContact O-CA 3.33Å; L685-V695 HydrophobicContact CB-CG1 4.17Å; L685-V695 HydrophobicContact CD1-CG1 4.4Å; L685-V695 HydrophobicContact CD2-CG1 4.08Å; L685-V695 HydrophobicContact CG-CG1 4.43Å; L688-V695 HydrophobicContact CB-CG2 3.66Å; L688-V695 HydrophobicContact CD1-CG2 4.28Å
696	V	98.8	Very high	97.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.3	-178.7	-178.1	0	0	0	0	109.3	F632 M645 V646 T660 V661 L662 F663 I698 L730 V733	F632-V696 HydrophobicContact CZ-CG1 4.36Å; M645-V696 WeakPolarHBondContact O-CA 3.19Å; V646-V696 HydrophobicContact CG2-CG2 4.41Å; T660-V696 HydrophobicContact CG2-CG2 4.04Å; V661-V696 PolarHBondContact O-N 2.91Å; L662-V696 WeakPolarHBondContact CA-O 3.35Å; L662-V696 HydrophobicContact CD1-CB 4.04Å; L662-V696 HydrophobicContact CD1-CG1 3.97Å; F663-V696 PolarHBondContact N-O 3.35Å; V696-I698 HydrophobicContact CG1-CD1 3.87Å; V696-I698 HydrophobicContact CG1-CG1 3.93Å; V696-L730 HydrophobicContact CB-CD1 4.49Å; V696-L730 HydrophobicContact CG2-CD1 4.21Å; V696-V733 HydrophobicContact CG1-CG2 4.28Å; V696-V733 HydrophobicContact CG2-CG1 4.07Å
697	V	98.9	Very high	97.6	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.012	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.5	170.8	-174.5	0	0	0	0	107.2	G644 M645 F663 L672 V673 L685	G644-V697 CarbonylContact C-O 3.53Å; G644-V697 WeakPolarHBondContact CA-O 3.5Å; M645-V697 HydrophobicContact CB-CB 4.27Å; M645-V697 HydrophobicContact CE-CB 4.13Å; M645-V697 HydrophobicContact CE-CG1 4.14Å; M645-V697 HydrophobicContact CE-CG2 4.33Å; M645-V697 PolarHBondContact N-O 3.45Å; M645-V697 PolarHBondContact O-N 2.69Å; F663-V697 HydrophobicContact CB-CG2 4.2Å; F663-V697 HydrophobicContact CD1-CG2 4.2Å; L672-V697 HydrophobicContact CB-CG1 3.77Å; L672-V697 HydrophobicContact CD1-CG1 3.65Å; L672-V697 HydrophobicContact CG-CG1 4.39Å; V673-V697 HydrophobicContact CG2-CG1 4.1Å; L685-V697 HydrophobicContact CD1-CG2 4.12Å
698	I	98.8	Very high	97.8	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.7	179.3	-63.2	152.1	0	0	0	108.4	F632 F634 L662 V696 G700 Q726	F632-I698 HydrophobicContact CZ-CG1 4.28Å; F634-I698 HydrophobicContact CE1-CG2 4.31Å; F634-I698 HydrophobicContact CZ-CG2 4.33Å; L662-I698 HydrophobicContact CD1-CD1 4.11Å; V696-I698 HydrophobicContact CG1-CD1 3.87Å; V696-I698 HydrophobicContact CG1-CG1 3.93Å; I698-G700 PolarHBondContact O-N 2.97Å; I698-Q726 WeakPolarHBondContact CD1-O 3.34Å; I698-Q726 PolarHBondContact O-NE2 3.19Å
699	D	98.8	Very high	97.9	Very high	5 Å²	5	19 Å²	19	3%	0.027	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	95.2	167.6	-80.4	-18.2	0	0	0	108.3	Y643 Q671 L672 V673	Y643-D699 PolarHBondContact O-N 2.66Å; Q671-D699 WeakPolarHBondContact CG-OD2 3.5Å; L672-D699 PolarHBondContact N-OD1 3.23Å; L672-D699 PolarHBondContact N-OD2 3.09Å; V673-D699 WeakPolarHBondContact CA-OD2 3.38Å; V673-D699 HydrophobicContact CB-CB 4.38Å; V673-D699 VanDerWaalsContact CB-OD2 3.3Å; V673-D699 WeakPolarHBondContact CB-OD2 3.4Å; V673-D699 HydrophobicContact CG2-CB 4.28Å; V673-D699 PolarHBondContact N-OD2 3.24Å
700	G	98.3	Very high	97.9	Very high	2 Å²	2	19 Å²	19	2%	0.021	10%	0.097	C	C	.	.			trans	-77.2	176.5	173.3	0	0	0	0	0	112.3	I698 S703 F710	I698-G700 PolarHBondContact O-N 2.97Å; G700-S703 PolarHBondContact O-N 3.17Å; G700-S703 PolarHBondContact O-OG 3.43Å; G700-F710 VanDerWaalsContact O-CE1 3.31Å; G700-F710 WeakPolarHBondContact O-CE1 3.48Å; G700-F710 WeakPolarHBondContact O-CZ 3.4Å
701	R	98.6	Very high	98.1	Very high	41 Å²	41	16.8 Å²	16.8	16%	0.155	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	142	172.3	-70.9	174.3	-72	167	-2.3	110.5	S638 F640 F710 A713 V721 E724 D725	S638-R701 PolarHBondContact OG-NE 2.96Å; F640-R701 HydrophobicContact CD2-CG 4.02Å; R701-F710 HydrophobicContact CG-CD2 4.26Å; R701-F710 HydrophobicContact CG-CE2 3.93Å; R701-F710 HydrophobicContact CG-CZ 4.3Å; R701-A713 HydrophobicContact CB-CB 3.69Å; R701-A713 HydrophobicContact CG-CB 4.32Å; R701-V721 VanDerWaalsContact NH2-CG1 3.25Å; R701-E724 IonicContact NH2-OE2 2.95Å; R701-D725 VanDerWaalsContact CB-OD2 3.3Å; R701-D725 WeakPolarHBondContact CB-OD2 3.47Å; R701-D725 WeakPolarHBondContact CG-OD2 3.29Å; R701-D725 IonicContact CZ-OD1 3.69Å; R701-D725 IonicContact CZ-OD2 3.43Å; R701-D725 PolarHBondContact N-OD2 3.42Å; R701-D725 IonicContact NE-OD1 2.75Å; R701-D725 PolarHBondContact NE-OD1 2.86Å; R701-D725 IonicContact NE-OD2 3.73Å; R701-D725 PolarHBondContact NE-OD2 2.88Å; R701-D725 IonicContact NH2-OD1 3.48Å; R701-D725 PolarHBondContact NH2-OD1 3.47Å; R701-D725 IonicContact NH2-OD2 3.4Å
702	G	98.1	Very high	98.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.1	-24.2	-171.4	0	0	0	0	0	115.3	P668 F710 E711	P668-G702 VanDerWaalsContact CA-O 3.25Å; P668-G702 WeakPolarHBondContact CA-O 3.21Å; G702-F710 PolarHBondContact N-O 3.25Å; G702-E711 WeakPolarHBondContact O-CG 3.35Å
703	S	98.3	Very high	98.3	Very high	2 Å²	2	17 Å²	17	1%	0.014	9%	0.089	C	C	.	.			trans	-68.9	158.1	171.7	55	0	0	0	0	112.1	V670 G700 F710	V670-S703 WeakPolarHBondContact O-CA 3.47Å; V670-S703 WeakPolarHBondContact O-CB 3.31Å; G700-S703 PolarHBondContact O-N 3.17Å; G700-S703 PolarHBondContact O-OG 3.43Å; S703-F710 WeakPolarHBondContact O-CD1 3.18Å; S703-F710 WeakPolarHBondContact OG-CE1 3.16Å
704	C	97.3	Very high	98.3	Very high	20 Å²	20	16.9 Å²	16.9	14%	0.135	9%	0.088	C	C	.	.	S	Bend	trans	-85.5	-176.6	-175.5	71.7	0	0	0	0	113.3	Q669 V670	Q669-C704 PolarHBondContact O-SG 3.39Å; V670-C704 PolarHBondContact N-SG 3.44Å; V670-C704 PolarHBondContact O-N 3.08Å
705	Q	97	Very high	98.3	Very high	30 Å²	30	19.8 Å²	19.8	14%	0.14	10%	0.101	C	C	.	.	S	Bend	trans	71.5	23.4	178.5	-52.1	-51.8	-58.1	0	0	115.2	E516 Q671	E516-Q705 VanDerWaalsContact CD-CA 3.43Å; E516-Q705 WeakPolarHBondContact OE1-CA 3.48Å; E516-Q705 PolarHBondContact OE1-NE2 2.81Å; E516-Q705 PolarHBondContact OE1-OE1 2.79Å; E516-Q705 VanDerWaalsContact OE2-CA 3.28Å; E516-Q705 WeakPolarHBondContact OE2-CA 3.4Å; Q671-Q705 HydrophobicContact CB-CG 4.21Å
706	R	97.9	Very high	98.3	Very high	44 Å²	44	21.9 Å²	21.9	17%	0.166	11%	0.112	C	C	.	.	S	Bend	trans	-141.6	10.8	-170.7	-63.2	-63.4	-56.2	-80.9	0.5	113.3	E516 Q641 F710	E516-R706 PolarHBondContact OE2-N 3.31Å; Q641-R706 VanDerWaalsContact O-CZ 3.28Å; Q641-R706 PolarHBondContact O-NH1 3.49Å; Q641-R706 PolarHBondContact O-NH2 3.49Å; R706-F710 HydrophobicContact CB-CB 3.74Å; R706-F710 HydrophobicContact CB-CD1 3.4Å; R706-F710 VanDerWaalsContact CB-CD1 3.4Å; R706-F710 HydrophobicContact CB-CD2 4.23Å; R706-F710 HydrophobicContact CB-CE1 4.01Å; R706-F710 HydrophobicContact CB-CG 3.52Å; R706-F710 HydrophobicContact CG-CD1 3.87Å; R706-F710 HydrophobicContact CG-CE1 3.94Å; R706-F710 HydrophobicContact CG-CG 4.26Å; R706-F710 HydrophobicContact CG-CZ 4.39Å; R706-F710 WeakPolarHBondContact O-CB 3.32Å
707	G	97.9	Very high	98.3	Very high	4 Å²	4	27.2 Å²	27.2	4%	0.041	14%	0.135	C	C	.	.			trans	79.1	163.1	-174.6	0	0	0	0	0	114.7	G471 E516 E709 F710 E711	G471-G707 CarbonylContact O-C 3.57Å; G471-G707 VanDerWaalsContact O-CA 3.24Å; G471-G707 WeakPolarHBondContact O-CA 3.39Å; E516-G707 PolarHBondContact OE2-N 3.36Å; E516-G707 VanDerWaalsContact OE2-N 3.11Å; G707-E709 PolarHBondContact O-N 3.45Å; G707-F710 PolarHBondContact O-N 3.36Å; G707-E711 PolarHBondContact O-N 3.06Å; G707-E711 VanDerWaalsContact O-N 3.13Å
708	L	98.2	Very high	98.3	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-68.7	-28.9	-170.6	-171.4	58.6	0	0	0	113.6	V441 E467 G471 G712	V441-L708 HydrophobicContact CB-CD1 4Å; V441-L708 HydrophobicContact CB-CD2 3.97Å; V441-L708 HydrophobicContact CB-CG 3.81Å; V441-L708 HydrophobicContact CG1-CD1 3.71Å; V441-L708 HydrophobicContact CG1-CG 3.92Å; V441-L708 HydrophobicContact CG2-CD2 4.29Å; V441-L708 HydrophobicContact CG2-CG 4.08Å; E467-L708 HydrophobicContact CG-CB 3.8Å; E467-L708 HydrophobicContact CG-CD2 4.18Å; E467-L708 HydrophobicContact CG-CG 4.49Å; G471-L708 PolarHBondContact O-N 2.94Å; L708-G712 VanDerWaalsContact O-CA 3.29Å; L708-G712 WeakPolarHBondContact O-CA 3.21Å; L708-G712 PolarHBondContact O-N 2.83Å
709	E	98	Very high	98.3	Very high	150 Å²	150	27.1 Å²	27.1	70%	0.701	13%	0.134	S	C	*	.	H	α-helix	trans	-67.2	-40.6	175	-171.8	-178.1	176.5	0	0	111.2	F640 G707 G712 A713	F640-E709 HydrophobicContact CZ-CG 4.23Å; G707-E709 PolarHBondContact O-N 3.45Å; E709-G712 PolarHBondContact O-N 3.03Å; E709-A713 PolarHBondContact O-N 3.25Å
710	F	98.6	Very high	98.2	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-69.5	-42	178.1	-175	-86	0	0	0	111.6	F640 L642 G700 R701 G702 S703 R706 G707	F640-F710 HydrophobicContact CB-CD2 4.04Å; F640-F710 HydrophobicContact CB-CE2 3.89Å; F640-F710 AromaticContact CD1-CD2 3.64Å; F640-F710 HydrophobicContact CD1-CD2 3.64Å; F640-F710 HydrophobicContact CD1-CE2 4.36Å; F640-F710 HydrophobicContact CD2-CD2 4.13Å; F640-F710 HydrophobicContact CE1-CB 4.33Å; F640-F710 HydrophobicContact CE1-CD2 4.07Å; F640-F710 AromaticContact CG-CD2 3.67Å; F640-F710 HydrophobicContact CG-CD2 3.67Å; F640-F710 HydrophobicContact CG-CE2 4.02Å; F640-F710 HydrophobicContact CZ-CD2 4.47Å; L642-F710 HydrophobicContact CD2-CE2 3.65Å; L642-F710 HydrophobicContact CD2-CZ 3.74Å; G700-F710 VanDerWaalsContact O-CE1 3.31Å; G700-F710 WeakPolarHBondContact O-CE1 3.48Å; G700-F710 WeakPolarHBondContact O-CZ 3.4Å; R701-F710 HydrophobicContact CG-CD2 4.26Å; R701-F710 HydrophobicContact CG-CE2 3.93Å; R701-F710 HydrophobicContact CG-CZ 4.3Å; G702-F710 PolarHBondContact N-O 3.25Å; S703-F710 WeakPolarHBondContact O-CD1 3.18Å; S703-F710 WeakPolarHBondContact OG-CE1 3.16Å; R706-F710 HydrophobicContact CB-CB 3.74Å; R706-F710 HydrophobicContact CB-CD1 3.4Å; R706-F710 VanDerWaalsContact CB-CD1 3.4Å; R706-F710 HydrophobicContact CB-CD2 4.23Å; R706-F710 HydrophobicContact CB-CE1 4.01Å; R706-F710 HydrophobicContact CB-CG 3.52Å; R706-F710 HydrophobicContact CG-CD1 3.87Å; R706-F710 HydrophobicContact CG-CE1 3.94Å; R706-F710 HydrophobicContact CG-CG 4.26Å; R706-F710 HydrophobicContact CG-CZ 4.39Å; R706-F710 WeakPolarHBondContact O-CB 3.32Å; G707-F710 PolarHBondContact O-N 3.36Å
711	E	98.6	Very high	98.2	Very high	6 Å²	6	30 Å²	30	3%	0.028	15%	0.149	C	C	.	.	H	α-helix	trans	-66.3	-42.2	174.2	-151.6	-167.6	-170.3	0	0	111	W442 N444 P668 Q669 G702 G707 A713 L714	W442-E711 WeakPolarHBondContact CH2-O 3.19Å; W442-E711 HydrophobicContact CZ2-CB 4.04Å; W442-E711 HydrophobicContact CZ2-CG 3.8Å; W442-E711 PolarHBondContact NE1-OE2 3.44Å; W442-E711 VanDerWaalsContact NE1-OE2 3.09Å; N444-E711 PolarHBondContact ND2-OE2 2.77Å; P668-E711 HydrophobicContact CB-CG 4.43Å; Q669-E711 PolarHBondContact N-OE1 3.27Å; G702-E711 WeakPolarHBondContact O-CG 3.35Å; G707-E711 PolarHBondContact O-N 3.06Å; G707-E711 VanDerWaalsContact O-N 3.13Å; E711-A713 PolarHBondContact O-N 3.42Å; E711-A713 VanDerWaalsContact O-N 3.09Å; E711-L714 PolarHBondContact O-N 3.09Å
712	G	98.3	Very high	98.2	Very high	15 Å²	15	28.2 Å²	28.2	16%	0.155	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-64.3	-10.9	-176.8	0	0	0	0	0	115.6	L708 E709 L714 K715	L708-G712 VanDerWaalsContact O-CA 3.29Å; L708-G712 WeakPolarHBondContact O-CA 3.21Å; L708-G712 PolarHBondContact O-N 2.83Å; E709-G712 PolarHBondContact O-N 3.03Å; G712-L714 PolarHBondContact O-N 2.81Å; G712-L714 VanDerWaalsContact O-N 3.09Å; G712-K715 WeakPolarHBondContact O-CB 3.25Å; G712-K715 PolarHBondContact O-N 2.97Å
713	A	98.4	Very high	98.2	Very high	27 Å²	27	28.2 Å²	28.2	22%	0.223	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-57.4	-23.7	175.1	0	0	0	0	0	113.4	R701 E709 E711	R701-A713 HydrophobicContact CB-CB 3.69Å; R701-A713 HydrophobicContact CG-CB 4.32Å; E709-A713 PolarHBondContact O-N 3.25Å; E711-A713 PolarHBondContact O-N 3.42Å; E711-A713 VanDerWaalsContact O-N 3.09Å
714	L	98.4	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-85.6	-8.9	177.7	-56.9	-172.6	0	0	0	114.1	E711 G712 N716 K717 M718 V721 E722	E711-L714 PolarHBondContact O-N 3.09Å; G712-L714 PolarHBondContact O-N 2.81Å; G712-L714 VanDerWaalsContact O-N 3.09Å; L714-N716 PolarHBondContact O-N 2.85Å; L714-N716 VanDerWaalsContact O-N 3.08Å; L714-K717 CarbonylContact O-C 3.51Å; L714-K717 PolarHBondContact O-N 3.08Å; L714-M718 HydrophobicContact CB-CG 4.29Å; L714-M718 PolarHBondContact O-N 2.63Å; L714-V721 HydrophobicContact CD2-CB 4.34Å; L714-E722 VanDerWaalsContact CD2-CD 3.4Å; L714-E722 HydrophobicContact CD2-CG 3.67Å
715	K	98.7	Very high	98.3	Very high	61 Å²	61	32.1 Å²	32.1	27%	0.265	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	120	-174.2	-169.4	-170.5	-179.4	-156.8	0	110.6	D440 W442 G712 K717 Y791	D440-K715 WeakPolarHBondContact O-CE 3.26Å; D440-K715 PolarHBondContact O-NZ 3.22Å; W442-K715 HydrophobicContact CE3-CB 4.48Å; W442-K715 HydrophobicContact CE3-CG 4.37Å; W442-K715 HydrophobicContact CH2-CB 4.47Å; W442-K715 HydrophobicContact CZ3-CB 3.69Å; W442-K715 HydrophobicContact CZ3-CG 4.03Å; G712-K715 WeakPolarHBondContact O-CB 3.25Å; G712-K715 PolarHBondContact O-N 2.97Å; K715-K717 PolarHBondContact O-N 2.69Å; K715-Y791 WeakPolarHBondContact CA-O 3.42Å
716	N	98.7	Very high	98.4	Very high	43 Å²	43	30.7 Å²	30.7	23%	0.23	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	8.5	-178.6	-59.8	-3.1	0	0	0	115.1	L714 Y791 N798	L714-N716 PolarHBondContact O-N 2.85Å; L714-N716 VanDerWaalsContact O-N 3.08Å; N716-Y791 PolarHBondContact N-O 2.83Å; N716-N798 VanDerWaalsContact CA-ND2 3.31Å; N716-N798 WeakPolarHBondContact CA-ND2 3.32Å; N716-N798 VanDerWaalsContact CB-ND2 3.32Å; N716-N798 WeakPolarHBondContact CB-ND2 3.44Å; N716-N798 PolarHBondContact O-ND2 2.82Å; N716-N798 VanDerWaalsContact O-ND2 3.08Å
717	K	98.4	Very high	98.4	Very high	113 Å²	113	28.7 Å²	28.7	49%	0.491	14%	0.144	S	C	.	.			trans	-140.3	27.2	-168.2	-61.8	-178.9	-176	178.1	0	114.3	L714 K715 G719 Q720 M792	L714-K717 CarbonylContact O-C 3.51Å; L714-K717 PolarHBondContact O-N 3.08Å; K715-K717 PolarHBondContact O-N 2.69Å; K717-G719 PolarHBondContact O-N 2.86Å; K717-Q720 HydrophobicContact CB-CB 4.45Å; K717-Q720 HydrophobicContact CB-CG 4.47Å; K717-Q720 WeakPolarHBondContact O-CB 3.26Å; K717-Q720 WeakPolarHBondContact O-CG 3.18Å; K717-Q720 PolarHBondContact O-N 2.78Å; K717-Q720 VanDerWaalsContact O-N 3.12Å; K717-M792 PolarHBondContact N-SD 2.81Å
718	M	98.8	Very high	98.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	131	177.5	-74.1	-175.3	148.3	0	0	111.9	P668 L714 Y752 W780 Y787 Y791 M792 G805	P668-M718 HydrophobicContact CG-CE 3.69Å; L714-M718 HydrophobicContact CB-CG 4.29Å; L714-M718 PolarHBondContact O-N 2.63Å; M718-Y752 VanDerWaalsContact CB-OH 3.32Å; M718-Y752 WeakPolarHBondContact CB-OH 3.42Å; M718-Y752 HydrophobicContact CE-CE2 3.74Å; M718-Y752 HydrophobicContact CG-CE2 4.38Å; M718-Y752 VanDerWaalsContact CG-OH 3.29Å; M718-Y752 WeakPolarHBondContact CG-OH 3.46Å; M718-Y752 HydrophobicContact SD-CE2 3.87Å; M718-W780 HydrophobicContact CB-CZ2 4.15Å; M718-W780 HydrophobicContact SD-CH2 3.85Å; M718-W780 HydrophobicContact SD-CZ2 3.92Å; M718-W780 HydrophobicContact SD-CZ3 4.35Å; M718-Y787 HydrophobicContact CE-CE1 3.92Å; M718-Y787 HydrophobicContact SD-CE1 4.19Å; M718-Y791 HydrophobicContact CE-CD1 4.21Å; M718-Y791 HydrophobicContact CE-CD2 3.59Å; M718-Y791 HydrophobicContact CE-CE2 4.46Å; M718-Y791 HydrophobicContact CE-CG 3.45Å; M718-Y791 VanDerWaalsContact CE-CG 3.45Å; M718-Y791 HydrophobicContact SD-CG 4.49Å; M718-M792 HydrophobicContact CB-CE 4.37Å; M718-M792 HydrophobicContact CB-CG 4.38Å; M718-M792 HydrophobicContact CB-SD 3.6Å; M718-M792 HydrophobicContact CG-CG 4.13Å; M718-M792 HydrophobicContact CG-SD 3.63Å; M718-M792 PolarHBondContact N-SD 2.57Å; M718-M792 VanDerWaalsContact N-SD 3.36Å; M718-M792 HydrophobicContact SD-CG 3.9Å; M718-M792 HydrophobicContact SD-SD 4.23Å; M718-G805 WeakPolarHBondContact O-CA 3.26Å
719	G	98.3	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-4	-178.1	0	0	0	0	0	115.7	K717 E722 F755 Q763	K717-G719 PolarHBondContact O-N 2.86Å; G719-E722 VanDerWaalsContact CA-OE2 3.22Å; G719-E722 WeakPolarHBondContact CA-OE2 3.38Å; G719-E722 VanDerWaalsContact N-CD 3.31Å; G719-E722 PolarHBondContact N-OE1 3.03Å; G719-E722 PolarHBondContact N-OE2 3.12Å; G719-F755 VanDerWaalsContact CA-CZ 3.44Å; G719-Q763 PolarHBondContact O-NE2 2.85Å
720	Q	98.1	Very high	98.4	Very high	52 Å²	52	22.6 Å²	22.6	24%	0.243	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-32.1	-176.3	-55.7	-177.7	28.3	0	0	113.3	K717 E722 E804	K717-Q720 HydrophobicContact CB-CB 4.45Å; K717-Q720 HydrophobicContact CB-CG 4.47Å; K717-Q720 WeakPolarHBondContact O-CB 3.26Å; K717-Q720 WeakPolarHBondContact O-CG 3.18Å; K717-Q720 PolarHBondContact O-N 2.78Å; K717-Q720 VanDerWaalsContact O-N 3.12Å; Q720-E722 PolarHBondContact N-OE2 3.03Å; Q720-E722 VanDerWaalsContact N-OE2 3.08Å; Q720-E804 VanDerWaalsContact CD-OE2 3.23Å; Q720-E804 PolarHBondContact NE2-OE2 3.24Å; Q720-E804 PolarHBondContact OE1-OE2 3.26Å
721	V	97.8	Very high	98.4	Very high	17 Å²	17	26.6 Å²	26.6	10%	0.103	13%	0.133	C	C	.	.	S	Bend	trans	-99.6	-32.8	-168.3	-177.4	0	0	0	0	110.9	R701 L714 I723 E724	R701-V721 VanDerWaalsContact NH2-CG1 3.25Å; L714-V721 HydrophobicContact CD2-CB 4.34Å; V721-I723 PolarHBondContact O-N 3.08Å; V721-E724 WeakPolarHBondContact O-CB 3.35Å; V721-E724 PolarHBondContact O-N 3.21Å
722	E	98.7	Very high	98.4	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-67	-43.3	-167.3	-57.4	93.9	130.9	0	0	112	L714 G719 Q720 E724 D725 Q726 Y752 L756	L714-E722 VanDerWaalsContact CD2-CD 3.4Å; L714-E722 HydrophobicContact CD2-CG 3.67Å; G719-E722 VanDerWaalsContact CA-OE2 3.22Å; G719-E722 WeakPolarHBondContact CA-OE2 3.38Å; G719-E722 VanDerWaalsContact N-CD 3.31Å; G719-E722 PolarHBondContact N-OE1 3.03Å; G719-E722 PolarHBondContact N-OE2 3.12Å; Q720-E722 PolarHBondContact N-OE2 3.03Å; Q720-E722 VanDerWaalsContact N-OE2 3.08Å; E722-E724 PolarHBondContact O-N 3.05Å; E722-D725 PolarHBondContact O-N 2.91Å; E722-Q726 VanDerWaalsContact O-CG 3.32Å; E722-Q726 WeakPolarHBondContact O-CG 3.24Å; E722-Q726 PolarHBondContact O-N 2.89Å; E722-Y752 PolarHBondContact OE1-OH 2.79Å; E722-L756 HydrophobicContact CB-CD1 3.69Å; E722-L756 HydrophobicContact CB-CD2 3.82Å; E722-L756 HydrophobicContact CB-CG 4.44Å; E722-L756 HydrophobicContact CG-CD1 4.04Å; E722-L756 HydrophobicContact CG-CD2 4.08Å
