A0A087YMZ0_POEFO Loading...

Hephaestin

Plasma membrane ferroxidase that mediates the extracellular conversion of ferrous/Fe(2+) iron into its ferric/Fe(3+) form. Couples ferroportin which specifically exports ferrous/Fe(2+) iron from cells to transferrin that only binds and shuttles extracellular ferric/Fe(3+) iron throughout the body. By helping iron transfer from cells to blood mainly contributes to dietary iron absorption by the intestinal epithelium and more generally regulates iron levels in the body.

AlphaFold DB , UniProt , Accession A0A087YMZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,070 aa.

						>A0A087YMZ0_POEFO|A0A087YMZ0
MKKFGVVLLLCCAAICAAGMRREYFLKIEEVSWNYAPTGKNVIQNRTLQEDEEASVFLVKRPQRIGPVYKKAVYKQYSDATYRTELQKPEWLGYLGPLLMAEDGDTVIVHLRNSASRPYSIHAHGLNYTKGNEGALYPDGTGPQQKRDDAVAPGTTVTYEWTLPESHSPTAEDSNCMTRFYHSHVRPPKDVASGLIGPLLTCKRGTLDIHGDRAADYTYALLFMVSDENLSWYLDDNIRTHITNPIRDLKEDEDFIESNKMHGINGYLYGNLPGLSACQGNKIHWHLIGLGNEVDMHSVHFHGQILTNLNHHTDMVSLFPASSTTAEMVADNPGHWLLTCTVNDHLTAGMQALFEIKKCFPNVHKPRPHGELRQFFIAAEEEVWDYAPTAPSESEAETFVTRGPTRIGSRYKKVRYVEYLDNTFTTKMIRSPEEQHLGILGPVLRAEEKDTIKVIFKNKASRPYTIQPHGVQYSIEQDGTLYYNELEESHTAKKLRELKREPRVVTPPPAALVRPGTVYTYEWTVPVGAGPVPGEPDCLSYLYYSAVDPVRDTSSGLVGPLLVCRPGSLKKGAQKNYNKEFHLMATVFDENLSWYLDENIRTFTTAPNSVTKENEDFIESNKMHAINGFVYRNLPGLTMCKGDKTTWHLSGLGTETDIISLYFQGNRFIYRQNRKDTISVFPHISHTVTMEPDSMGQFEVVSATVDHYRGGMRANYTVQKCGLFQRQSEVMLHSKTFYIAAVEIDWDYSPNRTWEAEMFRGHENPASIFLDKRDGYIGSIYKKVVYQQFTNDKFTKKVERTPDMDHLGIMGPMIHASVGDKVKIVFKNMASRPYSIHAHGVKTESPDVYQTKPGETHTYFWYVNKNTGPTTEQEECSVSAYYSTADVTKDLYSGLIGPLVICRRSWARSLGLKKEVEEFALLFLVFDENESWYLDENIRRNIRNPRPNLKADDSFIESNKIHAINGYVYGNLNGLNMEVGDKVYWYLMGMGNEVDIHTVHWHGHSVEYKLGGGPHRADSYELFPAIFQTVKMRPEHPGTWLLHCHVTDHISAGMEAMYTVTEKPKRGLFG
					

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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	31.9	Very low	31.1	Very low	242 Å²	242	156.5 Å²	156.5	100%	1.192	83%	0.832	S	S	*	*				0	119.9	0	-74.1	178	-163.9	0	0	109.3
2	K	31.1	Very low	31.2	Very low	193 Å²	193	153.2 Å²	153.2	84%	0.839	83%	0.828	S	S	*	*			trans	34	123.5	152	-65.4	-179.1	177.3	179	0	120.6
3	K	28.7	Very low	31.4	Very low	197 Å²	197	148 Å²	148	86%	0.857	82%	0.819	S	S	*	*				-178.2	101.7	109.5	-94.8	174.5	-176.7	-174.5	0	108.7
4	F	30.6	Very low	31.4	Very low	201 Å²	201	143.6 Å²	143.6	88%	0.882	81%	0.812	S	S	*	*				56.7	103.3	104.2	-94.2	-82	0	0	0	115.2
5	G	28.2	Very low	31.7	Very low	68 Å²	68	144.1 Å²	144.1	70%	0.701	81%	0.81	S	S	*	*			trans	-138.7	122.1	158.8	0	0	0	0	0	107.7
6	V	30.9	Very low	31.9	Very low	132 Å²	132	142.8 Å²	142.8	80%	0.8	81%	0.811	S	S	*	*			trans	-66.9	126.5	-172.2	172.1	0	0	0	0	110.6
7	V	31.8	Very low	32.5	Very low	127 Å²	127	138.6 Å²	138.6	77%	0.77	80%	0.798	S	S	*	*			trans	-101.7	117.9	169	175.5	0	0	0	0	108.3	L9	V7-L9 PolarHBondContact O-N 3.2Å
8	L	31.6	Very low	34.1	Very low	145 Å²	145	135.8 Å²	135.8	76%	0.759	79%	0.794	S	S	*	*			trans	-70.3	111.2	171.4	-145.3	88.3	0	0	0	108.1	L10	L8-L10 PolarHBondContact O-N 3.4Å
9	L	31.8	Very low	36	Very low	154 Å²	154	130.8 Å²	130.8	81%	0.806	78%	0.775	S	S	*	*			trans	-75.1	98.4	170.5	-104.3	125.9	0	0	0	108.8	V7 C11	V7-L9 PolarHBondContact O-N 3.2Å; L9-C11 PolarHBondContact O-N 2.95Å
10	L	34	Very low	38.6	Very low	148 Å²	148	129.4 Å²	129.4	78%	0.775	76%	0.761	S	S	*	*			trans	-73.2	99.9	158.4	-99.5	141.8	0	0	0	107.6	L8 C12	L8-L10 PolarHBondContact O-N 3.4Å; L10-C12 VanDerWaalsContact C-N 3.28Å; L10-C12 PolarHBondContact O-N 3.39Å
11	C	31.3	Very low	41.2	Very low	114 Å²	114	130.6 Å²	130.6	77%	0.77	75%	0.753	S	S	*	*			trans	-65.2	90.6	163	-81.9	0	0	0	0	108.8	L9 A13	L9-C11 PolarHBondContact O-N 2.95Å; C11-A13 VanDerWaalsContact C-N 3.28Å; C11-A13 PolarHBondContact O-N 3.29Å
12	C	32.1	Very low	44.2	Very low	117 Å²	117	121 Å²	121	79%	0.791	70%	0.703	S	S	*	*			trans	-65.7	96.2	153.4	-77.8	0	0	0	0	107.1	L10 A14	L10-C12 VanDerWaalsContact C-N 3.28Å; L10-C12 PolarHBondContact O-N 3.39Å; C12-A14 PolarHBondContact O-N 2.92Å
13	A	34.2	Very low	47.3	Very low	86 Å²	86	116.1 Å²	116.1	71%	0.711	68%	0.683	S	S	*	*			trans	-63.1	94.2	158.5	0	0	0	0	0	106.7	C11 I15	C11-A13 VanDerWaalsContact C-N 3.28Å; C11-A13 PolarHBondContact O-N 3.29Å; A13-I15 VanDerWaalsContact C-N 3.3Å; A13-I15 PolarHBondContact O-N 3.1Å
14	A	32.1	Very low	50.6	Low	87 Å²	87	107.8 Å²	107.8	72%	0.719	65%	0.647	S	S	*	*			trans	-61.1	101.7	160.7	0	0	0	0	0	105.9	C12 C16	C12-A14 PolarHBondContact O-N 2.92Å; A14-C16 PolarHBondContact O-N 2.9Å
15	I	34.7	Very low	53.8	Low	151 Å²	151	99.5 Å²	99.5	77%	0.774	61%	0.61	S	S	*	*			trans	-66.3	91.2	164.8	-59.3	172	0	0	0	104.6	A13 A17	A13-I15 VanDerWaalsContact C-N 3.3Å; A13-I15 PolarHBondContact O-N 3.1Å; I15-A17 HydrophobicContact CG2-CB 4.4Å; I15-A17 PolarHBondContact O-N 3.08Å
16	C	35	Very low	57.2	Low	122 Å²	122	96.2 Å²	96.2	82%	0.824	58%	0.577	S	S	*	*			trans	-64.5	86.8	156	-85.6	0	0	0	0	105.9	A14 A18	A14-C16 PolarHBondContact O-N 2.9Å; C16-A18 PolarHBondContact O-N 2.92Å
17	A	43.6	Very low	60.4	Low	72 Å²	72	91.6 Å²	91.6	60%	0.595	55%	0.546	S	S	*	.			trans	-63.9	105	164.6	0	0	0	0	0	106.3	I15	I15-A17 HydrophobicContact CG2-CB 4.4Å; I15-A17 PolarHBondContact O-N 3.08Å
18	A	60.3	Low	63.6	Low	89 Å²	89	85.5 Å²	85.5	74%	0.736	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-62.2	145	170.5	0	0	0	0	0	108.9	C16	C16-A18 PolarHBondContact O-N 2.92Å
19	G	70.3	Confident	66.7	Low	41 Å²	41	80.3 Å²	80.3	42%	0.423	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-56.5	150.2	176.6	0	0	0	0	0	112.4	G104	G19-G104 WeakPolarHBondContact CA-O 3.3Å
20	M	88.2	Confident	69.9	Low	101 Å²	101	76 Å²	76	50%	0.498	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-84.2	145.8	-175.6	-72.2	-176.7	17.2	0	0	111.5	D105 T106	M20-D105 WeakPolarHBondContact CB-OD1 3.15Å; M20-D105 PolarHBondContact N-OD1 2.98Å; M20-D105 CarbonylContact O-C 3.57Å; M20-D105 VanDerWaalsContact O-CA 3.29Å; M20-D105 WeakPolarHBondContact O-CA 3.25Å; M20-D105 WeakPolarHBondContact O-CB 3.22Å; M20-T106 PolarHBondContact O-N 3.46Å
21	R	93.7	Very high	72.9	Confident	156 Å²	156	70.7 Å²	70.7	59%	0.589	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.3	167.1	-179.5	173.9	163.8	146.2	1.3	109.2	E23 T106 I108	R21-E23 HydrophobicContact CG-CG 4.35Å; R21-E23 IonicContact CZ-OE1 2.78Å; R21-E23 IonicContact NE-OE1 3.99Å; R21-E23 PolarHBondContact NE-OE1 3.33Å; R21-E23 IonicContact NH2-OE1 3.77Å; R21-E23 PolarHBondContact NH2-OE1 3.48Å; R21-T106 CarbonylContact C-O 3.56Å; R21-T106 WeakPolarHBondContact CA-O 3.26Å; R21-I108 HydrophobicContact CG-CG1 3.86Å
22	R	94.3	Very high	76.1	Confident	40 Å²	40	69.6 Å²	69.6	15%	0.151	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.5	178.5	-60.6	-176	-175.5	-98.1	-5.2	109.6	Y24 M100 D105 T106 I108	R22-Y24 HydrophobicContact CB-CE2 3.85Å; R22-M100 WeakPolarHBondContact CD-O 3.36Å; R22-D105 IonicContact CZ-OD2 2.9Å; R22-D105 VanDerWaalsContact CZ-OD2 3.23Å; R22-D105 IonicContact NE-OD2 3.93Å; R22-D105 PolarHBondContact NE-OD2 3.13Å; R22-D105 IonicContact NH2-OD2 2.65Å; R22-D105 PolarHBondContact NH2-OD2 2.86Å; R22-T106 PolarHBondContact N-O 2.93Å; R22-I108 PolarHBondContact O-N 2.85Å
23	E	96	Very high	79.3	Confident	90 Å²	90	65.4 Å²	65.4	42%	0.421	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.2	-178.3	-61.9	-165.6	163.2	0	0	111.7	R21 F25 I108	R21-E23 HydrophobicContact CG-CG 4.35Å; R21-E23 IonicContact CZ-OE1 2.78Å; R21-E23 IonicContact NE-OE1 3.99Å; R21-E23 PolarHBondContact NE-OE1 3.33Å; R21-E23 IonicContact NH2-OE1 3.77Å; R21-E23 PolarHBondContact NH2-OE1 3.48Å; E23-F25 HydrophobicContact CB-CE2 4.47Å; E23-I108 CarbonylContact C-O 3.57Å; E23-I108 WeakPolarHBondContact CA-O 3.4Å; E23-I108 HydrophobicContact CG-CB 4.12Å; E23-I108 HydrophobicContact CG-CG2 4.49Å
24	Y	97.7	Very high	82.3	Confident	22 Å²	22	63.8 Å²	63.8	9%	0.086	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.1	177	-62.2	-92.9	0	0	0	110.4	R22 L99 M100 V107 I108 V109 H110	R22-Y24 HydrophobicContact CB-CE2 3.85Å; Y24-L99 HydrophobicContact CD1-CD2 3.29Å; Y24-L99 HydrophobicContact CD2-CD2 3.99Å; Y24-L99 HydrophobicContact CE1-CD2 3.53Å; Y24-L99 HydrophobicContact CE2-CD2 4.18Å; Y24-L99 HydrophobicContact CG-CD2 3.54Å; Y24-M100 PolarHBondContact OH-N 2.86Å; Y24-M100 VanDerWaalsContact OH-N 3.15Å; Y24-M100 PolarHBondContact OH-O 2.76Å; Y24-M100 VanDerWaalsContact OH-O 3.1Å; Y24-V107 HydrophobicContact CD2-CG1 3.89Å; Y24-V107 HydrophobicContact CE2-CG1 3.91Å; Y24-I108 PolarHBondContact N-O 2.69Å; Y24-V109 WeakPolarHBondContact O-CA 3.21Å; Y24-H110 PolarHBondContact O-N 3.25Å
25	F	98.5	Very high	85.5	Confident	27 Å²	27	59.6 Å²	59.6	12%	0.118	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	104.5	175.2	-59.2	-88.2	0	0	0	109	E23 Q76 Y77 D79 A80 Y82 H110	E23-F25 HydrophobicContact CB-CE2 4.47Å; F25-Q76 CarbonylContact O-C 3.58Å; F25-Q76 WeakPolarHBondContact O-CA 3.48Å; F25-Y77 PolarHBondContact O-N 3.07Å; F25-D79 VanDerWaalsContact CD1-C 3.42Å; F25-D79 VanDerWaalsContact CD2-CA 3.44Å; F25-D79 VanDerWaalsContact CG-C 3.41Å; F25-A80 HydrophobicContact CD1-CB 4.07Å; F25-A80 VanDerWaalsContact CD1-N 3.29Å; F25-A80 HydrophobicContact CE1-CB 3.68Å; F25-A80 VanDerWaalsContact CE1-N 3.32Å; F25-Y82 HydrophobicContact CB-CE1 4.1Å; F25-H110 HydrophobicContact CD1-CB 3.67Å; F25-H110 AromaticContact CD1-CD2 3.64Å; F25-H110 AromaticContact CD1-CG 3.89Å; F25-H110 HydrophobicContact CE1-CB 4.04Å; F25-H110 AromaticContact CE1-CD2 3.2Å; F25-H110 WeakPolarHBondContact CE1-CD2 2.96Å; F25-H110 AromaticContact CE1-CG 3.73Å; F25-H110 AromaticContact CE1-NE2 3.91Å; F25-H110 AromaticContact CZ-CD2 3.66Å
26	L	98.6	Very high	88.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	139.7	-176.8	-58.3	-170.1	0	0	0	110.8	K75 Q76 Y82 P97 V109 H110 L111 R112 I121 Y181	L26-K75 CarbonylContact C-O 3.54Å; L26-K75 WeakPolarHBondContact CA-O 3.24Å; L26-Q76 HydrophobicContact CD2-CB 4.21Å; L26-Q76 HydrophobicContact CD2-CG 4.14Å; L26-Y82 WeakPolarHBondContact O-CE1 3.41Å; L26-P97 HydrophobicContact CD2-CG 3.43Å; L26-P97 VanDerWaalsContact CD2-CG 3.43Å; L26-V109 HydrophobicContact CB-CG1 4.27Å; L26-V109 HydrophobicContact CD1-CG1 3.65Å; L26-V109 HydrophobicContact CG-CG1 3.83Å; L26-H110 PolarHBondContact N-O 3.38Å; L26-H110 VanDerWaalsContact O-O 3.09Å; L26-L111 HydrophobicContact CB-CD1 3.92Å; L26-L111 CarbonylContact O-C 3.49Å; L26-L111 WeakPolarHBondContact O-CA 3.2Å; L26-R112 PolarHBondContact O-N 3.35Å; L26-I121 HydrophobicContact CD1-CD1 3.75Å; L26-Y181 HydrophobicContact CD1-CE2 4.41Å
27	K	98.5	Very high	91.4	Very high	34 Å²	34	50.1 Å²	50.1	15%	0.148	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.5	173.5	-167.3	-174.3	177.2	-166.9	0	109.6	E29 K75 Y77 Y82 R112 S114	K27-E29 HydrophobicContact CD-CG 3.88Å; K27-E29 WeakPolarHBondContact CD-OE1 3.39Å; K27-E29 WeakPolarHBondContact CE-OE1 3.29Å; K27-E29 HydrophobicContact CG-CG 4Å; K27-E29 IonicContact NZ-OE1 2.96Å; K27-E29 PolarHBondContact NZ-OE1 3.03Å; K27-K75 PolarHBondContact N-O 3.22Å; K27-K75 PolarHBondContact O-N 3.33Å; K27-Y77 HydrophobicContact CB-CD2 3.82Å; K27-Y77 HydrophobicContact CB-CE2 3.44Å; K27-Y77 VanDerWaalsContact CB-CE2 3.44Å; K27-Y77 HydrophobicContact CD-CE2 3.79Å; K27-Y77 HydrophobicContact CG-CE2 4.29Å; K27-Y82 HydrophobicContact CB-CD1 4.01Å; K27-Y82 HydrophobicContact CB-CE1 4.36Å; K27-R112 CarbonylContact C-O 3.52Å; K27-R112 VanDerWaalsContact CA-O 3.24Å; K27-R112 WeakPolarHBondContact CA-O 3.37Å; K27-R112 HydrophobicContact CG-CB 4.34Å; K27-R112 HydrophobicContact CG-CG 4.48Å; K27-S114 VanDerWaalsContact CE-CB 3.42Å; K27-S114 WeakPolarHBondContact CE-OG 3.42Å
28	I	98.8	Very high	93.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.5	170.7	-60.7	171.7	0	0	0	108.2	A72 V73 Y74 L111 R112 S114 A115 Y119 L195	I28-A72 HydrophobicContact CG2-CB 4.28Å; I28-V73 WeakPolarHBondContact CA-O 3.38Å; I28-Y74 HydrophobicContact CD1-CD1 4.39Å; I28-Y74 HydrophobicContact CD1-CE1 3.8Å; I28-Y74 HydrophobicContact CG1-CD1 3.72Å; I28-Y74 HydrophobicContact CG1-CE1 3.65Å; I28-L111 HydrophobicContact CD1-CD1 4.07Å; I28-L111 HydrophobicContact CD1-CD2 4.14Å; I28-L111 HydrophobicContact CD1-CG 4.42Å; I28-L111 HydrophobicContact CG1-CD1 3.9Å; I28-R112 PolarHBondContact N-O 3.04Å; I28-S114 CarbonylContact O-C 3.58Å; I28-S114 WeakPolarHBondContact O-CA 3.33Å; I28-S114 WeakPolarHBondContact O-CB 3.38Å; I28-S114 PolarHBondContact O-N 3.07Å; I28-A115 HydrophobicContact CG2-CB 3.96Å; I28-A115 PolarHBondContact O-N 3.19Å; I28-Y119 HydrophobicContact CD1-CD2 4.4Å; I28-Y119 HydrophobicContact CD1-CG 4.31Å; I28-Y119 HydrophobicContact CG2-CD2 3.89Å; I28-Y119 HydrophobicContact CG2-CE2 4.32Å; I28-L195 HydrophobicContact CD1-CD2 4.48Å; I28-L195 HydrophobicContact CG1-CD2 4.25Å; I28-L195 HydrophobicContact CG2-CD1 4.44Å; I28-L195 HydrophobicContact CG2-CD2 3.77Å
29	E	97.9	Very high	95.5	Very high	36 Å²	36	47.8 Å²	47.8	17%	0.168	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.7	178.4	-61.2	-164.2	129.2	0	0	111.5	K27 A72 V73 K75 Y77	K27-E29 HydrophobicContact CD-CG 3.88Å; K27-E29 WeakPolarHBondContact CD-OE1 3.39Å; K27-E29 WeakPolarHBondContact CE-OE1 3.29Å; K27-E29 HydrophobicContact CG-CG 4Å; K27-E29 IonicContact NZ-OE1 2.96Å; K27-E29 PolarHBondContact NZ-OE1 3.03Å; E29-A72 WeakPolarHBondContact O-CA 3.24Å; E29-V73 PolarHBondContact N-O 2.82Å; E29-V73 PolarHBondContact O-N 2.91Å; E29-K75 WeakPolarHBondContact OE2-CD 3.38Å; E29-K75 WeakPolarHBondContact OE2-CE 3.21Å; E29-K75 IonicContact OE2-NZ 2.71Å; E29-K75 PolarHBondContact OE2-NZ 3.15Å; E29-Y77 PolarHBondContact OE1-OH 3.36Å; E29-Y77 PolarHBondContact OE2-OH 2.57Å
30	E	98.6	Very high	96.7	Very high	63 Å²	63	50.2 Å²	50.2	29%	0.294	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	130	171.7	-69	170.5	-168.6	0	0	110.1	K70 K71 A115 S116 Y233	E30-K70 WeakPolarHBondContact OE2-CE 3.32Å; E30-K70 IonicContact OE2-NZ 3.77Å; E30-K70 PolarHBondContact OE2-NZ 3.04Å; E30-K71 CarbonylContact C-O 3.57Å; E30-K71 VanDerWaalsContact CA-O 3.24Å; E30-K71 WeakPolarHBondContact CA-O 3.48Å; E30-A115 HydrophobicContact CG-CB 3.9Å; E30-S116 WeakPolarHBondContact OE1-CB 3.41Å; E30-S116 PolarHBondContact OE1-N 2.63Å; E30-S116 PolarHBondContact OE1-OG 3.02Å; E30-S116 VanDerWaalsContact OE1-OG 3.05Å; E30-Y233 HydrophobicContact CG-CE1 4.17Å; E30-Y233 PolarHBondContact OE1-OH 3.22Å
31	V	97.7	Very high	97	Very high	37 Å²	37	45.5 Å²	45.5	22%	0.224	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	157.7	-178	-60.3	0	0	0	0	110.7	K70 K71 V73	V31-K70 CarbonylContact O-C 3.6Å; V31-K70 WeakPolarHBondContact O-CA 3.38Å; V31-K71 HydrophobicContact CG2-CB 4.39Å; V31-K71 PolarHBondContact N-O 2.89Å; V31-K71 PolarHBondContact O-N 3.1Å; V31-V73 HydrophobicContact CB-CG2 4.46Å; V31-V73 HydrophobicContact CG1-CG2 3.75Å; V31-V73 HydrophobicContact CG2-CB 4.48Å; V31-V73 HydrophobicContact CG2-CG1 3.8Å; V31-V73 HydrophobicContact CG2-CG2 3.82Å
32	S	98.1	Very high	97	Very high	91 Å²	91	40.1 Å²	40.1	64%	0.636	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	111.8	166.1	-173.7	0	0	0	0	108.1	V68	S32-V68 WeakPolarHBondContact OG-CG1 3.45Å