723	I	98.7	Very high	98.3	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-66.3	-29.4	-177.1	-59.2	-55.9	0	0	0	111.6	V721 V727 I747 L756 M759 R764 F768	V721-I723 PolarHBondContact O-N 3.08Å; I723-V727 HydrophobicContact CG2-CG2 4.33Å; I723-V727 VanDerWaalsContact O-CG2 3.3Å; I723-V727 WeakPolarHBondContact O-CG2 3.43Å; I723-V727 PolarHBondContact O-N 2.85Å; I723-I747 HydrophobicContact CD1-CD1 4.28Å; I723-L756 HydrophobicContact CD1-CB 4.22Å; I723-L756 HydrophobicContact CD1-CD2 4.37Å; I723-L756 WeakPolarHBondContact CD1-O 3.23Å; I723-M759 HydrophobicContact CD1-CB 4.42Å; I723-M759 HydrophobicContact CG1-CB 4.09Å; I723-R764 HydrophobicContact CG2-CB 4.5Å; I723-R764 HydrophobicContact CG2-CG 3.81Å; I723-F768 HydrophobicContact CG2-CE2 4.1Å
724	E	98.3	Very high	98.2	Very high	103 Å²	103	28 Å²	28	48%	0.481	13%	0.131	S	C	.	.	H	α-helix	trans	-61.7	-52.1	173.8	-58.5	-173.1	153.5	0	0	110.5	R701 V721 E722 Q726 V727 E728	R701-E724 IonicContact NH2-OE2 2.95Å; V721-E724 WeakPolarHBondContact O-CB 3.35Å; V721-E724 PolarHBondContact O-N 3.21Å; E722-E724 PolarHBondContact O-N 3.05Å; E724-Q726 VanDerWaalsContact C-N 3.32Å; E724-Q726 PolarHBondContact O-N 3.44Å; E724-V727 PolarHBondContact O-N 2.87Å; E724-E728 WeakPolarHBondContact O-CG 3.35Å; E724-E728 PolarHBondContact O-N 3.19Å
725	D	98.6	Very high	98.1	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-39.9	179.7	-67.5	-2.5	0	0	0	111.5	L642 R701 E722 E728 G729	L642-D725 HydrophobicContact CD1-CB 3.85Å; R701-D725 VanDerWaalsContact CB-OD2 3.3Å; R701-D725 WeakPolarHBondContact CB-OD2 3.47Å; R701-D725 WeakPolarHBondContact CG-OD2 3.29Å; R701-D725 IonicContact CZ-OD1 3.69Å; R701-D725 IonicContact CZ-OD2 3.43Å; R701-D725 PolarHBondContact N-OD2 3.42Å; R701-D725 IonicContact NE-OD1 2.75Å; R701-D725 PolarHBondContact NE-OD1 2.86Å; R701-D725 IonicContact NE-OD2 3.73Å; R701-D725 PolarHBondContact NE-OD2 2.88Å; R701-D725 IonicContact NH2-OD1 3.48Å; R701-D725 PolarHBondContact NH2-OD1 3.47Å; R701-D725 IonicContact NH2-OD2 3.4Å; E722-D725 PolarHBondContact O-N 2.91Å; D725-E728 PolarHBondContact O-N 3.25Å; D725-G729 PolarHBondContact O-N 3.05Å
726	Q	98.8	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-43.4	175.8	-67.1	-55.7	-50.2	0	0	112.3	L662 V664 I698 E722 E724 L730	L662-Q726 HydrophobicContact CD2-CB 3.89Å; L662-Q726 HydrophobicContact CD2-CG 4.29Å; V664-Q726 HydrophobicContact CG2-CG 4.24Å; I698-Q726 WeakPolarHBondContact CD1-O 3.34Å; I698-Q726 PolarHBondContact O-NE2 3.19Å; E722-Q726 VanDerWaalsContact O-CG 3.32Å; E722-Q726 WeakPolarHBondContact O-CG 3.24Å; E722-Q726 PolarHBondContact O-N 2.89Å; E724-Q726 VanDerWaalsContact C-N 3.32Å; E724-Q726 PolarHBondContact O-N 3.44Å; Q726-L730 WeakPolarHBondContact O-CB 3.46Å; Q726-L730 PolarHBondContact O-N 2.69Å
727	V	98.6	Very high	97.7	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-70.8	-38	179.2	174	0	0	0	0	111.3	I723 E724 L730 Q731 R764 I767 F768	I723-V727 HydrophobicContact CG2-CG2 4.33Å; I723-V727 VanDerWaalsContact O-CG2 3.3Å; I723-V727 WeakPolarHBondContact O-CG2 3.43Å; I723-V727 PolarHBondContact O-N 2.85Å; E724-V727 PolarHBondContact O-N 2.87Å; V727-L730 PolarHBondContact O-N 3.44Å; V727-Q731 HydrophobicContact CG1-CG 4.37Å; V727-Q731 VanDerWaalsContact O-CG 3.3Å; V727-Q731 WeakPolarHBondContact O-CG 3.45Å; V727-Q731 PolarHBondContact O-N 3.02Å; V727-R764 HydrophobicContact CG2-CG 4.35Å; V727-I767 HydrophobicContact CG1-CG1 4.43Å; V727-I767 HydrophobicContact CG2-CG2 4.43Å; V727-F768 HydrophobicContact CG2-CE2 3.92Å; V727-F768 HydrophobicContact CG2-CZ 3.97Å
728	E	98.3	Very high	97.4	Very high	30 Å²	30	37 Å²	37	14%	0.14	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-48.4	175.4	-72	-170.7	175.3	0	0	111.6	F634 K637 E724 D725 L730 Q731 Y732	F634-E728 HydrophobicContact CE2-CB 4.11Å; K637-E728 WeakPolarHBondContact CB-OE1 3.23Å; K637-E728 VanDerWaalsContact CD-OE1 3.26Å; K637-E728 WeakPolarHBondContact CD-OE1 3.42Å; K637-E728 WeakPolarHBondContact CE-OE1 3.44Å; K637-E728 VanDerWaalsContact CG-OE1 3.3Å; K637-E728 WeakPolarHBondContact CG-OE1 3.46Å; K637-E728 PolarHBondContact N-OE2 2.79Å; K637-E728 IonicContact NZ-OE1 3.76Å; K637-E728 PolarHBondContact NZ-OE1 3.03Å; E724-E728 WeakPolarHBondContact O-CG 3.35Å; E724-E728 PolarHBondContact O-N 3.19Å; D725-E728 PolarHBondContact O-N 3.25Å; E728-L730 VanDerWaalsContact C-N 3.31Å; E728-L730 PolarHBondContact O-N 3.34Å; E728-Q731 PolarHBondContact O-N 3.48Å; E728-Y732 PolarHBondContact O-N 3.38Å
729	G	98.2	Very high	97.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.8	-37.1	176.7	0	0	0	0	0	112.4	D725 Q731 Y732 V733	D725-G729 PolarHBondContact O-N 3.05Å; G729-Q731 PolarHBondContact O-N 3.13Å; G729-Y732 WeakPolarHBondContact O-CB 3.48Å; G729-Y732 PolarHBondContact O-N 2.68Å; G729-V733 VanDerWaalsContact O-CG2 3.29Å; G729-V733 WeakPolarHBondContact O-CG2 3.48Å; G729-V733 PolarHBondContact O-N 2.61Å
730	L	98.2	Very high	97.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-64.6	-40.6	176.3	-171.3	68	0	0	0	112.4	T660 V696 Q726 V727 E728 V733 A734 L742 V745 I767	T660-L730 HydrophobicContact CG2-CD1 3.88Å; V696-L730 HydrophobicContact CB-CD1 4.49Å; V696-L730 HydrophobicContact CG2-CD1 4.21Å; Q726-L730 WeakPolarHBondContact O-CB 3.46Å; Q726-L730 PolarHBondContact O-N 2.69Å; V727-L730 PolarHBondContact O-N 3.44Å; E728-L730 VanDerWaalsContact C-N 3.31Å; E728-L730 PolarHBondContact O-N 3.34Å; L730-V733 PolarHBondContact O-N 3.37Å; L730-A734 WeakPolarHBondContact O-CB 3.17Å; L730-A734 PolarHBondContact O-N 3.43Å; L730-L742 HydrophobicContact CD2-CD2 3.97Å; L730-L742 HydrophobicContact CG-CD2 3.79Å; L730-V745 HydrophobicContact CD2-CB 4.42Å; L730-V745 HydrophobicContact CD2-CG1 3.67Å; L730-V745 HydrophobicContact CD2-CG2 3.99Å; L730-I767 HydrophobicContact CD2-CG2 4.1Å
731	Q	97.9	Very high	97	Very high	85 Å²	85	35.8 Å²	35.8	40%	0.397	17%	0.171	S	C	.	.	H	α-helix	trans	-63.4	-44.5	174.5	-73.2	173.3	-16.4	0	0	111.3	V727 E728 G729 V733 A734 E735	V727-Q731 HydrophobicContact CG1-CG 4.37Å; V727-Q731 VanDerWaalsContact O-CG 3.3Å; V727-Q731 WeakPolarHBondContact O-CG 3.45Å; V727-Q731 PolarHBondContact O-N 3.02Å; E728-Q731 PolarHBondContact O-N 3.48Å; G729-Q731 PolarHBondContact O-N 3.13Å; Q731-V733 PolarHBondContact O-N 2.96Å; Q731-A734 PolarHBondContact O-N 3.45Å; Q731-E735 PolarHBondContact O-N 2.97Å
732	Y	98.1	Very high	96.9	Very high	65 Å²	65	38.1 Å²	38.1	26%	0.255	18%	0.182	S	C	.	.	H	α-helix	trans	-58	-47.3	175	173.9	-90.9	0	0	0	112.1	F632 D633 F634 E728 G729 A734 E735 K736	F632-Y732 AromaticContact CD2-CD1 3.81Å; F632-Y732 HydrophobicContact CD2-CD1 3.81Å; F632-Y732 AromaticContact CD2-CE1 3.62Å; F632-Y732 HydrophobicContact CD2-CE1 3.62Å; F632-Y732 AromaticContact CE2-CD1 3.94Å; F632-Y732 HydrophobicContact CE2-CD1 3.94Å; F632-Y732 HydrophobicContact CE2-CE1 4.23Å; F632-Y732 HydrophobicContact CG-CE1 4.35Å; D633-Y732 PolarHBondContact O-OH 3.47Å; F634-Y732 HydrophobicContact CB-CD1 4.02Å; F634-Y732 HydrophobicContact CB-CD2 3.58Å; F634-Y732 HydrophobicContact CB-CE1 4.13Å; F634-Y732 HydrophobicContact CB-CE2 3.67Å; F634-Y732 HydrophobicContact CB-CG 3.75Å; F634-Y732 HydrophobicContact CD1-CD1 4.31Å; F634-Y732 HydrophobicContact CD1-CG 4.47Å; F634-Y732 HydrophobicContact CG-CD1 4.34Å; F634-Y732 HydrophobicContact CG-CD2 4.36Å; F634-Y732 HydrophobicContact CG-CG 4.09Å; E728-Y732 PolarHBondContact O-N 3.38Å; G729-Y732 WeakPolarHBondContact O-CB 3.48Å; G729-Y732 PolarHBondContact O-N 2.68Å; Y732-A734 VanDerWaalsContact C-N 3.3Å; Y732-A734 PolarHBondContact O-N 3.19Å; Y732-E735 PolarHBondContact O-N 2.82Å; Y732-K736 HydrophobicContact CD1-CD 4.49Å; Y732-K736 HydrophobicContact CE1-CB 4.38Å; Y732-K736 HydrophobicContact CE1-CD 3.5Å; Y732-K736 VanDerWaalsContact O-CB 3.3Å; Y732-K736 WeakPolarHBondContact O-CB 3.4Å; Y732-K736 PolarHBondContact O-N 2.95Å; Y732-K736 WeakPolarHBondContact OH-CD 3.48Å; Y732-K736 PolarHBondContact OH-NZ 2.75Å
733	V	97.4	Very high	96.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.2	-40.7	178.3	176	0	0	0	0	110.7	F632 V646 V696 G729 L730 Q731 E735 K736 F737 V740	F632-V733 HydrophobicContact CD1-CG2 4.32Å; F632-V733 HydrophobicContact CD2-CG2 4.37Å; F632-V733 HydrophobicContact CE1-CG2 3.55Å; F632-V733 HydrophobicContact CE2-CG2 3.63Å; F632-V733 HydrophobicContact CZ-CG2 3.15Å; V646-V733 HydrophobicContact CG2-CG1 4.1Å; V696-V733 HydrophobicContact CG1-CG2 4.28Å; V696-V733 HydrophobicContact CG2-CG1 4.07Å; G729-V733 VanDerWaalsContact O-CG2 3.29Å; G729-V733 WeakPolarHBondContact O-CG2 3.48Å; G729-V733 PolarHBondContact O-N 2.61Å; L730-V733 PolarHBondContact O-N 3.37Å; Q731-V733 PolarHBondContact O-N 2.96Å; V733-E735 PolarHBondContact O-N 3.25Å; V733-K736 PolarHBondContact O-N 2.95Å; V733-F737 HydrophobicContact CB-CD2 4.23Å; V733-F737 HydrophobicContact CG1-CD2 3.62Å; V733-F737 HydrophobicContact CG1-CE2 4.22Å; V733-F737 HydrophobicContact CG1-CG 4.49Å; V733-F737 WeakPolarHBondContact O-CB 3.3Å; V733-F737 WeakPolarHBondContact O-CD2 3.16Å; V733-F737 PolarHBondContact O-N 2.92Å; V733-V740 HydrophobicContact CG1-CG2 3.73Å
734	A	96.2	Very high	96.8	Very high	13 Å²	13	41.7 Å²	41.7	11%	0.107	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-41.3	179.2	0	0	0	0	0	113.1	L730 Q731 Y732 N738 V740 L742	L730-A734 WeakPolarHBondContact O-CB 3.17Å; L730-A734 PolarHBondContact O-N 3.43Å; Q731-A734 PolarHBondContact O-N 3.45Å; Y732-A734 VanDerWaalsContact C-N 3.3Å; Y732-A734 PolarHBondContact O-N 3.19Å; A734-N738 PolarHBondContact O-N 2.83Å; A734-V740 HydrophobicContact CB-CB 3.89Å; A734-V740 HydrophobicContact CB-CG1 3.86Å; A734-L742 HydrophobicContact CB-CD1 3.8Å; A734-L742 HydrophobicContact CB-CD2 3.92Å; A734-L742 HydrophobicContact CB-CG 3.78Å
735	E	95.8	Very high	96.8	Very high	168 Å²	168	36.8 Å²	36.8	79%	0.785	18%	0.181	S	C	*	.	H	α-helix	trans	-68	-50	175.6	-174.2	176.7	177.8	0	0	111.6	Q731 Y732 V733	Q731-E735 PolarHBondContact O-N 2.97Å; Y732-E735 PolarHBondContact O-N 2.82Å; V733-E735 PolarHBondContact O-N 3.25Å
736	K	95.9	Very high	96.8	Very high	99 Å²	99	36.8 Å²	36.8	43%	0.43	18%	0.181	S	C	.	.	H	α-helix	trans	-67.6	-44.5	-174.4	-178.5	171.7	-176.2	177.8	0	113.5	Y732 V733	Y732-K736 HydrophobicContact CD1-CD 4.49Å; Y732-K736 HydrophobicContact CE1-CB 4.38Å; Y732-K736 HydrophobicContact CE1-CD 3.5Å; Y732-K736 VanDerWaalsContact O-CB 3.3Å; Y732-K736 WeakPolarHBondContact O-CB 3.4Å; Y732-K736 PolarHBondContact O-N 2.95Å; Y732-K736 WeakPolarHBondContact OH-CD 3.48Å; Y732-K736 PolarHBondContact OH-NZ 2.75Å; V733-K736 PolarHBondContact O-N 2.95Å
737	F	92.6	Very high	96.8	Very high	32 Å²	32	36.8 Å²	36.8	14%	0.14	18%	0.181	C	C	.	.	H	α-helix	trans	-101.2	-14.5	-169.3	-66.3	-80.4	0	0	0	114.1	F632 V646 V733 F739	F632-F737 HydrophobicContact CD1-CE2 4.48Å; V646-F737 HydrophobicContact CG1-CD2 4.5Å; V646-F737 HydrophobicContact CG1-CE1 4.13Å; V646-F737 HydrophobicContact CG1-CE2 3.88Å; V646-F737 HydrophobicContact CG1-CZ 3.67Å; V733-F737 HydrophobicContact CB-CD2 4.23Å; V733-F737 HydrophobicContact CG1-CD2 3.62Å; V733-F737 HydrophobicContact CG1-CE2 4.22Å; V733-F737 HydrophobicContact CG1-CG 4.49Å; V733-F737 WeakPolarHBondContact O-CB 3.3Å; V733-F737 WeakPolarHBondContact O-CD2 3.16Å; V733-F737 PolarHBondContact O-N 2.92Å; F737-F739 HydrophobicContact CB-CD1 3.79Å; F737-F739 HydrophobicContact CB-CE1 3.42Å; F737-F739 VanDerWaalsContact CB-CE1 3.42Å; F737-F739 HydrophobicContact CB-CZ 3.83Å; F737-F739 HydrophobicContact CD1-CE1 4.07Å; F737-F739 AromaticContact CG-CE1 3.99Å; F737-F739 HydrophobicContact CG-CE1 3.99Å; F737-F739 HydrophobicContact CG-CZ 4.23Å; F737-F739 VanDerWaalsContact O-CD1 3.32Å; F737-F739 WeakPolarHBondContact O-CD1 3.22Å; F737-F739 PolarHBondContact O-N 2.56Å
738	N	92.1	Very high	96.8	Very high	107 Å²	107	36.8 Å²	36.8	57%	0.572	18%	0.181	S	C	*	.	S	Bend	trans	54.8	13.8	172.9	-160.5	33	0	0	0	116.2	K657 A734	K657-N738 WeakPolarHBondContact CD-O 3.49Å; K657-N738 VanDerWaalsContact CE-O 3.27Å; K657-N738 WeakPolarHBondContact CE-O 3.48Å; K657-N738 VanDerWaalsContact NZ-C 3.27Å; K657-N738 PolarHBondContact NZ-O 2.89Å; K657-N738 PolarHBondContact NZ-OD1 2.86Å; A734-N738 PolarHBondContact O-N 2.83Å
739	F	94.6	Very high	96.8	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.026	17%	0.174	C	C	.	.			trans	-110.9	-4.5	172.4	61.7	-111.9	0	0	0	114	V646 K648 P649 L652 K657 H658 A694 F737	V646-F739 HydrophobicContact CG2-CE2 4.28Å; V646-F739 HydrophobicContact CG2-CZ 3.84Å; K648-F739 HydrophobicContact CB-CE1 4.32Å; K648-F739 HydrophobicContact CB-CZ 4.26Å; K648-F739 HydrophobicContact CD-CE1 4.17Å; K648-F739 HydrophobicContact CG-CE1 3.79Å; K648-F739 HydrophobicContact CG-CZ 3.81Å; P649-F739 HydrophobicContact CG-CD2 4.34Å; L652-F739 HydrophobicContact CD1-CB 3.69Å; L652-F739 HydrophobicContact CD1-CD1 4.13Å; L652-F739 HydrophobicContact CD1-CG 3.92Å; L652-F739 HydrophobicContact CD2-CB 4.37Å; L652-F739 HydrophobicContact CD2-CD1 3.78Å; L652-F739 HydrophobicContact CD2-CE1 4.49Å; L652-F739 HydrophobicContact CD2-CG 4.36Å; K657-F739 CarbonylContact C-O 3.59Å; K657-F739 WeakPolarHBondContact CA-O 3.46Å; H658-F739 PolarHBondContact N-O 3.25Å; A694-F739 HydrophobicContact CB-CD2 3.99Å; A694-F739 HydrophobicContact CB-CE2 3.72Å; F737-F739 HydrophobicContact CB-CD1 3.79Å; F737-F739 HydrophobicContact CB-CE1 3.42Å; F737-F739 VanDerWaalsContact CB-CE1 3.42Å; F737-F739 HydrophobicContact CB-CZ 3.83Å; F737-F739 HydrophobicContact CD1-CE1 4.07Å; F737-F739 AromaticContact CG-CE1 3.99Å; F737-F739 HydrophobicContact CG-CE1 3.99Å; F737-F739 HydrophobicContact CG-CZ 4.23Å; F737-F739 VanDerWaalsContact O-CD1 3.32Å; F737-F739 WeakPolarHBondContact O-CD1 3.22Å; F737-F739 PolarHBondContact O-N 2.56Å
740	V	96	Very high	96.9	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.03	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.5	-179.4	172.2	0	0	0	0	110.3	T660 A694 V733 A734 L742	T660-V740 HydrophobicContact CG2-CG1 4.32Å; T660-V740 WeakPolarHBondContact OG1-CG1 3.5Å; A694-V740 HydrophobicContact CB-CG2 4.48Å; V733-V740 HydrophobicContact CG1-CG2 3.73Å; A734-V740 HydrophobicContact CB-CB 3.89Å; A734-V740 HydrophobicContact CB-CG1 3.86Å; V740-L742 HydrophobicContact CG1-CD2 3.91Å; V740-L742 HydrophobicContact CG1-CG 4.31Å
741	D	96.1	Very high	96.9	Very high	14 Å²	14	38.6 Å²	38.6	8%	0.075	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	97.4	169.4	-168.7	-13.8	0	0	0	110.9	Q46 K657 H658 S743 R744	Q46-D741 PolarHBondContact NE2-OD2 3.23Å; K657-D741 HydrophobicContact CB-CB 3.92Å; H658-D741 WeakPolarHBondContact O-CB 3.24Å; H658-D741 PolarHBondContact O-N 3.43Å; D741-S743 PolarHBondContact O-N 3.21Å; D741-S743 VanDerWaalsContact O-N 3.13Å; D741-S743 WeakPolarHBondContact OD1-CB 3.46Å; D741-S743 PolarHBondContact OD1-N 2.87Å; D741-S743 PolarHBondContact OD1-OG 2.97Å; D741-S743 PolarHBondContact OD2-OG 3.04Å; D741-R744 CarbonylContact O-C 3.58Å; D741-R744 PolarHBondContact O-N 2.99Å; D741-R744 VanDerWaalsContact O-N 3.07Å; D741-R744 IonicContact OD2-CZ 3.83Å; D741-R744 VanDerWaalsContact OD2-CZ 3.27Å; D741-R744 IonicContact OD2-NE 3.8Å; D741-R744 PolarHBondContact OD2-NE 2.99Å; D741-R744 IonicContact OD2-NH2 3.08Å; D741-R744 PolarHBondContact OD2-NH2 2.78Å
742	L	96.1	Very high	96.9	Very high	66 Å²	66	34.8 Å²	34.8	35%	0.346	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	-11.9	178.3	-68	178.8	0	0	0	113.6	L730 A734 V740 R744 V745	L730-L742 HydrophobicContact CD2-CD2 3.97Å; L730-L742 HydrophobicContact CG-CD2 3.79Å; A734-L742 HydrophobicContact CB-CD1 3.8Å; A734-L742 HydrophobicContact CB-CD2 3.92Å; A734-L742 HydrophobicContact CB-CG 3.78Å; V740-L742 HydrophobicContact CG1-CD2 3.91Å; V740-L742 HydrophobicContact CG1-CG 4.31Å; L742-R744 VanDerWaalsContact C-N 3.33Å; L742-V745 HydrophobicContact CD2-CG2 4.5Å
743	S	96.6	Very high	97	Very high	56 Å²	56	31.7 Å²	31.7	39%	0.392	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-14.9	174.2	76.5	0	0	0	0	113.1	D741 K769	D741-S743 PolarHBondContact O-N 3.21Å; D741-S743 VanDerWaalsContact O-N 3.13Å; D741-S743 WeakPolarHBondContact OD1-CB 3.46Å; D741-S743 PolarHBondContact OD1-N 2.87Å; D741-S743 PolarHBondContact OD1-OG 2.97Å; D741-S743 PolarHBondContact OD2-OG 3.04Å; S743-K769 WeakPolarHBondContact O-CE 3.42Å; S743-K769 WeakPolarHBondContact O-CG 3.47Å
744	R	97.8	Very high	97	Very high	23 Å²	23	31.7 Å²	31.7	9%	0.087	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	74.5	-177.6	-68.2	-177.5	-66.7	152.2	2.2	110.8	F47 K657 P659 T660 D741 L742 L884	F47-R744 PolarHBondContact O-NH1 3.01Å; F47-R744 PolarHBondContact O-NH2 2.77Å; K657-R744 PolarHBondContact O-NH2 3.01Å; P659-R744 WeakPolarHBondContact CA-O 3.31Å; P659-R744 HydrophobicContact CB-CB 4.11Å; T660-R744 PolarHBondContact N-O 3.22Å; D741-R744 CarbonylContact O-C 3.58Å; D741-R744 PolarHBondContact O-N 2.99Å; D741-R744 VanDerWaalsContact O-N 3.07Å; D741-R744 IonicContact OD2-CZ 3.83Å; D741-R744 VanDerWaalsContact OD2-CZ 3.27Å; D741-R744 IonicContact OD2-NE 3.8Å; D741-R744 PolarHBondContact OD2-NE 2.99Å; D741-R744 IonicContact OD2-NH2 3.08Å; D741-R744 PolarHBondContact OD2-NH2 2.78Å; L742-R744 VanDerWaalsContact C-N 3.33Å; R744-L884 HydrophobicContact CB-CD1 4.22Å; R744-L884 HydrophobicContact CB-CG 4.32Å; R744-L884 WeakPolarHBondContact CD-O 3.43Å
745	V	98.8	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.2	179.6	-172.7	0	0	0	0	110.8	T660 L730 L742 F768 K769 L770	T660-V745 CarbonylContact O-C 3.52Å; T660-V745 VanDerWaalsContact O-CA 3.3Å; T660-V745 WeakPolarHBondContact O-CA 3.32Å; L730-V745 HydrophobicContact CD2-CB 4.42Å; L730-V745 HydrophobicContact CD2-CG1 3.67Å; L730-V745 HydrophobicContact CD2-CG2 3.99Å; L742-V745 HydrophobicContact CD2-CG2 4.5Å; V745-F768 HydrophobicContact CG1-CD1 3.8Å; V745-F768 HydrophobicContact CG1-CE1 3.99Å; V745-F768 CarbonylContact O-C 3.55Å; V745-K769 PolarHBondContact O-N 2.91Å; V745-L770 PolarHBondContact O-N 2.9Å
746	A	98.9	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144.5	166.5	0	0	0	0	0	110.5	T660 V661 L662 L770 L880 L884	T660-A746 PolarHBondContact O-N 2.89Å; V661-A746 CarbonylContact C-O 3.48Å; V661-A746 WeakPolarHBondContact CA-O 3.25Å; L662-A746 PolarHBondContact N-O 3.41Å; A746-L770 CarbonylContact C-O 3.58Å; A746-L770 VanDerWaalsContact CA-O 3.32Å; A746-L770 WeakPolarHBondContact CA-O 3.25Å; A746-L770 HydrophobicContact CB-CB 3.88Å; A746-L880 HydrophobicContact CB-CD2 3.66Å; A746-L884 HydrophobicContact CB-CD1 4.18Å; A746-L884 HydrophobicContact CB-CD2 3.72Å