33	W	98.3	Very high	96.8	Very high	29 Å²	29	38.4 Å²	38.4	11%	0.11	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.4	-178.8	-179.2	-107.8	0	0	0	110.6	Y35 V68 Y69 K71 G93 Y94 G266 Y267	W33-Y35 AromaticContact CD1-CD2 3.79Å; W33-Y35 AromaticContact CD1-CE1 3.94Å; W33-Y35 AromaticContact CD1-CE2 3.71Å; W33-Y35 AromaticContact CD1-CG 3.97Å; W33-Y35 AromaticContact CD1-CZ 3.77Å; W33-Y35 AromaticContact NE1-CD1 3.7Å; W33-Y35 AromaticContact NE1-CE1 3.82Å; W33-Y35 AromaticContact NE1-CG 3.9Å; W33-V68 CarbonylContact O-C 3.54Å; W33-V68 VanDerWaalsContact O-CA 3.27Å; W33-V68 WeakPolarHBondContact O-CA 3.41Å; W33-Y69 PolarHBondContact N-O 3.25Å; W33-Y69 PolarHBondContact O-N 3.46Å; W33-K71 HydrophobicContact CB-CB 4.38Å; W33-K71 HydrophobicContact CB-CD 3.57Å; W33-K71 HydrophobicContact CB-CG 3.89Å; W33-K71 HydrophobicContact CG-CD 3.81Å; W33-G93 VanDerWaalsContact CH2-CA 3.49Å; W33-Y94 HydrophobicContact CD2-CD1 4.25Å; W33-Y94 AromaticContact CE2-CD1 3.8Å; W33-Y94 HydrophobicContact CG-CD1 4.47Å; W33-Y94 VanDerWaalsContact CH2-N 3.3Å; W33-Y94 HydrophobicContact CZ2-CD1 4.17Å; W33-Y94 AromaticContact NE1-CD1 3.75Å; W33-G266 WeakPolarHBondContact CZ2-O 3.49Å; W33-G266 PolarHBondContact NE1-O 3.1Å; W33-Y267 HydrophobicContact CH2-CD2 4.45Å; W33-Y267 AromaticContact CH2-CE1 3.74Å; W33-Y267 HydrophobicContact CH2-CE1 3.74Å; W33-Y267 AromaticContact CH2-CE2 3.7Å; W33-Y267 HydrophobicContact CH2-CE2 3.7Å; W33-Y267 AromaticContact CH2-CZ 3.29Å; W33-Y267 VanDerWaalsContact CH2-OH 3.28Å; W33-Y267 WeakPolarHBondContact CH2-OH 3.21Å; W33-Y267 HydrophobicContact CZ2-CD1 4.05Å; W33-Y267 HydrophobicContact CZ2-CD2 4.17Å; W33-Y267 AromaticContact CZ2-CE1 3.66Å; W33-Y267 HydrophobicContact CZ2-CE1 3.66Å; W33-Y267 AromaticContact CZ2-CE2 3.87Å; W33-Y267 HydrophobicContact CZ2-CE2 3.87Å; W33-Y267 HydrophobicContact CZ2-CG 4.31Å; W33-Y267 AromaticContact CZ2-CZ 3.61Å
34	N	98.1	Very high	96.5	Very high	51 Å²	51	38.2 Å²	38.2	27%	0.273	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.1	175.4	-175.1	-11.4	0	0	0	109.6	A36 P67 V68	N34-A36 VanDerWaalsContact C-N 3.28Å; N34-A36 PolarHBondContact O-N 3.12Å; N34-A36 VanDerWaalsContact OD1-C 3.28Å; N34-A36 PolarHBondContact OD1-N 2.76Å; N34-A36 PolarHBondContact OD1-O 3.31Å; N34-P67 WeakPolarHBondContact CA-O 3.31Å; N34-P67 PolarHBondContact OD1-O 3.21Å; N34-V68 HydrophobicContact CB-CG2 4Å
35	Y	98.3	Very high	96.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-70.7	-19.9	-178.8	-76	-84.4	0	0	0	114.1	W33 P67 Y69 K71 S226 E228 M261 G266 Y267 L268	W33-Y35 AromaticContact CD1-CD2 3.79Å; W33-Y35 AromaticContact CD1-CE1 3.94Å; W33-Y35 AromaticContact CD1-CE2 3.71Å; W33-Y35 AromaticContact CD1-CG 3.97Å; W33-Y35 AromaticContact CD1-CZ 3.77Å; W33-Y35 AromaticContact NE1-CD1 3.7Å; W33-Y35 AromaticContact NE1-CE1 3.82Å; W33-Y35 AromaticContact NE1-CG 3.9Å; Y35-P67 PolarHBondContact N-O 2.66Å; Y35-Y69 AromaticContact CD2-CD2 3.76Å; Y35-Y69 HydrophobicContact CD2-CD2 3.76Å; Y35-Y69 HydrophobicContact CD2-CE2 4.2Å; Y35-Y69 AromaticContact CE2-CD2 3.56Å; Y35-Y69 HydrophobicContact CE2-CD2 3.56Å; Y35-Y69 HydrophobicContact CE2-CE2 4.16Å; Y35-Y69 HydrophobicContact CE2-CG 4.19Å; Y35-K71 PolarHBondContact OH-NZ 3.24Å; Y35-K71 VanDerWaalsContact OH-NZ 3.15Å; Y35-S226 WeakPolarHBondContact OH-CB 3.42Å; Y35-E228 HydrophobicContact CE2-CG 4.48Å; Y35-E228 PolarHBondContact OH-OE1 3.34Å; Y35-M261 HydrophobicContact CD1-CB 3.73Å; Y35-M261 HydrophobicContact CD1-CE 4.25Å; Y35-M261 HydrophobicContact CD1-CG 4.19Å; Y35-M261 HydrophobicContact CD2-CB 4.44Å; Y35-M261 HydrophobicContact CD2-CE 3.63Å; Y35-M261 HydrophobicContact CD2-CG 3.99Å; Y35-M261 HydrophobicContact CE1-CB 3.51Å; Y35-M261 HydrophobicContact CE1-CG 3.96Å; Y35-M261 HydrophobicContact CE2-CB 4.23Å; Y35-M261 HydrophobicContact CE2-CE 4.33Å; Y35-M261 HydrophobicContact CE2-CG 3.72Å; Y35-M261 HydrophobicContact CG-CB 4.21Å; Y35-M261 HydrophobicContact CG-CE 3.59Å; Y35-M261 HydrophobicContact CG-CG 4.22Å; Y35-G266 WeakPolarHBondContact CD1-O 3.18Å; Y35-Y267 WeakPolarHBondContact O-CA 3Å; Y35-L268 HydrophobicContact CD1-CD1 3.68Å; Y35-L268 HydrophobicContact CG-CD1 4.28Å; Y35-L268 PolarHBondContact O-N 3.2Å
36	A	97.5	Very high	95.7	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.017	24%	0.244	C	C	.	.			trans	-142	71.1	179.1	0	0	0	0	0	111.4	N34 T38 G39 L48 L58	N34-A36 VanDerWaalsContact C-N 3.28Å; N34-A36 PolarHBondContact O-N 3.12Å; N34-A36 VanDerWaalsContact OD1-C 3.28Å; N34-A36 PolarHBondContact OD1-N 2.76Å; N34-A36 PolarHBondContact OD1-O 3.31Å; A36-T38 PolarHBondContact O-N 3.06Å; A36-T38 VanDerWaalsContact O-N 3.13Å; A36-G39 PolarHBondContact O-N 3.46Å; A36-L48 HydrophobicContact CB-CD1 4.44Å; A36-L58 HydrophobicContact CB-CD1 3.55Å; A36-L58 HydrophobicContact CB-CD2 3.84Å; A36-L58 HydrophobicContact CB-CG 4.27Å
37	P	96.9	Very high	95.4	Very high	71 Å²	71	47.4 Å²	47.4	46%	0.461	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-25	-174.7	24.7	-36.7	0	0	0	114.7	G39 Y267	P37-G39 VanDerWaalsContact C-N 3.27Å; P37-G39 PolarHBondContact O-N 3.01Å; P37-Y267 HydrophobicContact CG-CD1 4.26Å; P37-Y267 HydrophobicContact CG-CE1 3.84Å
38	T	95.4	Very high	95.2	Very high	78 Å²	78	46.1 Å²	46.1	48%	0.479	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.4	177.9	69.3	0	0	0	0	113.4	A36 K40 V42 N271	A36-T38 PolarHBondContact O-N 3.06Å; A36-T38 VanDerWaalsContact O-N 3.13Å; T38-K40 PolarHBondContact O-N 2.78Å; T38-K40 PolarHBondContact OG1-N 3.26Å; T38-K40 PolarHBondContact OG1-O 2.91Å; T38-V42 HydrophobicContact CG2-CG2 4.25Å; T38-N271 VanDerWaalsContact CB-OD1 3.31Å; T38-N271 WeakPolarHBondContact CB-OD1 3.19Å; T38-N271 VanDerWaalsContact CG2-OD1 3.27Å; T38-N271 WeakPolarHBondContact CG2-OD1 3.35Å; T38-N271 PolarHBondContact N-OD1 3.39Å; T38-N271 VanDerWaalsContact N-OD1 3.12Å; T38-N271 PolarHBondContact OG1-OD1 3.46Å
39	G	94.9	Very high	94.7	Very high	34 Å²	34	52.6 Å²	52.6	35%	0.351	28%	0.282	S	S	.	.	S	Bend	trans	66.1	23.7	-173.6	0	0	0	0	0	113.6	A36 P37 L48	A36-G39 PolarHBondContact O-N 3.46Å; P37-G39 VanDerWaalsContact C-N 3.27Å; P37-G39 PolarHBondContact O-N 3.01Å; G39-L48 VanDerWaalsContact C-CG 3.5Å; G39-L48 WeakPolarHBondContact O-CG 3.31Å
40	K	94.1	Very high	94.5	Very high	93 Å²	93	57.2 Å²	57.2	40%	0.404	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.7	-177.8	-65.5	-174.4	178.7	-175.5	0	111.9	T38 V42 R46 N271	T38-K40 PolarHBondContact O-N 2.78Å; T38-K40 PolarHBondContact OG1-N 3.26Å; T38-K40 PolarHBondContact OG1-O 2.91Å; K40-V42 PolarHBondContact O-N 3.41Å; K40-R46 WeakPolarHBondContact CA-O 3.43Å; K40-R46 WeakPolarHBondContact CB-O 3.34Å; K40-N271 PolarHBondContact O-ND2 2.63Å; K40-N271 VanDerWaalsContact O-ND2 3.1Å
41	N	94.6	Very high	94.1	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.011	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	104.7	155.4	178.9	-11	0	0	0	107.6	I43 Q44 N45 R46 D51 Y269	N41-I43 VanDerWaalsContact C-N 3.31Å; N41-I43 WeakPolarHBondContact OD1-CB 3.36Å; N41-I43 PolarHBondContact OD1-N 3.4Å; N41-Q44 PolarHBondContact OD1-N 3.47Å; N41-N45 VanDerWaalsContact O-CA 3.22Å; N41-N45 WeakPolarHBondContact O-CA 3.48Å; N41-N45 PolarHBondContact O-N 3.33Å; N41-R46 PolarHBondContact N-O 2.93Å; N41-R46 PolarHBondContact O-N 3.07Å; N41-R46 VanDerWaalsContact O-N 3.1Å; N41-D51 WeakPolarHBondContact CB-OD2 3.37Å; N41-D51 PolarHBondContact ND2-OD2 3.38Å; N41-Y269 HydrophobicContact CB-CD1 4.42Å; N41-Y269 HydrophobicContact CB-CG 4.42Å
42	V	93.5	Very high	93.9	Very high	42 Å²	42	60.6 Å²	60.6	26%	0.255	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-31	-176.5	178.7	0	0	0	0	110.4	T38 K40 N45 Y269 L353	T38-V42 HydrophobicContact CG2-CG2 4.25Å; K40-V42 PolarHBondContact O-N 3.41Å; V42-N45 PolarHBondContact O-N 3.28Å; V42-Y269 PolarHBondContact N-O 3.13Å; V42-L353 HydrophobicContact CG1-CD1 4.03Å
43	I	91.6	Very high	93.6	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.021	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-41.8	-179.6	-53.9	-56.3	0	0	0	111.4	N41 L337 Q351 L353 Y483	N41-I43 VanDerWaalsContact C-N 3.31Å; N41-I43 WeakPolarHBondContact OD1-CB 3.36Å; N41-I43 PolarHBondContact OD1-N 3.4Å; I43-L337 HydrophobicContact CD1-CD2 3.84Å; I43-L337 HydrophobicContact CG2-CD2 4.02Å; I43-Q351 HydrophobicContact CD1-CB 4.14Å; I43-Q351 HydrophobicContact CG1-CB 3.9Å; I43-L353 HydrophobicContact CD1-CD1 4.23Å; I43-L353 HydrophobicContact CD1-CD2 4.2Å; I43-L353 HydrophobicContact CD1-CG 3.82Å; I43-Y483 WeakPolarHBondContact O-CB 3.43Å; I43-Y483 PolarHBondContact O-N 3.12Å
44	Q	89	Confident	93.4	Very high	86 Å²	86	59.5 Å²	59.5	40%	0.402	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-4.4	178.3	-62.5	-169.7	-0.1	0	0	113.6	N41 R46	N41-Q44 PolarHBondContact OD1-N 3.47Å; Q44-R46 VanDerWaalsContact C-N 3.32Å; Q44-R46 HydrophobicContact CB-CG 4.08Å; Q44-R46 PolarHBondContact O-N 3.38Å
45	N	88.8	Confident	93.2	Very high	78 Å²	78	58 Å²	58	42%	0.417	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	49.7	-170.4	-176.4	46.3	0	0	0	112.7	N41 V42 Y483	N41-N45 VanDerWaalsContact O-CA 3.22Å; N41-N45 WeakPolarHBondContact O-CA 3.48Å; N41-N45 PolarHBondContact O-N 3.33Å; V42-N45 PolarHBondContact O-N 3.28Å; N45-Y483 HydrophobicContact CB-CD1 4.14Å; N45-Y483 HydrophobicContact CB-CD2 3.2Å; N45-Y483 HydrophobicContact CB-CE1 4.48Å; N45-Y483 HydrophobicContact CB-CE2 3.56Å; N45-Y483 HydrophobicContact CB-CG 3.51Å; N45-Y483 WeakPolarHBondContact ND2-CE2 3.46Å
46	R	90.4	Very high	93	Very high	122 Å²	122	61 Å²	61	46%	0.46	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	150	176	-67.2	-178.2	-178.8	178.3	2.1	110.5	K40 N41 Q44 D51	K40-R46 WeakPolarHBondContact CA-O 3.43Å; K40-R46 WeakPolarHBondContact CB-O 3.34Å; N41-R46 PolarHBondContact N-O 2.93Å; N41-R46 PolarHBondContact O-N 3.07Å; N41-R46 VanDerWaalsContact O-N 3.1Å; Q44-R46 VanDerWaalsContact C-N 3.32Å; Q44-R46 HydrophobicContact CB-CG 4.08Å; Q44-R46 PolarHBondContact O-N 3.38Å; R46-D51 HydrophobicContact CB-CB 4.21Å
47	T	93.3	Very high	93	Very high	42 Å²	42	61.6 Å²	61.6	26%	0.258	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	153	169.3	64.8	0	0	0	0	109.9	Q49 E50 D51	T47-Q49 PolarHBondContact O-N 3.43Å; T47-Q49 VanDerWaalsContact O-N 3.12Å; T47-E50 PolarHBondContact N-OE2 2.92Å; T47-E50 PolarHBondContact O-N 3.19Å; T47-E50 VanDerWaalsContact O-N 3.1Å; T47-E50 WeakPolarHBondContact OG1-CG 3.25Å; T47-E50 PolarHBondContact OG1-OE2 3.1Å; T47-D51 PolarHBondContact O-N 2.75Å
48	L	92.6	Very high	93	Very high	7 Å²	7	58.3 Å²	58.3	4%	0.037	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.4	-179.5	-62.1	172	0	0	0	113.2	A36 G39 A54 S55 L58 V59	A36-L48 HydrophobicContact CB-CD1 4.44Å; G39-L48 VanDerWaalsContact C-CG 3.5Å; G39-L48 WeakPolarHBondContact O-CG 3.31Å; L48-A54 HydrophobicContact CD2-CB 3.86Å; L48-S55 WeakPolarHBondContact O-CB 3.27Å; L48-L58 HydrophobicContact CD1-CB 3.81Å; L48-L58 HydrophobicContact CD1-CD1 4.4Å; L48-L58 HydrophobicContact CD2-CB 4.04Å; L48-L58 HydrophobicContact CD2-CD1 3.59Å; L48-L58 HydrophobicContact CD2-CG 4.49Å; L48-L58 HydrophobicContact CG-CB 4.39Å; L48-V59 HydrophobicContact CB-CG2 3.9Å; L48-V59 VanDerWaalsContact O-CG2 3.23Å; L48-V59 WeakPolarHBondContact O-CG2 3.01Å
49	Q	90.2	Very high	92.9	Very high	136 Å²	136	55.4 Å²	55.4	64%	0.636	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-27.2	177.3	-67.1	77	19.5	0	0	113.4	T47 V59	T47-Q49 PolarHBondContact O-N 3.43Å; T47-Q49 VanDerWaalsContact O-N 3.12Å; Q49-V59 HydrophobicContact CG-CG2 4.37Å
50	E	91.8	Very high	92.8	Very high	134 Å²	134	59.6 Å²	59.6	63%	0.626	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-20.5	179.7	-69.7	164	154.8	0	0	112.5	T47	T47-E50 PolarHBondContact N-OE2 2.92Å; T47-E50 PolarHBondContact O-N 3.19Å; T47-E50 VanDerWaalsContact O-N 3.1Å; T47-E50 WeakPolarHBondContact OG1-CG 3.25Å; T47-E50 PolarHBondContact OG1-OE2 3.1Å
51	D	92.1	Very high	92.6	Very high	6 Å²	6	61.7 Å²	61.7	3%	0.032	29%	0.291	C	S	.	.			trans	-92.8	108	-179.4	-167.6	-53.1	0	0	0	109.5	N41 R46 T47 E53 A54 S55	N41-D51 WeakPolarHBondContact CB-OD2 3.37Å; N41-D51 PolarHBondContact ND2-OD2 3.38Å; R46-D51 HydrophobicContact CB-CB 4.21Å; T47-D51 PolarHBondContact O-N 2.75Å; D51-E53 VanDerWaalsContact C-N 3.35Å; D51-E53 PolarHBondContact O-N 3.35Å; D51-E53 PolarHBondContact OD1-N 3.39Å; D51-A54 HydrophobicContact CB-CB 3.9Å; D51-A54 PolarHBondContact O-N 2.74Å; D51-A54 PolarHBondContact OD1-N 2.99Å; D51-S55 VanDerWaalsContact O-CB 3.24Å; D51-S55 WeakPolarHBondContact O-CB 3.4Å; D51-S55 PolarHBondContact O-N 2.95Å
52	E	91.6	Very high	92.5	Very high	164 Å²	164	66.8 Å²	66.8	77%	0.766	33%	0.325	S	S	*	.	H	α-helix	trans	-58.8	-45.7	-173.7	-68.2	-179.6	171.9	0	0	111.5	S55	E52-S55 PolarHBondContact O-N 3.13Å; E52-S55 PolarHBondContact O-OG 3.07Å
53	E	92	Very high	92.6	Very high	97 Å²	97	67 Å²	67	45%	0.453	32%	0.323	S	S	.	.	H	α-helix	trans	-65.6	-52.2	179.1	-57.1	-58.5	157.2	0	0	111.3	D51 S55 V56 F57 Y269	D51-E53 VanDerWaalsContact C-N 3.35Å; D51-E53 PolarHBondContact O-N 3.35Å; D51-E53 PolarHBondContact OD1-N 3.39Å; E53-S55 PolarHBondContact O-N 2.96Å; E53-S55 VanDerWaalsContact O-N 3.13Å; E53-V56 WeakPolarHBondContact O-CB 3.22Å; E53-V56 PolarHBondContact O-N 3.06Å; E53-V56 VanDerWaalsContact O-N 3.1Å; E53-F57 WeakPolarHBondContact O-CD2 3.5Å; E53-Y269 PolarHBondContact O-OH 3.48Å
54	A	94.4	Very high	92.8	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64	-24.6	-179.8	0	0	0	0	0	112.6	L48 D51 V56 F57 L58 Y269	L48-A54 HydrophobicContact CD2-CB 3.86Å; D51-A54 HydrophobicContact CB-CB 3.9Å; D51-A54 PolarHBondContact O-N 2.74Å; D51-A54 PolarHBondContact OD1-N 2.99Å; A54-V56 VanDerWaalsContact C-N 3.28Å; A54-V56 PolarHBondContact O-N 3.46Å; A54-F57 PolarHBondContact O-N 3.5Å; A54-L58 WeakPolarHBondContact O-CB 3.19Å; A54-L58 PolarHBondContact O-N 3.1Å; A54-Y269 VanDerWaalsContact CA-CZ 3.5Å; A54-Y269 WeakPolarHBondContact CA-OH 3.5Å; A54-Y269 HydrophobicContact CB-CD1 4.28Å; A54-Y269 HydrophobicContact CB-CD2 3.96Å; A54-Y269 HydrophobicContact CB-CE1 3.98Å; A54-Y269 HydrophobicContact CB-CE2 3.64Å; A54-Y269 HydrophobicContact CB-CG 4.28Å; A54-Y269 PolarHBondContact N-OH 3.06Å
55	S	94.4	Very high	93.1	Very high	19 Å²	19	64.6 Å²	64.6	13%	0.133	31%	0.31	C	S	.	.	H	α-helix	trans	-69.5	-23.2	178.2	85.8	0	0	0	0	114	L48 D51 E52 E53 V59	L48-S55 WeakPolarHBondContact O-CB 3.27Å; D51-S55 VanDerWaalsContact O-CB 3.24Å; D51-S55 WeakPolarHBondContact O-CB 3.4Å; D51-S55 PolarHBondContact O-N 2.95Å; E52-S55 PolarHBondContact O-N 3.13Å; E52-S55 PolarHBondContact O-OG 3.07Å; E53-S55 PolarHBondContact O-N 2.96Å; E53-S55 VanDerWaalsContact O-N 3.13Å; S55-V59 WeakPolarHBondContact O-CB 3.4Å
56	V	94.6	Very high	93.5	Very high	65 Å²	65	61 Å²	61	39%	0.394	29%	0.291	S	S	.	.	H	α-helix	trans	-63.9	-46	175.9	177.1	0	0	0	0	110	E53 A54 S258	E53-V56 WeakPolarHBondContact O-CB 3.22Å; E53-V56 PolarHBondContact O-N 3.06Å; E53-V56 VanDerWaalsContact O-N 3.1Å; A54-V56 VanDerWaalsContact C-N 3.28Å; A54-V56 PolarHBondContact O-N 3.46Å; V56-S258 VanDerWaalsContact O-CB 3.31Å; V56-S258 WeakPolarHBondContact O-CB 3.48Å
57	F	96.4	Very high	93.8	Very high	13 Å²	13	56.4 Å²	56.4	6%	0.057	28%	0.277	C	S	.	.	H	α-helix	trans	-94.7	-37.1	-172.3	-52.3	-79	0	0	0	113.9	E53 A54 E257 K260 M261 L268 Y269 A348	E53-F57 WeakPolarHBondContact O-CD2 3.5Å; A54-F57 PolarHBondContact O-N 3.5Å; F57-E257 HydrophobicContact CE1-CG 4.43Å; F57-E257 WeakPolarHBondContact CE1-O 3.1Å; F57-K260 WeakPolarHBondContact CD1-O 3.44Å; F57-M261 HydrophobicContact CB-SD 4.47Å; F57-L268 HydrophobicContact CB-CD2 4.46Å; F57-Y269 WeakPolarHBondContact CD2-OH 3.41Å; F57-A348 HydrophobicContact CE2-CB 3.8Å; F57-A348 HydrophobicContact CZ-CB 3.73Å
58	L	96.4	Very high	94	Very high	3 Å²	3	56 Å²	56	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-112.6	-5	-163.8	-61.6	170.6	0	0	0	114.8	A36 L48 A54 P67 M261 L268 Y269	A36-L58 HydrophobicContact CB-CD1 3.55Å; A36-L58 HydrophobicContact CB-CD2 3.84Å; A36-L58 HydrophobicContact CB-CG 4.27Å; L48-L58 HydrophobicContact CD1-CB 3.81Å; L48-L58 HydrophobicContact CD1-CD1 4.4Å; L48-L58 HydrophobicContact CD2-CB 4.04Å; L48-L58 HydrophobicContact CD2-CD1 3.59Å; L48-L58 HydrophobicContact CD2-CG 4.49Å; L48-L58 HydrophobicContact CG-CB 4.39Å; A54-L58 WeakPolarHBondContact O-CB 3.19Å; A54-L58 PolarHBondContact O-N 3.1Å; L58-P67 HydrophobicContact CB-CB 4.27Å; L58-P67 HydrophobicContact CD2-CB 3.65Å; L58-P67 VanDerWaalsContact O-CD 3.25Å; L58-P67 WeakPolarHBondContact O-CD 3.38Å; L58-P67 WeakPolarHBondContact O-CG 3.49Å; L58-M261 HydrophobicContact CD2-CE 3.56Å; L58-L268 HydrophobicContact CD1-CB 4.34Å; L58-L268 HydrophobicContact CD2-CD2 4.36Å; L58-Y269 HydrophobicContact CD1-CD2 3.44Å; L58-Y269 VanDerWaalsContact CD1-CD2 3.44Å; L58-Y269 HydrophobicContact CD1-CE2 3.76Å; L58-Y269 HydrophobicContact CG-CE2 4.5Å
59	V	94.8	Very high	94.3	Very high	17 Å²	17	55.8 Å²	55.8	10%	0.103	27%	0.273	C	S	.	.	S	Bend	trans	-96.7	122.3	177.6	174	0	0	0	0	110.8	L48 Q49 S55 R61	L48-V59 HydrophobicContact CB-CG2 3.9Å; L48-V59 VanDerWaalsContact O-CG2 3.23Å; L48-V59 WeakPolarHBondContact O-CG2 3.01Å; Q49-V59 HydrophobicContact CG-CG2 4.37Å; S55-V59 WeakPolarHBondContact O-CB 3.4Å; V59-R61 HydrophobicContact CG1-CG 4.35Å; V59-R61 PolarHBondContact O-N 3.36Å
60	K	92.2	Very high	94.7	Very high	122 Å²	122	51.8 Å²	51.8	53%	0.53	25%	0.254	S	S	.	.			trans	-65	126	173.7	-171.5	175.2	-176.4	175.6	0	110.8	H241	K60-H241 WeakPolarHBondContact CE-O 3.43Å; K60-H241 PolarHBondContact NZ-O 2.72Å
61	R	90.8	Very high	95	Very high	136 Å²	136	45.4 Å²	45.4	51%	0.513	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-130.7	168.4	175.1	-64	-175.5	-177.2	-93.2	2.6	110	V59 Q63 R64	V59-R61 HydrophobicContact CG1-CG 4.35Å; V59-R61 PolarHBondContact O-N 3.36Å; R61-Q63 PolarHBondContact O-N 3.13Å; R61-R64 HydrophobicContact CB-CB 3.96Å; R61-R64 HydrophobicContact CB-CG 3.92Å; R61-R64 PolarHBondContact O-N 2.94Å
62	P	92.1	Very high	95.3	Very high	109 Å²	109	45.1 Å²	45.1	71%	0.708	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-30.6	-177.7	-29.9	37.2	0	0	0	115.1	I242	P62-I242 WeakPolarHBondContact O-CG2 3.23Å
63	Q	94.6	Very high	95.6	Very high	47 Å²	47	37.6 Å²	37.6	22%	0.22	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	21	179.1	-56	-56.4	-37.6	0	0	112.5	R61 N244 I246 L249 F255	R61-Q63 PolarHBondContact O-N 3.13Å; Q63-N244 PolarHBondContact NE2-O 3.39Å; Q63-I246 HydrophobicContact CG-CG2 4.45Å; Q63-I246 VanDerWaalsContact OE1-N 3.09Å; Q63-L249 HydrophobicContact CB-CD1 3.98Å; Q63-F255 VanDerWaalsContact O-CD2 3.29Å; Q63-F255 WeakPolarHBondContact O-CD2 3.37Å
64	R	95.5	Very high	96	Very high	38 Å²	38	33 Å²	33	14%	0.143	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-134.6	137.4	-177.7	-56.8	-71.6	178.7	-98.5	-3	110.3	R61 D252 D254 S258	R61-R64 HydrophobicContact CB-CB 3.96Å; R61-R64 HydrophobicContact CB-CG 3.92Å; R61-R64 PolarHBondContact O-N 2.94Å; R64-D252 IonicContact CZ-OD1 2.9Å; R64-D252 IonicContact NH1-OD1 3.23Å; R64-D252 PolarHBondContact NH1-OD1 3.24Å; R64-D252 IonicContact NH2-OD1 3.9Å; R64-D252 PolarHBondContact NH2-OD1 2.94Å; R64-D252 VanDerWaalsContact NH2-OD1 3.15Å; R64-D254 PolarHBondContact NE-O 3.46Å; R64-D254 IonicContact NH2-OD2 2.73Å; R64-S258 WeakPolarHBondContact CD-OG 3.21Å
65	I	97.1	Very high	96.2	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.176	C	C	.	.			trans	-69.7	-42.7	-175.5	-68	165.6	0	0	0	110.9	Y69 L234 N237 I238 H241 I242 F255	I65-Y69 HydrophobicContact CB-CE1 3.89Å; I65-Y69 HydrophobicContact CD1-CD1 4.33Å; I65-Y69 HydrophobicContact CD1-CE1 3.58Å; I65-Y69 HydrophobicContact CG1-CE1 4.33Å; I65-Y69 HydrophobicContact CG2-CD1 3.95Å; I65-Y69 HydrophobicContact CG2-CD2 4.47Å; I65-Y69 HydrophobicContact CG2-CE1 3.55Å; I65-Y69 HydrophobicContact CG2-CE2 4.15Å; I65-Y69 HydrophobicContact CG2-CG 4.38Å; I65-L234 HydrophobicContact CD1-CD1 4.25Å; I65-N237 HydrophobicContact CD1-CB 3.99Å; I65-I238 HydrophobicContact CD1-CG1 4.29Å; I65-H241 HydrophobicContact CB-CB 4.44Å; I65-H241 HydrophobicContact CG2-CB 4.02Å; I65-I242 HydrophobicContact CG1-CD1 4.12Å; I65-F255 HydrophobicContact CD1-CE2 4.23Å; I65-F255 HydrophobicContact CD1-CZ 4.12Å; I65-F255 HydrophobicContact CG1-CE2 4.3Å
66	G	96.1	Very high	96.3	Very high	2 Å²	2	36.4 Å²	36.4	2%	0.021	18%	0.18	C	C	.	.			trans	92.1	-151.2	-175.7	0	0	0	0	0	111.6	V68 Y69	G66-V68 PolarHBondContact O-N 3.22Å; G66-Y69 WeakPolarHBondContact O-CE2 3.25Å; G66-Y69 PolarHBondContact O-OH 3.43Å
67	P	96.7	Very high	96.5	Very high	27 Å²	27	34 Å²	34	18%	0.175	16%	0.163	C	C	.	.	S	Bend	trans	-89.6	-3.5	-164.3	33.4	-31.3	0	0	0	114.5	N34 Y35 L58	N34-P67 WeakPolarHBondContact CA-O 3.31Å; N34-P67 PolarHBondContact OD1-O 3.21Å; Y35-P67 PolarHBondContact N-O 2.66Å; L58-P67 HydrophobicContact CB-CB 4.27Å; L58-P67 HydrophobicContact CD2-CB 3.65Å; L58-P67 VanDerWaalsContact O-CD 3.25Å; L58-P67 WeakPolarHBondContact O-CD 3.38Å; L58-P67 WeakPolarHBondContact O-CG 3.49Å
68	V	98.2	Very high	96.5	Very high	34 Å²	34	35.8 Å²	35.8	21%	0.206	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.6	-170.1	-178.2	0	0	0	0	110.8	S32 W33 N34 G66 H241	S32-V68 WeakPolarHBondContact OG-CG1 3.45Å; W33-V68 CarbonylContact O-C 3.54Å; W33-V68 VanDerWaalsContact O-CA 3.27Å; W33-V68 WeakPolarHBondContact O-CA 3.41Å; N34-V68 HydrophobicContact CB-CG2 4Å; G66-V68 PolarHBondContact O-N 3.22Å; V68-H241 PolarHBondContact O-CE1 3.08Å; V68-H241 PolarHBondContact O-NE2 3.22Å
69	Y	98.6	Very high	96.5	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.9	-178.5	-67.4	-101	0	0	0	111.2	W33 Y35 I65 G66 E228 N237 N259 M261	W33-Y69 PolarHBondContact N-O 3.25Å; W33-Y69 PolarHBondContact O-N 3.46Å; Y35-Y69 AromaticContact CD2-CD2 3.76Å; Y35-Y69 HydrophobicContact CD2-CD2 3.76Å; Y35-Y69 HydrophobicContact CD2-CE2 4.2Å; Y35-Y69 AromaticContact CE2-CD2 3.56Å; Y35-Y69 HydrophobicContact CE2-CD2 3.56Å; Y35-Y69 HydrophobicContact CE2-CE2 4.16Å; Y35-Y69 HydrophobicContact CE2-CG 4.19Å; I65-Y69 HydrophobicContact CB-CE1 3.89Å; I65-Y69 HydrophobicContact CD1-CD1 4.33Å; I65-Y69 HydrophobicContact CD1-CE1 3.58Å; I65-Y69 HydrophobicContact CG1-CE1 4.33Å; I65-Y69 HydrophobicContact CG2-CD1 3.95Å; I65-Y69 HydrophobicContact CG2-CD2 4.47Å; I65-Y69 HydrophobicContact CG2-CE1 3.55Å; I65-Y69 HydrophobicContact CG2-CE2 4.15Å; I65-Y69 HydrophobicContact CG2-CG 4.38Å; G66-Y69 WeakPolarHBondContact O-CE2 3.25Å; G66-Y69 PolarHBondContact O-OH 3.43Å; Y69-E228 HydrophobicContact CD1-CB 3.73Å; Y69-E228 HydrophobicContact CD1-CG 3.54Å; Y69-E228 HydrophobicContact CD2-CG 4.31Å; Y69-E228 HydrophobicContact CE1-CB 3.62Å; Y69-E228 HydrophobicContact CE1-CG 3.72Å; Y69-E228 HydrophobicContact CE2-CG 4.44Å; Y69-E228 HydrophobicContact CG-CG 3.87Å; Y69-N237 HydrophobicContact CD1-CB 4.32Å; Y69-N259 PolarHBondContact OH-OD1 2.84Å; Y69-M261 HydrophobicContact CE2-CE 4.29Å; Y69-M261 HydrophobicContact CE2-CG 4.48Å; Y69-M261 HydrophobicContact CE2-SD 4.16Å
70	K	98.6	Very high	96.5	Very high	53 Å²	53	40.8 Å²	40.8	23%	0.23	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	128.1	166.1	-175.6	-179.6	174.3	-172.8	0	109.3	E30 V31 Y233 D236 N237	E30-K70 WeakPolarHBondContact OE2-CE 3.32Å; E30-K70 IonicContact OE2-NZ 3.77Å; E30-K70 PolarHBondContact OE2-NZ 3.04Å; V31-K70 CarbonylContact O-C 3.6Å; V31-K70 WeakPolarHBondContact O-CA 3.38Å; K70-Y233 HydrophobicContact CB-CG 4.43Å; K70-Y233 HydrophobicContact CD-CD1 3.81Å; K70-Y233 HydrophobicContact CD-CE1 4.42Å; K70-Y233 HydrophobicContact CD-CG 4.19Å; K70-Y233 HydrophobicContact CG-CD1 4.13Å; K70-Y233 HydrophobicContact CG-CG 4.07Å; K70-Y233 WeakPolarHBondContact O-CB 3.45Å; K70-Y233 WeakPolarHBondContact O-CD2 3.37Å; K70-D236 HydrophobicContact CD-CB 4.23Å; K70-D236 IonicContact NZ-OD2 2.75Å; K70-D236 PolarHBondContact NZ-OD2 2.9Å; K70-N237 WeakPolarHBondContact CB-OD1 3.24Å; K70-N237 PolarHBondContact N-OD1 2.94Å
71	K	98.4	Very high	96.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.8	-177.6	-61.8	-163.6	77.2	71.1	0	110.9	E30 V31 W33 Y35 Y94 A192 S193 E228	E30-K71 CarbonylContact C-O 3.57Å; E30-K71 VanDerWaalsContact CA-O 3.24Å; E30-K71 WeakPolarHBondContact CA-O 3.48Å; V31-K71 HydrophobicContact CG2-CB 4.39Å; V31-K71 PolarHBondContact N-O 2.89Å; V31-K71 PolarHBondContact O-N 3.1Å; W33-K71 HydrophobicContact CB-CB 4.38Å; W33-K71 HydrophobicContact CB-CD 3.57Å; W33-K71 HydrophobicContact CB-CG 3.89Å; W33-K71 HydrophobicContact CG-CD 3.81Å; Y35-K71 PolarHBondContact OH-NZ 3.24Å; Y35-K71 VanDerWaalsContact OH-NZ 3.15Å; K71-Y94 HydrophobicContact CD-CD1 4.49Å; K71-A192 PolarHBondContact NZ-O 2.85Å; K71-S193 CarbonylContact C-O 3.25Å; K71-S193 VanDerWaalsContact CA-O 3.25Å; K71-S193 WeakPolarHBondContact CA-O 3.22Å; K71-S193 WeakPolarHBondContact CB-O 3.35Å; K71-E228 IonicContact NZ-OE1 3.57Å; K71-E228 PolarHBondContact NZ-OE1 3.29Å; K71-E228 IonicContact NZ-OE2 3.47Å
72	A	98.4	Very high	96.9	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	132.5	167.1	0	0	0	0	0	109.7	I28 E29 Y119 S193 G194 L195 Y233	I28-A72 HydrophobicContact CG2-CB 4.28Å; E29-A72 WeakPolarHBondContact O-CA 3.24Å; A72-Y119 HydrophobicContact CB-CE2 3.9Å; A72-S193 PolarHBondContact N-O 2.73Å; A72-G194 CarbonylContact O-C 3.6Å; A72-G194 WeakPolarHBondContact O-CA 3.31Å; A72-L195 HydrophobicContact CB-CD1 4.22Å; A72-L195 HydrophobicContact CB-CD2 3.97Å; A72-L195 HydrophobicContact CB-CG 3.98Å; A72-L195 WeakPolarHBondContact O-CD2 3.37Å; A72-L195 PolarHBondContact O-N 2.94Å; A72-Y233 HydrophobicContact CB-CE2 3.85Å
73	V	98.3	Very high	97	Very high	6 Å²	6	38.2 Å²	38.2	4%	0.036	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.6	-176.4	-61.3	0	0	0	0	111.6	I28 E29 V31 K75 Y94	I28-V73 WeakPolarHBondContact CA-O 3.38Å; E29-V73 PolarHBondContact N-O 2.82Å; E29-V73 PolarHBondContact O-N 2.91Å; V31-V73 HydrophobicContact CB-CG2 4.46Å; V31-V73 HydrophobicContact CG1-CG2 3.75Å; V31-V73 HydrophobicContact CG2-CB 4.48Å; V31-V73 HydrophobicContact CG2-CG1 3.8Å; V31-V73 HydrophobicContact CG2-CG2 3.82Å; V73-K75 HydrophobicContact CG2-CG 4.32Å; V73-Y94 WeakPolarHBondContact CG1-O 3.24Å
74	Y	98.7	Very high	97.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133.8	167.3	-62.2	-75.9	0	0	0	110.6	I28 L111 S120 I121 Y181 S183 L195	I28-Y74 HydrophobicContact CD1-CD1 4.39Å; I28-Y74 HydrophobicContact CD1-CE1 3.8Å; I28-Y74 HydrophobicContact CG1-CD1 3.72Å; I28-Y74 HydrophobicContact CG1-CE1 3.65Å; Y74-L111 HydrophobicContact CD1-CD1 4.09Å; Y74-L111 HydrophobicContact CE1-CD1 3.94Å; Y74-S120 PolarHBondContact OH-O 3.3Å; Y74-I121 HydrophobicContact CE1-CB 4.33Å; Y74-I121 HydrophobicContact CE1-CD1 4.28Å; Y74-I121 HydrophobicContact CE1-CG1 4.35Å; Y74-Y181 HydrophobicContact CD2-CD2 4.32Å; Y74-Y181 AromaticContact CD2-CE2 3.66Å; Y74-Y181 HydrophobicContact CD2-CE2 3.66Å; Y74-Y181 HydrophobicContact CE2-CD2 4.06Å; Y74-Y181 AromaticContact CE2-CE2 3.87Å; Y74-Y181 HydrophobicContact CE2-CE2 3.87Å; Y74-Y181 AromaticContact CG-CE2 4Å; Y74-Y181 HydrophobicContact CG-CE2 4Å; Y74-S183 WeakPolarHBondContact OH-CA 3.48Å; Y74-S183 PolarHBondContact OH-N 3.28Å; Y74-L195 HydrophobicContact CD2-CD2 4.16Å; Y74-L195 HydrophobicContact CE1-CD2 4.35Å; Y74-L195 HydrophobicContact CE2-CB 3.83Å; Y74-L195 HydrophobicContact CE2-CD2 4.01Å; Y74-L195 HydrophobicContact CG-CD2 4.42Å
75	K	98.3	Very high	97.2	Very high	46 Å²	46	41.3 Å²	41.3	20%	0.2	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.7	170.6	-71.4	-177.1	177.3	-174.2	0	111.5	L26 K27 E29 V73 Y77 E85	L26-K75 CarbonylContact C-O 3.54Å; L26-K75 WeakPolarHBondContact CA-O 3.24Å; K27-K75 PolarHBondContact N-O 3.22Å; K27-K75 PolarHBondContact O-N 3.33Å; E29-K75 WeakPolarHBondContact OE2-CD 3.38Å; E29-K75 WeakPolarHBondContact OE2-CE 3.21Å; E29-K75 IonicContact OE2-NZ 2.71Å; E29-K75 PolarHBondContact OE2-NZ 3.15Å; V73-K75 HydrophobicContact CG2-CG 4.32Å; K75-Y77 HydrophobicContact CB-CE2 3.91Å; K75-E85 HydrophobicContact CD-CG 4.48Å; K75-E85 WeakPolarHBondContact CD-OE2 3.36Å; K75-E85 IonicContact NZ-OE2 3.53Å; K75-E85 PolarHBondContact NZ-OE2 2.88Å
76	Q	98	Very high	97.1	Very high	45 Å²	45	44.8 Å²	44.8	21%	0.21	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	144.2	179.2	-161.8	175.2	-7.3	0	0	111.7	F25 L26 E85 L86 P97	F25-Q76 CarbonylContact O-C 3.58Å; F25-Q76 WeakPolarHBondContact O-CA 3.48Å; L26-Q76 HydrophobicContact CD2-CB 4.21Å; L26-Q76 HydrophobicContact CD2-CG 4.14Å; Q76-E85 WeakPolarHBondContact O-CA 3.13Å; Q76-L86 HydrophobicContact CB-CB 4.22Å; Q76-L86 HydrophobicContact CG-CB 4.41Å; Q76-L86 HydrophobicContact CG-CD1 3.98Å; Q76-L86 PolarHBondContact O-N 2.74Å; Q76-P97 HydrophobicContact CB-CB 3.86Å; Q76-P97 HydrophobicContact CB-CG 3.87Å; Q76-P97 HydrophobicContact CG-CB 4.44Å; Q76-P97 HydrophobicContact CG-CG 4.47Å; Q76-P97 VanDerWaalsContact OE1-CB 3.32Å
77	Y	98.2	Very high	97	Very high	13 Å²	13	52 Å²	52	5%	0.051	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	157.7	177.1	-71.7	-99.9	0	0	0	110.6	F25 K27 E29 K75 D79 Y82 T84 E85	F25-Y77 PolarHBondContact O-N 3.07Å; K27-Y77 HydrophobicContact CB-CD2 3.82Å; K27-Y77 HydrophobicContact CB-CE2 3.44Å; K27-Y77 VanDerWaalsContact CB-CE2 3.44Å; K27-Y77 HydrophobicContact CD-CE2 3.79Å; K27-Y77 HydrophobicContact CG-CE2 4.29Å; E29-Y77 PolarHBondContact OE1-OH 3.36Å; E29-Y77 PolarHBondContact OE2-OH 2.57Å; K75-Y77 HydrophobicContact CB-CE2 3.91Å; Y77-D79 VanDerWaalsContact C-N 3.31Å; Y77-D79 PolarHBondContact O-N 3.05Å; Y77-Y82 VanDerWaalsContact CD1-CA 3.5Å; Y77-Y82 WeakPolarHBondContact CD1-O 3.34Å; Y77-Y82 HydrophobicContact CD2-CD1 4Å; Y77-Y82 VanDerWaalsContact CE1-O 3.23Å; Y77-Y82 WeakPolarHBondContact CE1-O 3.48Å; Y77-Y82 AromaticContact CG-CD1 3.99Å; Y77-Y82 HydrophobicContact CG-CD1 3.99Å; Y77-T84 VanDerWaalsContact CA-O 3.31Å; Y77-T84 WeakPolarHBondContact CA-O 3.4Å; Y77-E85 HydrophobicContact CD1-CB 4.47Å; Y77-E85 HydrophobicContact CE1-CB 4.13Å
78	S	96.6	Very high	96.9	Very high	51 Å²	51	54 Å²	54	36%	0.357	27%	0.274	S	S	.	.	S	Bend	trans	-66	-31.3	-178.3	57.7	0	0	0	0	114.1	T84	S78-T84 PolarHBondContact N-O 2.73Å; S78-T84 WeakPolarHBondContact OG-CB 3.43Å
79	D	95.7	Very high	96.7	Very high	57 Å²	57	55.2 Å²	55.2	31%	0.305	28%	0.283	S	S	.	.	S	Bend	trans	-164.2	178.3	-169.7	57.7	61.4	0	0	0	112.2	F25 Y77 T81 Y82	F25-D79 VanDerWaalsContact CD1-C 3.42Å; F25-D79 VanDerWaalsContact CD2-CA 3.44Å; F25-D79 VanDerWaalsContact CG-C 3.41Å; Y77-D79 VanDerWaalsContact C-N 3.31Å; Y77-D79 PolarHBondContact O-N 3.05Å; D79-T81 PolarHBondContact O-N 2.78Å; D79-T81 WeakPolarHBondContact OD1-CA 3.37Å; D79-T81 WeakPolarHBondContact OD1-CB 3.22Å; D79-T81 VanDerWaalsContact OD1-CG2 3.28Å; D79-T81 WeakPolarHBondContact OD1-CG2 3.23Å; D79-T81 PolarHBondContact OD1-N 2.88Å; D79-T81 PolarHBondContact OD1-OG1 2.64Å; D79-Y82 PolarHBondContact O-N 3.24Å; D79-Y82 VanDerWaalsContact O-N 3.14Å