747	I	98.9	Very high	97.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134	168.6	-171.7	168.5	0	0	0	109.8	L662 V664 I723 F768 L770 A771 I772	L662-I747 HydrophobicContact CD2-CD1 3.99Å; L662-I747 HydrophobicContact CD2-CG1 4.13Å; L662-I747 WeakPolarHBondContact O-CA 3.46Å; V664-I747 HydrophobicContact CG1-CD1 4.04Å; V664-I747 HydrophobicContact CG1-CG1 3.83Å; I723-I747 HydrophobicContact CD1-CD1 4.28Å; I747-F768 HydrophobicContact CB-CD1 3.67Å; I747-F768 HydrophobicContact CB-CE1 3.94Å; I747-F768 HydrophobicContact CB-CG 4.24Å; I747-F768 HydrophobicContact CD1-CE1 4.13Å; I747-F768 HydrophobicContact CD1-CZ 4.11Å; I747-F768 HydrophobicContact CG1-CE1 4.45Å; I747-F768 HydrophobicContact CG2-CB 4.19Å; I747-F768 HydrophobicContact CG2-CD1 3.99Å; I747-F768 HydrophobicContact CG2-CG 4.05Å; I747-L770 PolarHBondContact N-O 3.49Å; I747-A771 HydrophobicContact CG2-CB 3.75Å; I747-A771 WeakPolarHBondContact O-CA 3.48Å; I747-I772 PolarHBondContact O-N 3.02Å
748	H	98.9	Very high	97.8	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.009	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	133.4	-179.7	173.6	42.9	0	0	0	112	L662 F663 V664 W750 S757 I772 Y872	L662-H748 PolarHBondContact O-N 2.96Å; F663-H748 CarbonylContact C-O 3.52Å; F663-H748 VanDerWaalsContact CA-O 3.29Å; F663-H748 WeakPolarHBondContact CA-O 3.4Å; F663-H748 AromaticContact CD2-CD2 3.97Å; F663-H748 WeakPolarHBondContact CD2-O 3.38Å; V664-H748 PolarHBondContact N-O 3.01Å; H748-W750 AromaticContact CE1-CD1 3.8Å; H748-W750 AromaticContact CE1-NE1 3.67Å; H748-W750 AromaticContact NE2-NE1 3.89Å; H748-S757 WeakPolarHBondContact CA-OG 3.25Å; H748-I772 WeakPolarHBondContact CA-O 3.43Å; H748-I772 HydrophobicContact CB-CB 4.15Å; H748-I772 HydrophobicContact CB-CD1 4.34Å; H748-I772 PolarHBondContact ND1-O 2.82Å; H748-Y872 AromaticContact NE2-CZ 3.84Å; H748-Y872 PolarHBondContact NE2-OH 3.18Å
749	G	98.6	Very high	98.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	172.7	171.3	0	0	0	0	0	112.5	V664 G753 G754 S757 I772 G774	V664-G749 VanDerWaalsContact O-CA 3.27Å; V664-G749 WeakPolarHBondContact O-CA 3.29Å; G749-G753 VanDerWaalsContact C-C 3.49Å; G749-G754 VanDerWaalsContact C-N 3.33Å; G749-G754 WeakPolarHBondContact O-CA 3.34Å; G749-G754 PolarHBondContact O-N 2.88Å; G749-S757 PolarHBondContact N-OG 3.2Å; G749-I772 PolarHBondContact N-O 2.95Å; G749-G774 PolarHBondContact O-N 2.78Å
750	W	98.8	Very high	98.3	Very high	47 Å²	47	11.6 Å²	11.6	18%	0.178	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.8	175.1	-80.3	88.9	0	0	0	110.5	H748 Y752 G753 G774 A775 L824 Y856 I863 Y872	H748-W750 AromaticContact CE1-CD1 3.8Å; H748-W750 AromaticContact CE1-NE1 3.67Å; H748-W750 AromaticContact NE2-NE1 3.89Å; W750-Y752 PolarHBondContact O-N 3.07Å; W750-G753 WeakPolarHBondContact O-CA 3.3Å; W750-G753 PolarHBondContact O-N 2.99Å; W750-G774 CarbonylContact C-O 3.45Å; W750-G774 VanDerWaalsContact CA-O 3.26Å; W750-G774 WeakPolarHBondContact CA-O 3.32Å; W750-A775 HydrophobicContact CE3-CB 3.97Å; W750-A775 HydrophobicContact CZ3-CB 4.13Å; W750-L824 HydrophobicContact CH2-CB 4Å; W750-L824 HydrophobicContact CH2-CD1 4.5Å; W750-L824 HydrophobicContact CZ2-CB 4.29Å; W750-L824 HydrophobicContact CZ2-CD1 3.98Å; W750-Y856 HydrophobicContact CH2-CD2 4.5Å; W750-Y856 HydrophobicContact CH2-CE2 4.22Å; W750-I863 HydrophobicContact CH2-CD1 3.81Å; W750-I863 HydrophobicContact CH2-CG1 4.5Å; W750-I863 HydrophobicContact CZ2-CD1 3.81Å; W750-Y872 AromaticContact CE2-CE2 3.98Å; W750-Y872 AromaticContact CZ2-CD2 3.81Å; W750-Y872 HydrophobicContact CZ2-CD2 3.81Å; W750-Y872 AromaticContact CZ2-CE2 3.74Å; W750-Y872 HydrophobicContact CZ2-CE2 3.74Å; W750-Y872 HydrophobicContact CZ2-CG 4.27Å; W750-Y872 AromaticContact NE1-CE2 3.58Å; W750-Y872 AromaticContact NE1-CZ 3.32Å; W750-Y872 VanDerWaalsContact NE1-CZ 3.32Å; W750-Y872 PolarHBondContact NE1-OH 3.26Å; W750-Y872 VanDerWaalsContact NE1-OH 3.12Å
751	S	98.4	Very high	98.4	Very high	22 Å²	22	11.3 Å²	11.3	15%	0.154	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-122.3	-178.4	-169.8	0	0	0	0	110.5	G753 G754 F755 G774 A775 H861	S751-G753 PolarHBondContact O-N 2.84Å; S751-G754 WeakPolarHBondContact O-CA 3.41Å; S751-G754 PolarHBondContact O-N 2.89Å; S751-F755 PolarHBondContact O-N 2.86Å; S751-G774 PolarHBondContact N-O 2.98Å; S751-A775 VanDerWaalsContact CA-O 3.31Å; S751-A775 WeakPolarHBondContact CA-O 3.31Å; S751-H861 WeakPolarHBondContact CB-NE2 3.05Å; S751-H861 PolarHBondContact OG-NE2 3.04Å; S751-H861 VanDerWaalsContact OG-NE2 3.11Å
752	Y	98.9	Very high	98.5	Very high	5 Å²	5	11.3 Å²	11.3	2%	0.02	6%	0.061	C	C	.	.	H	α-helix	trans	-53.2	-36	171.7	-156.7	-81	0	0	0	112.8	Y665 M718 E722 W750 G754 F755 L756 W780 Y787	Y665-Y752 WeakPolarHBondContact O-CD1 3.36Å; M718-Y752 VanDerWaalsContact CB-OH 3.32Å; M718-Y752 WeakPolarHBondContact CB-OH 3.42Å; M718-Y752 HydrophobicContact CE-CE2 3.74Å; M718-Y752 HydrophobicContact CG-CE2 4.38Å; M718-Y752 VanDerWaalsContact CG-OH 3.29Å; M718-Y752 WeakPolarHBondContact CG-OH 3.46Å; M718-Y752 HydrophobicContact SD-CE2 3.87Å; E722-Y752 PolarHBondContact OE1-OH 2.79Å; W750-Y752 PolarHBondContact O-N 3.07Å; Y752-G754 VanDerWaalsContact C-N 3.3Å; Y752-G754 PolarHBondContact O-N 2.95Å; Y752-F755 HydrophobicContact CD1-CD1 4.02Å; Y752-F755 HydrophobicContact CD2-CD1 4.28Å; Y752-F755 AromaticContact CE1-CD1 3.85Å; Y752-F755 HydrophobicContact CE1-CD1 3.85Å; Y752-F755 AromaticContact CE1-CE1 3.99Å; Y752-F755 HydrophobicContact CE1-CE1 3.99Å; Y752-F755 HydrophobicContact CE2-CD1 4.1Å; Y752-F755 HydrophobicContact CE2-CE1 4.18Å; Y752-F755 HydrophobicContact CG-CD1 4.26Å; Y752-F755 AromaticContact CZ-CD1 3.9Å; Y752-F755 AromaticContact CZ-CE1 3.76Å; Y752-F755 VanDerWaalsContact O-CB 3.29Å; Y752-F755 WeakPolarHBondContact O-CB 3.5Å; Y752-F755 PolarHBondContact O-N 2.78Å; Y752-L756 HydrophobicContact CD1-CD1 4Å; Y752-L756 HydrophobicContact CD1-CD2 4.48Å; Y752-L756 HydrophobicContact CD1-CG 3.83Å; Y752-L756 HydrophobicContact CE1-CD1 3.89Å; Y752-L756 HydrophobicContact CE1-CD2 3.93Å; Y752-L756 HydrophobicContact CE1-CG 3.75Å; Y752-L756 PolarHBondContact O-N 3.08Å; Y752-W780 HydrophobicContact CD2-CH2 4.07Å; Y752-W780 AromaticContact CE2-CH2 3.8Å; Y752-W780 HydrophobicContact CE2-CH2 3.8Å; Y752-W780 AromaticContact CE2-CZ2 4Å; Y752-W780 HydrophobicContact CE2-CZ2 4Å; Y752-Y787 WeakPolarHBondContact CD2-OH 3.47Å
753	G	98.8	Very high	98.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66.7	-30	174.3	0	0	0	0	0	113.6	V664 Y665 G749 W750 S751 S757	V664-G753 WeakPolarHBondContact CG1-O 3.42Å; V664-G753 WeakPolarHBondContact O-CA 3.22Å; Y665-G753 WeakPolarHBondContact O-CA 3.23Å; Y665-G753 PolarHBondContact O-N 2.77Å; G749-G753 VanDerWaalsContact C-C 3.49Å; W750-G753 WeakPolarHBondContact O-CA 3.3Å; W750-G753 PolarHBondContact O-N 2.99Å; S751-G753 PolarHBondContact O-N 2.84Å; G753-S757 WeakPolarHBondContact O-CB 3.43Å; G753-S757 PolarHBondContact O-N 3.13Å; G753-S757 PolarHBondContact O-OG 2.71Å
754	G	98.8	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-69.8	-42.1	172.1	0	0	0	0	0	111.2	G749 S751 Y752 S757 L758 A773	G749-G754 VanDerWaalsContact C-N 3.33Å; G749-G754 WeakPolarHBondContact O-CA 3.34Å; G749-G754 PolarHBondContact O-N 2.88Å; S751-G754 WeakPolarHBondContact O-CA 3.41Å; S751-G754 PolarHBondContact O-N 2.89Å; Y752-G754 VanDerWaalsContact C-N 3.3Å; Y752-G754 PolarHBondContact O-N 2.95Å; G754-S757 WeakPolarHBondContact O-CB 3.32Å; G754-S757 PolarHBondContact O-N 2.91Å; G754-L758 PolarHBondContact O-N 2.78Å; G754-L758 VanDerWaalsContact O-N 3.15Å; G754-A773 WeakPolarHBondContact O-CB 3.33Å
755	F	98.9	Very high	98.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-56.1	-49.9	170.1	158.5	-114.2	0	0	0	111.7	G719 S751 Y752 S757 L758 M759 V777 W780 G805 V807	G719-F755 VanDerWaalsContact CA-CZ 3.44Å; S751-F755 PolarHBondContact O-N 2.86Å; Y752-F755 HydrophobicContact CD1-CD1 4.02Å; Y752-F755 HydrophobicContact CD2-CD1 4.28Å; Y752-F755 AromaticContact CE1-CD1 3.85Å; Y752-F755 HydrophobicContact CE1-CD1 3.85Å; Y752-F755 AromaticContact CE1-CE1 3.99Å; Y752-F755 HydrophobicContact CE1-CE1 3.99Å; Y752-F755 HydrophobicContact CE2-CD1 4.1Å; Y752-F755 HydrophobicContact CE2-CE1 4.18Å; Y752-F755 HydrophobicContact CG-CD1 4.26Å; Y752-F755 AromaticContact CZ-CD1 3.9Å; Y752-F755 AromaticContact CZ-CE1 3.76Å; Y752-F755 VanDerWaalsContact O-CB 3.29Å; Y752-F755 WeakPolarHBondContact O-CB 3.5Å; Y752-F755 PolarHBondContact O-N 2.78Å; F755-S757 VanDerWaalsContact C-N 3.31Å; F755-S757 PolarHBondContact O-N 2.69Å; F755-L758 WeakPolarHBondContact O-CB 3.44Å; F755-L758 PolarHBondContact O-N 3.21Å; F755-L758 VanDerWaalsContact O-N 3.17Å; F755-M759 HydrophobicContact CD2-CG 4.13Å; F755-M759 HydrophobicContact CE2-CE 3.52Å; F755-M759 HydrophobicContact CE2-CG 3.58Å; F755-M759 HydrophobicContact CE2-SD 4.31Å; F755-M759 HydrophobicContact CZ-CE 3.73Å; F755-M759 HydrophobicContact CZ-CG 3.87Å; F755-M759 PolarHBondContact O-N 2.95Å; F755-V777 WeakPolarHBondContact CD2-O 3.19Å; F755-W780 HydrophobicContact CD1-CZ2 4.1Å; F755-W780 AromaticContact CE1-CZ2 3.85Å; F755-W780 HydrophobicContact CE1-CZ2 3.85Å; F755-W780 HydrophobicContact CE2-CZ2 4.48Å; F755-W780 HydrophobicContact CG-CZ2 4.47Å; F755-W780 HydrophobicContact CZ-CZ2 4.02Å; F755-W780 AromaticContact CZ-NE1 3.87Å; F755-G805 WeakPolarHBondContact CE2-O 3.45Å; F755-V807 HydrophobicContact CD2-CG1 4.07Å; F755-V807 HydrophobicContact CE2-CG1 4.05Å
756	L	98.9	Very high	98.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.1	-30.3	176.3	-69.8	-170.1	0	0	0	113.3	V664 Y665 E722 I723 Y752 L758 M759 G760	V664-L756 HydrophobicContact CG1-CB 4.2Å; V664-L756 HydrophobicContact CG2-CB 4.36Å; V664-L756 HydrophobicContact CG2-CD1 3.85Å; Y665-L756 WeakPolarHBondContact O-CD1 3.42Å; E722-L756 HydrophobicContact CB-CD1 3.69Å; E722-L756 HydrophobicContact CB-CD2 3.82Å; E722-L756 HydrophobicContact CB-CG 4.44Å; E722-L756 HydrophobicContact CG-CD1 4.04Å; E722-L756 HydrophobicContact CG-CD2 4.08Å; I723-L756 HydrophobicContact CD1-CB 4.22Å; I723-L756 HydrophobicContact CD1-CD2 4.37Å; I723-L756 WeakPolarHBondContact CD1-O 3.23Å; Y752-L756 HydrophobicContact CD1-CD1 4Å; Y752-L756 HydrophobicContact CD1-CD2 4.48Å; Y752-L756 HydrophobicContact CD1-CG 3.83Å; Y752-L756 HydrophobicContact CE1-CD1 3.89Å; Y752-L756 HydrophobicContact CE1-CD2 3.93Å; Y752-L756 HydrophobicContact CE1-CG 3.75Å; Y752-L756 PolarHBondContact O-N 3.08Å; L756-L758 VanDerWaalsContact C-N 3.31Å; L756-L758 PolarHBondContact O-N 2.6Å; L756-M759 PolarHBondContact O-N 3.37Å; L756-G760 PolarHBondContact O-N 2.95Å
757	S	98.9	Very high	98.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.4	-40.4	173.5	-61	0	0	0	0	111.4	H748 G749 G753 G754 F755 L761 A771	H748-S757 WeakPolarHBondContact CA-OG 3.25Å; G749-S757 PolarHBondContact N-OG 3.2Å; G753-S757 WeakPolarHBondContact O-CB 3.43Å; G753-S757 PolarHBondContact O-N 3.13Å; G753-S757 PolarHBondContact O-OG 2.71Å; G754-S757 WeakPolarHBondContact O-CB 3.32Å; G754-S757 PolarHBondContact O-N 2.91Å; F755-S757 VanDerWaalsContact C-N 3.31Å; F755-S757 PolarHBondContact O-N 2.69Å; S757-L761 PolarHBondContact O-N 2.73Å; S757-A771 VanDerWaalsContact O-CB 3.3Å; S757-A771 WeakPolarHBondContact O-CB 3.11Å
758	L	98.9	Very high	98.5	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-67.9	-46.2	173.5	-66.8	173.7	0	0	0	111.7	G754 F755 L756 G760 L761 I762 A773 P776 T778 V807 L821 L840	G754-L758 PolarHBondContact O-N 2.78Å; G754-L758 VanDerWaalsContact O-N 3.15Å; F755-L758 WeakPolarHBondContact O-CB 3.44Å; F755-L758 PolarHBondContact O-N 3.21Å; F755-L758 VanDerWaalsContact O-N 3.17Å; L756-L758 VanDerWaalsContact C-N 3.31Å; L756-L758 PolarHBondContact O-N 2.6Å; L758-G760 VanDerWaalsContact C-N 3.32Å; L758-G760 PolarHBondContact O-N 3.47Å; L758-L761 PolarHBondContact O-N 2.85Å; L758-I762 WeakPolarHBondContact O-CG1 3.32Å; L758-I762 PolarHBondContact O-N 3.26Å; L758-A773 HydrophobicContact CD1-CB 4.27Å; L758-A773 HydrophobicContact CD2-CB 3.92Å; L758-A773 HydrophobicContact CG-CB 3.72Å; L758-P776 HydrophobicContact CD1-CB 3.72Å; L758-P776 HydrophobicContact CD1-CG 3.89Å; L758-T778 HydrophobicContact CD1-CG2 4.2Å; L758-V807 HydrophobicContact CB-CB 4.28Å; L758-V807 HydrophobicContact CB-CG1 3.92Å; L758-V807 HydrophobicContact CB-CG2 4.32Å; L758-V807 HydrophobicContact CD1-CG2 3.69Å; L758-L821 HydrophobicContact CD2-CD1 3.52Å; L758-L821 HydrophobicContact CD2-CD2 4.36Å; L758-L840 HydrophobicContact CD1-CD2 3.68Å; L758-L840 HydrophobicContact CD2-CD2 4.31Å
759	M	98.8	Very high	98.5	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-59.1	-42.2	176.5	-76.5	-61.6	-156.1	0	0	112.3	I723 F755 L756 L761 I762 Q763 E804 G805 V807	I723-M759 HydrophobicContact CD1-CB 4.42Å; I723-M759 HydrophobicContact CG1-CB 4.09Å; F755-M759 HydrophobicContact CD2-CG 4.13Å; F755-M759 HydrophobicContact CE2-CE 3.52Å; F755-M759 HydrophobicContact CE2-CG 3.58Å; F755-M759 HydrophobicContact CE2-SD 4.31Å; F755-M759 HydrophobicContact CZ-CE 3.73Å; F755-M759 HydrophobicContact CZ-CG 3.87Å; F755-M759 PolarHBondContact O-N 2.95Å; L756-M759 PolarHBondContact O-N 3.37Å; M759-L761 VanDerWaalsContact C-N 3.33Å; M759-L761 PolarHBondContact O-N 2.92Å; M759-I762 PolarHBondContact O-N 2.88Å; M759-Q763 WeakPolarHBondContact O-CB 3.34Å; M759-Q763 VanDerWaalsContact O-CG 3.32Å; M759-Q763 WeakPolarHBondContact O-CG 3.34Å; M759-Q763 PolarHBondContact O-N 3.4Å; M759-E804 WeakPolarHBondContact CE-O 3.44Å; M759-G805 VanDerWaalsContact CE-CA 3.5Å; M759-V807 HydrophobicContact CE-CG1 4.04Å; M759-V807 HydrophobicContact CG-CG1 3.85Å; M759-V807 HydrophobicContact SD-CG1 3.65Å
760	G	98.7	Very high	98.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.8	-45.2	175.6	0	0	0	0	0	112.1	L756 L758 R764 F768	L756-G760 PolarHBondContact O-N 2.95Å; L758-G760 VanDerWaalsContact C-N 3.32Å; L758-G760 PolarHBondContact O-N 3.47Å; G760-R764 CarbonylContact O-C 3.56Å; G760-R764 WeakPolarHBondContact O-CA 3.48Å; G760-R764 PolarHBondContact O-N 3.04Å; G760-F768 WeakPolarHBondContact O-CD2 3.46Å
761	L	98.6	Very high	98.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.6	-34.5	178.2	-164.7	64.9	0	0	0	112.9	S757 L758 M759 P765 F768 A771 L814 P815 L821	S757-L761 PolarHBondContact O-N 2.73Å; L758-L761 PolarHBondContact O-N 2.85Å; M759-L761 VanDerWaalsContact C-N 3.33Å; M759-L761 PolarHBondContact O-N 2.92Å; L761-P765 WeakPolarHBondContact O-CB 3.33Å; L761-P765 WeakPolarHBondContact O-CD 3.47Å; L761-F768 WeakPolarHBondContact CD1-O 3.23Å; L761-A771 HydrophobicContact CB-CB 3.88Å; L761-A771 HydrophobicContact CD1-CB 4.47Å; L761-A771 HydrophobicContact CD2-CB 3.94Å; L761-A771 HydrophobicContact CG-CB 4.31Å; L761-L814 HydrophobicContact CD2-CD2 4.12Å; L761-L814 HydrophobicContact CG-CD2 4.47Å; L761-P815 HydrophobicContact CD1-CG 3.92Å; L761-P815 HydrophobicContact CD2-CG 4.1Å; L761-P815 HydrophobicContact CG-CG 3.86Å; L761-L821 HydrophobicContact CD2-CB 4.06Å; L761-L821 HydrophobicContact CD2-CD1 4.35Å
762	I	98.6	Very high	98.5	Very high	14 Å²	14	19.3 Å²	19.3	7%	0.072	9%	0.094	C	C	.	.	H	α-helix	trans	-71	-48.8	177.3	-74.8	168	0	0	0	111.4	L758 M759 V807 H810 K813 L814	L758-I762 WeakPolarHBondContact O-CG1 3.32Å; L758-I762 PolarHBondContact O-N 3.26Å; M759-I762 PolarHBondContact O-N 2.88Å; I762-V807 HydrophobicContact CD1-CB 3.75Å; I762-V807 HydrophobicContact CD1-CG1 3.97Å; I762-H810 HydrophobicContact CD1-CB 4.32Å; I762-H810 HydrophobicContact CG2-CB 4.26Å; I762-K813 HydrophobicContact CG2-CB 3.93Å; I762-K813 HydrophobicContact CG2-CD 4.02Å; I762-L814 HydrophobicContact CD1-CD2 4.27Å; I762-L814 HydrophobicContact CG1-CD2 3.64Å; I762-L814 HydrophobicContact CG1-CG 4.09Å
763	Q	98.4	Very high	98.5	Very high	71 Å²	71	19.1 Å²	19.1	33%	0.332	9%	0.093	S	C	.	.	H	α-helix	trans	-84.9	-34.7	-171	-64.7	173.3	10.6	0	0	112.5	G719 M759 P765	G719-Q763 PolarHBondContact O-NE2 2.85Å; M759-Q763 WeakPolarHBondContact O-CB 3.34Å; M759-Q763 VanDerWaalsContact O-CG 3.32Å; M759-Q763 WeakPolarHBondContact O-CG 3.34Å; M759-Q763 PolarHBondContact O-N 3.4Å; Q763-P765 VanDerWaalsContact C-CD 3.41Å
764	R	98.3	Very high	98.5	Very high	72 Å²	72	19.1 Å²	19.1	27%	0.272	9%	0.093	S	C	.	.			trans	-132	54	-173.5	-56.2	-63.3	-74.7	-88.6	3.5	112.3	I723 V727 G760 N766 I767 F768	I723-R764 HydrophobicContact CG2-CB 4.5Å; I723-R764 HydrophobicContact CG2-CG 3.81Å; V727-R764 HydrophobicContact CG2-CG 4.35Å; G760-R764 CarbonylContact O-C 3.56Å; G760-R764 WeakPolarHBondContact O-CA 3.48Å; G760-R764 PolarHBondContact O-N 3.04Å; R764-N766 WeakPolarHBondContact CA-OD1 3.34Å; R764-N766 PolarHBondContact O-N 2.86Å; R764-N766 VanDerWaalsContact O-N 3.09Å; R764-I767 HydrophobicContact CB-CB 4.26Å; R764-I767 HydrophobicContact CB-CG1 4.28Å; R764-I767 PolarHBondContact O-N 2.83Å; R764-F768 HydrophobicContact CB-CD2 3.95Å; R764-F768 HydrophobicContact CB-CE2 4.07Å; R764-F768 PolarHBondContact O-N 2.79Å
765	P	97.6	Very high	98.5	Very high	42 Å²	42	19.1 Å²	19.1	27%	0.273	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17	178	27.3	-35.3	0	0	0	113.1	L761 Q763 P815 R820	L761-P765 WeakPolarHBondContact O-CB 3.33Å; L761-P765 WeakPolarHBondContact O-CD 3.47Å; Q763-P765 VanDerWaalsContact C-CD 3.41Å; P765-P815 HydrophobicContact CB-CG 4.45Å; P765-R820 PolarHBondContact O-NH2 2.75Å
766	N	96.5	Very high	98.5	Very high	98 Å²	98	19.1 Å²	19.1	52%	0.524	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-33.6	173.1	61.1	-40.8	0	0	0	112.4	R764 K769	R764-N766 WeakPolarHBondContact CA-OD1 3.34Å; R764-N766 PolarHBondContact O-N 2.86Å; R764-N766 VanDerWaalsContact O-N 3.09Å; N766-K769 PolarHBondContact O-NZ 2.87Å
767	I	97.9	Very high	98.5	Very high	25 Å²	25	19.3 Å²	19.3	13%	0.128	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-57.6	178.7	-57.1	-59.8	0	0	0	110.4	V727 L730 R764 K769	V727-I767 HydrophobicContact CG1-CG1 4.43Å; V727-I767 HydrophobicContact CG2-CG2 4.43Å; L730-I767 HydrophobicContact CD2-CG2 4.1Å; R764-I767 HydrophobicContact CB-CB 4.26Å; R764-I767 HydrophobicContact CB-CG1 4.28Å; R764-I767 PolarHBondContact O-N 2.83Å; I767-K769 PolarHBondContact O-N 2.86Å
768	F	98.6	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	108.6	-174	-58.8	-69.3	0	0	0	110.9	L662 I723 V727 V745 I747 G760 L761 R764 R820	L662-F768 HydrophobicContact CB-CE1 4.46Å; L662-F768 HydrophobicContact CD2-CE1 3.63Å; L662-F768 HydrophobicContact CD2-CZ 3.87Å; I723-F768 HydrophobicContact CG2-CE2 4.1Å; V727-F768 HydrophobicContact CG2-CE2 3.92Å; V727-F768 HydrophobicContact CG2-CZ 3.97Å; V745-F768 HydrophobicContact CG1-CD1 3.8Å; V745-F768 HydrophobicContact CG1-CE1 3.99Å; V745-F768 CarbonylContact O-C 3.55Å; I747-F768 HydrophobicContact CB-CD1 3.67Å; I747-F768 HydrophobicContact CB-CE1 3.94Å; I747-F768 HydrophobicContact CB-CG 4.24Å; I747-F768 HydrophobicContact CD1-CE1 4.13Å; I747-F768 HydrophobicContact CD1-CZ 4.11Å; I747-F768 HydrophobicContact CG1-CE1 4.45Å; I747-F768 HydrophobicContact CG2-CB 4.19Å; I747-F768 HydrophobicContact CG2-CD1 3.99Å; I747-F768 HydrophobicContact CG2-CG 4.05Å; G760-F768 WeakPolarHBondContact O-CD2 3.46Å; L761-F768 WeakPolarHBondContact CD1-O 3.23Å; R764-F768 HydrophobicContact CB-CD2 3.95Å; R764-F768 HydrophobicContact CB-CE2 4.07Å; R764-F768 PolarHBondContact O-N 2.79Å; F768-R820 PolarHBondContact O-NH2 3.5Å
769	K	98.4	Very high	98.5	Very high	73 Å²	73	20 Å²	20	32%	0.317	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-40.7	177.2	-58.8	-47.3	-179	-164.9	0	111.6	S743 V745 N766 I767 R820 L884	S743-K769 WeakPolarHBondContact O-CE 3.42Å; S743-K769 WeakPolarHBondContact O-CG 3.47Å; V745-K769 PolarHBondContact O-N 2.91Å; N766-K769 PolarHBondContact O-NZ 2.87Å; I767-K769 PolarHBondContact O-N 2.86Å; K769-R820 WeakPolarHBondContact O-CG 3.45Å; K769-R820 PolarHBondContact O-NE 2.64Å; K769-L884 HydrophobicContact CB-CD1 4.16Å
770	L	98.6	Very high	98.5	Very high	3 Å²	3	20 Å²	20	2%	0.016	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.9	177.9	-53.7	-175.3	0	0	0	111.3	V745 A746 I747 N819 R820 F879 L880 L884	V745-L770 PolarHBondContact O-N 2.9Å; A746-L770 CarbonylContact C-O 3.58Å; A746-L770 VanDerWaalsContact CA-O 3.32Å; A746-L770 WeakPolarHBondContact CA-O 3.25Å; A746-L770 HydrophobicContact CB-CB 3.88Å; I747-L770 PolarHBondContact N-O 3.49Å; L770-N819 WeakPolarHBondContact CD2-O 3.45Å; L770-R820 CarbonylContact C-O 3.2Å; L770-R820 WeakPolarHBondContact CA-O 3.34Å; L770-F879 HydrophobicContact CB-CE1 4.26Å; L770-F879 HydrophobicContact CD1-CD1 4.14Å; L770-F879 HydrophobicContact CD1-CE1 3.86Å; L770-F879 HydrophobicContact CD2-CE1 4.25Å; L770-F879 HydrophobicContact CG-CE1 4.37Å; L770-L880 HydrophobicContact CD1-CD2 4.38Å; L770-L884 HydrophobicContact CD1-CB 3.69Å; L770-L884 HydrophobicContact CD1-CD1 4.12Å; L770-L884 HydrophobicContact CD1-CG 4.44Å; L770-L884 HydrophobicContact CG-CB 4.47Å; L770-L884 HydrophobicContact CG-CD1 4.04Å
771	A	98.9	Very high	98.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.3	162.9	0	0	0	0	0	111.1	I747 S757 L761 R820 L821 L822	I747-A771 HydrophobicContact CG2-CB 3.75Å; I747-A771 WeakPolarHBondContact O-CA 3.48Å; S757-A771 VanDerWaalsContact O-CB 3.3Å; S757-A771 WeakPolarHBondContact O-CB 3.11Å; L761-A771 HydrophobicContact CB-CB 3.88Å; L761-A771 HydrophobicContact CD1-CB 4.47Å; L761-A771 HydrophobicContact CD2-CB 3.94Å; L761-A771 HydrophobicContact CG-CB 4.31Å; A771-R820 PolarHBondContact N-O 3.41Å; A771-L821 HydrophobicContact CB-CD1 4.42Å; A771-L822 PolarHBondContact O-N 2.92Å
772	I	98.9	Very high	98.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	101.6	172.6	-58.2	125.9	0	0	0	108.2	I747 H748 G749 L822 L824 L876 F879 L880	I747-I772 PolarHBondContact O-N 3.02Å; H748-I772 WeakPolarHBondContact CA-O 3.43Å; H748-I772 HydrophobicContact CB-CB 4.15Å; H748-I772 HydrophobicContact CB-CD1 4.34Å; H748-I772 PolarHBondContact ND1-O 2.82Å; G749-I772 PolarHBondContact N-O 2.95Å; I772-L822 CarbonylContact C-O 3.58Å; I772-L822 WeakPolarHBondContact CA-O 3.13Å; I772-L822 HydrophobicContact CG1-CB 4.16Å; I772-L822 HydrophobicContact CG1-CD2 4.33Å; I772-L822 HydrophobicContact CG2-CB 4.41Å; I772-L822 HydrophobicContact CG2-CD2 4.06Å; I772-L822 HydrophobicContact CG2-CG 4.29Å; I772-L824 HydrophobicContact CG2-CD1 3.74Å; I772-L824 HydrophobicContact CG2-CG 4.21Å; I772-L876 HydrophobicContact CB-CD1 4.49Å; I772-L876 HydrophobicContact CD1-CD1 3.64Å; I772-L876 HydrophobicContact CG1-CD1 4.28Å; I772-L876 HydrophobicContact CG2-CD1 4.22Å; I772-F879 HydrophobicContact CD1-CD1 4.06Å; I772-F879 HydrophobicContact CD1-CE1 4.46Å; I772-F879 HydrophobicContact CG1-CD1 3.81Å; I772-F879 HydrophobicContact CG1-CE1 4.01Å; I772-L880 HydrophobicContact CD1-CD2 3.82Å; I772-L880 HydrophobicContact CD1-CG 4.21Å
773	A	98.9	Very high	98.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	108.8	-173.4	0	0	0	0	0	111.3	G754 L758 P776 L822 I823 L824	G754-A773 WeakPolarHBondContact O-CB 3.33Å; L758-A773 HydrophobicContact CD1-CB 4.27Å; L758-A773 HydrophobicContact CD2-CB 3.92Å; L758-A773 HydrophobicContact CG-CB 3.72Å; A773-P776 HydrophobicContact CB-CB 4.43Å; A773-P776 HydrophobicContact CB-CG 4.3Å; A773-L822 PolarHBondContact N-O 2.84Å; A773-I823 WeakPolarHBondContact O-CA 3.49Å; A773-L824 PolarHBondContact O-N 2.94Å
774	G	98.8	Very high	98.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.8	175.2	0	0	0	0	0	113.2	G749 W750 S751 P776 L824	G749-G774 PolarHBondContact O-N 2.78Å; W750-G774 CarbonylContact C-O 3.45Å; W750-G774 VanDerWaalsContact CA-O 3.26Å; W750-G774 WeakPolarHBondContact CA-O 3.32Å; S751-G774 PolarHBondContact N-O 2.98Å; G774-P776 VanDerWaalsContact C-CD 3.47Å; G774-P776 VanDerWaalsContact C-N 3.34Å; G774-L824 CarbonylContact C-O 3.57Å; G774-L824 WeakPolarHBondContact CA-O 3.25Å
775	A	98.6	Very high	98.4	Very high	1 Å²	1	18 Å²	18	1%	0.008	10%	0.095	C	C	.	.	S	Bend	trans	39.4	53.4	-178.9	0	0	0	0	0	113.9	W750 S751 L824	W750-A775 HydrophobicContact CE3-CB 3.97Å; W750-A775 HydrophobicContact CZ3-CB 4.13Å; S751-A775 VanDerWaalsContact CA-O 3.31Å; S751-A775 WeakPolarHBondContact CA-O 3.31Å; A775-L824 PolarHBondContact N-O 3.33Å
776	P	98.8	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.			trans	-75.2	140.4	-173.1	31.3	-34.9	0	0	0	111.7	L758 A773 G774 T778 H836	L758-P776 HydrophobicContact CD1-CB 3.72Å; L758-P776 HydrophobicContact CD1-CG 3.89Å; A773-P776 HydrophobicContact CB-CB 4.43Å; A773-P776 HydrophobicContact CB-CG 4.3Å; G774-P776 VanDerWaalsContact C-CD 3.47Å; G774-P776 VanDerWaalsContact C-N 3.34Å; P776-T778 HydrophobicContact CB-CG2 4.25Å; P776-T778 HydrophobicContact CG-CG2 4Å; P776-T778 PolarHBondContact O-N 3.18Å; P776-H836 WeakPolarHBondContact O-CB 3.47Å
777	V	98.8	Very high	98.6	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.024	6%	0.06	C	C	.	.			trans	-70.9	121.3	158.6	179.3	0	0	0	0	107.7	F755 W780 Y783 V832	F755-V777 WeakPolarHBondContact CD2-O 3.19Å; V777-W780 HydrophobicContact CB-CH2 4.35Å; V777-W780 HydrophobicContact CB-CZ3 4.41Å; V777-W780 HydrophobicContact CG1-CD2 3.95Å; V777-W780 HydrophobicContact CG1-CE3 3.77Å; V777-W780 HydrophobicContact CG1-CH2 4.2Å; V777-W780 HydrophobicContact CG1-CZ2 4.37Å; V777-W780 HydrophobicContact CG1-CZ3 3.9Å; V777-W780 HydrophobicContact CG2-CH2 4.5Å; V777-W780 HydrophobicContact CG2-CZ3 4.38Å; V777-Y783 HydrophobicContact CG2-CD2 4.09Å; V777-Y783 HydrophobicContact CG2-CE2 4.21Å; V777-Y783 HydrophobicContact CG2-CG 4.44Å; V777-V832 HydrophobicContact CG2-CG1 4.1Å; V777-V832 HydrophobicContact CG2-CG2 3.95Å
778	T	98.8	Very high	98.6	Very high	1 Å²	1	11 Å²	11	1%	0.006	5%	0.054	C	C	.	.			trans	-110.7	-16.2	-176.8	64.4	0	0	0	0	114.5	L758 P776 S806 V807 A808 H836 L840	L758-T778 HydrophobicContact CD1-CG2 4.2Å; P776-T778 HydrophobicContact CB-CG2 4.25Å; P776-T778 HydrophobicContact CG-CG2 4Å; P776-T778 PolarHBondContact O-N 3.18Å; T778-S806 CarbonylContact O-C 3.56Å; T778-V807 HydrophobicContact CG2-CG2 3.98Å; T778-V807 PolarHBondContact O-N 3.08Å; T778-A808 WeakPolarHBondContact O-CB 3.41Å; T778-A808 PolarHBondContact O-N 2.79Å; T778-A808 VanDerWaalsContact O-N 3.15Å; T778-H836 HydrophobicContact CG2-CB 4.11Å; T778-H836 WeakPolarHBondContact CG2-O 3.18Å; T778-H836 PolarHBondContact N-ND1 3.29Å; T778-H836 VanDerWaalsContact N-ND1 3.19Å; T778-H836 VanDerWaalsContact OG1-C 3.23Å; T778-H836 WeakPolarHBondContact OG1-CA 3.24Å; T778-H836 WeakPolarHBondContact OG1-CB 3.49Å; T778-H836 PolarHBondContact OG1-ND1 2.77Å; T778-H836 PolarHBondContact OG1-O 2.88Å; T778-L840 HydrophobicContact CG2-CB 3.89Å; T778-L840 HydrophobicContact CG2-CD2 3.76Å; T778-L840 HydrophobicContact CG2-CG 4.35Å
779	V	98.4	Very high	98.7	Very high	13 Å²	13	11.2 Å²	11.2	8%	0.079	6%	0.055	C	C	.	.			trans	-148.2	108.4	-177.8	-179.7	0	0	0	0	107.9	M781 A782 A808 H836 F839	V779-M781 VanDerWaalsContact C-N 3.26Å; V779-M781 HydrophobicContact CG1-CB 4.17Å; V779-M781 HydrophobicContact CG1-CE 4.31Å; V779-M781 PolarHBondContact O-N 2.86Å; V779-A782 HydrophobicContact CB-CB 4.48Å; V779-A782 PolarHBondContact O-N 3.08Å; V779-A782 VanDerWaalsContact O-N 3.14Å; V779-A808 HydrophobicContact CG2-CB 3.73Å; V779-H836 PolarHBondContact O-CE1 3.3Å; V779-H836 VanDerWaalsContact O-CE1 3.22Å; V779-F839 HydrophobicContact CG2-CD1 3.47Å; V779-F839 VanDerWaalsContact CG2-CD1 3.47Å; V779-F839 HydrophobicContact CG2-CE1 3.65Å
780	W	98.6	Very high	98.7	Very high	2 Å²	2	8 Å²	8	1%	0.008	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-64.1	-29.2	-176	-74.4	110.4	0	0	0	113.5	T330 M718 Y752 F755 V777 A782 Y783 Y787 T788 Y802 G805 S806	T330-W780 WeakPolarHBondContact CG2-O 3.45Å; M718-W780 HydrophobicContact CB-CZ2 4.15Å; M718-W780 HydrophobicContact SD-CH2 3.85Å; M718-W780 HydrophobicContact SD-CZ2 3.92Å; M718-W780 HydrophobicContact SD-CZ3 4.35Å; Y752-W780 HydrophobicContact CD2-CH2 4.07Å; Y752-W780 AromaticContact CE2-CH2 3.8Å; Y752-W780 HydrophobicContact CE2-CH2 3.8Å; Y752-W780 AromaticContact CE2-CZ2 4Å; Y752-W780 HydrophobicContact CE2-CZ2 4Å; F755-W780 HydrophobicContact CD1-CZ2 4.1Å; F755-W780 AromaticContact CE1-CZ2 3.85Å; F755-W780 HydrophobicContact CE1-CZ2 3.85Å; F755-W780 HydrophobicContact CE2-CZ2 4.48Å; F755-W780 HydrophobicContact CG-CZ2 4.47Å; F755-W780 HydrophobicContact CZ-CZ2 4.02Å; F755-W780 AromaticContact CZ-NE1 3.87Å; V777-W780 HydrophobicContact CB-CH2 4.35Å; V777-W780 HydrophobicContact CB-CZ3 4.41Å; V777-W780 HydrophobicContact CG1-CD2 3.95Å; V777-W780 HydrophobicContact CG1-CE3 3.77Å; V777-W780 HydrophobicContact CG1-CH2 4.2Å; V777-W780 HydrophobicContact CG1-CZ2 4.37Å; V777-W780 HydrophobicContact CG1-CZ3 3.9Å; V777-W780 HydrophobicContact CG2-CH2 4.5Å; V777-W780 HydrophobicContact CG2-CZ3 4.38Å; W780-A782 PolarHBondContact O-N 2.97Å; W780-A782 VanDerWaalsContact O-N 3.09Å; W780-Y783 HydrophobicContact CZ3-CD1 4.31Å; W780-Y783 PolarHBondContact O-N 3.43Å; W780-Y787 AromaticContact CH2-CE1 3.91Å; W780-Y787 HydrophobicContact CH2-CE1 3.91Å; W780-Y787 AromaticContact CZ3-CD1 3.98Å; W780-Y787 HydrophobicContact CZ3-CD1 3.98Å; W780-Y787 AromaticContact CZ3-CE1 3.65Å; W780-Y787 HydrophobicContact CZ3-CE1 3.65Å; W780-T788 HydrophobicContact CB-CG2 4.1Å; W780-T788 HydrophobicContact CE3-CG2 3.95Å; W780-Y802 HydrophobicContact CB-CD1 3.59Å; W780-Y802 HydrophobicContact CB-CE1 3.79Å; W780-G805 VanDerWaalsContact CD1-C 3.48Å; W780-G805 PolarHBondContact NE1-O 3.12Å; W780-S806 PolarHBondContact N-OG 3.31Å
781	M	97.9	Very high	98.7	Very high	91 Å²	91	7.9 Å²	7.9	45%	0.448	4%	0.04	S	C	.	.	G	3₁₀ helix	trans	-63.1	-14.5	176.2	-67	-175.7	-69.4	0	0	114.7	V779 Y802	V779-M781 VanDerWaalsContact C-N 3.26Å; V779-M781 HydrophobicContact CG1-CB 4.17Å; V779-M781 HydrophobicContact CG1-CE 4.31Å; V779-M781 PolarHBondContact O-N 2.86Å; M781-Y802 HydrophobicContact CG-CD1 3.87Å; M781-Y802 HydrophobicContact CG-CE1 4.37Å
782	A	98.2	Very high	98.7	Very high	14 Å²	14	7.9 Å²	7.9	12%	0.116	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-98	-5	177.9	0	0	0	0	0	113.1	V779 W780 F835	V779-A782 HydrophobicContact CB-CB 4.48Å; V779-A782 PolarHBondContact O-N 3.08Å; V779-A782 VanDerWaalsContact O-N 3.14Å; W780-A782 PolarHBondContact O-N 2.97Å; W780-A782 VanDerWaalsContact O-N 3.09Å; A782-F835 HydrophobicContact CB-CD1 3.96Å; A782-F835 HydrophobicContact CB-CE1 3.74Å
783	Y	98.6	Very high	98.7	Very high	12 Å²	12	9 Å²	9	5%	0.047	5%	0.046	C	C	.	.	S	Bend	trans	-93.4	165.3	177	-149.9	-113.1	0	0	0	110.7	R329 T330 V777 W780 Y787 N831 V832	R329-Y783 CarbonylContact C-O 3.54Å; R329-Y783 WeakPolarHBondContact CA-O 3.29Å; T330-Y783 PolarHBondContact N-O 2.86Å; V777-Y783 HydrophobicContact CG2-CD2 4.09Å; V777-Y783 HydrophobicContact CG2-CE2 4.21Å; V777-Y783 HydrophobicContact CG2-CG 4.44Å; W780-Y783 HydrophobicContact CZ3-CD1 4.31Å; W780-Y783 PolarHBondContact O-N 3.43Å; Y783-Y787 AromaticContact CD1-CD1 3.87Å; Y783-Y787 HydrophobicContact CD1-CD1 3.87Å; Y783-Y787 HydrophobicContact CD1-CG 4.16Å; Y783-Y787 AromaticContact CE1-CD1 3.82Å; Y783-Y787 HydrophobicContact CE1-CD1 3.82Å; Y783-Y787 HydrophobicContact CE1-CD2 4.45Å; Y783-Y787 AromaticContact CE1-CG 3.77Å; Y783-Y787 HydrophobicContact CE1-CG 3.77Å; Y783-N831 PolarHBondContact OH-ND2 2.81Å; Y783-N831 VanDerWaalsContact OH-ND2 3.09Å; Y783-N831 PolarHBondContact OH-OD1 2.88Å; Y783-V832 HydrophobicContact CD2-CG2 4.45Å; Y783-V832 HydrophobicContact CE2-CB 4.37Å; Y783-V832 HydrophobicContact CE2-CG2 3.58Å
784	D	98.7	Very high	98.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-71.5	165.8	-166.7	72.2	89.6	0	0	0	113.9	F267 V268 E272 Y327 P328 G786 Y787 T788	F267-D784 HydrophobicContact CE1-CB 4.47Å; V268-D784 HydrophobicContact CG2-CB 4.18Å; E272-D784 VanDerWaalsContact CG-OD1 3.3Å; E272-D784 WeakPolarHBondContact CG-OD1 3.24Å; Y327-D784 HydrophobicContact CE1-CB 4.34Å; Y327-D784 HydrophobicContact CE2-CB 4.31Å; Y327-D784 PolarHBondContact OH-N 2.9Å; P328-D784 CarbonylContact O-C 3.59Å; P328-D784 VanDerWaalsContact O-CA 3.27Å; P328-D784 WeakPolarHBondContact O-CA 3.41Å; D784-G786 WeakPolarHBondContact OD1-CA 3.35Å; D784-G786 PolarHBondContact OD1-N 3.14Å; D784-Y787 PolarHBondContact OD1-N 2.78Å; D784-T788 WeakPolarHBondContact O-CB 3.42Å; D784-T788 PolarHBondContact O-N 2.91Å; D784-T788 PolarHBondContact O-OG1 3.03Å
785	T	98.8	Very high	98.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.4	-52	177.2	47.1	0	0	0	0	113.1	P328 R329 N334 Y787 T788 E789	P328-T785 HydrophobicContact CB-CG2 4.08Å; P328-T785 WeakPolarHBondContact O-CG2 3.48Å; P328-T785 PolarHBondContact O-N 2.6Å; R329-T785 WeakPolarHBondContact O-CG2 3.49Å; N334-T785 PolarHBondContact OD1-OG1 2.95Å; T785-Y787 PolarHBondContact O-N 2.92Å; T785-T788 PolarHBondContact O-N 3.3Å; T785-E789 VanDerWaalsContact O-CB 3.25Å; T785-E789 WeakPolarHBondContact O-CB 3.49Å; T785-E789 WeakPolarHBondContact O-CG 3.42Å; T785-E789 PolarHBondContact O-N 2.98Å
786	G	98.6	Very high	98.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.9	-43.6	-171.4	0	0	0	0	0	113	Q395 D784 R790	Q395-G786 PolarHBondContact NE2-O 3Å; D784-G786 WeakPolarHBondContact OD1-CA 3.35Å; D784-G786 PolarHBondContact OD1-N 3.14Å; G786-R790 WeakPolarHBondContact O-CB 3.13Å
787	Y	98.8	Very high	98.6	Very high	18 Å²	18	23.7 Å²	23.7	7%	0.071	12%	0.122	C	C	.	.	H	α-helix	trans	-74.5	-56.3	175.1	-169.9	-89.2	0	0	0	111.4	E272 P668 M718 Y752 W780 Y783 D784 T785 R790 Y791	E272-Y787 WeakPolarHBondContact OE2-CB 3.39Å; E272-Y787 WeakPolarHBondContact OE2-CD2 3.49Å; P668-Y787 WeakPolarHBondContact CD-OH 3.37Å; P668-Y787 HydrophobicContact CG-CE2 4.29Å; P668-Y787 VanDerWaalsContact CG-OH 3.31Å; P668-Y787 WeakPolarHBondContact CG-OH 3.48Å; M718-Y787 HydrophobicContact CE-CE1 3.92Å; M718-Y787 HydrophobicContact SD-CE1 4.19Å; Y752-Y787 WeakPolarHBondContact CD2-OH 3.47Å; W780-Y787 AromaticContact CH2-CE1 3.91Å; W780-Y787 HydrophobicContact CH2-CE1 3.91Å; W780-Y787 AromaticContact CZ3-CD1 3.98Å; W780-Y787 HydrophobicContact CZ3-CD1 3.98Å; W780-Y787 AromaticContact CZ3-CE1 3.65Å; W780-Y787 HydrophobicContact CZ3-CE1 3.65Å; Y783-Y787 AromaticContact CD1-CD1 3.87Å; Y783-Y787 HydrophobicContact CD1-CD1 3.87Å; Y783-Y787 HydrophobicContact CD1-CG 4.16Å; Y783-Y787 AromaticContact CE1-CD1 3.82Å; Y783-Y787 HydrophobicContact CE1-CD1 3.82Å; Y783-Y787 HydrophobicContact CE1-CD2 4.45Å; Y783-Y787 AromaticContact CE1-CG 3.77Å; Y783-Y787 HydrophobicContact CE1-CG 3.77Å; D784-Y787 PolarHBondContact OD1-N 2.78Å; T785-Y787 PolarHBondContact O-N 2.92Å; Y787-R790 WeakPolarHBondContact O-CB 3.45Å; Y787-R790 PolarHBondContact O-N 3.11Å; Y787-Y791 AromaticContact CD1-CD2 3.94Å; Y787-Y791 HydrophobicContact CD1-CD2 3.94Å; Y787-Y791 HydrophobicContact CD1-CE2 4.34Å; Y787-Y791 HydrophobicContact CD2-CD2 4.19Å; Y787-Y791 AromaticContact CD2-CE2 3.74Å; Y787-Y791 HydrophobicContact CD2-CE2 3.74Å; Y787-Y791 AromaticContact CE1-CD2 3.77Å; Y787-Y791 HydrophobicContact CE1-CD2 3.77Å; Y787-Y791 HydrophobicContact CE1-CE2 4.18Å; Y787-Y791 HydrophobicContact CE2-CD2 4.04Å; Y787-Y791 AromaticContact CE2-CE2 3.57Å; Y787-Y791 HydrophobicContact CE2-CE2 3.57Å; Y787-Y791 HydrophobicContact CG-CD2 4.14Å; Y787-Y791 HydrophobicContact CG-CE2 4.12Å; Y787-Y791 AromaticContact CZ-CD2 3.83Å; Y787-Y791 AromaticContact CZ-CE2 3.8Å; Y787-Y791 WeakPolarHBondContact O-CD2 3.5Å; Y787-Y791 PolarHBondContact O-N 3.29Å
788	T	98.8	Very high	98.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-72	-43	-163.9	-42.5	0	0	0	0	111.4	T330 W780 D784 T785 R790 Y791 M792 Y802	T330-T788 HydrophobicContact CG2-CG2 4.21Å; W780-T788 HydrophobicContact CB-CG2 4.1Å; W780-T788 HydrophobicContact CE3-CG2 3.95Å; D784-T788 WeakPolarHBondContact O-CB 3.42Å; D784-T788 PolarHBondContact O-N 2.91Å; D784-T788 PolarHBondContact O-OG1 3.03Å; T785-T788 PolarHBondContact O-N 3.3Å; T788-R790 VanDerWaalsContact C-N 3.29Å; T788-R790 PolarHBondContact O-N 2.61Å; T788-Y791 PolarHBondContact O-N 2.89Å; T788-M792 HydrophobicContact CG2-CB 4.26Å; T788-M792 WeakPolarHBondContact O-CA 3.35Å; T788-M792 WeakPolarHBondContact O-CB 3.46Å; T788-M792 PolarHBondContact O-N 2.95Å; T788-Y802 HydrophobicContact CG2-CE1 3.73Å; T788-Y802 WeakPolarHBondContact CG2-OH 3.47Å
789	E	98.8	Very high	98.5	Very high	3 Å²	3	30.7 Å²	30.7	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-69.1	-29.4	-178.8	-60	-178	-174.2	0	0	112	T330 G331 R393 T785 Y791 D793 V794	T330-E789 VanDerWaalsContact OG1-CG 3.32Å; T330-E789 WeakPolarHBondContact OG1-CG 3.24Å; G331-E789 PolarHBondContact N-OE1 3.29Å; R393-E789 VanDerWaalsContact CG-OE2 3.23Å; R393-E789 WeakPolarHBondContact CG-OE2 3.42Å; R393-E789 IonicContact CZ-OE1 2.65Å; R393-E789 IonicContact CZ-OE2 3.83Å; R393-E789 IonicContact NE-OE1 3.03Å; R393-E789 PolarHBondContact NE-OE1 3.48Å; R393-E789 IonicContact NE-OE2 3.74Å; R393-E789 PolarHBondContact NE-OE2 2.98Å; R393-E789 IonicContact NH2-OE1 3.89Å; R393-E789 PolarHBondContact NH2-OE1 2.97Å; R393-E789 IonicContact NH2-OE2 2.77Å; T785-E789 VanDerWaalsContact O-CB 3.25Å; T785-E789 WeakPolarHBondContact O-CB 3.49Å; T785-E789 WeakPolarHBondContact O-CG 3.42Å; T785-E789 PolarHBondContact O-N 2.98Å; E789-Y791 PolarHBondContact O-N 2.86Å; E789-D793 VanDerWaalsContact O-CA 3.25Å; E789-D793 WeakPolarHBondContact O-CA 3.12Å; E789-D793 PolarHBondContact O-N 2.9Å; E789-D793 VanDerWaalsContact O-N 3.08Å; E789-V794 HydrophobicContact CG-CG1 4.09Å
790	R	98.8	Very high	98.5	Very high	7 Å²	7	36.1 Å²	36.1	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-45.2	174	-179.2	167.2	48.3	-140.3	2.9	112	E272 W442 G786 Y787 T788	E272-R790 PolarHBondContact O-NH1 3.37Å; E272-R790 VanDerWaalsContact O-NH1 3.17Å; E272-R790 IonicContact OE2-NH2 3.85Å; E272-R790 PolarHBondContact OE2-NH2 3.42Å; W442-R790 HydrophobicContact CB-CG 3.74Å; W442-R790 HydrophobicContact CD2-CG 4.44Å; W442-R790 HydrophobicContact CG-CG 3.95Å; G786-R790 WeakPolarHBondContact O-CB 3.13Å; Y787-R790 WeakPolarHBondContact O-CB 3.45Å; Y787-R790 PolarHBondContact O-N 3.11Å; T788-R790 VanDerWaalsContact C-N 3.29Å; T788-R790 PolarHBondContact O-N 2.61Å