80	A	94.8	Very high	96.6	Very high	68 Å²	68	62 Å²	62	56%	0.562	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-7.9	-178.8	0	0	0	0	0	115.1	F25 Y82	F25-A80 HydrophobicContact CD1-CB 4.07Å; F25-A80 VanDerWaalsContact CD1-N 3.29Å; F25-A80 HydrophobicContact CE1-CB 3.68Å; F25-A80 VanDerWaalsContact CE1-N 3.32Å; A80-Y82 VanDerWaalsContact C-N 3.31Å; A80-Y82 WeakPolarHBondContact O-CD2 3.42Å; A80-Y82 WeakPolarHBondContact O-CE2 3.14Å
81	T	95.6	Very high	96.5	Very high	78 Å²	78	60.7 Å²	60.7	48%	0.479	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.7	174.9	74.1	0	0	0	0	112.5	D79 R83	D79-T81 PolarHBondContact O-N 2.78Å; D79-T81 WeakPolarHBondContact OD1-CA 3.37Å; D79-T81 WeakPolarHBondContact OD1-CB 3.22Å; D79-T81 VanDerWaalsContact OD1-CG2 3.28Å; D79-T81 WeakPolarHBondContact OD1-CG2 3.23Å; D79-T81 PolarHBondContact OD1-N 2.88Å; D79-T81 PolarHBondContact OD1-OG1 2.64Å; T81-R83 PolarHBondContact O-N 3.22Å
82	Y	95.7	Very high	96.4	Very high	18 Å²	18	60.9 Å²	60.9	7%	0.071	31%	0.309	C	S	.	.			trans	52.3	37.6	-176.6	-58.2	-87.2	0	0	0	113.4	F25 L26 K27 Y77 D79 A80 H110 R112	F25-Y82 HydrophobicContact CB-CE1 4.1Å; L26-Y82 WeakPolarHBondContact O-CE1 3.41Å; K27-Y82 HydrophobicContact CB-CD1 4.01Å; K27-Y82 HydrophobicContact CB-CE1 4.36Å; Y77-Y82 VanDerWaalsContact CD1-CA 3.5Å; Y77-Y82 WeakPolarHBondContact CD1-O 3.34Å; Y77-Y82 HydrophobicContact CD2-CD1 4Å; Y77-Y82 VanDerWaalsContact CE1-O 3.23Å; Y77-Y82 WeakPolarHBondContact CE1-O 3.48Å; Y77-Y82 AromaticContact CG-CD1 3.99Å; Y77-Y82 HydrophobicContact CG-CD1 3.99Å; D79-Y82 PolarHBondContact O-N 3.24Å; D79-Y82 VanDerWaalsContact O-N 3.14Å; A80-Y82 VanDerWaalsContact C-N 3.31Å; A80-Y82 WeakPolarHBondContact O-CD2 3.42Å; A80-Y82 WeakPolarHBondContact O-CE2 3.14Å; Y82-H110 PolarHBondContact OH-O 3.43Å; Y82-R112 HydrophobicContact CD1-CB 4.3Å; Y82-R112 HydrophobicContact CD2-CB 4.45Å; Y82-R112 HydrophobicContact CE1-CB 3.78Å; Y82-R112 HydrophobicContact CE2-CB 3.95Å
83	R	95.1	Very high	96.4	Very high	217 Å²	217	61.1 Å²	61.1	82%	0.819	31%	0.312	S	S	*	.			trans	-100	-38	-180	-67.5	-178.4	-179.9	-167.3	0.5	113.8	T81	T81-R83 PolarHBondContact O-N 3.22Å
84	T	97.1	Very high	96.3	Very high	82 Å²	82	61 Å²	61	50%	0.503	31%	0.311	S	S	.	.	S	Bend	trans	-106.2	104.3	-176.8	-50	0	0	0	0	109.3	Y77 S78	Y77-T84 VanDerWaalsContact CA-O 3.31Å; Y77-T84 WeakPolarHBondContact CA-O 3.4Å; S78-T84 PolarHBondContact N-O 2.73Å; S78-T84 WeakPolarHBondContact OG-CB 3.43Å
85	E	96.4	Very high	96.3	Very high	69 Å²	69	61 Å²	61	32%	0.322	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-70.2	131.4	174.5	-174.2	-176.4	132.5	0	0	109.9	K75 Q76 Y77 Q87	K75-E85 HydrophobicContact CD-CG 4.48Å; K75-E85 WeakPolarHBondContact CD-OE2 3.36Å; K75-E85 IonicContact NZ-OE2 3.53Å; K75-E85 PolarHBondContact NZ-OE2 2.88Å; Q76-E85 WeakPolarHBondContact O-CA 3.13Å; Y77-E85 HydrophobicContact CD1-CB 4.47Å; Y77-E85 HydrophobicContact CE1-CB 4.13Å; E85-Q87 PolarHBondContact OE1-NE2 3.28Å; E85-Q87 VanDerWaalsContact OE1-NE2 3.16Å
86	L	96.1	Very high	96.3	Very high	74 Å²	74	58.9 Å²	58.9	39%	0.387	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-84.8	119.9	170.3	-61.7	-176.1	0	0	0	108.8	Q76 K88	Q76-L86 HydrophobicContact CB-CB 4.22Å; Q76-L86 HydrophobicContact CG-CB 4.41Å; Q76-L86 HydrophobicContact CG-CD1 3.98Å; Q76-L86 PolarHBondContact O-N 2.74Å; L86-K88 PolarHBondContact O-N 2.94Å
87	Q	93.3	Very high	96.2	Very high	154 Å²	154	56.9 Å²	56.9	72%	0.72	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-68.1	124.7	-179.8	-68	-59.8	-62.1	0	0	110.1	E85	E85-Q87 PolarHBondContact OE1-NE2 3.28Å; E85-Q87 VanDerWaalsContact OE1-NE2 3.16Å
88	K	94	Very high	96.1	Very high	67 Å²	67	58 Å²	58	29%	0.291	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-84.8	152	173.7	72.2	-176.7	-179.1	179.8	0	110.2	L86 L92 G93 Y94 L95	L86-K88 PolarHBondContact O-N 2.94Å; K88-L92 HydrophobicContact CB-CD1 4Å; K88-L92 HydrophobicContact CD-CB 4.17Å; K88-L92 HydrophobicContact CD-CD1 4.41Å; K88-L92 HydrophobicContact CG-CB 4.47Å; K88-G93 WeakPolarHBondContact CE-O 3.06Å; K88-G93 PolarHBondContact NZ-O 3.12Å; K88-Y94 VanDerWaalsContact NZ-C 3.32Å; K88-Y94 PolarHBondContact NZ-O 3.26Å; K88-L95 PolarHBondContact NZ-O 3.39Å
89	P	95	Very high	96.1	Very high	61 Å²	61	55.5 Å²	55.5	40%	0.396	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-54.5	143.5	172.6	-26.9	33.2	0	0	0	113.1	W91 L92	P89-W91 HydrophobicContact CB-CD2 4.03Å; P89-W91 VanDerWaalsContact CB-CE2 3.42Å; P89-W91 HydrophobicContact CB-CG 4.13Å; P89-W91 HydrophobicContact CB-CZ2 3.88Å; P89-W91 HydrophobicContact CG-CZ2 3.88Å; P89-W91 PolarHBondContact O-N 2.7Å; P89-L92 WeakPolarHBondContact O-CB 3.23Å; P89-L92 PolarHBondContact O-N 3.37Å
90	E	96.1	Very high	96.1	Very high	142 Å²	142	54.6 Å²	54.6	66%	0.664	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-60	-33.1	-176.3	-60.8	-175.3	160	0	0	113	L92 G93 P273	E90-L92 PolarHBondContact O-N 3.24Å; E90-G93 PolarHBondContact O-N 3.01Å; E90-P273 HydrophobicContact CB-CG 3.97Å
91	W	96.7	Very high	96.2	Very high	27 Å²	27	51.4 Å²	51.4	10%	0.102	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-65.6	-17.4	179	57.1	-106.9	0	0	0	113.3	P89 G93 T218 Y219 A220 N265 L272 P273 L275	P89-W91 HydrophobicContact CB-CD2 4.03Å; P89-W91 VanDerWaalsContact CB-CE2 3.42Å; P89-W91 HydrophobicContact CB-CG 4.13Å; P89-W91 HydrophobicContact CB-CZ2 3.88Å; P89-W91 HydrophobicContact CG-CZ2 3.88Å; P89-W91 PolarHBondContact O-N 2.7Å; W91-G93 PolarHBondContact O-N 3.33Å; W91-T218 WeakPolarHBondContact CZ2-O 3.36Å; W91-Y219 AromaticContact CD1-CD1 3.77Å; W91-Y219 AromaticContact CD1-CE1 3.57Å; W91-Y219 AromaticContact CD2-CD1 3.76Å; W91-Y219 HydrophobicContact CD2-CD1 3.76Å; W91-Y219 HydrophobicContact CD2-CE1 4.36Å; W91-Y219 AromaticContact CE2-CD1 3.75Å; W91-Y219 HydrophobicContact CE3-CD1 4.35Å; W91-Y219 AromaticContact CG-CD1 3.83Å; W91-Y219 HydrophobicContact CG-CD1 3.83Å; W91-Y219 HydrophobicContact CG-CE1 4.04Å; W91-Y219 HydrophobicContact CZ2-CD1 4.39Å; W91-Y219 AromaticContact NE1-CD1 3.69Å; W91-Y219 AromaticContact NE1-CE1 3.62Å; W91-A220 HydrophobicContact CH2-CB 4.34Å; W91-A220 HydrophobicContact CZ3-CB 3.87Å; W91-A220 WeakPolarHBondContact CZ3-O 3.5Å; W91-N265 PolarHBondContact O-ND2 3.14Å; W91-L272 WeakPolarHBondContact O-CD1 3.28Å; W91-P273 VanDerWaalsContact CA-O 3.31Å; W91-P273 WeakPolarHBondContact CA-O 3.19Å; W91-P273 WeakPolarHBondContact CB-O 3.07Å; W91-L275 HydrophobicContact CB-CD2 3.78Å; W91-L275 HydrophobicContact CB-CG 4.46Å; W91-L275 HydrophobicContact CG-CD2 4.32Å
92	L	97.2	Very high	96.2	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.016	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-71	-14.2	175.7	-84	173.7	0	0	0	113.1	K88 P89 E90 Y94 L95 P198 A220	K88-L92 HydrophobicContact CB-CD1 4Å; K88-L92 HydrophobicContact CD-CB 4.17Å; K88-L92 HydrophobicContact CD-CD1 4.41Å; K88-L92 HydrophobicContact CG-CB 4.47Å; P89-L92 WeakPolarHBondContact O-CB 3.23Å; P89-L92 PolarHBondContact O-N 3.37Å; E90-L92 PolarHBondContact O-N 3.24Å; L92-Y94 PolarHBondContact O-N 3.34Å; L92-L95 HydrophobicContact CD2-CB 4.17Å; L92-L95 HydrophobicContact CD2-CD1 4.06Å; L92-L95 WeakPolarHBondContact O-CB 3.44Å; L92-L95 VanDerWaalsContact O-CG 3.28Å; L92-L95 WeakPolarHBondContact O-CG 3.21Å; L92-L95 PolarHBondContact O-N 3.44Å; L92-P198 HydrophobicContact CD2-CG 3.92Å; L92-A220 HydrophobicContact CD2-CB 4.37Å
93	G	97.1	Very high	96.2	Very high	5 Å²	5	49.2 Å²	49.2	5%	0.052	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	-127.3	180	0	0	0	0	0	112.8	W33 K88 E90 W91 L95 N265	W33-G93 VanDerWaalsContact CH2-CA 3.49Å; K88-G93 WeakPolarHBondContact CE-O 3.06Å; K88-G93 PolarHBondContact NZ-O 3.12Å; E90-G93 PolarHBondContact O-N 3.01Å; W91-G93 PolarHBondContact O-N 3.33Å; G93-L95 VanDerWaalsContact C-N 3.35Å; G93-N265 WeakPolarHBondContact CA-O 2.77Å
94	Y	96.6	Very high	96.2	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.016	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.5	176.9	69.2	-117.5	0	0	0	114	W33 K71 V73 K88 L92 I196 L222 S226 N265	W33-Y94 HydrophobicContact CD2-CD1 4.25Å; W33-Y94 AromaticContact CE2-CD1 3.8Å; W33-Y94 HydrophobicContact CG-CD1 4.47Å; W33-Y94 VanDerWaalsContact CH2-N 3.3Å; W33-Y94 HydrophobicContact CZ2-CD1 4.17Å; W33-Y94 AromaticContact NE1-CD1 3.75Å; K71-Y94 HydrophobicContact CD-CD1 4.49Å; V73-Y94 WeakPolarHBondContact CG1-O 3.24Å; K88-Y94 VanDerWaalsContact NZ-C 3.32Å; K88-Y94 PolarHBondContact NZ-O 3.26Å; L92-Y94 PolarHBondContact O-N 3.34Å; Y94-I196 HydrophobicContact CE2-CG2 3.75Å; Y94-L222 HydrophobicContact CE2-CD2 4.36Å; Y94-S226 PolarHBondContact OH-OG 2.89Å; Y94-N265 PolarHBondContact N-O 3.33Å
95	L	98.3	Very high	96.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-55.5	149.8	-174.6	-61.4	-176.2	0	0	0	112.6	K88 L92 G93 I196 L222 N265	K88-L95 PolarHBondContact NZ-O 3.39Å; L92-L95 HydrophobicContact CD2-CB 4.17Å; L92-L95 HydrophobicContact CD2-CD1 4.06Å; L92-L95 WeakPolarHBondContact O-CB 3.44Å; L92-L95 VanDerWaalsContact O-CG 3.28Å; L92-L95 WeakPolarHBondContact O-CG 3.21Å; L92-L95 PolarHBondContact O-N 3.44Å; G93-L95 VanDerWaalsContact C-N 3.35Å; L95-I196 HydrophobicContact CD2-CG1 4.46Å; L95-I196 HydrophobicContact CD2-CG2 3.73Å; L95-L222 HydrophobicContact CD1-CB 4.07Å; L95-L222 HydrophobicContact CD2-CB 3.88Å; L95-L222 HydrophobicContact CD2-CD2 3.54Å; L95-L222 HydrophobicContact CD2-CG 4.35Å; L95-L222 HydrophobicContact CG-CB 4.49Å; L95-N265 WeakPolarHBondContact CD1-OD1 3.17Å
96	G	98.2	Very high	96.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-57.9	166.2	169.3	0	0	0	0	0	113	Y181 I196 P198	G96-Y181 WeakPolarHBondContact CA-OH 3.5Å; G96-I196 PolarHBondContact N-O 3.16Å; G96-P198 WeakPolarHBondContact O-CD 3.02Å
97	P	97.3	Very high	96.3	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.026	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-59.6	149.9	175.2	27.6	-37.4	0	0	0	112.3	L26 Q76 L99 Y181	L26-P97 HydrophobicContact CD2-CG 3.43Å; L26-P97 VanDerWaalsContact CD2-CG 3.43Å; Q76-P97 HydrophobicContact CB-CB 3.86Å; Q76-P97 HydrophobicContact CB-CG 3.87Å; Q76-P97 HydrophobicContact CG-CB 4.44Å; Q76-P97 HydrophobicContact CG-CG 4.47Å; Q76-P97 VanDerWaalsContact OE1-CB 3.32Å; P97-L99 PolarHBondContact O-N 2.74Å; P97-Y181 WeakPolarHBondContact CD-OH 3.31Å; P97-Y181 WeakPolarHBondContact CG-OH 3.27Å; P97-Y181 WeakPolarHBondContact O-CE1 3.39Å; P97-Y181 PolarHBondContact O-OH 3.24Å
98	L	95.9	Very high	96.6	Very high	35 Å²	35	24.3 Å²	24.3	18%	0.183	13%	0.131	C	C	.	.			trans	-69.1	115.2	174.5	-175.7	66.6	0	0	0	110.4	M100 P198 L200	L98-M100 HydrophobicContact CD2-CG 4.37Å; L98-M100 HydrophobicContact CD2-SD 4.16Å; L98-M100 HydrophobicContact CG-CG 4.13Å; L98-P198 HydrophobicContact CB-CG 4.37Å; L98-P198 HydrophobicContact CD1-CB 3.76Å; L98-P198 HydrophobicContact CD1-CG 3.68Å; L98-L200 HydrophobicContact CD1-CD1 4.12Å; L98-L200 HydrophobicContact CD1-CD2 4.13Å; L98-L200 HydrophobicContact CD1-CG 3.77Å; L98-L200 HydrophobicContact CD2-CD1 4.15Å; L98-L200 HydrophobicContact CG-CD1 4.47Å; L98-L200 HydrophobicContact CG-CG 4.45Å
99	L	96.5	Very high	96.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	146	170.7	-57.4	-173.9	0	0	0	109.5	Y24 P97 V109 W161 Y181 P198 L199 L200	Y24-L99 HydrophobicContact CD1-CD2 3.29Å; Y24-L99 HydrophobicContact CD2-CD2 3.99Å; Y24-L99 HydrophobicContact CE1-CD2 3.53Å; Y24-L99 HydrophobicContact CE2-CD2 4.18Å; Y24-L99 HydrophobicContact CG-CD2 3.54Å; P97-L99 PolarHBondContact O-N 2.74Å; L99-V109 HydrophobicContact CD1-CG2 4.36Å; L99-W161 HydrophobicContact CD1-CZ3 4.19Å; L99-Y181 HydrophobicContact CB-CE1 4.27Å; L99-Y181 HydrophobicContact CD1-CD1 3.66Å; L99-Y181 HydrophobicContact CD1-CE1 3.52Å; L99-Y181 HydrophobicContact CD1-CG 4.29Å; L99-Y181 HydrophobicContact CG-CD1 4.06Å; L99-Y181 HydrophobicContact CG-CE1 3.51Å; L99-P198 PolarHBondContact N-O 3.05Å; L99-L199 HydrophobicContact CB-CB 4.5Å; L99-L199 HydrophobicContact CB-CD1 3.65Å; L99-L199 CarbonylContact O-C 3.5Å; L99-L199 WeakPolarHBondContact O-CA 3.25Å; L99-L200 PolarHBondContact O-N 3.29Å
100	M	95.4	Very high	96.9	Very high	38 Å²	38	19.7 Å²	19.7	19%	0.187	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	143.3	179.4	-58.9	178.7	-83.8	0	0	110.9	R22 Y24 L98 L200 L207	R22-M100 WeakPolarHBondContact CD-O 3.36Å; Y24-M100 PolarHBondContact OH-N 2.86Å; Y24-M100 VanDerWaalsContact OH-N 3.15Å; Y24-M100 PolarHBondContact OH-O 2.76Å; Y24-M100 VanDerWaalsContact OH-O 3.1Å; L98-M100 HydrophobicContact CD2-CG 4.37Å; L98-M100 HydrophobicContact CD2-SD 4.16Å; L98-M100 HydrophobicContact CG-CG 4.13Å; M100-L200 WeakPolarHBondContact CA-O 3.13Å; M100-L200 HydrophobicContact CG-CB 4.08Å; M100-L200 HydrophobicContact CG-CD1 4.16Å; M100-L200 HydrophobicContact CG-CG 4.2Å; M100-L200 HydrophobicContact SD-CD1 4.31Å; M100-L207 HydrophobicContact CB-CD1 3.7Å; M100-L207 HydrophobicContact CB-CD2 4.5Å; M100-L207 HydrophobicContact SD-CD2 4.04Å
101	A	95.8	Very high	97.1	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.5	176.9	0	0	0	0	0	111.1	D105 V107 L126 L163 L200 C202	A101-D105 HydrophobicContact CB-CB 4.48Å; A101-V107 HydrophobicContact CB-CG2 3.59Å; A101-L126 HydrophobicContact CB-CD2 4.4Å; A101-L163 HydrophobicContact CB-CB 4.21Å; A101-L163 HydrophobicContact CB-CD2 3.77Å; A101-L163 WeakPolarHBondContact O-CD2 3.22Å; A101-L200 PolarHBondContact N-O 3.41Å; A101-C202 PolarHBondContact O-N 2.78Å
102	E	96.1	Very high	97.1	Very high	18 Å²	18	15.9 Å²	15.9	8%	0.084	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	161.4	167.5	-56.2	-164.7	136.1	0	0	112.6	G104 D105 L163 C202 G205 T206 L207	E102-G104 PolarHBondContact O-N 3.46Å; E102-G104 VanDerWaalsContact O-N 3.09Å; E102-D105 WeakPolarHBondContact CB-OD2 3.34Å; E102-D105 PolarHBondContact N-OD2 3.43Å; E102-D105 WeakPolarHBondContact O-CB 3.46Å; E102-D105 PolarHBondContact O-N 3.37Å; E102-L163 VanDerWaalsContact C-CD2 3.48Å; E102-C202 CarbonylContact C-O 3.6Å; E102-C202 VanDerWaalsContact CA-O 3.3Å; E102-C202 WeakPolarHBondContact CA-O 3.32Å; E102-G205 VanDerWaalsContact CD-N 3.26Å; E102-G205 WeakPolarHBondContact OE1-CA 3.18Å; E102-G205 PolarHBondContact OE1-N 2.94Å; E102-G205 PolarHBondContact OE2-N 2.97Å; E102-T206 PolarHBondContact OE1-N 3.42Å; E102-L207 HydrophobicContact CG-CB 4.02Å; E102-L207 HydrophobicContact CG-CD1 3.65Å; E102-L207 HydrophobicContact CG-CG 3.8Å; E102-L207 WeakPolarHBondContact OE1-CB 3.37Å; E102-L207 PolarHBondContact OE1-N 3.35Å
103	D	96	Very high	97.2	Very high	33 Å²	33	15.8 Å²	15.8	18%	0.176	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	115.2	168.4	172.3	26.7	0	0	0	112.5	E165 S168 C202 R204	D103-E165 PolarHBondContact OD1-N 3.08Å; D103-S168 WeakPolarHBondContact CA-OG 3.19Å; D103-S168 VanDerWaalsContact CB-OG 3.28Å; D103-S168 WeakPolarHBondContact CB-OG 3.19Å; D103-C202 PolarHBondContact N-O 3.4Å; D103-R204 HydrophobicContact CB-CB 4.21Å; D103-R204 PolarHBondContact O-NE 3.44Å; D103-R204 PolarHBondContact O-NH2 3.49Å; D103-R204 IonicContact OD1-NH2 2.91Å; D103-R204 IonicContact OD2-CZ 2.66Å; D103-R204 IonicContact OD2-NH2 3.91Å
104	G	95.3	Very high	97.3	Very high	29 Å²	29	17.8 Å²	17.8	30%	0.299	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.8	-11.9	-177.8	0	0	0	0	0	114.1	G19 E102 L163	G19-G104 WeakPolarHBondContact CA-O 3.3Å; E102-G104 PolarHBondContact O-N 3.46Å; E102-G104 VanDerWaalsContact O-N 3.09Å; G104-L163 PolarHBondContact N-O 3.12Å
105	D	96.8	Very high	97.3	Very high	4 Å²	4	18 Å²	18	2%	0.021	10%	0.1	C	C	.	.			trans	-72.4	153.8	-177	-71.3	-13.3	0	0	0	112.7	M20 R22 A101 E102 T162 L163	M20-D105 WeakPolarHBondContact CB-OD1 3.15Å; M20-D105 PolarHBondContact N-OD1 2.98Å; M20-D105 CarbonylContact O-C 3.57Å; M20-D105 VanDerWaalsContact O-CA 3.29Å; M20-D105 WeakPolarHBondContact O-CA 3.25Å; M20-D105 WeakPolarHBondContact O-CB 3.22Å; R22-D105 IonicContact CZ-OD2 2.9Å; R22-D105 VanDerWaalsContact CZ-OD2 3.23Å; R22-D105 IonicContact NE-OD2 3.93Å; R22-D105 PolarHBondContact NE-OD2 3.13Å; R22-D105 IonicContact NH2-OD2 2.65Å; R22-D105 PolarHBondContact NH2-OD2 2.86Å; A101-D105 HydrophobicContact CB-CB 4.48Å; E102-D105 WeakPolarHBondContact CB-OD2 3.34Å; E102-D105 PolarHBondContact N-OD2 3.43Å; E102-D105 WeakPolarHBondContact O-CB 3.46Å; E102-D105 PolarHBondContact O-N 3.37Å; D105-T162 WeakPolarHBondContact O-CA 3.47Å; D105-L163 PolarHBondContact O-N 2.65Å
106	T	97.4	Very high	97.3	Very high	35 Å²	35	21.8 Å²	21.8	22%	0.215	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.5	168.4	-53.5	0	0	0	0	108.9	M20 R21 R22 I108 E160 W161 T162	M20-T106 PolarHBondContact O-N 3.46Å; R21-T106 CarbonylContact C-O 3.56Å; R21-T106 WeakPolarHBondContact CA-O 3.26Å; R22-T106 PolarHBondContact N-O 2.93Å; T106-I108 HydrophobicContact CG2-CD1 4.19Å; T106-I108 HydrophobicContact CG2-CG1 4.4Å; T106-E160 HydrophobicContact CG2-CG 3.71Å; T106-W161 CarbonylContact C-O 3.55Å; T106-W161 WeakPolarHBondContact CA-O 3.26Å; T106-T162 HydrophobicContact CG2-CG2 4.19Å
107	V	97.8	Very high	97.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119	176.1	-176.3	0	0	0	0	108.6	Y24 A101 V109 L126 W161	Y24-V107 HydrophobicContact CD2-CG1 3.89Å; Y24-V107 HydrophobicContact CE2-CG1 3.91Å; A101-V107 HydrophobicContact CB-CG2 3.59Å; V107-V109 HydrophobicContact CG1-CG2 3.96Å; V107-L126 HydrophobicContact CG2-CD1 4.42Å; V107-W161 HydrophobicContact CB-CB 4.37Å; V107-W161 HydrophobicContact CB-CE3 4.39Å; V107-W161 HydrophobicContact CG1-CE3 4.07Å; V107-W161 PolarHBondContact N-O 3.37Å; V107-W161 PolarHBondContact O-N 2.89Å
108	I	98.3	Very high	97.2	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	116.3	177.4	-55.7	-86.5	0	0	0	107.5	R21 R22 E23 Y24 T106 T158 Y159 E160	R21-I108 HydrophobicContact CG-CG1 3.86Å; R22-I108 PolarHBondContact O-N 2.85Å; E23-I108 CarbonylContact C-O 3.57Å; E23-I108 WeakPolarHBondContact CA-O 3.4Å; E23-I108 HydrophobicContact CG-CB 4.12Å; E23-I108 HydrophobicContact CG-CG2 4.49Å; Y24-I108 PolarHBondContact N-O 2.69Å; T106-I108 HydrophobicContact CG2-CD1 4.19Å; T106-I108 HydrophobicContact CG2-CG1 4.4Å; I108-T158 HydrophobicContact CG2-CG2 3.64Å; I108-Y159 CarbonylContact C-O 3.55Å; I108-Y159 WeakPolarHBondContact CA-O 3.35Å; I108-E160 HydrophobicContact CD1-CB 4.15Å; I108-E160 HydrophobicContact CD1-CG 3.81Å
109	V	98.6	Very high	97.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115.2	178.1	-177.4	0	0	0	0	110.3	Y24 L26 L99 V107 L111 I121 T158 Y159 W161	Y24-V109 WeakPolarHBondContact O-CA 3.21Å; L26-V109 HydrophobicContact CB-CG1 4.27Å; L26-V109 HydrophobicContact CD1-CG1 3.65Å; L26-V109 HydrophobicContact CG-CG1 3.83Å; L99-V109 HydrophobicContact CD1-CG2 4.36Å; V107-V109 HydrophobicContact CG1-CG2 3.96Å; V109-L111 PolarHBondContact O-N 2.89Å; V109-I121 HydrophobicContact CG1-CD1 4.19Å; V109-T158 CarbonylContact O-C 3.52Å; V109-T158 VanDerWaalsContact O-CA 3.3Å; V109-T158 WeakPolarHBondContact O-CA 3.29Å; V109-Y159 PolarHBondContact N-O 2.96Å; V109-Y159 PolarHBondContact O-N 3.27Å; V109-W161 HydrophobicContact CB-CH2 4.48Å; V109-W161 HydrophobicContact CB-CZ3 4.48Å; V109-W161 HydrophobicContact CG2-CE3 4Å; V109-W161 HydrophobicContact CG2-CH2 3.94Å; V109-W161 HydrophobicContact CG2-CZ3 3.5Å
110	H	98.5	Very high	97.4	Very high	32 Å²	32	25.1 Å²	25.1	15%	0.148	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	94.4	171.4	-58.5	-72.7	0	0	0	109.6	Y24 F25 L26 Y82 T158	Y24-H110 PolarHBondContact O-N 3.25Å; F25-H110 HydrophobicContact CD1-CB 3.67Å; F25-H110 AromaticContact CD1-CD2 3.64Å; F25-H110 AromaticContact CD1-CG 3.89Å; F25-H110 HydrophobicContact CE1-CB 4.04Å; F25-H110 AromaticContact CE1-CD2 3.2Å; F25-H110 WeakPolarHBondContact CE1-CD2 2.96Å; F25-H110 AromaticContact CE1-CG 3.73Å; F25-H110 AromaticContact CE1-NE2 3.91Å; F25-H110 AromaticContact CZ-CD2 3.66Å; L26-H110 PolarHBondContact N-O 3.38Å; L26-H110 VanDerWaalsContact O-O 3.09Å; Y82-H110 PolarHBondContact OH-O 3.43Å; H110-T158 VanDerWaalsContact CE1-CG2 3.49Å; H110-T158 WeakPolarHBondContact CE1-CG2 3.34Å; H110-T158 WeakPolarHBondContact ND1-CG2 3.3Å; H110-T158 PolarHBondContact ND1-OG1 3.23Å
111	L	98.7	Very high	97.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.3	-178.3	-175.5	67.7	0	0	0	111.1	L26 I28 Y74 V109 I121 V151 T156 V157 Y159	L26-L111 HydrophobicContact CB-CD1 3.92Å; L26-L111 CarbonylContact O-C 3.49Å; L26-L111 WeakPolarHBondContact O-CA 3.2Å; I28-L111 HydrophobicContact CD1-CD1 4.07Å; I28-L111 HydrophobicContact CD1-CD2 4.14Å; I28-L111 HydrophobicContact CD1-CG 4.42Å; I28-L111 HydrophobicContact CG1-CD1 3.9Å; Y74-L111 HydrophobicContact CD1-CD1 4.09Å; Y74-L111 HydrophobicContact CE1-CD1 3.94Å; V109-L111 PolarHBondContact O-N 2.89Å; L111-I121 HydrophobicContact CB-CG2 4.41Å; L111-I121 HydrophobicContact CD2-CB 3.93Å; L111-I121 HydrophobicContact CD2-CG2 3.7Å; L111-V151 HydrophobicContact CD2-CG2 4.08Å; L111-T156 CarbonylContact O-C 3.47Å; L111-T156 WeakPolarHBondContact O-CA 3.26Å; L111-T156 WeakPolarHBondContact O-CG2 3.5Å; L111-V157 PolarHBondContact N-O 2.99Å; L111-V157 PolarHBondContact O-N 3.42Å; L111-Y159 HydrophobicContact CB-CD2 4.22Å; L111-Y159 HydrophobicContact CB-CE2 3.83Å; L111-Y159 HydrophobicContact CD2-CE2 3.97Å
112	R	98.4	Very high	97.7	Very high	89 Å²	89	23.3 Å²	23.3	34%	0.336	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.1	168.9	-179.3	174.2	-176.8	165.8	3.7	110.6	L26 K27 I28 Y82 T155	L26-R112 PolarHBondContact O-N 3.35Å; K27-R112 CarbonylContact C-O 3.52Å; K27-R112 VanDerWaalsContact CA-O 3.24Å; K27-R112 WeakPolarHBondContact CA-O 3.37Å; K27-R112 HydrophobicContact CG-CB 4.34Å; K27-R112 HydrophobicContact CG-CG 4.48Å; I28-R112 PolarHBondContact N-O 3.04Å; Y82-R112 HydrophobicContact CD1-CB 4.3Å; Y82-R112 HydrophobicContact CD2-CB 4.45Å; Y82-R112 HydrophobicContact CE1-CB 3.78Å; Y82-R112 HydrophobicContact CE2-CB 3.95Å; R112-T155 WeakPolarHBondContact CA-O 3.28Å
113	N	98.6	Very high	97.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.2	174.4	-174.1	1.5	0	0	0	110.4	A115 R117 Y119 V151 G154 T155	N113-A115 PolarHBondContact OD1-N 2.89Å; N113-R117 PolarHBondContact ND2-O 3.5Å; N113-Y119 PolarHBondContact ND2-N 2.81Å; N113-V151 HydrophobicContact CB-CB 4.34Å; N113-V151 HydrophobicContact CB-CG1 3.86Å; N113-V151 PolarHBondContact ND2-O 3.07Å; N113-G154 WeakPolarHBondContact O-CA 3.31Å; N113-G154 PolarHBondContact O-N 3.46Å; N113-T155 PolarHBondContact N-O 2.88Å
114	S	98.1	Very high	97.9	Very high	48 Å²	48	21 Å²	21	34%	0.336	12%	0.122	S	C	.	.			trans	-118.4	10.8	173.6	-56.1	0	0	0	0	113.3	K27 I28	K27-S114 VanDerWaalsContact CE-CB 3.42Å; K27-S114 WeakPolarHBondContact CE-OG 3.42Å; I28-S114 CarbonylContact O-C 3.58Å; I28-S114 WeakPolarHBondContact O-CA 3.33Å; I28-S114 WeakPolarHBondContact O-CB 3.38Å; I28-S114 PolarHBondContact O-N 3.07Å
115	A	98.1	Very high	97.8	Very high	7 Å²	7	19.7 Å²	19.7	6%	0.058	11%	0.109	C	C	.	.	S	Bend	trans	-78.9	174.5	168.8	0	0	0	0	0	111.3	I28 E30 N113 R117 Y119 P153	I28-A115 HydrophobicContact CG2-CB 3.96Å; I28-A115 PolarHBondContact O-N 3.19Å; E30-A115 HydrophobicContact CG-CB 3.9Å; N113-A115 PolarHBondContact OD1-N 2.89Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 PolarHBondContact O-N 2.76Å; A115-Y119 HydrophobicContact CB-CD2 3.95Å; A115-Y119 HydrophobicContact CB-CE2 3.69Å; A115-P153 WeakPolarHBondContact O-CB 3.4Å
116	S	97.3	Very high	97.7	Very high	82 Å²	82	19.7 Å²	19.7	57%	0.573	11%	0.109	S	C	*	.	S	Bend	trans	-80.7	-1.4	-175.4	78.3	0	0	0	0	114.2	E30	E30-S116 WeakPolarHBondContact OE1-CB 3.41Å; E30-S116 PolarHBondContact OE1-N 2.63Å; E30-S116 PolarHBondContact OE1-OG 3.02Å; E30-S116 VanDerWaalsContact OE1-OG 3.05Å
117	R	96.3	Very high	97.6	Very high	58 Å²	58	18.2 Å²	18.2	22%	0.219	10%	0.1	C	C	.	.	S	Bend	trans	-146.4	158.8	-172.2	70.8	-172.4	-9.8	-78.2	-3.1	112.3	N113 A115 Y119 W232	N113-R117 PolarHBondContact ND2-O 3.5Å; A115-R117 VanDerWaalsContact C-N 3.26Å; A115-R117 PolarHBondContact O-N 2.76Å; R117-Y119 WeakPolarHBondContact CD-OH 3.49Å; R117-Y119 HydrophobicContact CG-CD2 4.09Å; R117-Y119 HydrophobicContact CG-CE1 4.08Å; R117-Y119 HydrophobicContact CG-CE2 3.45Å; R117-Y119 VanDerWaalsContact CG-CE2 3.45Å; R117-Y119 VanDerWaalsContact CG-CZ 3.46Å; R117-W232 VanDerWaalsContact NH1-CD2 3.28Å; R117-W232 VanDerWaalsContact NH1-CZ2 3.3Å
118	P	97.4	Very high	97.5	Very high	51 Å²	51	18.5 Å²	18.5	33%	0.331	10%	0.101	S	C	.	.			trans	-65.7	141.4	178	27.5	-34.8	0	0	0	111.3	A150 V151	P118-A150 HydrophobicContact CB-CB 4.44Å; P118-V151 WeakPolarHBondContact CA-O 3.37Å
119	Y	98.5	Very high	97.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-145.5	170.3	176.8	-72.9	-56.6	0	0	0	108.9	I28 A72 N113 A115 R117 V151 D190 L195 W232 Y233	I28-Y119 HydrophobicContact CD1-CD2 4.4Å; I28-Y119 HydrophobicContact CD1-CG 4.31Å; I28-Y119 HydrophobicContact CG2-CD2 3.89Å; I28-Y119 HydrophobicContact CG2-CE2 4.32Å; A72-Y119 HydrophobicContact CB-CE2 3.9Å; N113-Y119 PolarHBondContact ND2-N 2.81Å; A115-Y119 HydrophobicContact CB-CD2 3.95Å; A115-Y119 HydrophobicContact CB-CE2 3.69Å; R117-Y119 WeakPolarHBondContact CD-OH 3.49Å; R117-Y119 HydrophobicContact CG-CD2 4.09Å; R117-Y119 HydrophobicContact CG-CE1 4.08Å; R117-Y119 HydrophobicContact CG-CE2 3.45Å; R117-Y119 VanDerWaalsContact CG-CE2 3.45Å; R117-Y119 VanDerWaalsContact CG-CZ 3.46Å; Y119-V151 PolarHBondContact N-O 2.8Å; Y119-V151 WeakPolarHBondContact O-CA 3.11Å; Y119-V151 VanDerWaalsContact O-CB 3.22Å; Y119-V151 WeakPolarHBondContact O-CB 3.45Å; Y119-V151 PolarHBondContact O-N 2.8Å; Y119-D190 HydrophobicContact CE1-CB 4.46Å; Y119-D190 WeakPolarHBondContact CE1-OD1 3.44Å; Y119-L195 HydrophobicContact CD1-CD1 3.2Å; Y119-L195 HydrophobicContact CD2-CD1 3.73Å; Y119-L195 HydrophobicContact CE1-CD1 3.4Å; Y119-L195 HydrophobicContact CE2-CD1 3.9Å; Y119-L195 HydrophobicContact CG-CD1 3.36Å; Y119-W232 AromaticContact CE1-CD1 3.89Å; Y119-Y233 PolarHBondContact OH-OH 3.13Å
120	S	98.5	Very high	97.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.121	C	C	.	.			trans	-137.7	-168.9	177.8	67.7	0	0	0	0	110.8	Y74 G134 D149 S183 H184	Y74-S120 PolarHBondContact OH-O 3.3Å; S120-G134 WeakPolarHBondContact CB-O 3.42Å; S120-G134 PolarHBondContact OG-O 3.06Å; S120-D149 WeakPolarHBondContact CB-O 3.35Å; S120-S183 PolarHBondContact N-OG 3.35Å; S120-S183 WeakPolarHBondContact O-CA 3.44Å; S120-S183 WeakPolarHBondContact O-CB 3.4Å; S120-H184 PolarHBondContact OG-N 2.81Å
121	I	98.6	Very high	97.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.			trans	-143.9	124.5	166.1	-170.1	175.9	0	0	0	109	L26 Y74 V109 L111 G134 Y159 W161 Y181 H182	L26-I121 HydrophobicContact CD1-CD1 3.75Å; Y74-I121 HydrophobicContact CE1-CB 4.33Å; Y74-I121 HydrophobicContact CE1-CD1 4.28Å; Y74-I121 HydrophobicContact CE1-CG1 4.35Å; V109-I121 HydrophobicContact CG1-CD1 4.19Å; L111-I121 HydrophobicContact CB-CG2 4.41Å; L111-I121 HydrophobicContact CD2-CB 3.93Å; L111-I121 HydrophobicContact CD2-CG2 3.7Å; I121-G134 WeakPolarHBondContact O-CA 3.48Å; I121-Y159 HydrophobicContact CG2-CD1 3.98Å; I121-Y159 HydrophobicContact CG2-CD2 3.58Å; I121-Y159 HydrophobicContact CG2-CE1 3.83Å; I121-Y159 HydrophobicContact CG2-CE2 3.45Å; I121-Y159 VanDerWaalsContact CG2-CE2 3.45Å; I121-Y159 HydrophobicContact CG2-CG 3.87Å; I121-Y159 WeakPolarHBondContact O-CE1 3.39Å; I121-W161 HydrophobicContact CD1-CH2 3.81Å; I121-W161 HydrophobicContact CG1-CH2 3.86Å; I121-W161 HydrophobicContact CG1-CZ2 4.39Å; I121-W161 HydrophobicContact CG2-CH2 4.16Å; I121-W161 HydrophobicContact CG2-CZ2 4.08Å; I121-Y181 HydrophobicContact CD1-CD2 3.4Å; I121-Y181 VanDerWaalsContact CD1-CD2 3.4Å; I121-Y181 HydrophobicContact CD1-CE2 3.78Å; I121-Y181 HydrophobicContact CD1-CG 4.09Å; I121-Y181 HydrophobicContact CG1-CD2 3.62Å; I121-Y181 HydrophobicContact CG1-CE2 4.4Å; I121-Y181 HydrophobicContact CG1-CG 4.25Å; I121-H182 CarbonylContact C-O 3.53Å; I121-H182 WeakPolarHBondContact CA-O 3.22Å
122	H	98.6	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.4	-178.4	170.5	77.6	0	0	0	108.9	H124 Y128 E133 Y181 H182 H184 H1000 H1002	H122-H124 AromaticContact CD2-CD2 3.71Å; H122-H124 AromaticContact CD2-NE2 3.65Å; H122-H124 AromaticContact NE2-CD2 3.83Å; H122-H124 AromaticContact NE2-NE2 3.67Å; H122-Y128 AromaticContact CE1-CZ 3.98Å; H122-Y128 PolarHBondContact CE1-OH 3.36Å; H122-E133 WeakPolarHBondContact CA-O 3.4Å; H122-E133 PolarHBondContact ND1-O 3.5Å; H122-E133 VanDerWaalsContact ND1-O 3.08Å; H122-Y181 CarbonylContact O-C 3.58Å; H122-Y181 WeakPolarHBondContact O-CA 3.16Å; H122-Y181 VanDerWaalsContact O-CB 3.27Å; H122-Y181 WeakPolarHBondContact O-CB 3.43Å; H122-H182 AromaticContact CD2-NE2 3.84Å; H122-H182 PolarHBondContact N-O 3.42Å; H122-H182 PolarHBondContact O-N 2.01Å; H122-H184 HydrophobicContact CB-CB 3.75Å; H122-H184 AromaticContact CD2-CD2 3.89Å; H122-H1000 AromaticContact NE2-NE2 3.45Å; H122-H1000 PolarHBondContact NE2-NE2 3.22Å; H122-H1002 AromaticContact CE1-CE1 3.64Å; H122-H1002 AromaticContact CE1-CG 3.96Å; H122-H1002 AromaticContact CE1-ND1 3.56Å; H122-H1002 AromaticContact NE2-CE1 3.96Å
123	A	97.9	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.7	-176.1	0	0	0	0	0	112.4	L126 Y128 W161 L199	A123-L126 HydrophobicContact CB-CB 4.37Å; A123-L126 HydrophobicContact CB-CD1 4.04Å; A123-L126 HydrophobicContact CB-CG 4.5Å; A123-Y128 WeakPolarHBondContact O-CE1 3.13Å; A123-W161 HydrophobicContact CB-CD2 3.76Å; A123-W161 HydrophobicContact CB-CE3 3.72Å; A123-W161 HydrophobicContact CB-CH2 3.74Å; A123-W161 HydrophobicContact CB-CZ2 3.78Å; A123-W161 HydrophobicContact CB-CZ3 3.71Å; A123-L199 HydrophobicContact CB-CD2 4.25Å
124	H	97.5	Very high	97	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	12%	0.117	C	C	.	.	S	Bend	trans	-88.1	144.4	169.6	-75.6	-120.8	0	0	0	110.2	H122 L126 R179 F180 H182 L199 H1000 D1018 H1045	H122-H124 AromaticContact CD2-CD2 3.71Å; H122-H124 AromaticContact CD2-NE2 3.65Å; H122-H124 AromaticContact NE2-CD2 3.83Å; H122-H124 AromaticContact NE2-NE2 3.67Å; H124-L126 PolarHBondContact O-N 2.82Å; H124-R179 HydrophobicContact CB-CB 4.32Å; H124-F180 VanDerWaalsContact CB-O 3.28Å; H124-F180 WeakPolarHBondContact CB-O 3.47Å; H124-F180 AromaticContact CD2-CE2 3.66Å; H124-F180 AromaticContact CE1-CE2 3.67Å; H124-F180 AromaticContact CE1-CZ 3.46Å; H124-F180 VanDerWaalsContact CE1-CZ 3.46Å; H124-F180 WeakPolarHBondContact CE1-CZ 3.41Å; H124-F180 AromaticContact CG-CE2 3.84Å; H124-F180 AromaticContact CG-CZ 3.83Å; H124-F180 PolarHBondContact N-O 3.42Å; H124-F180 AromaticContact ND1-CE1 3.89Å; H124-F180 AromaticContact ND1-CE2 3.84Å; H124-F180 AromaticContact ND1-CZ 3.42Å; H124-F180 WeakPolarHBondContact ND1-CZ 3.17Å; H124-F180 AromaticContact NE2-CE2 3.55Å; H124-F180 AromaticContact NE2-CZ 3.86Å; H124-H182 AromaticContact NE2-CD2 3.73Å; H124-H182 AromaticContact NE2-NE2 3.3Å; H124-H182 PolarHBondContact NE2-NE2 3.45Å; H124-L199 VanDerWaalsContact O-CD2 3.23Å; H124-L199 WeakPolarHBondContact O-CD2 3.31Å; H124-H1000 AromaticContact CE1-CD2 3.72Å; H124-H1000 AromaticContact CE1-CE1 3.26Å; H124-H1000 PolarHBondContact CE1-CE1 3.47Å; H124-H1000 AromaticContact CE1-CG 3.81Å; H124-H1000 AromaticContact CE1-ND1 3.54Å; H124-H1000 AromaticContact CE1-NE2 3.38Å; H124-H1000 PolarHBondContact CE1-NE2 3.14Å; H124-H1000 AromaticContact ND1-CE1 3.4Å; H124-H1000 PolarHBondContact ND1-CE1 3.01Å; H124-H1000 AromaticContact ND1-ND1 3.71Å; H124-H1000 AromaticContact ND1-NE2 3.96Å; H124-H1000 AromaticContact NE2-CE1 3.84Å; H124-H1000 AromaticContact NE2-NE2 3.61Å; H124-D1018 VanDerWaalsContact C-OD2 3.32Å; H124-D1018 VanDerWaalsContact CA-OD2 3.27Å; H124-D1018 WeakPolarHBondContact CA-OD2 3.33Å; H124-D1018 WeakPolarHBondContact CB-OD2 3.46Å; H124-D1018 IonicContact CG-OD2 2.66Å; H124-D1018 IonicContact ND1-OD2 2.69Å; H124-H1045 AromaticContact CE1-CD2 3.92Å; H124-H1045 AromaticContact CE1-NE2 3.8Å; H124-H1045 AromaticContact NE2-NE2 3.83Å