791	Y	98.8	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-99.8	-27	-171.5	-58.9	-60	0	0	0	114.1	W442 P668 Q669 K715 N716 M718 Y787 T788 E789	W442-Y791 AromaticContact CD2-CD1 3.85Å; W442-Y791 HydrophobicContact CD2-CD1 3.85Å; W442-Y791 AromaticContact CD2-CE1 3.93Å; W442-Y791 HydrophobicContact CD2-CE1 3.93Å; W442-Y791 AromaticContact CE2-CD1 3.86Å; W442-Y791 AromaticContact CE2-CE1 3.63Å; W442-Y791 AromaticContact CE3-CD1 3.74Å; W442-Y791 HydrophobicContact CE3-CD1 3.74Å; W442-Y791 HydrophobicContact CE3-CE1 4.3Å; W442-Y791 HydrophobicContact CG-CE1 4.5Å; W442-Y791 AromaticContact CH2-CD1 3.65Å; W442-Y791 HydrophobicContact CH2-CD1 3.65Å; W442-Y791 HydrophobicContact CH2-CE1 4.12Å; W442-Y791 AromaticContact CZ2-CD1 3.78Å; W442-Y791 HydrophobicContact CZ2-CD1 3.78Å; W442-Y791 AromaticContact CZ2-CE1 3.74Å; W442-Y791 HydrophobicContact CZ2-CE1 3.74Å; W442-Y791 AromaticContact CZ3-CD1 3.64Å; W442-Y791 HydrophobicContact CZ3-CD1 3.64Å; W442-Y791 HydrophobicContact CZ3-CE1 4.39Å; W442-Y791 AromaticContact NE1-CE1 4Å; P668-Y791 HydrophobicContact CB-CD1 4.35Å; P668-Y791 HydrophobicContact CB-CE1 3.67Å; P668-Y791 HydrophobicContact CB-CE2 4.24Å; P668-Y791 HydrophobicContact CG-CD1 4.23Å; P668-Y791 HydrophobicContact CG-CD2 4.02Å; P668-Y791 HydrophobicContact CG-CE1 3.85Å; P668-Y791 HydrophobicContact CG-CE2 3.61Å; P668-Y791 HydrophobicContact CG-CG 4.33Å; Q669-Y791 WeakPolarHBondContact CG-OH 3.06Å; Q669-Y791 PolarHBondContact NE2-OH 2.98Å; K715-Y791 WeakPolarHBondContact CA-O 3.42Å; N716-Y791 PolarHBondContact N-O 2.83Å; M718-Y791 HydrophobicContact CE-CD1 4.21Å; M718-Y791 HydrophobicContact CE-CD2 3.59Å; M718-Y791 HydrophobicContact CE-CE2 4.46Å; M718-Y791 HydrophobicContact CE-CG 3.45Å; M718-Y791 VanDerWaalsContact CE-CG 3.45Å; M718-Y791 HydrophobicContact SD-CG 4.49Å; Y787-Y791 AromaticContact CD1-CD2 3.94Å; Y787-Y791 HydrophobicContact CD1-CD2 3.94Å; Y787-Y791 HydrophobicContact CD1-CE2 4.34Å; Y787-Y791 HydrophobicContact CD2-CD2 4.19Å; Y787-Y791 AromaticContact CD2-CE2 3.74Å; Y787-Y791 HydrophobicContact CD2-CE2 3.74Å; Y787-Y791 AromaticContact CE1-CD2 3.77Å; Y787-Y791 HydrophobicContact CE1-CD2 3.77Å; Y787-Y791 HydrophobicContact CE1-CE2 4.18Å; Y787-Y791 HydrophobicContact CE2-CD2 4.04Å; Y787-Y791 AromaticContact CE2-CE2 3.57Å; Y787-Y791 HydrophobicContact CE2-CE2 3.57Å; Y787-Y791 HydrophobicContact CG-CD2 4.14Å; Y787-Y791 HydrophobicContact CG-CE2 4.12Å; Y787-Y791 AromaticContact CZ-CD2 3.83Å; Y787-Y791 AromaticContact CZ-CE2 3.8Å; Y787-Y791 WeakPolarHBondContact O-CD2 3.5Å; Y787-Y791 PolarHBondContact O-N 3.29Å; T788-Y791 PolarHBondContact O-N 2.89Å; E789-Y791 PolarHBondContact O-N 2.86Å
792	M	98.8	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-119	0.8	-173.4	-64.7	-64.9	-75.2	0	0	114.2	K717 M718 T788 N798 G801 Y802	K717-M792 PolarHBondContact N-SD 2.81Å; M718-M792 HydrophobicContact CB-CE 4.37Å; M718-M792 HydrophobicContact CB-CG 4.38Å; M718-M792 HydrophobicContact CB-SD 3.6Å; M718-M792 HydrophobicContact CG-CG 4.13Å; M718-M792 HydrophobicContact CG-SD 3.63Å; M718-M792 PolarHBondContact N-SD 2.57Å; M718-M792 VanDerWaalsContact N-SD 3.36Å; M718-M792 HydrophobicContact SD-CG 3.9Å; M718-M792 HydrophobicContact SD-SD 4.23Å; T788-M792 HydrophobicContact CG2-CB 4.26Å; T788-M792 WeakPolarHBondContact O-CA 3.35Å; T788-M792 WeakPolarHBondContact O-CB 3.46Å; T788-M792 PolarHBondContact O-N 2.95Å; M792-N798 WeakPolarHBondContact O-CB 3.41Å; M792-N798 PolarHBondContact O-ND2 2.84Å; M792-G801 WeakPolarHBondContact CE-O 3.23Å; M792-Y802 HydrophobicContact CB-CD2 4.45Å; M792-Y802 HydrophobicContact CB-CE2 3.82Å; M792-Y802 WeakPolarHBondContact O-CE2 2.99Å
793	D	98.6	Very high	98.5	Very high	24 Å²	24	35.7 Å²	35.7	13%	0.128	18%	0.175	C	C	.	.			trans	61	-179.4	-169.6	-140.5	-65.2	0	0	0	112	K396 E789 N797 N798 Y802	K396-D793 IonicContact NZ-OD2 3.14Å; K396-D793 PolarHBondContact NZ-OD2 3.32Å; E789-D793 VanDerWaalsContact O-CA 3.25Å; E789-D793 WeakPolarHBondContact O-CA 3.12Å; E789-D793 PolarHBondContact O-N 2.9Å; E789-D793 VanDerWaalsContact O-N 3.08Å; D793-N797 HydrophobicContact CB-CB 4.34Å; D793-N797 PolarHBondContact OD1-ND2 3.01Å; D793-N798 HydrophobicContact CB-CB 4.36Å; D793-Y802 VanDerWaalsContact O-CE2 3.32Å; D793-Y802 WeakPolarHBondContact O-CE2 3.15Å; D793-Y802 PolarHBondContact O-OH 2.95Å
794	V	98.5	Very high	98.5	Very high	27 Å²	27	38.4 Å²	38.4	16%	0.164	19%	0.188	C	C	.	.			trans	-69.3	148.9	172.4	-63.8	0	0	0	0	110.6	E789 E796 N797 N798	E789-V794 HydrophobicContact CG-CG1 4.09Å; V794-E796 HydrophobicContact CG2-CB 4.5Å; V794-E796 PolarHBondContact O-N 3.17Å; V794-E796 VanDerWaalsContact O-N 3.13Å; V794-N797 HydrophobicContact CG2-CB 3.9Å; V794-N797 VanDerWaalsContact CG2-ND2 3.31Å; V794-N797 WeakPolarHBondContact CG2-ND2 3.13Å; V794-N797 PolarHBondContact O-N 3.23Å; V794-N798 PolarHBondContact O-N 3.41Å
795	P	98.1	Very high	98.5	Very high	21 Å²	21	38.4 Å²	38.4	14%	0.136	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-53.2	-36.2	-178.1	-27.1	34.8	0	0	0	114.1	T330 N797 N798 Q799 Y802	T330-P795 HydrophobicContact CG2-CG 4.11Å; P795-N797 PolarHBondContact O-N 3.34Å; P795-N798 CarbonylContact O-C 3.54Å; P795-N798 PolarHBondContact O-N 2.56Å; P795-Q799 PolarHBondContact O-N 2.85Å; P795-Q799 VanDerWaalsContact O-N 3.11Å; P795-Y802 HydrophobicContact CB-CD2 4.48Å; P795-Y802 HydrophobicContact CB-CE1 4.46Å; P795-Y802 HydrophobicContact CB-CE2 4.33Å; P795-Y802 HydrophobicContact CG-CD1 4.45Å; P795-Y802 HydrophobicContact CG-CE1 3.89Å; P795-Y802 HydrophobicContact CG-CE2 4.22Å
796	E	97.9	Very high	98.5	Very high	145 Å²	145	38.4 Å²	38.4	68%	0.678	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-63.1	-29.3	179.1	-63.6	75.2	-164.4	0	0	112.9	V794	V794-E796 HydrophobicContact CG2-CB 4.5Å; V794-E796 PolarHBondContact O-N 3.17Å; V794-E796 VanDerWaalsContact O-N 3.13Å
797	N	98.3	Very high	98.4	Very high	116 Å²	116	38.5 Å²	38.5	62%	0.62	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-91.9	-17	-178.5	-70.4	-12.8	0	0	0	113.1	D793 V794 P795	D793-N797 HydrophobicContact CB-CB 4.34Å; D793-N797 PolarHBondContact OD1-ND2 3.01Å; V794-N797 HydrophobicContact CG2-CB 3.9Å; V794-N797 VanDerWaalsContact CG2-ND2 3.31Å; V794-N797 WeakPolarHBondContact CG2-ND2 3.13Å; V794-N797 PolarHBondContact O-N 3.23Å; P795-N797 PolarHBondContact O-N 3.34Å
798	N	98.5	Very high	98.3	Very high	22 Å²	22	37.7 Å²	37.7	12%	0.118	19%	0.185	C	C	.	.			trans	-141.4	41.5	-172.8	-170.9	28.5	0	0	0	113.6	N716 M792 D793 V794 P795 Q800 G801 Y802	N716-N798 VanDerWaalsContact CA-ND2 3.31Å; N716-N798 WeakPolarHBondContact CA-ND2 3.32Å; N716-N798 VanDerWaalsContact CB-ND2 3.32Å; N716-N798 WeakPolarHBondContact CB-ND2 3.44Å; N716-N798 PolarHBondContact O-ND2 2.82Å; N716-N798 VanDerWaalsContact O-ND2 3.08Å; M792-N798 WeakPolarHBondContact O-CB 3.41Å; M792-N798 PolarHBondContact O-ND2 2.84Å; D793-N798 HydrophobicContact CB-CB 4.36Å; V794-N798 PolarHBondContact O-N 3.41Å; P795-N798 CarbonylContact O-C 3.54Å; P795-N798 PolarHBondContact O-N 2.56Å; N798-Q800 PolarHBondContact O-N 2.9Å; N798-Q800 VanDerWaalsContact O-N 3.12Å; N798-G801 PolarHBondContact O-N 2.84Å; N798-G801 WeakPolarHBondContact OD1-CA 3.35Å; N798-G801 PolarHBondContact OD1-N 2.58Å; N798-Y802 HydrophobicContact CB-CD2 4.2Å; N798-Y802 HydrophobicContact CB-CE2 4.37Å; N798-Y802 WeakPolarHBondContact O-CD2 3.49Å; N798-Y802 PolarHBondContact O-N 3Å
799	Q	98.2	Very high	98.2	Very high	129 Å²	129	41.7 Å²	41.7	60%	0.603	21%	0.206	S	C	*	.	H	α-helix	trans	-49.2	-45	-177.8	-176.7	175.7	-3.3	0	0	113	P795 Y802 E803	P795-Q799 PolarHBondContact O-N 2.85Å; P795-Q799 VanDerWaalsContact O-N 3.11Å; Q799-Y802 PolarHBondContact O-N 2.72Å; Q799-E803 HydrophobicContact CG-CG 4.49Å; Q799-E803 WeakPolarHBondContact CG-OE1 3.14Å; Q799-E803 PolarHBondContact NE2-OE1 3.01Å; Q799-E803 WeakPolarHBondContact O-CG 3.45Å; Q799-E803 PolarHBondContact O-N 2.91Å
800	Q	98.2	Very high	98.1	Very high	127 Å²	127	43 Å²	43	59%	0.593	21%	0.212	S	C	*	.	H	α-helix	trans	-62	-45.7	178.9	-177.7	176.3	-0.1	0	0	112.4	N798 Y802 E803 E804	N798-Q800 PolarHBondContact O-N 2.9Å; N798-Q800 VanDerWaalsContact O-N 3.12Å; Q800-Y802 VanDerWaalsContact C-N 3.34Å; Q800-Y802 PolarHBondContact O-N 2.96Å; Q800-E803 PolarHBondContact O-N 3.45Å; Q800-E804 HydrophobicContact CG-CG 4.17Å; Q800-E804 WeakPolarHBondContact CG-OE1 3.41Å; Q800-E804 PolarHBondContact NE2-OE1 3.03Å; Q800-E804 WeakPolarHBondContact O-CB 3.26Å; Q800-E804 WeakPolarHBondContact O-CG 3.5Å; Q800-E804 PolarHBondContact O-N 2.98Å
801	G	98.4	Very high	98.1	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-39.3	178.4	0	0	0	0	0	112.4	M792 N798 G805	M792-G801 WeakPolarHBondContact CE-O 3.23Å; N798-G801 PolarHBondContact O-N 2.84Å; N798-G801 WeakPolarHBondContact OD1-CA 3.35Å; N798-G801 PolarHBondContact OD1-N 2.58Å; G801-G805 WeakPolarHBondContact O-CA 3.28Å; G801-G805 PolarHBondContact O-N 2.84Å
802	Y	98.8	Very high	98	Very high	6 Å²	6	47.9 Å²	47.9	2%	0.024	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-41.9	173.9	-86.3	-97.6	0	0	0	112.3	T330 W780 M781 T788 M792 D793 P795 N798 Q799 Q800 S806	T330-Y802 HydrophobicContact CG2-CE1 3.82Å; T330-Y802 PolarHBondContact OG1-OH 2.84Å; W780-Y802 HydrophobicContact CB-CD1 3.59Å; W780-Y802 HydrophobicContact CB-CE1 3.79Å; M781-Y802 HydrophobicContact CG-CD1 3.87Å; M781-Y802 HydrophobicContact CG-CE1 4.37Å; T788-Y802 HydrophobicContact CG2-CE1 3.73Å; T788-Y802 WeakPolarHBondContact CG2-OH 3.47Å; M792-Y802 HydrophobicContact CB-CD2 4.45Å; M792-Y802 HydrophobicContact CB-CE2 3.82Å; M792-Y802 WeakPolarHBondContact O-CE2 2.99Å; D793-Y802 VanDerWaalsContact O-CE2 3.32Å; D793-Y802 WeakPolarHBondContact O-CE2 3.15Å; D793-Y802 PolarHBondContact O-OH 2.95Å; P795-Y802 HydrophobicContact CB-CD2 4.48Å; P795-Y802 HydrophobicContact CB-CE1 4.46Å; P795-Y802 HydrophobicContact CB-CE2 4.33Å; P795-Y802 HydrophobicContact CG-CD1 4.45Å; P795-Y802 HydrophobicContact CG-CE1 3.89Å; P795-Y802 HydrophobicContact CG-CE2 4.22Å; N798-Y802 HydrophobicContact CB-CD2 4.2Å; N798-Y802 HydrophobicContact CB-CE2 4.37Å; N798-Y802 WeakPolarHBondContact O-CD2 3.49Å; N798-Y802 PolarHBondContact O-N 3Å; Q799-Y802 PolarHBondContact O-N 2.72Å; Q800-Y802 VanDerWaalsContact C-N 3.34Å; Q800-Y802 PolarHBondContact O-N 2.96Å; Y802-S806 WeakPolarHBondContact O-CB 3.48Å; Y802-S806 PolarHBondContact O-N 2.82Å; Y802-S806 PolarHBondContact O-OG 2.83Å
803	E	98.3	Very high	98	Very high	91 Å²	91	53 Å²	53	43%	0.425	26%	0.262	S	S	.	.	H	α-helix	trans	-67.3	-50.6	177.6	-74.1	176.4	-166.6	0	0	111.5	Q799 Q800 G805 S806 L809 H810	Q799-E803 HydrophobicContact CG-CG 4.49Å; Q799-E803 WeakPolarHBondContact CG-OE1 3.14Å; Q799-E803 PolarHBondContact NE2-OE1 3.01Å; Q799-E803 WeakPolarHBondContact O-CG 3.45Å; Q799-E803 PolarHBondContact O-N 2.91Å; Q800-E803 PolarHBondContact O-N 3.45Å; E803-G805 VanDerWaalsContact C-N 3.31Å; E803-G805 PolarHBondContact O-N 2.89Å; E803-S806 PolarHBondContact O-N 2.88Å; E803-L809 HydrophobicContact CB-CD1 4.33Å; E803-L809 HydrophobicContact CG-CD1 4.2Å; E803-H810 PolarHBondContact O-NE2 2.85Å
804	E	98.2	Very high	97.9	Very high	68 Å²	68	52.2 Å²	52.2	32%	0.318	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-38.4	178.6	-72.7	175	167.4	0	0	111.9	Q720 M759 Q800 S806	Q720-E804 VanDerWaalsContact CD-OE2 3.23Å; Q720-E804 PolarHBondContact NE2-OE2 3.24Å; Q720-E804 PolarHBondContact OE1-OE2 3.26Å; M759-E804 WeakPolarHBondContact CE-O 3.44Å; Q800-E804 HydrophobicContact CG-CG 4.17Å; Q800-E804 WeakPolarHBondContact CG-OE1 3.41Å; Q800-E804 PolarHBondContact NE2-OE1 3.03Å; Q800-E804 WeakPolarHBondContact O-CB 3.26Å; Q800-E804 WeakPolarHBondContact O-CG 3.5Å; Q800-E804 PolarHBondContact O-N 2.98Å; E804-S806 VanDerWaalsContact C-N 3.34Å; E804-S806 PolarHBondContact O-N 2.86Å
805	G	97.8	Very high	97.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-9.4	177.9	0	0	0	0	0	115	M718 F755 M759 W780 G801 E803	M718-G805 WeakPolarHBondContact O-CA 3.26Å; F755-G805 WeakPolarHBondContact CE2-O 3.45Å; M759-G805 VanDerWaalsContact CE-CA 3.5Å; W780-G805 VanDerWaalsContact CD1-C 3.48Å; W780-G805 PolarHBondContact NE1-O 3.12Å; G801-G805 WeakPolarHBondContact O-CA 3.28Å; G801-G805 PolarHBondContact O-N 2.84Å; E803-G805 VanDerWaalsContact C-N 3.31Å; E803-G805 PolarHBondContact O-N 2.89Å
806	S	98.4	Very high	97.9	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.007	28%	0.275	C	S	.	.			trans	-102.4	96.1	-176.3	-66.4	0	0	0	0	111.9	T778 W780 Y802 E803 E804 A808 L809 H810	T778-S806 CarbonylContact O-C 3.56Å; W780-S806 PolarHBondContact N-OG 3.31Å; Y802-S806 WeakPolarHBondContact O-CB 3.48Å; Y802-S806 PolarHBondContact O-N 2.82Å; Y802-S806 PolarHBondContact O-OG 2.83Å; E803-S806 PolarHBondContact O-N 2.88Å; E804-S806 VanDerWaalsContact C-N 3.34Å; E804-S806 PolarHBondContact O-N 2.86Å; S806-A808 PolarHBondContact O-N 3.4Å; S806-L809 WeakPolarHBondContact O-CB 3.44Å; S806-L809 PolarHBondContact O-N 3.03Å; S806-H810 PolarHBondContact O-CD2 2.98Å
807	V	96.9	Very high	97.9	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-55.1	-29	-176.9	-58	0	0	0	0	114.4	F755 L758 M759 I762 T778 L809 H810 L840	F755-V807 HydrophobicContact CD2-CG1 4.07Å; F755-V807 HydrophobicContact CE2-CG1 4.05Å; L758-V807 HydrophobicContact CB-CB 4.28Å; L758-V807 HydrophobicContact CB-CG1 3.92Å; L758-V807 HydrophobicContact CB-CG2 4.32Å; L758-V807 HydrophobicContact CD1-CG2 3.69Å; M759-V807 HydrophobicContact CE-CG1 4.04Å; M759-V807 HydrophobicContact CG-CG1 3.85Å; M759-V807 HydrophobicContact SD-CG1 3.65Å; I762-V807 HydrophobicContact CD1-CB 3.75Å; I762-V807 HydrophobicContact CD1-CG1 3.97Å; T778-V807 HydrophobicContact CG2-CG2 3.98Å; T778-V807 PolarHBondContact O-N 3.08Å; V807-L809 PolarHBondContact O-N 2.87Å; V807-H810 PolarHBondContact O-N 2.93Å; V807-L840 HydrophobicContact CG2-CD1 4.46Å
808	A	96.4	Very high	97.9	Very high	1 Å²	1	51 Å²	51	1%	0.008	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-64.6	-17.7	177.1	0	0	0	0	0	113.1	T778 V779 S806 F839 L840 Q843	T778-A808 WeakPolarHBondContact O-CB 3.41Å; T778-A808 PolarHBondContact O-N 2.79Å; T778-A808 VanDerWaalsContact O-N 3.15Å; V779-A808 HydrophobicContact CG2-CB 3.73Å; S806-A808 PolarHBondContact O-N 3.4Å; A808-F839 HydrophobicContact CB-CD1 3.64Å; A808-F839 HydrophobicContact CB-CE1 3.72Å; A808-L840 HydrophobicContact CB-CD1 4.34Å; A808-Q843 HydrophobicContact CB-CG 4.4Å; A808-Q843 WeakPolarHBondContact O-CG 3.28Å
809	L	96.7	Very high	97.8	Very high	84 Å²	84	52.9 Å²	52.9	44%	0.44	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-89.9	-8.7	176.2	-54.4	-179	0	0	0	113.3	E803 S806 V807	E803-L809 HydrophobicContact CB-CD1 4.33Å; E803-L809 HydrophobicContact CG-CD1 4.2Å; S806-L809 WeakPolarHBondContact O-CB 3.44Å; S806-L809 PolarHBondContact O-N 3.03Å; V807-L809 PolarHBondContact O-N 2.87Å
810	H	97.8	Very high	97.9	Very high	31 Å²	31	48.6 Å²	48.6	14%	0.144	25%	0.25	C	C	.	.			trans	-120.5	24.8	-176.6	-58.8	-75.6	0	0	0	112.6	I762 E803 S806 V807 D812 K813	I762-H810 HydrophobicContact CD1-CB 4.32Å; I762-H810 HydrophobicContact CG2-CB 4.26Å; E803-H810 PolarHBondContact O-NE2 2.85Å; S806-H810 PolarHBondContact O-CD2 2.98Å; V807-H810 PolarHBondContact O-N 2.93Å; H810-D812 VanDerWaalsContact C-OD1 3.28Å; H810-D812 PolarHBondContact O-N 3.3Å; H810-K813 HydrophobicContact CB-CD 4.23Å; H810-K813 PolarHBondContact ND1-NZ 3.46Å; H810-K813 WeakPolarHBondContact O-CB 3.42Å; H810-K813 PolarHBondContact O-N 3.15Å; H810-K813 VanDerWaalsContact O-N 3.11Å
811	V	97.7	Very high	97.9	Very high	12 Å²	12	42.9 Å²	42.9	7%	0.073	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-63.9	-21.6	-177.1	-67.3	0	0	0	0	113.6	K813 L814 L840 Q843 I844 A847	V811-K813 PolarHBondContact O-N 3.13Å; V811-L814 HydrophobicContact CB-CD1 4.19Å; V811-L814 HydrophobicContact CG1-CD1 4.19Å; V811-L814 WeakPolarHBondContact O-CB 3.37Å; V811-L814 PolarHBondContact O-N 3.31Å; V811-L814 VanDerWaalsContact O-N 3.13Å; V811-L840 HydrophobicContact CG1-CD1 3.65Å; V811-Q843 HydrophobicContact CB-CB 4.42Å; V811-Q843 HydrophobicContact CG1-CB 3.8Å; V811-Q843 HydrophobicContact CG2-CB 3.86Å; V811-I844 HydrophobicContact CB-CG1 4.39Å; V811-I844 HydrophobicContact CG1-CG1 3.98Å; V811-A847 HydrophobicContact CB-CB 4.47Å; V811-A847 HydrophobicContact CG2-CB 3.84Å
812	D	97.4	Very high	97.9	Very high	97 Å²	97	42.8 Å²	42.8	52%	0.519	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-62	-31.5	174.6	64.3	-56.7	0	0	0	112	H810 L814 K849	H810-D812 VanDerWaalsContact C-OD1 3.28Å; H810-D812 PolarHBondContact O-N 3.3Å; D812-L814 VanDerWaalsContact C-N 3.31Å; D812-K849 VanDerWaalsContact O-CE 3.28Å; D812-K849 WeakPolarHBondContact O-CE 3.36Å; D812-K849 PolarHBondContact O-NZ 3.26Å
813	K	97.9	Very high	97.9	Very high	108 Å²	108	42.5 Å²	42.5	47%	0.47	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-79.1	-10.7	177.3	-59	177.4	-171	157.9	0	113.4	I762 H810 V811	I762-K813 HydrophobicContact CG2-CB 3.93Å; I762-K813 HydrophobicContact CG2-CD 4.02Å; H810-K813 HydrophobicContact CB-CD 4.23Å; H810-K813 PolarHBondContact ND1-NZ 3.46Å; H810-K813 WeakPolarHBondContact O-CB 3.42Å; H810-K813 PolarHBondContact O-N 3.15Å; H810-K813 VanDerWaalsContact O-N 3.11Å; V811-K813 PolarHBondContact O-N 3.13Å
814	L	98.3	Very high	98	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.042	20%	0.202	C	C	.	.	S	Bend	trans	-64.4	149.6	172.9	-71.4	169.8	0	0	0	110.6	L761 I762 V811 D812 L821 I844 K849	L761-L814 HydrophobicContact CD2-CD2 4.12Å; L761-L814 HydrophobicContact CG-CD2 4.47Å; I762-L814 HydrophobicContact CD1-CD2 4.27Å; I762-L814 HydrophobicContact CG1-CD2 3.64Å; I762-L814 HydrophobicContact CG1-CG 4.09Å; V811-L814 HydrophobicContact CB-CD1 4.19Å; V811-L814 HydrophobicContact CG1-CD1 4.19Å; V811-L814 WeakPolarHBondContact O-CB 3.37Å; V811-L814 PolarHBondContact O-N 3.31Å; V811-L814 VanDerWaalsContact O-N 3.13Å; D812-L814 VanDerWaalsContact C-N 3.31Å; L814-L821 HydrophobicContact CD1-CD2 4.28Å; L814-L821 HydrophobicContact CD2-CD2 4.49Å; L814-I844 HydrophobicContact CD1-CD1 3.91Å; L814-I844 HydrophobicContact CD1-CG1 3.81Å; L814-K849 WeakPolarHBondContact O-CE 3.4Å; L814-K849 PolarHBondContact O-NZ 2.94Å