125	G	93.4	Very high	96.9	Very high	3 Å²	3	16.4 Å²	16.4	3%	0.031	10%	0.101	C	C	.	.	S	Bend	trans	69	12.1	174.7	0	0	0	0	0	116.1	D1018	G125-D1018 PolarHBondContact N-OD2 2.9Å
126	L	95.6	Very high	96.8	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.016	11%	0.112	C	C	.	.			trans	-116.3	157	173.3	-64.9	177.9	0	0	0	111.2	A101 V107 A123 H124 Y128 W161 L163 L199 T201	A101-L126 HydrophobicContact CB-CD2 4.4Å; V107-L126 HydrophobicContact CG2-CD1 4.42Å; A123-L126 HydrophobicContact CB-CB 4.37Å; A123-L126 HydrophobicContact CB-CD1 4.04Å; A123-L126 HydrophobicContact CB-CG 4.5Å; H124-L126 PolarHBondContact O-N 2.82Å; L126-Y128 WeakPolarHBondContact O-CD1 3.29Å; L126-Y128 VanDerWaalsContact O-CE1 3.24Å; L126-Y128 WeakPolarHBondContact O-CE1 3.31Å; L126-W161 HydrophobicContact CB-CB 4.04Å; L126-W161 HydrophobicContact CD1-CB 3.73Å; L126-W161 HydrophobicContact CD1-CD2 4.06Å; L126-W161 HydrophobicContact CD1-CE3 3.6Å; L126-W161 HydrophobicContact CD1-CG 4.17Å; L126-W161 HydrophobicContact CD1-CZ3 4.5Å; L126-W161 HydrophobicContact CG-CB 4.47Å; L126-L163 HydrophobicContact CD2-CB 3.77Å; L126-L163 HydrophobicContact CD2-CD1 4.1Å; L126-L163 HydrophobicContact CD2-CG 4.34Å; L126-L199 HydrophobicContact CD1-CD1 4.28Å; L126-L199 HydrophobicContact CD1-CD2 3.67Å; L126-L199 HydrophobicContact CG-CD2 3.89Å; L126-T201 HydrophobicContact CD2-CG2 4.08Å
127	N	94.9	Very high	96.8	Very high	4 Å²	4	15 Å²	15	2%	0.021	9%	0.085	C	C	.	.	B	Isolated β-bridge	trans	-98.9	131.3	-179.9	-167.1	21.7	0	0	0	110.4	T162 P164 E1035 H1036	N127-T162 WeakPolarHBondContact CB-O 3.06Å; N127-T162 PolarHBondContact N-O 2.88Å; N127-T162 PolarHBondContact O-N 2.62Å; N127-T162 PolarHBondContact O-OG1 2.83Å; N127-P164 VanDerWaalsContact CB-CD 3.48Å; N127-P164 HydrophobicContact CB-CG 3.76Å; N127-E1035 PolarHBondContact ND2-OE2 3.44Å; N127-H1036 VanDerWaalsContact CG-NE2 3.33Å; N127-H1036 PolarHBondContact ND2-NE2 2.98Å; N127-H1036 PolarHBondContact OD1-CD2 2.86Å; N127-H1036 PolarHBondContact OD1-NE2 2.89Å; N127-H1036 VanDerWaalsContact OD1-NE2 3.12Å
128	Y	96	Very high	96.8	Very high	7 Å²	7	13 Å²	13	3%	0.027	8%	0.08	C	C	.	.			trans	-149.5	160.7	-175	44.8	-102.2	0	0	0	112.7	H122 A123 L126 E133 G1003 W1040	H122-Y128 AromaticContact CE1-CZ 3.98Å; H122-Y128 PolarHBondContact CE1-OH 3.36Å; A123-Y128 WeakPolarHBondContact O-CE1 3.13Å; L126-Y128 WeakPolarHBondContact O-CD1 3.29Å; L126-Y128 VanDerWaalsContact O-CE1 3.24Å; L126-Y128 WeakPolarHBondContact O-CE1 3.31Å; Y128-E133 HydrophobicContact CD2-CB 3.74Å; Y128-E133 HydrophobicContact CD2-CG 4.12Å; Y128-E133 HydrophobicContact CE2-CB 3.71Å; Y128-E133 HydrophobicContact CE2-CG 3.53Å; Y128-G1003 PolarHBondContact OH-N 2.95Å; Y128-W1040 HydrophobicContact CD2-CH2 4.22Å; Y128-W1040 AromaticContact CD2-CZ3 3.88Å; Y128-W1040 HydrophobicContact CD2-CZ3 3.88Å; Y128-W1040 HydrophobicContact CE2-CE3 4.42Å; Y128-W1040 HydrophobicContact CE2-CH2 4.42Å; Y128-W1040 AromaticContact CE2-CZ3 3.68Å; Y128-W1040 HydrophobicContact CE2-CZ3 3.68Å; Y128-W1040 WeakPolarHBondContact O-CH2 3.4Å
129	T	95.3	Very high	96.7	Very high	67 Å²	67	11 Å²	11	41%	0.411	7%	0.066	S	C	.	.			trans	-88	162.7	170.2	61.2	0	0	0	0	110.3	G131 N132 E133	T129-G131 PolarHBondContact O-N 3.45Å; T129-N132 CarbonylContact O-C 3.56Å; T129-N132 PolarHBondContact O-N 3.18Å; T129-N132 PolarHBondContact OG1-ND2 3.23Å; T129-E133 PolarHBondContact O-N 3.46Å
130	K	95.3	Very high	96.4	Very high	9 Å²	9	15 Å²	15	4%	0.039	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-23.2	178.7	-81.4	-59.6	-53.5	169.4	0	116.1	N132 E133 Y137 D139 T141 W1040	K130-N132 VanDerWaalsContact C-N 3.35Å; K130-E133 VanDerWaalsContact CD-OE2 3.31Å; K130-E133 WeakPolarHBondContact CD-OE2 3.49Å; K130-E133 WeakPolarHBondContact CE-OE2 3.33Å; K130-E133 IonicContact NZ-OE2 3.03Å; K130-E133 PolarHBondContact NZ-OE2 2.95Å; K130-Y137 VanDerWaalsContact NZ-CZ 3.27Å; K130-Y137 PolarHBondContact NZ-OH 3.43Å; K130-D139 WeakPolarHBondContact CE-OD2 3.24Å; K130-D139 IonicContact NZ-OD2 2.88Å; K130-D139 PolarHBondContact NZ-OD2 3.42Å; K130-T141 HydrophobicContact CB-CG2 4.05Å; K130-T141 HydrophobicContact CD-CG2 4.5Å; K130-T141 HydrophobicContact CG-CG2 4.18Å; K130-W1040 HydrophobicContact CD-CD2 4.3Å; K130-W1040 HydrophobicContact CD-CE3 3.82Å; K130-W1040 HydrophobicContact CD-CH2 3.88Å; K130-W1040 HydrophobicContact CD-CZ2 4.32Å; K130-W1040 HydrophobicContact CD-CZ3 3.59Å; K130-W1040 HydrophobicContact CG-CH2 4Å; K130-W1040 HydrophobicContact CG-CZ2 4.27Å; K130-W1040 HydrophobicContact CG-CZ3 4.24Å
131	G	95.9	Very high	96.3	Very high	22 Å²	22	16.3 Å²	16.3	23%	0.227	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	11.7	175.2	0	0	0	0	0	114.5	T129 D148	T129-G131 PolarHBondContact O-N 3.45Å; G131-D148 WeakPolarHBondContact CA-OD1 3.08Å; G131-D148 WeakPolarHBondContact O-CB 3.35Å; G131-D148 VanDerWaalsContact O-CG 3.26Å
132	N	97.3	Very high	96	Very high	31 Å²	31	18 Å²	18	17%	0.166	13%	0.133	C	C	.	.	S	Bend	trans	-137	16.9	179.3	-66.6	-86.7	0	0	0	111.7	T129 K130 D148 E160 W161	T129-N132 CarbonylContact O-C 3.56Å; T129-N132 PolarHBondContact O-N 3.18Å; T129-N132 PolarHBondContact OG1-ND2 3.23Å; K130-N132 VanDerWaalsContact C-N 3.35Å; N132-D148 PolarHBondContact N-OD2 3.33Å; N132-D148 VanDerWaalsContact N-OD2 3.14Å; N132-E160 PolarHBondContact OD1-N 3.12Å; N132-W161 PolarHBondContact O-NE1 3.09Å
133	E	98.1	Very high	95.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-85.3	-37.9	-175.8	173.4	172.4	-175.2	0	0	112	H122 Y128 T129 K130 A135 Y137 D148 H1002 W1040	H122-E133 WeakPolarHBondContact CA-O 3.4Å; H122-E133 PolarHBondContact ND1-O 3.5Å; H122-E133 VanDerWaalsContact ND1-O 3.08Å; Y128-E133 HydrophobicContact CD2-CB 3.74Å; Y128-E133 HydrophobicContact CD2-CG 4.12Å; Y128-E133 HydrophobicContact CE2-CB 3.71Å; Y128-E133 HydrophobicContact CE2-CG 3.53Å; T129-E133 PolarHBondContact O-N 3.46Å; K130-E133 VanDerWaalsContact CD-OE2 3.31Å; K130-E133 WeakPolarHBondContact CD-OE2 3.49Å; K130-E133 WeakPolarHBondContact CE-OE2 3.33Å; K130-E133 IonicContact NZ-OE2 3.03Å; K130-E133 PolarHBondContact NZ-OE2 2.95Å; E133-A135 HydrophobicContact CG-CB 3.95Å; E133-Y137 VanDerWaalsContact OE1-CE1 3.31Å; E133-Y137 WeakPolarHBondContact OE1-CE1 3.46Å; E133-Y137 PolarHBondContact OE1-OH 3.1Å; E133-Y137 PolarHBondContact OE2-OH 2.94Å; E133-D148 PolarHBondContact N-OD2 3.15Å; E133-H1002 WeakPolarHBondContact OE1-CB 3.4Å; E133-H1002 IonicContact OE1-CE1 2.97Å; E133-H1002 IonicContact OE1-CG 2.65Å; E133-H1002 IonicContact OE1-ND1 2.9Å; E133-H1002 PolarHBondContact OE1-ND1 2.71Å; E133-W1040 WeakPolarHBondContact OE2-CZ3 3.23Å
134	G	97.8	Very high	95.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	21%	0.206	C	C	.	.			trans	72.5	28.9	179.5	0	0	0	0	0	115.4	S120 I121 D148 H184	S120-G134 WeakPolarHBondContact CB-O 3.42Å; S120-G134 PolarHBondContact OG-O 3.06Å; I121-G134 WeakPolarHBondContact O-CA 3.48Å; G134-D148 WeakPolarHBondContact CA-O 3.45Å; G134-D148 PolarHBondContact N-OD2 2.96Å; G134-H184 WeakPolarHBondContact O-CB 3.49Å
135	A	97.6	Very high	95	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-127.4	123.7	179	0	0	0	0	0	111.4	E133 Y137 H184	E133-A135 HydrophobicContact CG-CB 3.95Å; A135-Y137 HydrophobicContact CB-CD1 3.97Å; A135-Y137 HydrophobicContact CB-CE1 3.81Å; A135-Y137 WeakPolarHBondContact O-CD1 3.47Å; A135-H184 HydrophobicContact CB-CB 3.91Å; A135-H184 WeakPolarHBondContact CB-ND1 3.41Å
136	L	95.9	Very high	95.1	Very high	53 Å²	53	38 Å²	38	28%	0.277	24%	0.235	S	C	.	.			trans	-88.8	110	-178.8	-178.1	64.8	0	0	0	111.2	D149 H184 V185 M758	L136-D149 HydrophobicContact CB-CB 3.94Å; L136-D149 HydrophobicContact CD1-CB 3.8Å; L136-D149 HydrophobicContact CG-CB 4.48Å; L136-H184 PolarHBondContact N-O 3.27Å; L136-H184 VanDerWaalsContact N-O 3.17Å; L136-V185 HydrophobicContact CD2-CG1 4.28Å; L136-M758 WeakPolarHBondContact O-CE 3.48Å
137	Y	96.2	Very high	95.1	Very high	6 Å²	6	46 Å²	46	2%	0.024	27%	0.265	C	S	.	.	S	Bend	trans	-155.6	166.7	171	59.1	-84.7	0	0	0	112	K130 E133 A135 D139 K146 T1039 L1041 M1057	K130-Y137 VanDerWaalsContact NZ-CZ 3.27Å; K130-Y137 PolarHBondContact NZ-OH 3.43Å; E133-Y137 VanDerWaalsContact OE1-CE1 3.31Å; E133-Y137 WeakPolarHBondContact OE1-CE1 3.46Å; E133-Y137 PolarHBondContact OE1-OH 3.1Å; E133-Y137 PolarHBondContact OE2-OH 2.94Å; A135-Y137 HydrophobicContact CB-CD1 3.97Å; A135-Y137 HydrophobicContact CB-CE1 3.81Å; A135-Y137 WeakPolarHBondContact O-CD1 3.47Å; Y137-D139 HydrophobicContact CD2-CB 3.83Å; Y137-D139 HydrophobicContact CE2-CB 3.48Å; Y137-D139 VanDerWaalsContact CE2-CB 3.48Å; Y137-D139 PolarHBondContact O-N 2.86Å; Y137-K146 PolarHBondContact O-NZ 2.9Å; Y137-T1039 PolarHBondContact OH-O 2.8Å; Y137-L1041 HydrophobicContact CD1-CB 4.41Å; Y137-L1041 HydrophobicContact CD1-CD2 4.31Å; Y137-L1041 HydrophobicContact CD2-CB 4.33Å; Y137-L1041 HydrophobicContact CD2-CD1 4.28Å; Y137-L1041 HydrophobicContact CE1-CB 4.05Å; Y137-L1041 HydrophobicContact CE2-CB 3.94Å; Y137-L1041 HydrophobicContact CG-CD1 4.45Å; Y137-L1041 HydrophobicContact CG-CD2 4.5Å; Y137-L1041 PolarHBondContact OH-N 2.95Å; Y137-M1057 HydrophobicContact CD2-CE 3.54Å; Y137-M1057 HydrophobicContact CD2-SD 3.79Å; Y137-M1057 HydrophobicContact CE2-CE 3.27Å; Y137-M1057 HydrophobicContact CE2-SD 3.85Å
138	P	95.9	Very high	95.1	Very high	16 Å²	16	45.9 Å²	45.9	10%	0.104	26%	0.264	C	S	.	.			trans	-71.1	85.6	176.3	-15	29.2	0	0	0	112.3	W754 E757 M758	P138-W754 HydrophobicContact CB-CG 4.21Å; P138-W754 HydrophobicContact CG-CD2 4Å; P138-W754 HydrophobicContact CG-CG 4Å; P138-W754 HydrophobicContact CG-CZ2 4.47Å; P138-W754 WeakPolarHBondContact CG-O 3.46Å; P138-W754 PolarHBondContact O-NE1 2.72Å; P138-E757 HydrophobicContact CB-CB 4.37Å; P138-E757 HydrophobicContact CB-CG 4.2Å; P138-E757 HydrophobicContact CG-CB 3.92Å; P138-E757 HydrophobicContact CG-CG 3.97Å; P138-M758 HydrophobicContact CG-CB 4.08Å
139	D	95.3	Very high	95.2	Very high	9 Å²	9	45.6 Å²	45.6	5%	0.048	26%	0.263	C	S	.	.			trans	-106.9	2.8	-176.4	60.1	7.4	0	0	0	114	K130 Y137 T141 K146 M1057	K130-D139 WeakPolarHBondContact CE-OD2 3.24Å; K130-D139 IonicContact NZ-OD2 2.88Å; K130-D139 PolarHBondContact NZ-OD2 3.42Å; Y137-D139 HydrophobicContact CD2-CB 3.83Å; Y137-D139 HydrophobicContact CE2-CB 3.48Å; Y137-D139 VanDerWaalsContact CE2-CB 3.48Å; Y137-D139 PolarHBondContact O-N 2.86Å; D139-T141 HydrophobicContact CB-CG2 4.34Å; D139-T141 VanDerWaalsContact CG-OG1 3.28Å; D139-T141 PolarHBondContact O-N 3.41Å; D139-T141 WeakPolarHBondContact OD1-CB 3.5Å; D139-T141 WeakPolarHBondContact OD1-CG2 3.41Å; D139-T141 PolarHBondContact OD1-N 3.36Å; D139-T141 PolarHBondContact OD1-OG1 3.13Å; D139-T141 WeakPolarHBondContact OD2-CG2 3.45Å; D139-T141 PolarHBondContact OD2-OG1 3.13Å; D139-K146 VanDerWaalsContact CG-NZ 3.3Å; D139-K146 VanDerWaalsContact OD1-CE 3.25Å; D139-K146 WeakPolarHBondContact OD1-CE 3.44Å; D139-K146 IonicContact OD1-NZ 2.87Å; D139-K146 PolarHBondContact OD1-NZ 2.98Å; D139-K146 IonicContact OD2-NZ 3.17Å; D139-K146 PolarHBondContact OD2-NZ 2.72Å; D139-M1057 HydrophobicContact CB-CE 4.37Å
140	G	93.8	Very high	95.3	Very high	83 Å²	83	44.1 Å²	44.1	86%	0.856	26%	0.258	S	S	*	.			trans	72.3	9.5	-177.9	0	0	0	0	0	115.2
141	T	94.8	Very high	95.4	Very high	28 Å²	28	43.7 Å²	43.7	17%	0.172	26%	0.256	C	S	.	.			trans	-79.9	153	-179.8	64.7	0	0	0	0	112.9	K130 D139 Q145 K146	K130-T141 HydrophobicContact CB-CG2 4.05Å; K130-T141 HydrophobicContact CD-CG2 4.5Å; K130-T141 HydrophobicContact CG-CG2 4.18Å; D139-T141 HydrophobicContact CB-CG2 4.34Å; D139-T141 VanDerWaalsContact CG-OG1 3.28Å; D139-T141 PolarHBondContact O-N 3.41Å; D139-T141 WeakPolarHBondContact OD1-CB 3.5Å; D139-T141 WeakPolarHBondContact OD1-CG2 3.41Å; D139-T141 PolarHBondContact OD1-N 3.36Å; D139-T141 PolarHBondContact OD1-OG1 3.13Å; D139-T141 WeakPolarHBondContact OD2-CG2 3.45Å; D139-T141 PolarHBondContact OD2-OG1 3.13Å; T141-Q145 HydrophobicContact CG2-CB 4.49Å; T141-K146 VanDerWaalsContact OG1-CE 3.3Å; T141-K146 WeakPolarHBondContact OG1-CE 3.26Å; T141-K146 VanDerWaalsContact OG1-CG 3.32Å; T141-K146 WeakPolarHBondContact OG1-CG 3.47Å; T141-K146 PolarHBondContact OG1-NZ 2.61Å
142	G	92.8	Very high	95.5	Very high	35 Å²	35	44.8 Å²	44.8	36%	0.361	26%	0.263	S	S	.	.			trans	-80.7	165.8	178.3	0	0	0	0	0	113.3	Q144 Q145 K146	G142-Q144 PolarHBondContact O-N 2.96Å; G142-Q145 PolarHBondContact O-N 2.93Å; G142-K146 PolarHBondContact O-N 2.71Å
143	P	90.9	Very high	95.5	Very high	119 Å²	119	46.3 Å²	46.3	77%	0.773	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-21	-174.3	-26.3	34.1	0	0	0	116.4
144	Q	90.1	Very high	95.5	Very high	163 Å²	163	48.8 Å²	48.8	76%	0.762	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-34.8	176.3	-68.2	-174.7	1.2	0	0	112.3	G142 K146	G142-Q144 PolarHBondContact O-N 2.96Å; Q144-K146 VanDerWaalsContact C-N 3.33Å
145	Q	92.9	Very high	95.5	Very high	91 Å²	91	51.6 Å²	51.6	43%	0.425	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	7.6	179.8	-67.1	177.1	-56	0	0	112.7	T141 G142	T141-Q145 HydrophobicContact CG2-CB 4.49Å; G142-Q145 PolarHBondContact O-N 2.93Å
146	K	94.8	Very high	95.5	Very high	51 Å²	51	55.1 Å²	55.1	22%	0.222	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	10	174.6	-67.4	-154.7	160.9	-69	0	113.3	Y137 D139 T141 G142 Q144 D148 D149	Y137-K146 PolarHBondContact O-NZ 2.9Å; D139-K146 VanDerWaalsContact CG-NZ 3.3Å; D139-K146 VanDerWaalsContact OD1-CE 3.25Å; D139-K146 WeakPolarHBondContact OD1-CE 3.44Å; D139-K146 IonicContact OD1-NZ 2.87Å; D139-K146 PolarHBondContact OD1-NZ 2.98Å; D139-K146 IonicContact OD2-NZ 3.17Å; D139-K146 PolarHBondContact OD2-NZ 2.72Å; T141-K146 VanDerWaalsContact OG1-CE 3.3Å; T141-K146 WeakPolarHBondContact OG1-CE 3.26Å; T141-K146 VanDerWaalsContact OG1-CG 3.32Å; T141-K146 WeakPolarHBondContact OG1-CG 3.47Å; T141-K146 PolarHBondContact OG1-NZ 2.61Å; G142-K146 PolarHBondContact O-N 2.71Å; Q144-K146 VanDerWaalsContact C-N 3.33Å; K146-D148 VanDerWaalsContact C-N 3.29Å; K146-D149 WeakPolarHBondContact CG-OD2 3.26Å; K146-D149 IonicContact NZ-OD2 3.54Å; K146-D149 PolarHBondContact NZ-OD2 3.07Å
147	R	95.2	Very high	95.6	Very high	172 Å²	172	53.8 Å²	53.8	65%	0.649	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-28.7	-178.6	-70.4	-177.2	179.4	-177.2	1.2	111.6
148	D	96.4	Very high	95.7	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-34	176.9	59.5	-57.2	0	0	0	112.5	G131 N132 E133 G134 K146 A150 V157 Y159	G131-D148 WeakPolarHBondContact CA-OD1 3.08Å; G131-D148 WeakPolarHBondContact O-CB 3.35Å; G131-D148 VanDerWaalsContact O-CG 3.26Å; N132-D148 PolarHBondContact N-OD2 3.33Å; N132-D148 VanDerWaalsContact N-OD2 3.14Å; E133-D148 PolarHBondContact N-OD2 3.15Å; G134-D148 WeakPolarHBondContact CA-O 3.45Å; G134-D148 PolarHBondContact N-OD2 2.96Å; K146-D148 VanDerWaalsContact C-N 3.29Å; D148-A150 PolarHBondContact O-N 3.44Å; D148-V157 HydrophobicContact CB-CG1 4.43Å; D148-Y159 HydrophobicContact CB-CD1 4.2Å; D148-Y159 HydrophobicContact CB-CE1 3.55Å; D148-Y159 PolarHBondContact O-OH 3.38Å
149	D	97.3	Very high	95.8	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-37.8	-179.5	-64.7	10.8	0	0	0	113.8	S120 L136 K146 V185	S120-D149 WeakPolarHBondContact CB-O 3.35Å; L136-D149 HydrophobicContact CB-CB 3.94Å; L136-D149 HydrophobicContact CD1-CB 3.8Å; L136-D149 HydrophobicContact CG-CB 4.48Å; K146-D149 WeakPolarHBondContact CG-OD2 3.26Å; K146-D149 IonicContact NZ-OD2 3.54Å; K146-D149 PolarHBondContact NZ-OD2 3.07Å; D149-V185 WeakPolarHBondContact O-CG2 3.41Å
150	A	96.8	Very high	96	Very high	36 Å²	36	60.3 Å²	60.3	30%	0.298	37%	0.366	S	S	.	.			trans	-152.9	99.7	-178.1	0	0	0	0	0	112.2	P118 D148 A152 V185	P118-A150 HydrophobicContact CB-CB 4.44Å; D148-A150 PolarHBondContact O-N 3.44Å; A150-A152 PolarHBondContact O-N 3.23Å; A150-V185 HydrophobicContact CB-CG1 4.49Å; A150-V185 HydrophobicContact CB-CG2 4.03Å
151	V	98.2	Very high	96.2	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.006	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-77.9	111	177.8	-172.6	0	0	0	0	109.9	L111 N113 P118 Y119 T155 V157 Y159	L111-V151 HydrophobicContact CD2-CG2 4.08Å; N113-V151 HydrophobicContact CB-CB 4.34Å; N113-V151 HydrophobicContact CB-CG1 3.86Å; N113-V151 PolarHBondContact ND2-O 3.07Å; P118-V151 WeakPolarHBondContact CA-O 3.37Å; Y119-V151 PolarHBondContact N-O 2.8Å; Y119-V151 WeakPolarHBondContact O-CA 3.11Å; Y119-V151 VanDerWaalsContact O-CB 3.22Å; Y119-V151 WeakPolarHBondContact O-CB 3.45Å; Y119-V151 PolarHBondContact O-N 2.8Å; V151-T155 WeakPolarHBondContact CG1-OG1 3.4Å; V151-V157 HydrophobicContact CB-CG2 4.48Å; V151-V157 HydrophobicContact CG1-CG2 4.08Å; V151-V157 HydrophobicContact CG2-CB 3.89Å; V151-V157 HydrophobicContact CG2-CG2 3.82Å; V151-Y159 HydrophobicContact CG2-CE2 4.45Å; V151-Y159 WeakPolarHBondContact CG2-OH 3.49Å
152	A	97.7	Very high	96.2	Very high	45 Å²	45	57.1 Å²	57.1	37%	0.372	33%	0.331	S	S	.	.			trans	-65.2	151.5	179.7	0	0	0	0	0	112.9	A150 G154 T155	A150-A152 PolarHBondContact O-N 3.23Å; A152-G154 PolarHBondContact O-N 3.25Å; A152-T155 HydrophobicContact CB-CG2 4.07Å; A152-T155 PolarHBondContact N-OG1 2.55Å; A152-T155 WeakPolarHBondContact O-CB 3.49Å; A152-T155 PolarHBondContact O-N 3.33Å; A152-T155 VanDerWaalsContact O-N 3.08Å; A152-T155 PolarHBondContact O-OG1 2.78Å
153	P	98.4	Very high	96.4	Very high	62 Å²	62	55.5 Å²	55.5	40%	0.403	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	133.1	173.9	-31.4	38.5	0	0	0	113.3	A115 T155	A115-P153 WeakPolarHBondContact O-CB 3.4Å; P153-T155 VanDerWaalsContact C-N 3.26Å; P153-T155 PolarHBondContact O-N 3.19Å
154	G	97.1	Very high	96.6	Very high	52 Å²	52	51.1 Å²	51.1	54%	0.536	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	-4.3	179.7	0	0	0	0	0	115.3	N113 A152	N113-G154 WeakPolarHBondContact O-CA 3.31Å; N113-G154 PolarHBondContact O-N 3.46Å; A152-G154 PolarHBondContact O-N 3.25Å
155	T	97.8	Very high	96.7	Very high	60 Å²	60	50.9 Å²	50.9	37%	0.368	28%	0.284	S	S	.	.			trans	-99.5	165.5	-178.3	73.1	0	0	0	0	112.6	R112 N113 V151 A152 P153	R112-T155 WeakPolarHBondContact CA-O 3.28Å; N113-T155 PolarHBondContact N-O 2.88Å; V151-T155 WeakPolarHBondContact CG1-OG1 3.4Å; A152-T155 HydrophobicContact CB-CG2 4.07Å; A152-T155 PolarHBondContact N-OG1 2.55Å; A152-T155 WeakPolarHBondContact O-CB 3.49Å; A152-T155 PolarHBondContact O-N 3.33Å; A152-T155 VanDerWaalsContact O-N 3.08Å; A152-T155 PolarHBondContact O-OG1 2.78Å; P153-T155 VanDerWaalsContact C-N 3.26Å; P153-T155 PolarHBondContact O-N 3.19Å
156	T	97.9	Very high	96.6	Very high	73 Å²	73	47.8 Å²	47.8	45%	0.448	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.3	179.5	-60.3	0	0	0	0	109.8	L111	L111-T156 CarbonylContact O-C 3.47Å; L111-T156 WeakPolarHBondContact O-CA 3.26Å; L111-T156 WeakPolarHBondContact O-CG2 3.5Å
157	V	98	Very high	96.5	Very high	26 Å²	26	45.5 Å²	45.5	16%	0.158	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.7	175.1	175.3	0	0	0	0	108.6	L111 D148 V151 Y159	L111-V157 PolarHBondContact N-O 2.99Å; L111-V157 PolarHBondContact O-N 3.42Å; D148-V157 HydrophobicContact CB-CG1 4.43Å; V151-V157 HydrophobicContact CB-CG2 4.48Å; V151-V157 HydrophobicContact CG1-CG2 4.08Å; V151-V157 HydrophobicContact CG2-CB 3.89Å; V151-V157 HydrophobicContact CG2-CG2 3.82Å; V157-Y159 HydrophobicContact CB-CE2 4.02Å; V157-Y159 HydrophobicContact CG1-CD2 4.27Å; V157-Y159 HydrophobicContact CG1-CE2 3.77Å
158	T	98.3	Very high	96.5	Very high	65 Å²	65	37.5 Å²	37.5	40%	0.399	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128	176.5	-57.3	0	0	0	0	108.8	I108 V109 H110	I108-T158 HydrophobicContact CG2-CG2 3.64Å; V109-T158 CarbonylContact O-C 3.52Å; V109-T158 VanDerWaalsContact O-CA 3.3Å; V109-T158 WeakPolarHBondContact O-CA 3.29Å; H110-T158 VanDerWaalsContact CE1-CG2 3.49Å; H110-T158 WeakPolarHBondContact CE1-CG2 3.34Å; H110-T158 WeakPolarHBondContact ND1-CG2 3.3Å; H110-T158 PolarHBondContact ND1-OG1 3.23Å
159	Y	98.4	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.7	177	-61.3	-104.9	0	0	0	108.8	I108 V109 L111 I121 D148 V151 V157 W161	I108-Y159 CarbonylContact C-O 3.55Å; I108-Y159 WeakPolarHBondContact CA-O 3.35Å; V109-Y159 PolarHBondContact N-O 2.96Å; V109-Y159 PolarHBondContact O-N 3.27Å; L111-Y159 HydrophobicContact CB-CD2 4.22Å; L111-Y159 HydrophobicContact CB-CE2 3.83Å; L111-Y159 HydrophobicContact CD2-CE2 3.97Å; I121-Y159 HydrophobicContact CG2-CD1 3.98Å; I121-Y159 HydrophobicContact CG2-CD2 3.58Å; I121-Y159 HydrophobicContact CG2-CE1 3.83Å; I121-Y159 HydrophobicContact CG2-CE2 3.45Å; I121-Y159 VanDerWaalsContact CG2-CE2 3.45Å; I121-Y159 HydrophobicContact CG2-CG 3.87Å; I121-Y159 WeakPolarHBondContact O-CE1 3.39Å; D148-Y159 HydrophobicContact CB-CD1 4.2Å; D148-Y159 HydrophobicContact CB-CE1 3.55Å; D148-Y159 PolarHBondContact O-OH 3.38Å; V151-Y159 HydrophobicContact CG2-CE2 4.45Å; V151-Y159 WeakPolarHBondContact CG2-OH 3.49Å; V157-Y159 HydrophobicContact CB-CE2 4.02Å; V157-Y159 HydrophobicContact CG1-CD2 4.27Å; V157-Y159 HydrophobicContact CG1-CE2 3.77Å; Y159-W161 HydrophobicContact CD1-CZ2 4.19Å; Y159-W161 HydrophobicContact CG-CZ2 4.23Å
160	E	97.8	Very high	96.4	Very high	102 Å²	102	38.8 Å²	38.8	48%	0.477	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.5	175	-175.1	172.2	165.3	0	0	109.8	T106 I108 N132	T106-E160 HydrophobicContact CG2-CG 3.71Å; I108-E160 HydrophobicContact CD1-CB 4.15Å; I108-E160 HydrophobicContact CD1-CG 3.81Å; N132-E160 PolarHBondContact OD1-N 3.12Å
161	W	97.9	Very high	96.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	146.7	179	-54.6	-31.7	0	0	0	109.9	L99 T106 V107 V109 I121 A123 L126 N132 Y159	L99-W161 HydrophobicContact CD1-CZ3 4.19Å; T106-W161 CarbonylContact C-O 3.55Å; T106-W161 WeakPolarHBondContact CA-O 3.26Å; V107-W161 HydrophobicContact CB-CB 4.37Å; V107-W161 HydrophobicContact CB-CE3 4.39Å; V107-W161 HydrophobicContact CG1-CE3 4.07Å; V107-W161 PolarHBondContact N-O 3.37Å; V107-W161 PolarHBondContact O-N 2.89Å; V109-W161 HydrophobicContact CB-CH2 4.48Å; V109-W161 HydrophobicContact CB-CZ3 4.48Å; V109-W161 HydrophobicContact CG2-CE3 4Å; V109-W161 HydrophobicContact CG2-CH2 3.94Å; V109-W161 HydrophobicContact CG2-CZ3 3.5Å; I121-W161 HydrophobicContact CD1-CH2 3.81Å; I121-W161 HydrophobicContact CG1-CH2 3.86Å; I121-W161 HydrophobicContact CG1-CZ2 4.39Å; I121-W161 HydrophobicContact CG2-CH2 4.16Å; I121-W161 HydrophobicContact CG2-CZ2 4.08Å; A123-W161 HydrophobicContact CB-CD2 3.76Å; A123-W161 HydrophobicContact CB-CE3 3.72Å; A123-W161 HydrophobicContact CB-CH2 3.74Å; A123-W161 HydrophobicContact CB-CZ2 3.78Å; A123-W161 HydrophobicContact CB-CZ3 3.71Å; L126-W161 HydrophobicContact CB-CB 4.04Å; L126-W161 HydrophobicContact CD1-CB 3.73Å; L126-W161 HydrophobicContact CD1-CD2 4.06Å; L126-W161 HydrophobicContact CD1-CE3 3.6Å; L126-W161 HydrophobicContact CD1-CG 4.17Å; L126-W161 HydrophobicContact CD1-CZ3 4.5Å; L126-W161 HydrophobicContact CG-CB 4.47Å; N132-W161 PolarHBondContact O-NE1 3.09Å; Y159-W161 HydrophobicContact CD1-CZ2 4.19Å; Y159-W161 HydrophobicContact CG-CZ2 4.23Å
162	T	96.8	Very high	95.8	Very high	45 Å²	45	45.2 Å²	45.2	28%	0.276	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.3	178	58.4	0	0	0	0	109.9	D105 T106 N127 P164	D105-T162 WeakPolarHBondContact O-CA 3.47Å; T106-T162 HydrophobicContact CG2-CG2 4.19Å; N127-T162 WeakPolarHBondContact CB-O 3.06Å; N127-T162 PolarHBondContact N-O 2.88Å; N127-T162 PolarHBondContact O-N 2.62Å; N127-T162 PolarHBondContact O-OG1 2.83Å; T162-P164 VanDerWaalsContact C-CD 3.47Å; T162-P164 WeakPolarHBondContact O-CD 3.45Å
163	L	96.6	Very high	95.6	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	27%	0.265	C	S	.	.			trans	-108.5	86	172	-179.8	52.5	0	0	0	109.2	A101 E102 G104 D105 L126 H167 T201	A101-L163 HydrophobicContact CB-CB 4.21Å; A101-L163 HydrophobicContact CB-CD2 3.77Å; A101-L163 WeakPolarHBondContact O-CD2 3.22Å; E102-L163 VanDerWaalsContact C-CD2 3.48Å; G104-L163 PolarHBondContact N-O 3.12Å; D105-L163 PolarHBondContact O-N 2.65Å; L126-L163 HydrophobicContact CD2-CB 3.77Å; L126-L163 HydrophobicContact CD2-CD1 4.1Å; L126-L163 HydrophobicContact CD2-CG 4.34Å; L163-H167 HydrophobicContact CD1-CB 3.85Å; L163-T201 HydrophobicContact CD1-CG2 4.11Å; L163-T201 HydrophobicContact CD2-CG2 4.07Å
164	P	93.9	Very high	95.3	Very high	27 Å²	27	41.9 Å²	41.9	18%	0.175	25%	0.254	C	S	.	.			trans	-75.1	167.1	174.7	34	-39.4	0	0	0	111.5	N127 T162 S166 H167 S168	N127-P164 VanDerWaalsContact CB-CD 3.48Å; N127-P164 HydrophobicContact CB-CG 3.76Å; T162-P164 VanDerWaalsContact C-CD 3.47Å; T162-P164 WeakPolarHBondContact O-CD 3.45Å; P164-S166 WeakPolarHBondContact CG-OG 3.24Å; P164-S166 PolarHBondContact O-N 2.93Å; P164-S166 VanDerWaalsContact O-N 3.16Å; P164-H167 HydrophobicContact CG-CB 4.06Å; P164-H167 WeakPolarHBondContact CG-ND1 3.25Å; P164-H167 PolarHBondContact O-N 3.02Å; P164-S168 PolarHBondContact O-N 2.75Å; P164-S168 PolarHBondContact O-OG 3.02Å
165	E	91.9	Very high	95.2	Very high	157 Å²	157	42.5 Å²	42.5	73%	0.734	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-35	174.7	-173.8	-176.9	176.8	0	0	112.4	D103 H167 S168	D103-E165 PolarHBondContact OD1-N 3.08Å; E165-H167 PolarHBondContact O-N 2.67Å; E165-S168 PolarHBondContact O-N 3.17Å
166	S	90.8	Very high	95	Very high	27 Å²	27	39.7 Å²	39.7	19%	0.189	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.2	178.5	58.6	0	0	0	0	114.7	P164 R1016 E1035	P164-S166 WeakPolarHBondContact CG-OG 3.24Å; P164-S166 PolarHBondContact O-N 2.93Å; P164-S166 VanDerWaalsContact O-N 3.16Å; S166-R1016 WeakPolarHBondContact O-CD 3.38Å; S166-R1016 PolarHBondContact O-NE 3.03Å; S166-R1016 PolarHBondContact O-NH1 2.46Å; S166-R1016 VanDerWaalsContact O-NH1 3.07Å; S166-R1016 PolarHBondContact O-NH2 2.04Å; S166-E1035 WeakPolarHBondContact CB-OE1 3.46Å; S166-E1035 VanDerWaalsContact OG-CD 3.25Å; S166-E1035 PolarHBondContact OG-OE1 2.99Å
167	H	93.8	Very high	94.9	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-11.5	177.2	-69.4	64.9	0	0	0	111.9	L163 P164 E165 H1004 S1005	L163-H167 HydrophobicContact CD1-CB 3.85Å; P164-H167 HydrophobicContact CG-CB 4.06Å; P164-H167 WeakPolarHBondContact CG-ND1 3.25Å; P164-H167 PolarHBondContact O-N 3.02Å; E165-H167 PolarHBondContact O-N 2.67Å; H167-H1004 WeakPolarHBondContact NE2-CA 3.25Å; H167-S1005 PolarHBondContact CD2-OG 3.49Å; H167-S1005 PolarHBondContact NE2-N 3.3Å
168	S	94.7	Very high	94.9	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.035	20%	0.202	C	C	.	.	S	Bend	trans	-73.9	157.8	-179.2	-63.7	0	0	0	0	112.1	D103 P164 E165 T170 R1016	D103-S168 WeakPolarHBondContact CA-OG 3.19Å; D103-S168 VanDerWaalsContact CB-OG 3.28Å; D103-S168 WeakPolarHBondContact CB-OG 3.19Å; P164-S168 PolarHBondContact O-N 2.75Å; P164-S168 PolarHBondContact O-OG 3.02Å; E165-S168 PolarHBondContact O-N 3.17Å; S168-T170 PolarHBondContact O-N 2.82Å; S168-R1016 PolarHBondContact O-NE 3.47Å
169	P	95.8	Very high	94.8	Very high	12 Å²	12	32.8 Å²	32.8	8%	0.078	18%	0.184	C	C	.	.			trans	-53.6	139.4	173.7	-19.8	27.3	0	0	0	111.7	D173 S174 M177 T201 K203	P169-D173 HydrophobicContact CB-CB 3.85Å; P169-S174 WeakPolarHBondContact CB-O 3.19Å; P169-M177 HydrophobicContact CB-CE 4Å; P169-M177 HydrophobicContact CB-CG 3.91Å; P169-M177 HydrophobicContact CB-SD 3.94Å; P169-M177 HydrophobicContact CG-CB 4.5Å; P169-M177 HydrophobicContact CG-CE 3.76Å; P169-M177 HydrophobicContact CG-CG 3.87Å; P169-M177 HydrophobicContact CG-SD 4.2Å; P169-T201 VanDerWaalsContact CG-O 3.26Å; P169-T201 WeakPolarHBondContact CG-O 3.01Å; P169-K203 HydrophobicContact CB-CG 3.94Å; P169-K203 HydrophobicContact CG-CG 4.13Å
170	T	95.1	Very high	94.8	Very high	16 Å²	16	32.8 Å²	32.8	10%	0.098	18%	0.184	C	C	.	.			trans	-73.8	179.6	175	76.8	0	0	0	0	111.5	S168 E172 D173 K203 P1014 R1016	S168-T170 PolarHBondContact O-N 2.82Å; T170-E172 PolarHBondContact O-N 3.2Å; T170-E172 PolarHBondContact OG1-N 2.92Å; T170-E172 VanDerWaalsContact OG1-N 3.16Å; T170-D173 WeakPolarHBondContact CG2-OD2 3.44Å; T170-D173 PolarHBondContact N-OD2 2.62Å; T170-D173 PolarHBondContact O-N 2.83Å; T170-D173 PolarHBondContact OG1-N 3.15Å; T170-D173 PolarHBondContact OG1-OD2 3.16Å; T170-D173 VanDerWaalsContact OG1-OD2 3.1Å; T170-K203 WeakPolarHBondContact O-CE 3.43Å; T170-K203 PolarHBondContact O-NZ 3.11Å; T170-P1014 WeakPolarHBondContact CB-O 3.48Å; T170-P1014 HydrophobicContact CG2-CB 4.3Å; T170-P1014 HydrophobicContact CG2-CG 4.4Å; T170-P1014 WeakPolarHBondContact CG2-O 3.2Å; T170-P1014 PolarHBondContact OG1-O 3.3Å; T170-R1016 HydrophobicContact CG2-CB 4.07Å
171	A	92.6	Very high	94.9	Very high	88 Å²	88	27.9 Å²	27.9	73%	0.727	16%	0.162	S	C	*	.	S	Bend	trans	-60.5	-33.3	172.7	0	0	0	0	0	113.2	K203	A171-K203 PolarHBondContact O-NZ 3.06Å
172	E	91.7	Very high	94.9	Very high	85 Å²	85	27.9 Å²	27.9	40%	0.397	16%	0.162	S	C	.	.	S	Bend	trans	-85.5	-22.2	-177.4	-57	-58	143.7	0	0	113.2	T170 N310	T170-E172 PolarHBondContact O-N 3.2Å; T170-E172 PolarHBondContact OG1-N 2.92Å; T170-E172 VanDerWaalsContact OG1-N 3.16Å; E172-N310 PolarHBondContact O-ND2 3.43Å
173	D	93.6	Very high	95	Very high	11 Å²	11	25.8 Å²	25.8	6%	0.059	15%	0.149	C	C	.	.	S	Bend	trans	-70.8	158.9	174.6	-64.3	-36.2	0	0	0	111.3	P169 T170 M177 K203 H1015 R1016	P169-D173 HydrophobicContact CB-CB 3.85Å; T170-D173 WeakPolarHBondContact CG2-OD2 3.44Å; T170-D173 PolarHBondContact N-OD2 2.62Å; T170-D173 PolarHBondContact O-N 2.83Å; T170-D173 PolarHBondContact OG1-N 3.15Å; T170-D173 PolarHBondContact OG1-OD2 3.16Å; T170-D173 VanDerWaalsContact OG1-OD2 3.1Å; D173-M177 HydrophobicContact CB-CG 4.21Å; D173-M177 HydrophobicContact CB-SD 4Å; D173-K203 WeakPolarHBondContact O-CE 3.39Å; D173-K203 PolarHBondContact O-NZ 3.17Å; D173-H1015 WeakPolarHBondContact OD1-CA 3.33Å; D173-H1015 IonicContact OD1-CE1 2.67Å; D173-H1015 IonicContact OD1-CG 3.79Å; D173-H1015 IonicContact OD1-ND1 2.8Å; D173-H1015 PolarHBondContact OD1-ND1 2.73Å; D173-R1016 WeakPolarHBondContact OD2-CB 3.12Å; D173-R1016 PolarHBondContact OD2-N 2.64Å