815	P	97.8	Very high	98	Very high	14 Å²	14	35 Å²	35	9%	0.091	19%	0.187	C	C	.	.			trans	-56.1	143.2	176.5	-24.9	34.2	0	0	0	112.8	L761 P765 E817 R820	L761-P815 HydrophobicContact CD1-CG 3.92Å; L761-P815 HydrophobicContact CD2-CG 4.1Å; L761-P815 HydrophobicContact CG-CG 3.86Å; P765-P815 HydrophobicContact CB-CG 4.45Å; P815-E817 VanDerWaalsContact C-N 3.32Å; P815-E817 VanDerWaalsContact CB-OE2 3.26Å; P815-E817 WeakPolarHBondContact CB-OE2 3.12Å; P815-R820 HydrophobicContact CB-CB 4.44Å; P815-R820 HydrophobicContact CG-CB 4.44Å
816	S	98.2	Very high	98	Very high	82 Å²	82	35.2 Å²	35.2	57%	0.573	19%	0.188	S	C	*	.	S	Bend	trans	-84.9	-11.3	172.5	-62.1	0	0	0	0	111.9	K849	S816-K849 PolarHBondContact OG-NZ 2.74Å
817	E	98.1	Very high	98	Very high	108 Å²	108	38.3 Å²	38.3	51%	0.505	20%	0.202	S	C	.	.	S	Bend	trans	-77.7	131.8	176.4	-54.2	92.6	149.5	0	0	111.3	P815 R820 P850	P815-E817 VanDerWaalsContact C-N 3.32Å; P815-E817 VanDerWaalsContact CB-OE2 3.26Å; P815-E817 WeakPolarHBondContact CB-OE2 3.12Å; E817-R820 HydrophobicContact CB-CG 4.37Å; E817-R820 IonicContact OE2-NH1 2.64Å; E817-P850 WeakPolarHBondContact O-CG 3.22Å
818	P	97.6	Very high	98.1	Very high	80 Å²	80	38.5 Å²	38.5	52%	0.519	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	169.4	176	31	-36	0	0	0	111.5	R820 P850	P818-R820 PolarHBondContact O-N 3.11Å; P818-P850 HydrophobicContact CB-CB 3.92Å; P818-P850 HydrophobicContact CB-CG 4.17Å
819	N	97.9	Very high	98.2	Very high	61 Å²	61	38.5 Å²	38.5	33%	0.326	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	20	176.2	-46.9	-39.2	0	0	0	114.6	L770 Q852 Y883	L770-N819 WeakPolarHBondContact CD2-O 3.45Å; N819-Q852 PolarHBondContact OD1-NE2 3.29Å; N819-Y883 HydrophobicContact CB-CD1 3.59Å; N819-Y883 HydrophobicContact CB-CD2 4.1Å; N819-Y883 HydrophobicContact CB-CE1 3.73Å; N819-Y883 HydrophobicContact CB-CE2 4.22Å; N819-Y883 HydrophobicContact CB-CG 3.78Å
820	R	98.5	Very high	98.2	Very high	38 Å²	38	34.6 Å²	34.6	14%	0.143	18%	0.182	C	C	.	.	S	Bend	trans	-101.2	-16	174.7	-64.3	-166.3	64	-174.6	-0	114.5	P765 F768 K769 L770 A771 P815 E817 P818	P765-R820 PolarHBondContact O-NH2 2.75Å; F768-R820 PolarHBondContact O-NH2 3.5Å; K769-R820 WeakPolarHBondContact O-CG 3.45Å; K769-R820 PolarHBondContact O-NE 2.64Å; L770-R820 CarbonylContact C-O 3.2Å; L770-R820 WeakPolarHBondContact CA-O 3.34Å; A771-R820 PolarHBondContact N-O 3.41Å; P815-R820 HydrophobicContact CB-CB 4.44Å; P815-R820 HydrophobicContact CG-CB 4.44Å; E817-R820 HydrophobicContact CB-CG 4.37Å; E817-R820 IonicContact OE2-NH1 2.64Å; P818-R820 PolarHBondContact O-N 3.11Å
821	L	98.8	Very high	98.2	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	122.1	-174.8	176.1	59.2	0	0	0	110.9	L758 L761 A771 L814 I823 I844 Q852	L758-L821 HydrophobicContact CD2-CD1 3.52Å; L758-L821 HydrophobicContact CD2-CD2 4.36Å; L761-L821 HydrophobicContact CD2-CB 4.06Å; L761-L821 HydrophobicContact CD2-CD1 4.35Å; A771-L821 HydrophobicContact CB-CD1 4.42Å; L814-L821 HydrophobicContact CD1-CD2 4.28Å; L814-L821 HydrophobicContact CD2-CD2 4.49Å; L821-I823 HydrophobicContact CD1-CG1 4.11Å; L821-I823 HydrophobicContact CD2-CD1 4.24Å; L821-I823 HydrophobicContact CD2-CG1 4.4Å; L821-I823 HydrophobicContact CG-CD1 4.47Å; L821-I823 HydrophobicContact CG-CG1 4.13Å; L821-I844 HydrophobicContact CD2-CD1 3.95Å; L821-Q852 PolarHBondContact O-N 3.45Å
822	L	98.9	Very high	98.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.7	167.7	176.6	60.8	0	0	0	109.4	A771 I772 A773 L824 Q852 Q854 M875 F879	A771-L822 PolarHBondContact O-N 2.92Å; I772-L822 CarbonylContact C-O 3.58Å; I772-L822 WeakPolarHBondContact CA-O 3.13Å; I772-L822 HydrophobicContact CG1-CB 4.16Å; I772-L822 HydrophobicContact CG1-CD2 4.33Å; I772-L822 HydrophobicContact CG2-CB 4.41Å; I772-L822 HydrophobicContact CG2-CD2 4.06Å; I772-L822 HydrophobicContact CG2-CG 4.29Å; A773-L822 PolarHBondContact N-O 2.84Å; L822-L824 HydrophobicContact CD1-CD2 4.09Å; L822-L824 HydrophobicContact CD2-CD2 4.01Å; L822-L824 HydrophobicContact CG-CD2 3.87Å; L822-L824 HydrophobicContact CG-CG 4.34Å; L822-Q852 HydrophobicContact CD1-CB 3.82Å; L822-Q854 HydrophobicContact CD1-CG 4.23Å; L822-M875 HydrophobicContact CD2-CG 4.37Å; L822-F879 HydrophobicContact CB-CD1 4.27Å; L822-F879 HydrophobicContact CB-CD2 4.17Å; L822-F879 HydrophobicContact CB-CE1 3.98Å; L822-F879 HydrophobicContact CB-CE2 3.9Å; L822-F879 HydrophobicContact CB-CG 4.36Å; L822-F879 HydrophobicContact CB-CZ 3.81Å; L822-F879 HydrophobicContact CD2-CB 4.03Å; L822-F879 HydrophobicContact CD2-CD1 4.24Å; L822-F879 HydrophobicContact CD2-CD2 3.99Å; L822-F879 HydrophobicContact CD2-CG 3.82Å
823	I	98.9	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.2	175.8	-58.1	167.1	0	0	0	108.4	A773 L821 T837 L840 I844 Q852 L853 Q854	A773-I823 WeakPolarHBondContact O-CA 3.49Å; L821-I823 HydrophobicContact CD1-CG1 4.11Å; L821-I823 HydrophobicContact CD2-CD1 4.24Å; L821-I823 HydrophobicContact CD2-CG1 4.4Å; L821-I823 HydrophobicContact CG-CD1 4.47Å; L821-I823 HydrophobicContact CG-CG1 4.13Å; I823-T837 HydrophobicContact CG2-CG2 3.78Å; I823-T837 WeakPolarHBondContact CG2-OG1 3.31Å; I823-L840 HydrophobicContact CD1-CD2 3.89Å; I823-I844 HydrophobicContact CD1-CD1 4.25Å; I823-Q852 PolarHBondContact N-O 2.78Å; I823-L853 HydrophobicContact CB-CD1 3.99Å; I823-L853 HydrophobicContact CG2-CD1 3.88Å; I823-L853 CarbonylContact O-C 3.54Å; I823-L853 WeakPolarHBondContact O-CA 3.32Å; I823-Q854 PolarHBondContact O-N 2.76Å
824	L	98.9	Very high	98.3	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.1	178.2	-53.3	177.6	0	0	0	108.9	W750 I772 A773 G774 A775 L822 Q854 Y856 Y872	W750-L824 HydrophobicContact CH2-CB 4Å; W750-L824 HydrophobicContact CH2-CD1 4.5Å; W750-L824 HydrophobicContact CZ2-CB 4.29Å; W750-L824 HydrophobicContact CZ2-CD1 3.98Å; I772-L824 HydrophobicContact CG2-CD1 3.74Å; I772-L824 HydrophobicContact CG2-CG 4.21Å; A773-L824 PolarHBondContact O-N 2.94Å; G774-L824 CarbonylContact C-O 3.57Å; G774-L824 WeakPolarHBondContact CA-O 3.25Å; A775-L824 PolarHBondContact N-O 3.33Å; L822-L824 HydrophobicContact CD1-CD2 4.09Å; L822-L824 HydrophobicContact CD2-CD2 4.01Å; L822-L824 HydrophobicContact CG-CD2 3.87Å; L822-L824 HydrophobicContact CG-CG 4.34Å; L824-Q854 WeakPolarHBondContact CA-O 3.41Å; L824-Q854 HydrophobicContact CD2-CB 3.68Å; L824-Q854 HydrophobicContact CD2-CG 4.24Å; L824-Y856 HydrophobicContact CB-CE2 4.18Å; L824-Y856 HydrophobicContact CD2-CE2 4.42Å; L824-Y872 HydrophobicContact CD1-CD2 3.73Å; L824-Y872 HydrophobicContact CD1-CE2 3.73Å
825	H	98.9	Very high	98.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	140.1	176.7	-141.8	133.5	0	0	0	112.4	D829 V832 F834 T837 Q854 V855 Y856	H825-D829 IonicContact CD2-OD2 2.65Å; H825-D829 IonicContact NE2-OD2 2.82Å; H825-V832 PolarHBondContact NE2-O 3.36Å; H825-F834 HydrophobicContact CB-CD2 3.77Å; H825-F834 HydrophobicContact CB-CE2 3.82Å; H825-F834 AromaticContact CG-CD2 3.86Å; H825-T837 WeakPolarHBondContact ND1-CB 3.38Å; H825-T837 PolarHBondContact ND1-OG1 2.82Å; H825-Q854 PolarHBondContact N-O 2.94Å; H825-Q854 VanDerWaalsContact N-O 3.16Å; H825-V855 WeakPolarHBondContact O-CA 3.34Å; H825-Y856 PolarHBondContact O-N 3.41Å
826	G	98.6	Very high	98.3	Very high	3 Å²	3	29 Å²	29	3%	0.031	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	135.9	163.9	0	0	0	0	0	110.9	E859	G826-E859 CarbonylContact C-O 3.52Å; G826-E859 VanDerWaalsContact CA-O 3.28Å; G826-E859 WeakPolarHBondContact CA-O 3.34Å
827	F	98.6	Very high	98.4	Very high	67 Å²	67	25.1 Å²	25.1	29%	0.294	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-25.6	-177.6	-170	-121.5	0	0	0	112.9	P313 L317 D829 F834 V855 Y856 E859	P313-F827 HydrophobicContact CB-CD1 3.93Å; P313-F827 HydrophobicContact CB-CE1 3.61Å; P313-F827 HydrophobicContact CB-CZ 4.27Å; P313-F827 HydrophobicContact CG-CD1 4.01Å; P313-F827 HydrophobicContact CG-CE1 3.58Å; P313-F827 HydrophobicContact CG-CE2 4.29Å; P313-F827 HydrophobicContact CG-CZ 3.74Å; L317-F827 HydrophobicContact CD2-CD1 4.22Å; L317-F827 HydrophobicContact CD2-CE1 4.42Å; F827-D829 VanDerWaalsContact C-N 3.34Å; F827-F834 AromaticContact CD2-CD1 3.91Å; F827-F834 HydrophobicContact CD2-CD1 3.91Å; F827-F834 HydrophobicContact CD2-CD2 4.26Å; F827-F834 HydrophobicContact CD2-CE1 4.1Å; F827-F834 HydrophobicContact CD2-CE2 4.42Å; F827-F834 HydrophobicContact CD2-CG 4Å; F827-F834 HydrophobicContact CD2-CZ 4.35Å; F827-F834 AromaticContact CE2-CD1 3.98Å; F827-F834 HydrophobicContact CE2-CD1 3.98Å; F827-F834 HydrophobicContact CE2-CE1 4.12Å; F827-F834 HydrophobicContact CE2-CG 4.48Å; F827-V855 HydrophobicContact CB-CG1 3.77Å; F827-V855 HydrophobicContact CD2-CG1 4.17Å; F827-V855 HydrophobicContact CG-CG1 4.25Å; F827-Y856 PolarHBondContact N-O 2.58Å; F827-E859 PolarHBondContact N-O 3.09Å
828	L	98	Very high	98.4	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.026	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	8.4	-177.5	-48.2	-178.6	0	0	0	112.4	V312 P313 P315 L317 E830 P857 E859 R860	V312-L828 WeakPolarHBondContact CG1-O 3.31Å; P313-L828 HydrophobicContact CB-CD2 3.97Å; P313-L828 WeakPolarHBondContact O-CD2 3.19Å; P315-L828 HydrophobicContact CB-CD1 3.95Å; P315-L828 HydrophobicContact CG-CD1 4.18Å; L317-L828 HydrophobicContact CD2-CD2 4.04Å; L828-E830 PolarHBondContact O-N 2.88Å; L828-P857 WeakPolarHBondContact CD2-O 3.23Å; L828-P857 VanDerWaalsContact CG-O 3.29Å; L828-P857 WeakPolarHBondContact CG-O 3.48Å; L828-E859 WeakPolarHBondContact CB-O 3.17Å; L828-E859 PolarHBondContact N-O 2.8Å; L828-R860 HydrophobicContact CB-CG 3.83Å
829	D	98.5	Very high	98.5	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.112	C	C	.	.			trans	-61.3	108	-172.8	-163.4	-26.4	0	0	0	111.3	H825 F827 N831 V832 H833 H861	H825-D829 IonicContact CD2-OD2 2.65Å; H825-D829 IonicContact NE2-OD2 2.82Å; F827-D829 VanDerWaalsContact C-N 3.34Å; D829-N831 WeakPolarHBondContact OD1-CA 3.46Å; D829-N831 PolarHBondContact OD1-N 3.24Å; D829-V832 WeakPolarHBondContact CB-O 3.29Å; D829-V832 PolarHBondContact OD1-N 3.27Å; D829-H833 WeakPolarHBondContact O-CA 3.33Å; D829-H861 WeakPolarHBondContact OD1-CB 3.32Å; D829-H861 IonicContact OD1-CG 3.58Å; D829-H861 IonicContact OD1-ND1 2.76Å; D829-H861 PolarHBondContact OD1-ND1 3.17Å; D829-H861 VanDerWaalsContact OD2-CA 3.22Å; D829-H861 WeakPolarHBondContact OD2-CA 3.42Å; D829-H861 IonicContact OD2-CE1 3.43Å; D829-H861 IonicContact OD2-CG 3.99Å; D829-H861 IonicContact OD2-ND1 3.2Å; D829-H861 PolarHBondContact OD2-ND1 3.16Å
830	E	96.9	Very high	98.5	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.009	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-2.8	176.7	79.7	-70.1	173.5	0	0	113.3	L150 E153 R154 V312 Y325 L828 H833 R860	L150-E830 HydrophobicContact CD2-CG 4.04Å; E153-E830 WeakPolarHBondContact CG-OE1 3.49Å; R154-E830 IonicContact CZ-OE1 3Å; R154-E830 IonicContact NH1-OE1 3.88Å; R154-E830 PolarHBondContact NH1-OE1 2.95Å; R154-E830 IonicContact NH2-OE1 2.8Å; R154-E830 PolarHBondContact NH2-OE1 3.14Å; V312-E830 HydrophobicContact CG1-CB 4.29Å; V312-E830 HydrophobicContact CG2-CB 4.17Å; Y325-E830 HydrophobicContact CE1-CB 4.36Å; Y325-E830 HydrophobicContact CE1-CG 4.44Å; L828-E830 PolarHBondContact O-N 2.88Å; E830-H833 PolarHBondContact O-CE1 2.57Å; E830-H833 PolarHBondContact O-ND1 2.94Å; E830-R860 VanDerWaalsContact CD-NH1 3.25Å; E830-R860 IonicContact OE1-NH1 3.73Å; E830-R860 WeakPolarHBondContact OE2-CB 3.2Å; E830-R860 WeakPolarHBondContact OE2-CD 3.12Å; E830-R860 WeakPolarHBondContact OE2-CG 3.32Å; E830-R860 IonicContact OE2-CZ 2.68Å; E830-R860 IonicContact OE2-NE 3.76Å; E830-R860 IonicContact OE2-NH1 2.64Å; E830-R860 PolarHBondContact OE2-NH1 3.39Å
831	N	97.6	Very high	98.5	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.011	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-75.6	175.9	-178.6	35	0	0	0	110.3	E271 Y783 D829 H833 H861	E271-N831 PolarHBondContact OE1-ND2 3.35Å; E271-N831 PolarHBondContact OE1-OD1 3.17Å; Y783-N831 PolarHBondContact OH-ND2 2.81Å; Y783-N831 VanDerWaalsContact OH-ND2 3.09Å; Y783-N831 PolarHBondContact OH-OD1 2.88Å; D829-N831 WeakPolarHBondContact OD1-CA 3.46Å; D829-N831 PolarHBondContact OD1-N 3.24Å; N831-H833 PolarHBondContact O-CE1 2.7Å; N831-H833 PolarHBondContact O-N 2.9Å; N831-H833 PolarHBondContact O-ND1 2.83Å; N831-H861 HydrophobicContact CB-CB 4.13Å
832	V	98.4	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	89.9	170.4	-178.3	0	0	0	0	106.7	V777 Y783 H825 D829 F834 H836 H861	V777-V832 HydrophobicContact CG2-CG1 4.1Å; V777-V832 HydrophobicContact CG2-CG2 3.95Å; Y783-V832 HydrophobicContact CD2-CG2 4.45Å; Y783-V832 HydrophobicContact CE2-CB 4.37Å; Y783-V832 HydrophobicContact CE2-CG2 3.58Å; H825-V832 PolarHBondContact NE2-O 3.36Å; D829-V832 WeakPolarHBondContact CB-O 3.29Å; D829-V832 PolarHBondContact OD1-N 3.27Å; V832-F834 PolarHBondContact O-N 2.99Å; V832-H836 HydrophobicContact CG1-CB 4.33Å; V832-H836 VanDerWaalsContact CG1-CD2 3.47Å; V832-H836 WeakPolarHBondContact CG1-CD2 3.4Å; V832-H861 WeakPolarHBondContact CG2-CE1 3.28Å
833	H	98.1	Very high	98.5	Very high	18 Å²	18	23.3 Å²	23.3	8%	0.083	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	143.4	-172.8	-50.7	-29.6	0	0	0	112.9	I310 Y327 D829 E830 N831 F835 H836	I310-H833 WeakPolarHBondContact CD1-CE1 3.44Å; I310-H833 WeakPolarHBondContact CD1-NE2 3.33Å; Y327-H833 AromaticContact CD1-NE2 3.54Å; Y327-H833 AromaticContact CD2-CE1 3.6Å; Y327-H833 AromaticContact CD2-NE2 3.59Å; Y327-H833 AromaticContact CE1-NE2 3.32Å; Y327-H833 VanDerWaalsContact CE1-NE2 3.32Å; Y327-H833 WeakPolarHBondContact CE1-NE2 3.2Å; Y327-H833 AromaticContact CE2-CE1 3.32Å; Y327-H833 WeakPolarHBondContact CE2-CE1 3.36Å; Y327-H833 AromaticContact CE2-NE2 3.37Å; Y327-H833 WeakPolarHBondContact CE2-NE2 3.38Å; Y327-H833 AromaticContact CG-NE2 3.65Å; Y327-H833 AromaticContact CZ-CE1 3.6Å; Y327-H833 AromaticContact CZ-NE2 3.21Å; D829-H833 WeakPolarHBondContact O-CA 3.33Å; E830-H833 PolarHBondContact O-CE1 2.57Å; E830-H833 PolarHBondContact O-ND1 2.94Å; N831-H833 PolarHBondContact O-CE1 2.7Å; N831-H833 PolarHBondContact O-N 2.9Å; N831-H833 PolarHBondContact O-ND1 2.83Å; H833-F835 HydrophobicContact CB-CB 4.03Å; H833-F835 PolarHBondContact O-N 2.94Å; H833-H836 WeakPolarHBondContact O-CB 2.9Å; H833-H836 PolarHBondContact O-CD2 2.88Å; H833-H836 VanDerWaalsContact O-CD2 3.29Å; H833-H836 PolarHBondContact O-N 2.89Å
834	F	98.6	Very high	98.5	Very high	36 Å²	36	23.3 Å²	23.3	16%	0.158	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-19.7	173.6	-170.6	-101.2	0	0	0	112.8	H825 F827 V832 H836 T837 N838 V855	H825-F834 HydrophobicContact CB-CD2 3.77Å; H825-F834 HydrophobicContact CB-CE2 3.82Å; H825-F834 AromaticContact CG-CD2 3.86Å; F827-F834 AromaticContact CD2-CD1 3.91Å; F827-F834 HydrophobicContact CD2-CD1 3.91Å; F827-F834 HydrophobicContact CD2-CD2 4.26Å; F827-F834 HydrophobicContact CD2-CE1 4.1Å; F827-F834 HydrophobicContact CD2-CE2 4.42Å; F827-F834 HydrophobicContact CD2-CG 4Å; F827-F834 HydrophobicContact CD2-CZ 4.35Å; F827-F834 AromaticContact CE2-CD1 3.98Å; F827-F834 HydrophobicContact CE2-CD1 3.98Å; F827-F834 HydrophobicContact CE2-CE1 4.12Å; F827-F834 HydrophobicContact CE2-CG 4.48Å; V832-F834 PolarHBondContact O-N 2.99Å; F834-H836 PolarHBondContact O-N 2.86Å; F834-T837 HydrophobicContact CE2-CG2 4.1Å; F834-T837 HydrophobicContact CZ-CG2 4.22Å; F834-T837 PolarHBondContact O-N 2.81Å; F834-T837 VanDerWaalsContact O-N 3.15Å; F834-N838 HydrophobicContact CD1-CB 4.36Å; F834-N838 HydrophobicContact CE1-CB 4.34Å; F834-N838 PolarHBondContact O-N 3.12Å; F834-V855 HydrophobicContact CE2-CG1 4.2Å; F834-V855 HydrophobicContact CE2-CG2 3.97Å; F834-V855 HydrophobicContact CZ-CG2 3.89Å
835	F	98.6	Very high	98.5	Very high	97 Å²	97	28.3 Å²	28.3	43%	0.425	14%	0.141	S	C	.	.	H	α-helix	trans	-44.8	-42.2	165.5	171	-100.3	0	0	0	113	A782 H833 T837 N838 F839	A782-F835 HydrophobicContact CB-CD1 3.96Å; A782-F835 HydrophobicContact CB-CE1 3.74Å; H833-F835 HydrophobicContact CB-CB 4.03Å; H833-F835 PolarHBondContact O-N 2.94Å; F835-T837 PolarHBondContact O-N 2.65Å; F835-N838 PolarHBondContact O-N 2.85Å; F835-F839 HydrophobicContact CD2-CB 4.48Å; F835-F839 HydrophobicContact CE1-CB 4.25Å; F835-F839 HydrophobicContact CE2-CB 4.04Å; F835-F839 HydrophobicContact CE2-CD2 4.23Å; F835-F839 HydrophobicContact CE2-CG 4.39Å; F835-F839 HydrophobicContact CZ-CB 3.91Å; F835-F839 AromaticContact CZ-CD2 4Å; F835-F839 HydrophobicContact CZ-CD2 4Å; F835-F839 AromaticContact CZ-CG 3.98Å; F835-F839 HydrophobicContact CZ-CG 3.98Å; F835-F839 VanDerWaalsContact O-CB 3.25Å; F835-F839 WeakPolarHBondContact O-CB 3.47Å; F835-F839 PolarHBondContact O-N 3.03Å
836	H	98.8	Very high	98.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.7	-48	179.8	-75.2	-74.5	0	0	0	112.4	P776 T778 V779 V832 H833 F834 L840	P776-H836 WeakPolarHBondContact O-CB 3.47Å; T778-H836 HydrophobicContact CG2-CB 4.11Å; T778-H836 WeakPolarHBondContact CG2-O 3.18Å; T778-H836 PolarHBondContact N-ND1 3.29Å; T778-H836 VanDerWaalsContact N-ND1 3.19Å; T778-H836 VanDerWaalsContact OG1-C 3.23Å; T778-H836 WeakPolarHBondContact OG1-CA 3.24Å; T778-H836 WeakPolarHBondContact OG1-CB 3.49Å; T778-H836 PolarHBondContact OG1-ND1 2.77Å; T778-H836 PolarHBondContact OG1-O 2.88Å; V779-H836 PolarHBondContact O-CE1 3.3Å; V779-H836 VanDerWaalsContact O-CE1 3.22Å; V832-H836 HydrophobicContact CG1-CB 4.33Å; V832-H836 VanDerWaalsContact CG1-CD2 3.47Å; V832-H836 WeakPolarHBondContact CG1-CD2 3.4Å; H833-H836 WeakPolarHBondContact O-CB 2.9Å; H833-H836 PolarHBondContact O-CD2 2.88Å; H833-H836 VanDerWaalsContact O-CD2 3.29Å; H833-H836 PolarHBondContact O-N 2.89Å; F834-H836 PolarHBondContact O-N 2.86Å; H836-L840 WeakPolarHBondContact O-CB 3.4Å; H836-L840 PolarHBondContact O-N 2.83Å; H836-L840 VanDerWaalsContact O-N 3.08Å
837	T	98.8	Very high	98.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.2	-43.5	176	-79.4	0	0	0	0	111.3	I823 H825 F834 F835 F839 L840 V841 L853	I823-T837 HydrophobicContact CG2-CG2 3.78Å; I823-T837 WeakPolarHBondContact CG2-OG1 3.31Å; H825-T837 WeakPolarHBondContact ND1-CB 3.38Å; H825-T837 PolarHBondContact ND1-OG1 2.82Å; F834-T837 HydrophobicContact CE2-CG2 4.1Å; F834-T837 HydrophobicContact CZ-CG2 4.22Å; F834-T837 PolarHBondContact O-N 2.81Å; F834-T837 VanDerWaalsContact O-N 3.15Å; F835-T837 PolarHBondContact O-N 2.65Å; T837-F839 VanDerWaalsContact C-N 3.34Å; T837-F839 PolarHBondContact O-N 2.66Å; T837-L840 PolarHBondContact O-N 3.08Å; T837-V841 HydrophobicContact CG2-CG2 4.31Å; T837-V841 WeakPolarHBondContact O-CB 3.12Å; T837-V841 VanDerWaalsContact O-CG2 3.32Å; T837-V841 WeakPolarHBondContact O-CG2 3.26Å; T837-V841 PolarHBondContact O-N 3.11Å; T837-L853 HydrophobicContact CG2-CD1 3.65Å; T837-L853 HydrophobicContact CG2-CD2 4.49Å
838	N	98.7	Very high	98.4	Very high	97 Å²	97	39.3 Å²	39.3	52%	0.519	21%	0.209	S	C	.	.	H	α-helix	trans	-60.9	-43	-179.8	-171	44.1	0	0	0	112.1	F834 F835 V841 S842	F834-N838 HydrophobicContact CD1-CB 4.36Å; F834-N838 HydrophobicContact CE1-CB 4.34Å; F834-N838 PolarHBondContact O-N 3.12Å; F835-N838 PolarHBondContact O-N 2.85Å; N838-V841 PolarHBondContact O-N 2.9Å; N838-S842 PolarHBondContact O-N 2.87Å
839	F	98.8	Very high	98.4	Very high	60 Å²	60	40.8 Å²	40.8	26%	0.263	22%	0.215	S	C	.	.	H	α-helix	trans	-66.7	-45.1	177	-173.7	-103	0	0	0	111.5	V779 A808 F835 T837 V841 S842 Q843	V779-F839 HydrophobicContact CG2-CD1 3.47Å; V779-F839 VanDerWaalsContact CG2-CD1 3.47Å; V779-F839 HydrophobicContact CG2-CE1 3.65Å; A808-F839 HydrophobicContact CB-CD1 3.64Å; A808-F839 HydrophobicContact CB-CE1 3.72Å; F835-F839 HydrophobicContact CD2-CB 4.48Å; F835-F839 HydrophobicContact CE1-CB 4.25Å; F835-F839 HydrophobicContact CE2-CB 4.04Å; F835-F839 HydrophobicContact CE2-CD2 4.23Å; F835-F839 HydrophobicContact CE2-CG 4.39Å; F835-F839 HydrophobicContact CZ-CB 3.91Å; F835-F839 AromaticContact CZ-CD2 4Å; F835-F839 HydrophobicContact CZ-CD2 4Å; F835-F839 AromaticContact CZ-CG 3.98Å; F835-F839 HydrophobicContact CZ-CG 3.98Å; F835-F839 VanDerWaalsContact O-CB 3.25Å; F835-F839 WeakPolarHBondContact O-CB 3.47Å; F835-F839 PolarHBondContact O-N 3.03Å; T837-F839 VanDerWaalsContact C-N 3.34Å; T837-F839 PolarHBondContact O-N 2.66Å; F839-V841 VanDerWaalsContact C-N 3.35Å; F839-V841 PolarHBondContact O-N 2.68Å; F839-S842 WeakPolarHBondContact O-CB 3.24Å; F839-S842 PolarHBondContact O-N 3.1Å; F839-Q843 HydrophobicContact CD1-CG 4.3Å; F839-Q843 HydrophobicContact CE1-CG 3.97Å; F839-Q843 HydrophobicContact CZ-CG 4.22Å; F839-Q843 WeakPolarHBondContact O-CG 3.31Å; F839-Q843 PolarHBondContact O-N 3.18Å
840	L	98.8	Very high	98.4	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-58.1	-46.2	175	175.4	63.2	0	0	0	111.7	L758 T778 V807 A808 V811 I823 H836 T837 S842 Q843 I844	L758-L840 HydrophobicContact CD1-CD2 3.68Å; L758-L840 HydrophobicContact CD2-CD2 4.31Å; T778-L840 HydrophobicContact CG2-CB 3.89Å; T778-L840 HydrophobicContact CG2-CD2 3.76Å; T778-L840 HydrophobicContact CG2-CG 4.35Å; V807-L840 HydrophobicContact CG2-CD1 4.46Å; A808-L840 HydrophobicContact CB-CD1 4.34Å; V811-L840 HydrophobicContact CG1-CD1 3.65Å; I823-L840 HydrophobicContact CD1-CD2 3.89Å; H836-L840 WeakPolarHBondContact O-CB 3.4Å; H836-L840 PolarHBondContact O-N 2.83Å; H836-L840 VanDerWaalsContact O-N 3.08Å; T837-L840 PolarHBondContact O-N 3.08Å; L840-S842 VanDerWaalsContact C-N 3.33Å; L840-S842 PolarHBondContact O-N 3.22Å; L840-Q843 PolarHBondContact O-N 2.92Å; L840-Q843 VanDerWaalsContact O-N 3.11Å; L840-I844 HydrophobicContact CD1-CD1 3.97Å; L840-I844 HydrophobicContact CD1-CG1 4.11Å; L840-I844 HydrophobicContact CD2-CD1 4.35Å; L840-I844 HydrophobicContact CG-CD1 3.78Å; L840-I844 HydrophobicContact CG-CG1 4.31Å; L840-I844 WeakPolarHBondContact O-CB 3.2Å; L840-I844 WeakPolarHBondContact O-CG1 3.38Å; L840-I844 PolarHBondContact O-N 3.36Å
841	V	98.8	Very high	98.5	Very high	13 Å²	13	46.5 Å²	46.5	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-59	-43.7	177	165.8	0	0	0	0	111.3	T837 N838 F839 Q843 I844 I845 Y851	T837-V841 HydrophobicContact CG2-CG2 4.31Å; T837-V841 WeakPolarHBondContact O-CB 3.12Å; T837-V841 VanDerWaalsContact O-CG2 3.32Å; T837-V841 WeakPolarHBondContact O-CG2 3.26Å; T837-V841 PolarHBondContact O-N 3.11Å; N838-V841 PolarHBondContact O-N 2.9Å; F839-V841 VanDerWaalsContact C-N 3.35Å; F839-V841 PolarHBondContact O-N 2.68Å; V841-Q843 VanDerWaalsContact C-N 3.31Å; V841-Q843 PolarHBondContact O-N 3.2Å; V841-I844 PolarHBondContact O-N 3.22Å; V841-I845 HydrophobicContact CG1-CD1 3.77Å; V841-I845 HydrophobicContact CG1-CG1 4.4Å; V841-I845 VanDerWaalsContact O-CG1 3.27Å; V841-I845 WeakPolarHBondContact O-CG1 2.87Å; V841-I845 PolarHBondContact O-N 2.83Å; V841-Y851 HydrophobicContact CG1-CE1 4.16Å; V841-Y851 HydrophobicContact CG1-CE2 4.01Å; V841-Y851 VanDerWaalsContact CG1-OH 3.23Å; V841-Y851 WeakPolarHBondContact CG1-OH 3.44Å; V841-Y851 HydrophobicContact CG2-CD2 4.16Å; V841-Y851 HydrophobicContact CG2-CE2 3.75Å
842	S	98.7	Very high	98.6	Very high	43 Å²	43	48.7 Å²	48.7	30%	0.301	25%	0.252	S	S	.	.	H	α-helix	trans	-57.3	-43.5	173.9	165.4	0	0	0	0	112.1	N838 F839 L840 R846	N838-S842 PolarHBondContact O-N 2.87Å; F839-S842 WeakPolarHBondContact O-CB 3.24Å; F839-S842 PolarHBondContact O-N 3.1Å; L840-S842 VanDerWaalsContact C-N 3.33Å; L840-S842 PolarHBondContact O-N 3.22Å; S842-R846 VanDerWaalsContact O-CG 3.31Å; S842-R846 WeakPolarHBondContact O-CG 3.16Å; S842-R846 PolarHBondContact O-N 3.27Å; S842-R846 VanDerWaalsContact O-N 3.11Å
843	Q	98.7	Very high	98.6	Very high	43 Å²	43	51.3 Å²	51.3	20%	0.201	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-41.9	178.6	-61.4	-53	-31.7	0	0	112.2	A808 V811 F839 L840 V841 I845 R846 A847	A808-Q843 HydrophobicContact CB-CG 4.4Å; A808-Q843 WeakPolarHBondContact O-CG 3.28Å; V811-Q843 HydrophobicContact CB-CB 4.42Å; V811-Q843 HydrophobicContact CG1-CB 3.8Å; V811-Q843 HydrophobicContact CG2-CB 3.86Å; F839-Q843 HydrophobicContact CD1-CG 4.3Å; F839-Q843 HydrophobicContact CE1-CG 3.97Å; F839-Q843 HydrophobicContact CZ-CG 4.22Å; F839-Q843 WeakPolarHBondContact O-CG 3.31Å; F839-Q843 PolarHBondContact O-N 3.18Å; L840-Q843 PolarHBondContact O-N 2.92Å; L840-Q843 VanDerWaalsContact O-N 3.11Å; V841-Q843 VanDerWaalsContact C-N 3.31Å; V841-Q843 PolarHBondContact O-N 3.2Å; Q843-I845 VanDerWaalsContact C-N 3.33Å; Q843-I845 PolarHBondContact O-N 3.14Å; Q843-R846 PolarHBondContact O-N 3.12Å; Q843-A847 WeakPolarHBondContact O-CB 3.37Å; Q843-A847 PolarHBondContact O-N 3.03Å
844	I	98.6	Very high	98.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-45.1	174.8	-74.8	175.8	0	0	0	111.1	V811 L814 L821 I823 L840 V841 A847 G848 K849 Y851	V811-I844 HydrophobicContact CB-CG1 4.39Å; V811-I844 HydrophobicContact CG1-CG1 3.98Å; L814-I844 HydrophobicContact CD1-CD1 3.91Å; L814-I844 HydrophobicContact CD1-CG1 3.81Å; L821-I844 HydrophobicContact CD2-CD1 3.95Å; I823-I844 HydrophobicContact CD1-CD1 4.25Å; L840-I844 HydrophobicContact CD1-CD1 3.97Å; L840-I844 HydrophobicContact CD1-CG1 4.11Å; L840-I844 HydrophobicContact CD2-CD1 4.35Å; L840-I844 HydrophobicContact CG-CD1 3.78Å; L840-I844 HydrophobicContact CG-CG1 4.31Å; L840-I844 WeakPolarHBondContact O-CB 3.2Å; L840-I844 WeakPolarHBondContact O-CG1 3.38Å; L840-I844 PolarHBondContact O-N 3.36Å; V841-I844 PolarHBondContact O-N 3.22Å; I844-A847 CarbonylContact O-C 3.59Å; I844-A847 PolarHBondContact O-N 2.82Å; I844-G848 PolarHBondContact O-N 3.24Å; I844-G848 VanDerWaalsContact O-N 3.11Å; I844-K849 HydrophobicContact CG2-CB 3.97Å; I844-K849 WeakPolarHBondContact CG2-O 3.41Å; I844-K849 PolarHBondContact O-N 2.89Å; I844-Y851 HydrophobicContact CG2-CD1 3.47Å; I844-Y851 VanDerWaalsContact CG2-CD1 3.47Å; I844-Y851 HydrophobicContact CG2-CE1 4.2Å; I844-Y851 HydrophobicContact CG2-CG 4.12Å
845	I	98.6	Very high	98.6	Very high	106 Å²	106	54.1 Å²	54.1	54%	0.544	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-47	176.7	-70.3	166.5	0	0	0	110.6	V841 Q843 A847 G848 Y851	V841-I845 HydrophobicContact CG1-CD1 3.77Å; V841-I845 HydrophobicContact CG1-CG1 4.4Å; V841-I845 VanDerWaalsContact O-CG1 3.27Å; V841-I845 WeakPolarHBondContact O-CG1 2.87Å; V841-I845 PolarHBondContact O-N 2.83Å; Q843-I845 VanDerWaalsContact C-N 3.33Å; Q843-I845 PolarHBondContact O-N 3.14Å; I845-A847 VanDerWaalsContact C-N 3.26Å; I845-A847 PolarHBondContact O-N 2.96Å; I845-G848 PolarHBondContact O-N 2.77Å; I845-Y851 HydrophobicContact CG1-CE1 4.2Å
846	R	98.4	Very high	98.6	Very high	195 Å²	195	49.9 Å²	49.9	74%	0.736	26%	0.264	S	S	*	.	H	α-helix	trans	-60.4	-36.6	178.1	-72.3	172.1	-177.7	-134.2	0.4	112.4	S842 Q843 G848	S842-R846 VanDerWaalsContact O-CG 3.31Å; S842-R846 WeakPolarHBondContact O-CG 3.16Å; S842-R846 PolarHBondContact O-N 3.27Å; S842-R846 VanDerWaalsContact O-N 3.11Å; Q843-R846 PolarHBondContact O-N 3.12Å; R846-G848 VanDerWaalsContact C-N 3.28Å; R846-G848 PolarHBondContact O-N 3.04Å
847	A	98.4	Very high	98.6	Very high	41 Å²	41	52.6 Å²	52.6	34%	0.339	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.1	177.5	0	0	0	0	0	113.9	V811 Q843 I844 I845 K849	V811-A847 HydrophobicContact CB-CB 4.47Å; V811-A847 HydrophobicContact CG2-CB 3.84Å; Q843-A847 WeakPolarHBondContact O-CB 3.37Å; Q843-A847 PolarHBondContact O-N 3.03Å; I844-A847 CarbonylContact O-C 3.59Å; I844-A847 PolarHBondContact O-N 2.82Å; I845-A847 VanDerWaalsContact C-N 3.26Å; I845-A847 PolarHBondContact O-N 2.96Å; A847-K849 VanDerWaalsContact C-N 3.31Å; A847-K849 HydrophobicContact CB-CG 3.91Å; A847-K849 PolarHBondContact O-N 3.37Å
848	G	98.2	Very high	98.4	Very high	66 Å²	66	57.4 Å²	57.4	68%	0.68	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	28.9	-178.9	0	0	0	0	0	114	I844 I845 R846	I844-G848 PolarHBondContact O-N 3.24Å; I844-G848 VanDerWaalsContact O-N 3.11Å; I845-G848 PolarHBondContact O-N 2.77Å; R846-G848 VanDerWaalsContact C-N 3.28Å; R846-G848 PolarHBondContact O-N 3.04Å
849	K	98.5	Very high	98.4	Very high	35 Å²	35	53.1 Å²	53.1	15%	0.152	29%	0.285	C	S	.	.			trans	-96.8	145	-176.4	-60.5	-67.5	-177.3	161.4	0	111.7	D812 L814 S816 I844 A847	D812-K849 VanDerWaalsContact O-CE 3.28Å; D812-K849 WeakPolarHBondContact O-CE 3.36Å; D812-K849 PolarHBondContact O-NZ 3.26Å; L814-K849 WeakPolarHBondContact O-CE 3.4Å; L814-K849 PolarHBondContact O-NZ 2.94Å; S816-K849 PolarHBondContact OG-NZ 2.74Å; I844-K849 HydrophobicContact CG2-CB 3.97Å; I844-K849 WeakPolarHBondContact CG2-O 3.41Å; I844-K849 PolarHBondContact O-N 2.89Å; A847-K849 VanDerWaalsContact C-N 3.31Å; A847-K849 HydrophobicContact CB-CG 3.91Å; A847-K849 PolarHBondContact O-N 3.37Å
850	P	98.4	Very high	98.3	Very high	40 Å²	40	51.2 Å²	51.2	26%	0.26	28%	0.276	S	S	.	.			trans	-82	149.6	177.8	33	-34.2	0	0	0	112.3	E817 P818	E817-P850 WeakPolarHBondContact O-CG 3.22Å; P818-P850 HydrophobicContact CB-CB 3.92Å; P818-P850 HydrophobicContact CB-CG 4.17Å
851	Y	98.6	Very high	98.3	Very high	84 Å²	84	52.6 Å²	52.6	33%	0.329	28%	0.282	S	S	.	.			trans	-152.5	159	174.3	70.4	-78	0	0	0	110.9	V841 I844 I845 L853	V841-Y851 HydrophobicContact CG1-CE1 4.16Å; V841-Y851 HydrophobicContact CG1-CE2 4.01Å; V841-Y851 VanDerWaalsContact CG1-OH 3.23Å; V841-Y851 WeakPolarHBondContact CG1-OH 3.44Å; V841-Y851 HydrophobicContact CG2-CD2 4.16Å; V841-Y851 HydrophobicContact CG2-CE2 3.75Å; I844-Y851 HydrophobicContact CG2-CD1 3.47Å; I844-Y851 VanDerWaalsContact CG2-CD1 3.47Å; I844-Y851 HydrophobicContact CG2-CE1 4.2Å; I844-Y851 HydrophobicContact CG2-CG 4.12Å; I845-Y851 HydrophobicContact CG1-CE1 4.2Å; Y851-L853 HydrophobicContact CD2-CB 4.1Å; Y851-L853 HydrophobicContact CE2-CB 3.92Å
852	Q	98.8	Very high	98	Very high	47 Å²	47	53.6 Å²	53.6	22%	0.22	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.2	162.9	-62.2	-173.6	11.9	0	0	109.1	N819 L821 L822 I823 F879	N819-Q852 PolarHBondContact OD1-NE2 3.29Å; L821-Q852 PolarHBondContact O-N 3.45Å; L822-Q852 HydrophobicContact CD1-CB 3.82Å; I823-Q852 PolarHBondContact N-O 2.78Å; Q852-F879 VanDerWaalsContact OE1-CE2 3.31Å
853	L	98.8	Very high	97.7	Very high	55 Å²	55	54.4 Å²	54.4	29%	0.288	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134.8	-177.5	173.8	64	0	0	0	109.8	I823 T837 Y851 V855	I823-L853 HydrophobicContact CB-CD1 3.99Å; I823-L853 HydrophobicContact CG2-CD1 3.88Å; I823-L853 CarbonylContact O-C 3.54Å; I823-L853 WeakPolarHBondContact O-CA 3.32Å; T837-L853 HydrophobicContact CG2-CD1 3.65Å; T837-L853 HydrophobicContact CG2-CD2 4.49Å; Y851-L853 HydrophobicContact CD2-CB 4.1Å; Y851-L853 HydrophobicContact CE2-CB 3.92Å; L853-V855 HydrophobicContact CD1-CG2 4.35Å; L853-V855 HydrophobicContact CD2-CG2 4.15Å; L853-V855 HydrophobicContact CG-CG2 4.09Å
854	Q	98.8	Very high	97.2	Very high	60 Å²	60	56.6 Å²	56.6	28%	0.28	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129	165.4	-65.1	-74.2	48.5	0	0	110.7	L822 I823 L824 H825 M875	L822-Q854 HydrophobicContact CD1-CG 4.23Å; I823-Q854 PolarHBondContact O-N 2.76Å; L824-Q854 WeakPolarHBondContact CA-O 3.41Å; L824-Q854 HydrophobicContact CD2-CB 3.68Å; L824-Q854 HydrophobicContact CD2-CG 4.24Å; H825-Q854 PolarHBondContact N-O 2.94Å; H825-Q854 VanDerWaalsContact N-O 3.16Å; Q854-M875 HydrophobicContact CG-CG 4.08Å; Q854-M875 HydrophobicContact CG-SD 4.29Å; Q854-M875 PolarHBondContact NE2-SD 2.84Å
855	V	98.6	Very high	96.8	Very high	54 Å²	54	58.8 Å²	58.8	33%	0.327	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	137.2	179.7	-177.5	0	0	0	0	108.4	H825 F827 F834 L853 P857	H825-V855 WeakPolarHBondContact O-CA 3.34Å; F827-V855 HydrophobicContact CB-CG1 3.77Å; F827-V855 HydrophobicContact CD2-CG1 4.17Å; F827-V855 HydrophobicContact CG-CG1 4.25Å; F834-V855 HydrophobicContact CE2-CG1 4.2Å; F834-V855 HydrophobicContact CE2-CG2 3.97Å; F834-V855 HydrophobicContact CZ-CG2 3.89Å; L853-V855 HydrophobicContact CD1-CG2 4.35Å; L853-V855 HydrophobicContact CD2-CG2 4.15Å; L853-V855 HydrophobicContact CG-CG2 4.09Å; V855-P857 WeakPolarHBondContact O-CD 3.34Å
856	Y	98.6	Very high	96.3	Very high	7 Å²	7	57.6 Å²	57.6	3%	0.027	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	97	170.8	-60.9	-81.6	0	0	0	108.7	W750 L824 H825 F827 N858 E859 H871 Y872	W750-Y856 HydrophobicContact CH2-CD2 4.5Å; W750-Y856 HydrophobicContact CH2-CE2 4.22Å; L824-Y856 HydrophobicContact CB-CE2 4.18Å; L824-Y856 HydrophobicContact CD2-CE2 4.42Å; H825-Y856 PolarHBondContact O-N 3.41Å; F827-Y856 PolarHBondContact N-O 2.58Å; Y856-N858 VanDerWaalsContact C-N 3.27Å; Y856-N858 PolarHBondContact O-N 3.49Å; Y856-E859 HydrophobicContact CG-CG 4.48Å; Y856-E859 PolarHBondContact O-N 3.44Å; Y856-H871 AromaticContact CE1-ND1 3.91Å; Y856-Y872 WeakPolarHBondContact OH-CA 3.47Å; Y856-Y872 VanDerWaalsContact OH-CB 3.29Å; Y856-Y872 WeakPolarHBondContact OH-CB 3.2Å
857	P	97.6	Very high	96.1	Very high	58 Å²	58	54.2 Å²	54.2	38%	0.377	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.5	-165.3	-24.7	36.4	0	0	0	115	L317 L828 V855	L317-P857 HydrophobicContact CD1-CB 3.69Å; L828-P857 WeakPolarHBondContact CD2-O 3.23Å; L828-P857 VanDerWaalsContact CG-O 3.29Å; L828-P857 WeakPolarHBondContact CG-O 3.48Å; V855-P857 WeakPolarHBondContact O-CD 3.34Å
858	N	95.7	Very high	95.9	Very high	101 Å²	101	53 Å²	53	54%	0.54	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	5.6	-175.4	-58.4	-34.8	0	0	0	112.9	L317 Y856	L317-N858 VanDerWaalsContact CD1-OD1 3.31Å; L317-N858 WeakPolarHBondContact CD1-OD1 3.48Å; Y856-N858 VanDerWaalsContact C-N 3.27Å; Y856-N858 PolarHBondContact O-N 3.49Å
859	E	97.5	Very high	95.7	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.028	26%	0.263	C	S	.	.			trans	-108.3	145.9	-176.7	-54	-56.5	152.7	0	0	110.9	G826 F827 L828 Y856 I863 R864 C865 S868	G826-E859 CarbonylContact C-O 3.52Å; G826-E859 VanDerWaalsContact CA-O 3.28Å; G826-E859 WeakPolarHBondContact CA-O 3.34Å; F827-E859 PolarHBondContact N-O 3.09Å; L828-E859 WeakPolarHBondContact CB-O 3.17Å; L828-E859 PolarHBondContact N-O 2.8Å; Y856-E859 HydrophobicContact CG-CG 4.48Å; Y856-E859 PolarHBondContact O-N 3.44Å; E859-I863 HydrophobicContact CG-CG2 4.42Å; E859-I863 VanDerWaalsContact OE2-CA 3.32Å; E859-I863 WeakPolarHBondContact OE2-CA 3.29Å; E859-R864 PolarHBondContact OE2-N 2.93Å; E859-C865 WeakPolarHBondContact OE1-CB 3.44Å; E859-C865 PolarHBondContact OE1-N 2.8Å; E859-C865 PolarHBondContact OE2-N 3.24Å; E859-S868 WeakPolarHBondContact OE1-CB 3.21Å; E859-S868 PolarHBondContact OE1-OG 3.35Å
860	R	97.4	Very high	95.5	Very high	20 Å²	20	50.8 Å²	50.8	8%	0.075	27%	0.266	C	S	.	.	S	Bend	trans	-92.8	-141	171.7	-64.3	177.1	173.4	-88.5	5.1	109.1	L828 E830 S862	L828-R860 HydrophobicContact CB-CG 3.83Å; E830-R860 VanDerWaalsContact CD-NH1 3.25Å; E830-R860 IonicContact OE1-NH1 3.73Å; E830-R860 WeakPolarHBondContact OE2-CB 3.2Å; E830-R860 WeakPolarHBondContact OE2-CD 3.12Å; E830-R860 WeakPolarHBondContact OE2-CG 3.32Å; E830-R860 IonicContact OE2-CZ 2.68Å; E830-R860 IonicContact OE2-NE 3.76Å; E830-R860 IonicContact OE2-NH1 2.64Å; E830-R860 PolarHBondContact OE2-NH1 3.39Å; R860-S862 PolarHBondContact O-N 3.05Å
861	H	97.7	Very high	95.4	Very high	31 Å²	31	52.3 Å²	52.3	14%	0.144	27%	0.27	C	S	.	.	S	Bend	trans	-68.8	-18	172.4	-155.3	59.4	0	0	0	113.6	S751 D829 N831 V832	S751-H861 WeakPolarHBondContact CB-NE2 3.05Å; S751-H861 PolarHBondContact OG-NE2 3.04Å; S751-H861 VanDerWaalsContact OG-NE2 3.11Å; D829-H861 WeakPolarHBondContact OD1-CB 3.32Å; D829-H861 IonicContact OD1-CG 3.58Å; D829-H861 IonicContact OD1-ND1 2.76Å; D829-H861 PolarHBondContact OD1-ND1 3.17Å; D829-H861 VanDerWaalsContact OD2-CA 3.22Å; D829-H861 WeakPolarHBondContact OD2-CA 3.42Å; D829-H861 IonicContact OD2-CE1 3.43Å; D829-H861 IonicContact OD2-CG 3.99Å; D829-H861 IonicContact OD2-ND1 3.2Å; D829-H861 PolarHBondContact OD2-ND1 3.16Å; N831-H861 HydrophobicContact CB-CB 4.13Å; V832-H861 WeakPolarHBondContact CG2-CE1 3.28Å
862	S	92.9	Very high	95.4	Very high	34 Å²	34	48.6 Å²	48.6	24%	0.238	26%	0.255	C	S	.	.	S	Bend	trans	-112.2	150.5	175.5	66.3	0	0	0	0	111.4	E153 R860 R864	E153-S862 PolarHBondContact OE1-OG 3.49Å; E153-S862 PolarHBondContact OE2-OG 2.86Å; R860-S862 PolarHBondContact O-N 3.05Å; S862-R864 PolarHBondContact OG-NE 2.92Å
863	I	92.6	Very high	95.3	Very high	59 Å²	59	47.6 Å²	47.6	30%	0.303	25%	0.251	S	S	.	.			trans	-96.2	104.4	170.9	-58.3	179	0	0	0	108	W750 E859 Y872	W750-I863 HydrophobicContact CH2-CD1 3.81Å; W750-I863 HydrophobicContact CH2-CG1 4.5Å; W750-I863 HydrophobicContact CZ2-CD1 3.81Å; E859-I863 HydrophobicContact CG-CG2 4.42Å; E859-I863 VanDerWaalsContact OE2-CA 3.32Å; E859-I863 WeakPolarHBondContact OE2-CA 3.29Å; I863-Y872 HydrophobicContact CD1-CD1 4.18Å; I863-Y872 HydrophobicContact CD1-CG 4.19Å
864	R	88.9	Confident	95.2	Very high	89 Å²	89	45.3 Å²	45.3	34%	0.336	24%	0.239	S	C	.	.			trans	-100.1	-39	-178.5	-64.1	-171.6	179.5	-89.1	-1.6	112.6	R152 E153 L157 E859 S862 P866	R152-R864 PolarHBondContact O-NH2 3.43Å; R152-R864 VanDerWaalsContact O-NH2 3.1Å; E153-R864 IonicContact OE1-CZ 2.82Å; E153-R864 IonicContact OE1-NE 3.97Å; E153-R864 PolarHBondContact OE1-NE 3.17Å; E153-R864 IonicContact OE1-NH2 3.82Å; E153-R864 PolarHBondContact OE1-NH2 2.91Å; E153-R864 IonicContact OE2-NH2 2.71Å; L157-R864 PolarHBondContact O-NH1 2.92Å; E859-R864 PolarHBondContact OE2-N 2.93Å; S862-R864 PolarHBondContact OG-NE 2.92Å; R864-P866 WeakPolarHBondContact O-CD 3.5Å
865	C	89.9	Confident	95.2	Very high	47 Å²	47	43.2 Å²	43.2	32%	0.318	23%	0.229	S	C	.	.	S	Bend	trans	-68.6	123.3	179.7	-165.3	0	0	0	0	109.4	E859 E867 S868 G869	E859-C865 WeakPolarHBondContact OE1-CB 3.44Å; E859-C865 PolarHBondContact OE1-N 2.8Å; E859-C865 PolarHBondContact OE2-N 3.24Å; C865-E867 PolarHBondContact O-N 2.76Å; C865-E867 PolarHBondContact SG-OE2 3.39Å; C865-S868 PolarHBondContact O-N 3.28Å; C865-G869 PolarHBondContact O-N 3.46Å; C865-G869 VanDerWaalsContact O-N 3.16Å
866	P	88.2	Confident	95.2	Very high	81 Å²	81	40.9 Å²	40.9	53%	0.526	22%	0.215	S	C	.	.	H	α-helix	trans	-53.2	-42.1	179.3	-28	35.9	0	0	0	112.8	R65 R864 G869 E870	R65-P866 PolarHBondContact NH1-O 3.06Å; R864-P866 WeakPolarHBondContact O-CD 3.5Å; P866-G869 CarbonylContact O-C 3.45Å; P866-G869 WeakPolarHBondContact O-CA 3.29Å; P866-G869 PolarHBondContact O-N 2.99Å; P866-G869 VanDerWaalsContact O-N 3.14Å; P866-E870 WeakPolarHBondContact O-CG 3.38Å; P866-E870 PolarHBondContact O-N 3.49Å
867	E	93.1	Very high	95.2	Very high	124 Å²	124	40.9 Å²	40.9	58%	0.579	22%	0.215	S	C	*	.	H	α-helix	trans	-61.6	-44.3	-179.3	-67.9	80.9	173.7	0	0	111.9	C865 G869 E870 H871	C865-E867 PolarHBondContact O-N 2.76Å; C865-E867 PolarHBondContact SG-OE2 3.39Å; E867-G869 VanDerWaalsContact C-N 3.29Å; E867-G869 PolarHBondContact O-N 2.91Å; E867-E870 PolarHBondContact O-N 3.3Å; E867-H871 WeakPolarHBondContact O-CB 3.42Å; E867-H871 PolarHBondContact O-N 3.28Å
868	S	95.5	Very high	95.2	Very high	16 Å²	16	40.4 Å²	40.4	11%	0.112	21%	0.208	C	C	.	.	H	α-helix	trans	-60.6	-41.5	173.7	-61.9	0	0	0	0	111.1	E859 C865 H871 Y872	E859-S868 WeakPolarHBondContact OE1-CB 3.21Å; E859-S868 PolarHBondContact OE1-OG 3.35Å; C865-S868 PolarHBondContact O-N 3.28Å; S868-H871 PolarHBondContact O-N 3.26Å; S868-Y872 WeakPolarHBondContact O-CB 3.42Å; S868-Y872 PolarHBondContact O-N 3.11Å
869	G	93.4	Very high	95.4	Very high	7 Å²	7	35.6 Å²	35.6	7%	0.072	18%	0.182	C	C	.	.	H	α-helix	trans	-64.4	-41.7	176.1	0	0	0	0	0	113.1	R65 C865 P866 E867 Y872 E873	R65-G869 PolarHBondContact NH2-O 3.23Å; C865-G869 PolarHBondContact O-N 3.46Å; C865-G869 VanDerWaalsContact O-N 3.16Å; P866-G869 CarbonylContact O-C 3.45Å; P866-G869 WeakPolarHBondContact O-CA 3.29Å; P866-G869 PolarHBondContact O-N 2.99Å; P866-G869 VanDerWaalsContact O-N 3.14Å; E867-G869 VanDerWaalsContact C-N 3.29Å; E867-G869 PolarHBondContact O-N 2.91Å; G869-Y872 PolarHBondContact O-N 3.18Å; G869-E873 WeakPolarHBondContact O-CG 3.43Å; G869-E873 PolarHBondContact O-N 2.97Å; G869-E873 VanDerWaalsContact O-N 3.11Å
870	E	93.8	Very high	95.4	Very high	46 Å²	46	35.3 Å²	35.3	22%	0.215	18%	0.181	C	C	.	.	H	α-helix	trans	-63.9	-48.3	176.2	-67.9	-175.7	162.7	0	0	110.7	I61 H62 P866 E867 Y872 E873 I874	I61-E870 HydrophobicContact CG2-CG 4.5Å; H62-E870 VanDerWaalsContact CE1-CD 3.42Å; H62-E870 IonicContact CE1-OE1 2.82Å; H62-E870 PolarHBondContact CE1-OE1 3.33Å; H62-E870 IonicContact CE1-OE2 3.82Å; H62-E870 PolarHBondContact CE1-OE2 3.47Å; H62-E870 IonicContact ND1-OE1 3.2Å; H62-E870 PolarHBondContact ND1-OE1 3.03Å; H62-E870 VanDerWaalsContact ND1-OE1 3.08Å; H62-E870 IonicContact ND1-OE2 3.08Å; P866-E870 WeakPolarHBondContact O-CG 3.38Å; P866-E870 PolarHBondContact O-N 3.49Å; E867-E870 PolarHBondContact O-N 3.3Å; E870-Y872 VanDerWaalsContact C-N 3.31Å; E870-Y872 PolarHBondContact O-N 3.14Å; E870-E873 PolarHBondContact O-N 3.31Å; E870-I874 WeakPolarHBondContact O-CD1 3.41Å; E870-I874 WeakPolarHBondContact O-CG1 3.36Å; E870-I874 PolarHBondContact O-N 2.81Å
871	H	97.9	Very high	95.4	Very high	72 Å²	72	34.7 Å²	34.7	33%	0.333	18%	0.179	S	C	.	.	H	α-helix	trans	-59.4	-43	178.3	-177.3	-86	0	0	0	111.9	W54 Y856 E867 S868 E873 I874 M875	W54-H871 AromaticContact CH2-NE2 4Å; W54-H871 AromaticContact CZ2-CD2 3.91Å; W54-H871 AromaticContact CZ2-NE2 3.86Å; Y856-H871 AromaticContact CE1-ND1 3.91Å; E867-H871 WeakPolarHBondContact O-CB 3.42Å; E867-H871 PolarHBondContact O-N 3.28Å; S868-H871 PolarHBondContact O-N 3.26Å; H871-E873 PolarHBondContact O-N 2.98Å; H871-I874 PolarHBondContact O-N 3.07Å; H871-M875 VanDerWaalsContact O-CB 3.3Å; H871-M875 WeakPolarHBondContact O-CB 3.47Å; H871-M875 PolarHBondContact O-N 3.43Å
872	Y	97.8	Very high	95.4	Very high	6 Å²	6	36.6 Å²	36.6	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-55.6	-50.5	174.2	154.4	-116.4	0	0	0	112.4	H748 W750 L824 Y856 I863 S868 G869 E870 I874 M875 L876	H748-Y872 AromaticContact NE2-CZ 3.84Å; H748-Y872 PolarHBondContact NE2-OH 3.18Å; W750-Y872 AromaticContact CE2-CE2 3.98Å; W750-Y872 AromaticContact CZ2-CD2 3.81Å; W750-Y872 HydrophobicContact CZ2-CD2 3.81Å; W750-Y872 AromaticContact CZ2-CE2 3.74Å; W750-Y872 HydrophobicContact CZ2-CE2 3.74Å; W750-Y872 HydrophobicContact CZ2-CG 4.27Å; W750-Y872 AromaticContact NE1-CE2 3.58Å; W750-Y872 AromaticContact NE1-CZ 3.32Å; W750-Y872 VanDerWaalsContact NE1-CZ 3.32Å; W750-Y872 PolarHBondContact NE1-OH 3.26Å; W750-Y872 VanDerWaalsContact NE1-OH 3.12Å; L824-Y872 HydrophobicContact CD1-CD2 3.73Å; L824-Y872 HydrophobicContact CD1-CE2 3.73Å; Y856-Y872 WeakPolarHBondContact OH-CA 3.47Å; Y856-Y872 VanDerWaalsContact OH-CB 3.29Å; Y856-Y872 WeakPolarHBondContact OH-CB 3.2Å; I863-Y872 HydrophobicContact CD1-CD1 4.18Å; I863-Y872 HydrophobicContact CD1-CG 4.19Å; S868-Y872 WeakPolarHBondContact O-CB 3.42Å; S868-Y872 PolarHBondContact O-N 3.11Å; G869-Y872 PolarHBondContact O-N 3.18Å; E870-Y872 VanDerWaalsContact C-N 3.31Å; E870-Y872 PolarHBondContact O-N 3.14Å; Y872-I874 PolarHBondContact O-N 2.84Å; Y872-M875 PolarHBondContact O-N 2.92Å; Y872-L876 HydrophobicContact CE2-CB 4.34Å; Y872-L876 HydrophobicContact CE2-CD2 4.3Å; Y872-L876 WeakPolarHBondContact O-CB 3.44Å; Y872-L876 PolarHBondContact O-N 2.98Å
873	E	96.6	Very high	95.7	Very high	26 Å²	26	39.2 Å²	39.2	12%	0.121	19%	0.193	C	C	.	.	H	α-helix	trans	-64.4	-41.6	-178.6	-74.8	171.2	-167.3	0	0	111.6	I61 R65 G869 E870 H871 L876 L877	I61-E873 HydrophobicContact CD1-CB 3.81Å; I61-E873 HydrophobicContact CG1-CB 4.1Å; I61-E873 HydrophobicContact CG2-CB 4.26Å; I61-E873 VanDerWaalsContact CG2-OE2 3.31Å; I61-E873 WeakPolarHBondContact CG2-OE2 3.46Å; R65-E873 IonicContact CZ-OE1 2.99Å; R65-E873 IonicContact CZ-OE2 3.54Å; R65-E873 IonicContact NE-OE1 2.79Å; R65-E873 IonicContact NE-OE2 3.27Å; R65-E873 PolarHBondContact NE-OE2 2.95Å; R65-E873 IonicContact NH2-OE1 3.73Å; R65-E873 PolarHBondContact NH2-OE1 3.05Å; R65-E873 IonicContact NH2-OE2 3.44Å; R65-E873 PolarHBondContact NH2-OE2 2.86Å; R65-E873 VanDerWaalsContact NH2-OE2 3.16Å; G869-E873 WeakPolarHBondContact O-CG 3.43Å; G869-E873 PolarHBondContact O-N 2.97Å; G869-E873 VanDerWaalsContact O-N 3.11Å; E870-E873 PolarHBondContact O-N 3.31Å; H871-E873 PolarHBondContact O-N 2.98Å; E873-L876 PolarHBondContact O-N 3.37Å; E873-L877 WeakPolarHBondContact O-CG 3.49Å; E873-L877 PolarHBondContact O-N 3.34Å
874	I	97.8	Very high	95.8	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.036	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-45.6	177.2	-62.9	159.6	0	0	0	110.6	W54 L57 R58 I61 E870 H871 Y872 L876 L877 H878	W54-I874 HydrophobicContact CD2-CG2 3.69Å; W54-I874 HydrophobicContact CE3-CG2 3.88Å; W54-I874 HydrophobicContact CG-CG2 4.37Å; W54-I874 HydrophobicContact CH2-CB 4.42Å; W54-I874 HydrophobicContact CH2-CG2 3.77Å; W54-I874 HydrophobicContact CZ2-CB 4.24Å; W54-I874 HydrophobicContact CZ2-CG2 3.56Å; W54-I874 HydrophobicContact CZ3-CG2 3.92Å; L57-I874 HydrophobicContact CB-CG2 4.06Å; R58-I874 HydrophobicContact CB-CD1 3.82Å; R58-I874 HydrophobicContact CB-CG1 4.46Å; R58-I874 HydrophobicContact CG-CD1 3.72Å; I61-I874 HydrophobicContact CB-CG1 4.34Å; I61-I874 HydrophobicContact CG1-CG1 4.04Å; E870-I874 WeakPolarHBondContact O-CD1 3.41Å; E870-I874 WeakPolarHBondContact O-CG1 3.36Å; E870-I874 PolarHBondContact O-N 2.81Å; H871-I874 PolarHBondContact O-N 3.07Å; Y872-I874 PolarHBondContact O-N 2.84Å; I874-L876 PolarHBondContact O-N 3.45Å; I874-L877 PolarHBondContact O-N 2.84Å; I874-H878 VanDerWaalsContact O-CB 3.24Å; I874-H878 WeakPolarHBondContact O-CB 3.43Å; I874-H878 PolarHBondContact O-N 3.12Å
875	M	98.2	Very high	96.2	Very high	17 Å²	17	35.2 Å²	35.2	8%	0.084	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-42.2	178	-175.6	67.7	-119.8	0	0	111.7	W54 L822 Q854 H871 Y872 H878 F879	W54-M875 HydrophobicContact CH2-CB 4.23Å; W54-M875 HydrophobicContact CH2-SD 4.18Å; W54-M875 HydrophobicContact CZ3-SD 4.15Å; L822-M875 HydrophobicContact CD2-CG 4.37Å; Q854-M875 HydrophobicContact CG-CG 4.08Å; Q854-M875 HydrophobicContact CG-SD 4.29Å; Q854-M875 PolarHBondContact NE2-SD 2.84Å; H871-M875 VanDerWaalsContact O-CB 3.3Å; H871-M875 WeakPolarHBondContact O-CB 3.47Å; H871-M875 PolarHBondContact O-N 3.43Å; Y872-M875 PolarHBondContact O-N 2.92Å; M875-H878 PolarHBondContact O-N 3Å; M875-F879 HydrophobicContact CE-CB 3.99Å; M875-F879 HydrophobicContact CE-CD2 4.4Å; M875-F879 VanDerWaalsContact O-CB 3.3Å; M875-F879 WeakPolarHBondContact O-CB 3.45Å; M875-F879 PolarHBondContact O-N 2.89Å
876	L	98.3	Very high	96.5	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-58.6	-52.1	175.5	172.8	63.6	0	0	0	111	I772 Y872 E873 I874 H878 F879 L880	I772-L876 HydrophobicContact CB-CD1 4.49Å; I772-L876 HydrophobicContact CD1-CD1 3.64Å; I772-L876 HydrophobicContact CG1-CD1 4.28Å; I772-L876 HydrophobicContact CG2-CD1 4.22Å; Y872-L876 HydrophobicContact CE2-CB 4.34Å; Y872-L876 HydrophobicContact CE2-CD2 4.3Å; Y872-L876 WeakPolarHBondContact O-CB 3.44Å; Y872-L876 PolarHBondContact O-N 2.98Å; E873-L876 PolarHBondContact O-N 3.37Å; I874-L876 PolarHBondContact O-N 3.45Å; L876-H878 VanDerWaalsContact C-N 3.33Å; L876-H878 PolarHBondContact O-N 3.07Å; L876-F879 PolarHBondContact O-N 3.39Å; L876-L880 HydrophobicContact CD1-CD1 3.88Å; L876-L880 HydrophobicContact CD1-CG 4.3Å; L876-L880 HydrophobicContact CG-CD1 4.08Å; L876-L880 VanDerWaalsContact O-CG 3.29Å; L876-L880 WeakPolarHBondContact O-CG 3.07Å; L876-L880 PolarHBondContact O-N 2.6Å
877	L	98.3	Very high	97	Very high	7 Å²	7	32 Å²	32	4%	0.037	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-42.9	178.2	-69.7	-177.1	0	0	0	111.6	L57 I61 L688 L691 E873 I874 L880 Q881	L57-L877 HydrophobicContact CD1-CB 4.07Å; L57-L877 HydrophobicContact CD2-CB 4.03Å; L57-L877 HydrophobicContact CD2-CD1 4.21Å; I61-L877 HydrophobicContact CD1-CD1 3.63Å; I61-L877 HydrophobicContact CG1-CD1 4.02Å; L688-L877 HydrophobicContact CD2-CD2 3.43Å; L688-L877 VanDerWaalsContact CD2-CD2 3.43Å; L688-L877 HydrophobicContact CG-CD2 4.2Å; L691-L877 HydrophobicContact CD1-CD1 3.93Å; L691-L877 HydrophobicContact CD1-CD2 3.81Å; L691-L877 HydrophobicContact CD1-CG 4.45Å; E873-L877 WeakPolarHBondContact O-CG 3.49Å; E873-L877 PolarHBondContact O-N 3.34Å; I874-L877 PolarHBondContact O-N 2.84Å; L877-L880 PolarHBondContact O-N 3.47Å; L877-Q881 WeakPolarHBondContact O-CG 3.41Å; L877-Q881 PolarHBondContact O-N 2.93Å
878	H	98.4	Very high	97.2	Very high	47 Å²	47	26.6 Å²	26.6	22%	0.218	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-46.8	178.7	-174.6	82.7	0	0	0	111.7	W54 L57 I874 M875 L876 L880 Q881 Q882	W54-H878 HydrophobicContact CE3-CB 4.15Å; W54-H878 AromaticContact CE3-CG 3.99Å; W54-H878 HydrophobicContact CZ3-CB 3.96Å; L57-H878 HydrophobicContact CD1-CB 3.76Å; I874-H878 VanDerWaalsContact O-CB 3.24Å; I874-H878 WeakPolarHBondContact O-CB 3.43Å; I874-H878 PolarHBondContact O-N 3.12Å; M875-H878 PolarHBondContact O-N 3Å; L876-H878 VanDerWaalsContact C-N 3.33Å; L876-H878 PolarHBondContact O-N 3.07Å; H878-L880 PolarHBondContact O-N 3.29Å; H878-Q881 PolarHBondContact ND1-NE2 2.93Å; H878-Q881 VanDerWaalsContact O-CG 3.23Å; H878-Q881 WeakPolarHBondContact O-CG 3.46Å; H878-Q881 PolarHBondContact O-N 3.48Å; H878-Q882 VanDerWaalsContact O-CG 3.31Å; H878-Q882 WeakPolarHBondContact O-CG 3.42Å; H878-Q882 PolarHBondContact O-N 3.19Å
879	F	98.6	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62	-44.8	179.1	-171.5	-97.5	0	0	0	111.4	L770 I772 L822 Q852 M875 L876 Q882 Y883	L770-F879 HydrophobicContact CB-CE1 4.26Å; L770-F879 HydrophobicContact CD1-CD1 4.14Å; L770-F879 HydrophobicContact CD1-CE1 3.86Å; L770-F879 HydrophobicContact CD2-CE1 4.25Å; L770-F879 HydrophobicContact CG-CE1 4.37Å; I772-F879 HydrophobicContact CD1-CD1 4.06Å; I772-F879 HydrophobicContact CD1-CE1 4.46Å; I772-F879 HydrophobicContact CG1-CD1 3.81Å; I772-F879 HydrophobicContact CG1-CE1 4.01Å; L822-F879 HydrophobicContact CB-CD1 4.27Å; L822-F879 HydrophobicContact CB-CD2 4.17Å; L822-F879 HydrophobicContact CB-CE1 3.98Å; L822-F879 HydrophobicContact CB-CE2 3.9Å; L822-F879 HydrophobicContact CB-CG 4.36Å; L822-F879 HydrophobicContact CB-CZ 3.81Å; L822-F879 HydrophobicContact CD2-CB 4.03Å; L822-F879 HydrophobicContact CD2-CD1 4.24Å; L822-F879 HydrophobicContact CD2-CD2 3.99Å; L822-F879 HydrophobicContact CD2-CG 3.82Å; Q852-F879 VanDerWaalsContact OE1-CE2 3.31Å; M875-F879 HydrophobicContact CE-CB 3.99Å; M875-F879 HydrophobicContact CE-CD2 4.4Å; M875-F879 VanDerWaalsContact O-CB 3.3Å; M875-F879 WeakPolarHBondContact O-CB 3.45Å; M875-F879 PolarHBondContact O-N 2.89Å; L876-F879 PolarHBondContact O-N 3.39Å; F879-Q882 PolarHBondContact O-N 2.99Å; F879-Y883 HydrophobicContact CD1-CD2 4.38Å; F879-Y883 AromaticContact CD2-CD2 3.48Å; F879-Y883 HydrophobicContact CD2-CD2 3.48Å; F879-Y883 VanDerWaalsContact CD2-CD2 3.48Å; F879-Y883 AromaticContact CD2-CE2 3.53Å; F879-Y883 HydrophobicContact CD2-CE2 3.53Å; F879-Y883 HydrophobicContact CE1-CD2 4.4Å; F879-Y883 AromaticContact CE2-CD2 3.48Å; F879-Y883 HydrophobicContact CE2-CD2 3.48Å; F879-Y883 VanDerWaalsContact CE2-CD2 3.48Å; F879-Y883 AromaticContact CE2-CE2 3.63Å; F879-Y883 HydrophobicContact CE2-CE2 3.63Å; F879-Y883 AromaticContact CG-CD2 3.94Å; F879-Y883 HydrophobicContact CG-CD2 3.94Å; F879-Y883 HydrophobicContact CG-CE2 4.34Å; F879-Y883 AromaticContact CZ-CD2 3.97Å; F879-Y883 HydrophobicContact CZ-CD2 3.97Å; F879-Y883 VanDerWaalsContact O-CD2 3.26Å; F879-Y883 WeakPolarHBondContact O-CD2 3.47Å; F879-Y883 PolarHBondContact O-N 3.41Å
880	L	98.6	Very high	97.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.7	-46.7	177.6	-69.9	168.8	0	0	0	112.2	V661 L688 Y693 A746 L770 I772 L876 L877 H878 Q882 L884	V661-L880 HydrophobicContact CG2-CD1 4.02Å; V661-L880 HydrophobicContact CG2-CD2 4.07Å; L688-L880 HydrophobicContact CD2-CD1 3.55Å; Y693-L880 HydrophobicContact CE1-CB 4.24Å; Y693-L880 WeakPolarHBondContact OH-CB 3.48Å; Y693-L880 PolarHBondContact OH-O 3.19Å; A746-L880 HydrophobicContact CB-CD2 3.66Å; L770-L880 HydrophobicContact CD1-CD2 4.38Å; I772-L880 HydrophobicContact CD1-CD2 3.82Å; I772-L880 HydrophobicContact CD1-CG 4.21Å; L876-L880 HydrophobicContact CD1-CD1 3.88Å; L876-L880 HydrophobicContact CD1-CG 4.3Å; L876-L880 HydrophobicContact CG-CD1 4.08Å; L876-L880 VanDerWaalsContact O-CG 3.29Å; L876-L880 WeakPolarHBondContact O-CG 3.07Å; L876-L880 PolarHBondContact O-N 2.6Å; L877-L880 PolarHBondContact O-N 3.47Å; H878-L880 PolarHBondContact O-N 3.29Å; L880-Q882 VanDerWaalsContact C-N 3.27Å; L880-Q882 PolarHBondContact O-N 3.27Å; L880-L884 HydrophobicContact CD2-CD2 4.04Å; L880-L884 VanDerWaalsContact O-CB 3.29Å; L880-L884 WeakPolarHBondContact O-CB 3.25Å; L880-L884 PolarHBondContact O-N 3.09Å
881	Q	97.9	Very high	97.9	Very high	7 Å²	7	27.4 Å²	27.4	3%	0.033	13%	0.125	C	C	.	.	H	α-helix	trans	-69.8	-22.7	-177.3	68.8	167.4	-4.7	0	0	113.9	V49 H52 Y693 L877 H878	V49-Q881 HydrophobicContact CG2-CB 4.12Å; H52-Q881 PolarHBondContact O-NE2 2.88Å; H52-Q881 PolarHBondContact O-OE1 3.08Å; Y693-Q881 VanDerWaalsContact OH-CA 3.31Å; Y693-Q881 WeakPolarHBondContact OH-CA 3.43Å; Y693-Q881 PolarHBondContact OH-N 3.49Å; Y693-Q881 VanDerWaalsContact OH-N 3.16Å; L877-Q881 WeakPolarHBondContact O-CG 3.41Å; L877-Q881 PolarHBondContact O-N 2.93Å; H878-Q881 PolarHBondContact ND1-NE2 2.93Å; H878-Q881 VanDerWaalsContact O-CG 3.23Å; H878-Q881 WeakPolarHBondContact O-CG 3.46Å; H878-Q881 PolarHBondContact O-N 3.48Å
882	Q	97.6	Very high	97.9	Very high	71 Å²	71	23.9 Å²	23.9	33%	0.332	11%	0.108	S	C	.	.	H	α-helix	trans	-86.5	-33	-179.5	-67.2	-52.1	-31.5	0	0	112.4	H878 F879 L880	H878-Q882 VanDerWaalsContact O-CG 3.31Å; H878-Q882 WeakPolarHBondContact O-CG 3.42Å; H878-Q882 PolarHBondContact O-N 3.19Å; F879-Q882 PolarHBondContact O-N 2.99Å; L880-Q882 VanDerWaalsContact C-N 3.27Å; L880-Q882 PolarHBondContact O-N 3.27Å
883	Y	98	Very high	97.9	Very high	89 Å²	89	25.4 Å²	25.4	35%	0.349	12%	0.116	S	C	.	.	H	α-helix	trans	-124	-7.7	-165.2	-51	-53.4	0	0	0	115.2	N819 F879	N819-Y883 HydrophobicContact CB-CD1 3.59Å; N819-Y883 HydrophobicContact CB-CD2 4.1Å; N819-Y883 HydrophobicContact CB-CE1 3.73Å; N819-Y883 HydrophobicContact CB-CE2 4.22Å; N819-Y883 HydrophobicContact CB-CG 3.78Å; F879-Y883 HydrophobicContact CD1-CD2 4.38Å; F879-Y883 AromaticContact CD2-CD2 3.48Å; F879-Y883 HydrophobicContact CD2-CD2 3.48Å; F879-Y883 VanDerWaalsContact CD2-CD2 3.48Å; F879-Y883 AromaticContact CD2-CE2 3.53Å; F879-Y883 HydrophobicContact CD2-CE2 3.53Å; F879-Y883 HydrophobicContact CE1-CD2 4.4Å; F879-Y883 AromaticContact CE2-CD2 3.48Å; F879-Y883 HydrophobicContact CE2-CD2 3.48Å; F879-Y883 VanDerWaalsContact CE2-CD2 3.48Å; F879-Y883 AromaticContact CE2-CE2 3.63Å; F879-Y883 HydrophobicContact CE2-CE2 3.63Å; F879-Y883 AromaticContact CG-CD2 3.94Å; F879-Y883 HydrophobicContact CG-CD2 3.94Å; F879-Y883 HydrophobicContact CG-CE2 4.34Å; F879-Y883 AromaticContact CZ-CD2 3.97Å; F879-Y883 HydrophobicContact CZ-CD2 3.97Å; F879-Y883 VanDerWaalsContact O-CD2 3.26Å; F879-Y883 WeakPolarHBondContact O-CD2 3.47Å; F879-Y883 PolarHBondContact O-N 3.41Å
884	L	95.9	Very high	98	Very high	29 Å²	29	25.4 Å²	25.4	15%	0.152	12%	0.115	C	C	.	.			trans	-111.5	0	174.1	-163.5	69.4	0	0	0	110.9	P659 V661 Y693 R744 A746 K769 L770 L880	P659-L884 HydrophobicContact CB-CD2 4Å; P659-L884 HydrophobicContact CB-CG 4.05Å; V661-L884 HydrophobicContact CG2-CD2 4.45Å; Y693-L884 HydrophobicContact CD1-CD2 4.33Å; Y693-L884 HydrophobicContact CE1-CD2 4.06Å; R744-L884 HydrophobicContact CB-CD1 4.22Å; R744-L884 HydrophobicContact CB-CG 4.32Å; R744-L884 WeakPolarHBondContact CD-O 3.43Å; A746-L884 HydrophobicContact CB-CD1 4.18Å; A746-L884 HydrophobicContact CB-CD2 3.72Å; K769-L884 HydrophobicContact CB-CD1 4.16Å; L770-L884 HydrophobicContact CD1-CB 3.69Å; L770-L884 HydrophobicContact CD1-CD1 4.12Å; L770-L884 HydrophobicContact CD1-CG 4.44Å; L770-L884 HydrophobicContact CG-CB 4.47Å; L770-L884 HydrophobicContact CG-CD1 4.04Å; L880-L884 HydrophobicContact CD2-CD2 4.04Å; L880-L884 VanDerWaalsContact O-CB 3.29Å; L880-L884 WeakPolarHBondContact O-CB 3.25Å; L880-L884 PolarHBondContact O-N 3.09Å

Retrieved 884 of 884 residues in 481.5 ms (Link to these results)

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