174	S	91.9	Very high	95	Very high	25 Å²	25	25.9 Å²	25.9	18%	0.175	15%	0.149	C	C	.	.			trans	-57.4	162	169.8	50.3	0	0	0	0	111.4	P169 C176 K203	P169-S174 WeakPolarHBondContact CB-O 3.19Å; S174-C176 PolarHBondContact O-N 3.04Å; S174-C176 PolarHBondContact OG-O 2.86Å; S174-K203 WeakPolarHBondContact O-CE 3.46Å
175	N	93.4	Very high	95.2	Very high	65 Å²	65	25.2 Å²	25.2	35%	0.348	14%	0.144	S	C	.	.	S	Bend	trans	-60.8	-33.6	-179.7	-71.1	-26	0	0	0	112.7	C202 K203 T206	N175-C202 CarbonylContact O-C 3.6Å; N175-C202 WeakPolarHBondContact O-CA 3.47Å; N175-K203 PolarHBondContact O-N 3.16Å; N175-T206 HydrophobicContact CB-CG2 3.62Å
176	C	94.8	Very high	95.3	Very high	1 Å²	1	19 Å²	19	1%	0.007	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.4	170.5	-69.3	0	0	0	0	109.1	S174 T201 C202 T325	S174-C176 PolarHBondContact O-N 3.04Å; S174-C176 PolarHBondContact OG-O 2.86Å; C176-T201 WeakPolarHBondContact CA-O 3.34Å; C176-C202 HydrophobicContact CB-CB 4.12Å; C176-C202 WeakPolarHBondContact CB-SG 3.25Å; C176-C202 WeakPolarHBondContact SG-CB 3.47Å; C176-C202 CovalentContact SG-SG 2.04Å; C176-C202 PolarHBondContact SG-SG 2.8Å; C176-T325 PolarHBondContact O-OG1 3.24Å
177	M	95.5	Very high	95.4	Very high	8 Å²	8	18 Å²	18	4%	0.039	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	145.6	171.5	-65.5	-177.9	-50.8	0	0	110.3	P169 D173 L200 T201 R1016	P169-M177 HydrophobicContact CB-CE 4Å; P169-M177 HydrophobicContact CB-CG 3.91Å; P169-M177 HydrophobicContact CB-SD 3.94Å; P169-M177 HydrophobicContact CG-CB 4.5Å; P169-M177 HydrophobicContact CG-CE 3.76Å; P169-M177 HydrophobicContact CG-CG 3.87Å; P169-M177 HydrophobicContact CG-SD 4.2Å; D173-M177 HydrophobicContact CB-CG 4.21Å; D173-M177 HydrophobicContact CB-SD 4Å; M177-L200 WeakPolarHBondContact O-CA 3.49Å; M177-T201 PolarHBondContact N-O 2.98Å; M177-T201 PolarHBondContact O-N 3.08Å; M177-T201 VanDerWaalsContact O-N 3.12Å; M177-R1016 HydrophobicContact CE-CB 3.82Å; M177-R1016 HydrophobicContact CE-CG 3.74Å; M177-R1016 HydrophobicContact SD-CB 3.87Å; M177-R1016 HydrophobicContact SD-CG 4.44Å
178	T	97.2	Very high	95.5	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	131.3	171.1	-47.3	0	0	0	0	110.2	H286 I288 S323 T324 T325	T178-H286 HydrophobicContact CG2-CB 3.81Å; T178-H286 VanDerWaalsContact OG1-CA 3.26Å; T178-H286 WeakPolarHBondContact OG1-CA 3.42Å; T178-H286 VanDerWaalsContact OG1-CB 3.31Å; T178-H286 WeakPolarHBondContact OG1-CB 3.48Å; T178-H286 PolarHBondContact OG1-ND1 3.36Å; T178-I288 HydrophobicContact CG2-CD1 4.18Å; T178-I288 HydrophobicContact CG2-CG1 3.62Å; T178-S323 PolarHBondContact O-OG 3.31Å; T178-T324 WeakPolarHBondContact CB-O 3.45Å; T178-T324 VanDerWaalsContact OG1-C 3.32Å; T178-T324 PolarHBondContact OG1-O 3.04Å; T178-T325 PolarHBondContact N-OG1 3.09Å; T178-T325 PolarHBondContact OG1-OG1 3.33Å
179	R	97.6	Very high	95.6	Very high	10 Å²	10	22 Å²	22	4%	0.038	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	-176.6	165.9	-62.2	-64.2	-178.3	-99.5	3.2	107.5	H124 L199 T201 R1016 D1018	H124-R179 HydrophobicContact CB-CB 4.32Å; R179-L199 CarbonylContact C-O 3.57Å; R179-L199 VanDerWaalsContact C-O 3.25Å; R179-L199 VanDerWaalsContact CA-O 3.29Å; R179-L199 WeakPolarHBondContact CA-O 3.38Å; R179-L199 HydrophobicContact CB-CB 4.17Å; R179-L199 HydrophobicContact CB-CD2 4.23Å; R179-L199 HydrophobicContact CB-CG 4.16Å; R179-L199 WeakPolarHBondContact CB-O 3.39Å; R179-L199 PolarHBondContact N-O 3.15Å; R179-L199 PolarHBondContact O-N 2.76Å; R179-T201 HydrophobicContact CG-CG2 4.01Å; R179-R1016 PolarHBondContact NH2-O 3.16Å; R179-D1018 IonicContact CZ-OD1 2.59Å; R179-D1018 IonicContact NE-OD1 3.43Å; R179-D1018 PolarHBondContact NE-OD1 3.38Å
180	F	98.3	Very high	95.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	172.4	176.9	57.4	-88.6	0	0	0	111.3	H124 H182 I196 G197 I288 L290 A321	H124-F180 VanDerWaalsContact CB-O 3.28Å; H124-F180 WeakPolarHBondContact CB-O 3.47Å; H124-F180 AromaticContact CD2-CE2 3.66Å; H124-F180 AromaticContact CE1-CE2 3.67Å; H124-F180 AromaticContact CE1-CZ 3.46Å; H124-F180 VanDerWaalsContact CE1-CZ 3.46Å; H124-F180 WeakPolarHBondContact CE1-CZ 3.41Å; H124-F180 AromaticContact CG-CE2 3.84Å; H124-F180 AromaticContact CG-CZ 3.83Å; H124-F180 PolarHBondContact N-O 3.42Å; H124-F180 AromaticContact ND1-CE1 3.89Å; H124-F180 AromaticContact ND1-CE2 3.84Å; H124-F180 AromaticContact ND1-CZ 3.42Å; H124-F180 WeakPolarHBondContact ND1-CZ 3.17Å; H124-F180 AromaticContact NE2-CE2 3.55Å; H124-F180 AromaticContact NE2-CZ 3.86Å; F180-H182 AromaticContact CD2-CD2 3.86Å; F180-H182 AromaticContact CE2-CD2 3.61Å; F180-I196 HydrophobicContact CB-CD1 3.88Å; F180-I196 HydrophobicContact CD2-CD1 3.48Å; F180-I196 VanDerWaalsContact CD2-CD1 3.48Å; F180-I196 HydrophobicContact CE2-CD1 4.34Å; F180-I196 HydrophobicContact CG-CD1 3.96Å; F180-G197 CarbonylContact C-O 3.57Å; F180-G197 VanDerWaalsContact CA-O 3.26Å; F180-G197 WeakPolarHBondContact CA-O 3.43Å; F180-G197 WeakPolarHBondContact CB-O 3.02Å; F180-I288 HydrophobicContact CB-CD1 4.03Å; F180-I288 HydrophobicContact CD1-CG2 3.91Å; F180-I288 HydrophobicContact CE1-CG2 4.4Å; F180-I288 HydrophobicContact CG-CG2 4.32Å; F180-L290 HydrophobicContact CD2-CD1 4Å; F180-L290 HydrophobicContact CE1-CD1 4.4Å; F180-L290 HydrophobicContact CE2-CD1 3.49Å; F180-L290 VanDerWaalsContact CE2-CD1 3.49Å; F180-L290 HydrophobicContact CZ-CD1 3.73Å; F180-A321 HydrophobicContact CE1-CB 4.28Å; F180-A321 HydrophobicContact CZ-CB 3.69Å
181	Y	98.7	Very high	95.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.5	171.9	63.2	-91.1	0	0	0	109.6	L26 Y74 G96 P97 L99 I121 H122 I196 G197 P198 L199	L26-Y181 HydrophobicContact CD1-CE2 4.41Å; Y74-Y181 HydrophobicContact CD2-CD2 4.32Å; Y74-Y181 AromaticContact CD2-CE2 3.66Å; Y74-Y181 HydrophobicContact CD2-CE2 3.66Å; Y74-Y181 HydrophobicContact CE2-CD2 4.06Å; Y74-Y181 AromaticContact CE2-CE2 3.87Å; Y74-Y181 HydrophobicContact CE2-CE2 3.87Å; Y74-Y181 AromaticContact CG-CE2 4Å; Y74-Y181 HydrophobicContact CG-CE2 4Å; G96-Y181 WeakPolarHBondContact CA-OH 3.5Å; P97-Y181 WeakPolarHBondContact CD-OH 3.31Å; P97-Y181 WeakPolarHBondContact CG-OH 3.27Å; P97-Y181 WeakPolarHBondContact O-CE1 3.39Å; P97-Y181 PolarHBondContact O-OH 3.24Å; L99-Y181 HydrophobicContact CB-CE1 4.27Å; L99-Y181 HydrophobicContact CD1-CD1 3.66Å; L99-Y181 HydrophobicContact CD1-CE1 3.52Å; L99-Y181 HydrophobicContact CD1-CG 4.29Å; L99-Y181 HydrophobicContact CG-CD1 4.06Å; L99-Y181 HydrophobicContact CG-CE1 3.51Å; I121-Y181 HydrophobicContact CD1-CD2 3.4Å; I121-Y181 VanDerWaalsContact CD1-CD2 3.4Å; I121-Y181 HydrophobicContact CD1-CE2 3.78Å; I121-Y181 HydrophobicContact CD1-CG 4.09Å; I121-Y181 HydrophobicContact CG1-CD2 3.62Å; I121-Y181 HydrophobicContact CG1-CE2 4.4Å; I121-Y181 HydrophobicContact CG1-CG 4.25Å; H122-Y181 CarbonylContact O-C 3.58Å; H122-Y181 WeakPolarHBondContact O-CA 3.16Å; H122-Y181 VanDerWaalsContact O-CB 3.27Å; H122-Y181 WeakPolarHBondContact O-CB 3.43Å; Y181-I196 CarbonylContact O-C 3.46Å; Y181-I196 WeakPolarHBondContact O-CA 3.27Å; Y181-I196 WeakPolarHBondContact O-CD1 3.38Å; Y181-G197 VanDerWaalsContact CD1-O 3.26Å; Y181-G197 WeakPolarHBondContact CD1-O 3.41Å; Y181-G197 VanDerWaalsContact CE1-C 3.41Å; Y181-G197 WeakPolarHBondContact CE1-O 3.49Å; Y181-G197 PolarHBondContact N-O 3.48Å; Y181-G197 PolarHBondContact O-N 2.85Å; Y181-P198 WeakPolarHBondContact CE1-O 3.46Å; Y181-L199 HydrophobicContact CD1-CB 4.22Å
182	H	98.6	Very high	96	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	165.9	-179.2	64.3	95.7	0	0	0	111.9	I121 H122 H124 F180 H184 V191 L195 I196 H1045	I121-H182 CarbonylContact C-O 3.53Å; I121-H182 WeakPolarHBondContact CA-O 3.22Å; H122-H182 AromaticContact CD2-NE2 3.84Å; H122-H182 PolarHBondContact N-O 3.42Å; H122-H182 PolarHBondContact O-N 2.01Å; H124-H182 AromaticContact NE2-CD2 3.73Å; H124-H182 AromaticContact NE2-NE2 3.3Å; H124-H182 PolarHBondContact NE2-NE2 3.45Å; F180-H182 AromaticContact CD2-CD2 3.86Å; F180-H182 AromaticContact CE2-CD2 3.61Å; H182-H184 AromaticContact CE1-CD2 3.39Å; H182-H184 PolarHBondContact CE1-CD2 3.37Å; H182-V191 HydrophobicContact CB-CG2 4.05Å; H182-L195 VanDerWaalsContact CA-O 3.23Å; H182-L195 WeakPolarHBondContact CA-O 3.41Å; H182-L195 VanDerWaalsContact CB-O 3.23Å; H182-L195 WeakPolarHBondContact CB-O 3.21Å; H182-I196 HydrophobicContact CB-CD1 3.98Å; H182-H1045 AromaticContact CE1-NE2 3.81Å; H182-H1045 AromaticContact NE2-CE1 3.78Å; H182-H1045 AromaticContact NE2-NE2 3.26Å; H182-H1045 PolarHBondContact NE2-NE2 3.26Å
183	S	98.6	Very high	96.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.			trans	-74.1	142.5	169.5	173.4	0	0	0	0	109.5	Y74 S120 D190 L195	Y74-S183 WeakPolarHBondContact OH-CA 3.48Å; Y74-S183 PolarHBondContact OH-N 3.28Å; S120-S183 PolarHBondContact N-OG 3.35Å; S120-S183 WeakPolarHBondContact O-CA 3.44Å; S120-S183 WeakPolarHBondContact O-CB 3.4Å; S183-D190 PolarHBondContact OG-OD2 3.23Å; S183-L195 PolarHBondContact N-O 2.78Å
184	H	97.6	Very high	96.5	Very high	3 Å²	3	12.3 Å²	12.3	1%	0.014	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-135	33.6	-171.5	-157.5	-54.2	0	0	0	111.8	S120 H122 G134 A135 L136 H182 P187 H1002 H1043	S120-H184 PolarHBondContact OG-N 2.81Å; H122-H184 HydrophobicContact CB-CB 3.75Å; H122-H184 AromaticContact CD2-CD2 3.89Å; G134-H184 WeakPolarHBondContact O-CB 3.49Å; A135-H184 HydrophobicContact CB-CB 3.91Å; A135-H184 WeakPolarHBondContact CB-ND1 3.41Å; L136-H184 PolarHBondContact N-O 3.27Å; L136-H184 VanDerWaalsContact N-O 3.17Å; H182-H184 AromaticContact CE1-CD2 3.39Å; H182-H184 PolarHBondContact CE1-CD2 3.37Å; H184-P187 HydrophobicContact CB-CG 4.36Å; H184-P187 WeakPolarHBondContact CE1-CG 3.25Å; H184-P187 VanDerWaalsContact ND1-CG 3.31Å; H184-P187 WeakPolarHBondContact ND1-CG 3.46Å; H184-H1002 AromaticContact CD2-CE1 3.9Å; H184-H1002 AromaticContact CE1-CE1 3.82Å; H184-H1002 AromaticContact NE2-CE1 3.43Å; H184-H1002 PolarHBondContact NE2-CE1 3.29Å; H184-H1002 AromaticContact NE2-NE2 3.6Å; H184-H1043 AromaticContact NE2-NE2 3.96Å
185	V	96.1	Very high	96.8	Very high	13 Å²	13	11.1 Å²	11.1	8%	0.079	6%	0.055	C	C	.	.	S	Bend	trans	-78.1	-46.9	168.4	-178.9	0	0	0	0	109.1	L136 D149 A150 D190	L136-V185 HydrophobicContact CD2-CG1 4.28Å; D149-V185 WeakPolarHBondContact O-CG2 3.41Å; A150-V185 HydrophobicContact CB-CG1 4.49Å; A150-V185 HydrophobicContact CB-CG2 4.03Å; V185-D190 WeakPolarHBondContact CB-OD2 2.97Å; V185-D190 PolarHBondContact N-OD2 3.22Å
186	R	94.6	Very high	97	Very high	26 Å²	26	8 Å²	8	10%	0.098	4%	0.039	C	C	.	.	S	Bend	trans	-141.7	85.4	169	-69	-62.6	-173.4	-161.1	-9.2	107.9	K189 D190 W232 M758	R186-K189 HydrophobicContact CB-CB 4.37Å; R186-K189 PolarHBondContact O-N 3.23Å; R186-D190 PolarHBondContact N-OD2 3.36Å; R186-D190 VanDerWaalsContact O-CB 3.31Å; R186-D190 WeakPolarHBondContact O-CB 3.15Å; R186-D190 PolarHBondContact O-N 2.99Å; R186-W232 HydrophobicContact CB-CZ2 3.8Å; R186-W232 HydrophobicContact CG-CH2 4.24Å; R186-W232 HydrophobicContact CG-CZ2 3.71Å; R186-M758 VanDerWaalsContact CZ-O 3.31Å; R186-M758 PolarHBondContact NH1-O 2.88Å; R186-M758 PolarHBondContact NH2-O 2.81Å
187	P	94.2	Very high	97.2	Very high	8 Å²	8	8 Å²	8	5%	0.052	4%	0.039	C	C	.	.	H	α-helix	trans	-51.1	-48.5	-166.7	-22.1	28.2	0	0	0	114.4	H184 K189 D190 V191	H184-P187 HydrophobicContact CB-CG 4.36Å; H184-P187 WeakPolarHBondContact CE1-CG 3.25Å; H184-P187 VanDerWaalsContact ND1-CG 3.31Å; H184-P187 WeakPolarHBondContact ND1-CG 3.46Å; P187-K189 PolarHBondContact O-N 2.83Å; P187-D190 PolarHBondContact O-N 3.19Å; P187-V191 WeakPolarHBondContact O-CB 2.97Å; P187-V191 VanDerWaalsContact O-CG2 3.29Å; P187-V191 WeakPolarHBondContact O-CG2 3.24Å; P187-V191 PolarHBondContact O-N 2.93Å
188	P	94.4	Very high	97.3	Very high	16 Å²	16	7.6 Å²	7.6	10%	0.104	4%	0.037	C	C	.	.	H	α-helix	trans	-50.4	-52	175.5	-35.3	42	0	0	0	114.4	A192 T1047 I1050	P188-A192 VanDerWaalsContact O-CB 3.24Å; P188-A192 WeakPolarHBondContact O-CB 3.38Å; P188-A192 PolarHBondContact O-N 2.89Å; P188-A192 VanDerWaalsContact O-N 3.11Å; P188-T1047 HydrophobicContact CB-CG2 3.66Å; P188-T1047 HydrophobicContact CG-CG2 4.06Å; P188-I1050 HydrophobicContact CG-CB 4.48Å; P188-I1050 HydrophobicContact CG-CG2 4.45Å
189	K	96.5	Very high	97.4	Very high	74 Å²	74	7.6 Å²	7.6	32%	0.322	4%	0.036	S	C	.	.	H	α-helix	trans	-76.1	-37.1	-175.8	-56	-164.6	71.8	161.4	0	112.1	R186 P187 S193 L230 W232	R186-K189 HydrophobicContact CB-CB 4.37Å; R186-K189 PolarHBondContact O-N 3.23Å; P187-K189 PolarHBondContact O-N 2.83Å; K189-S193 VanDerWaalsContact O-CB 3.28Å; K189-S193 WeakPolarHBondContact O-CB 3.23Å; K189-S193 PolarHBondContact O-N 3.02Å; K189-S193 PolarHBondContact O-OG 2.78Å; K189-L230 WeakPolarHBondContact CB-O 3.44Å; K189-L230 WeakPolarHBondContact CE-O 3.34Å; K189-L230 WeakPolarHBondContact CG-O 3.43Å; K189-W232 HydrophobicContact CB-CD2 4.05Å; K189-W232 HydrophobicContact CB-CG 4.28Å; K189-W232 HydrophobicContact CB-CZ2 4Å; K189-W232 HydrophobicContact CD-CD2 4.22Å; K189-W232 HydrophobicContact CD-CE3 4.16Å; K189-W232 HydrophobicContact CD-CH2 3.84Å; K189-W232 HydrophobicContact CD-CZ2 3.89Å; K189-W232 HydrophobicContact CD-CZ3 3.97Å; K189-W232 HydrophobicContact CG-CZ2 4.46Å
190	D	98	Very high	97.3	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-66.5	-45.2	-178.8	-71.5	-4.1	0	0	0	111.3	Y119 S183 V185 R186 P187 S193 G194 L195 W232	Y119-D190 HydrophobicContact CE1-CB 4.46Å; Y119-D190 WeakPolarHBondContact CE1-OD1 3.44Å; S183-D190 PolarHBondContact OG-OD2 3.23Å; V185-D190 WeakPolarHBondContact CB-OD2 2.97Å; V185-D190 PolarHBondContact N-OD2 3.22Å; R186-D190 PolarHBondContact N-OD2 3.36Å; R186-D190 VanDerWaalsContact O-CB 3.31Å; R186-D190 WeakPolarHBondContact O-CB 3.15Å; R186-D190 PolarHBondContact O-N 2.99Å; P187-D190 PolarHBondContact O-N 3.19Å; D190-S193 WeakPolarHBondContact O-CB 3.28Å; D190-S193 PolarHBondContact O-N 2.74Å; D190-G194 PolarHBondContact O-N 2.91Å; D190-L195 PolarHBondContact O-N 3.38Å; D190-W232 PolarHBondContact OD1-NE1 3.14Å
191	V	97.4	Very high	97.2	Very high	5 Å²	5	7.1 Å²	7.1	3%	0.03	4%	0.035	C	C	.	.	H	α-helix	trans	-67.7	-48.6	176	173	0	0	0	0	110.6	H182 P187 S193 G194 M224 L290	H182-V191 HydrophobicContact CB-CG2 4.05Å; P187-V191 WeakPolarHBondContact O-CB 2.97Å; P187-V191 VanDerWaalsContact O-CG2 3.29Å; P187-V191 WeakPolarHBondContact O-CG2 3.24Å; P187-V191 PolarHBondContact O-N 2.93Å; V191-S193 PolarHBondContact O-N 2.85Å; V191-S193 VanDerWaalsContact O-N 3.15Å; V191-G194 WeakPolarHBondContact O-CA 3.38Å; V191-G194 PolarHBondContact O-N 2.83Å; V191-M224 HydrophobicContact CG1-CE 3.7Å; V191-M224 HydrophobicContact CG1-SD 3.95Å; V191-L290 HydrophobicContact CB-CD2 4.19Å; V191-L290 HydrophobicContact CG1-CD2 3.24Å; V191-L290 HydrophobicContact CG2-CD2 4.1Å
192	A	97.3	Very high	97.1	Very high	3 Å²	3	7.1 Å²	7.1	3%	0.025	4%	0.035	C	C	.	.	H	α-helix	trans	-54.9	-35.1	176.2	0	0	0	0	0	111.8	K71 P188 G194 D227 L230	K71-A192 PolarHBondContact NZ-O 2.85Å; P188-A192 VanDerWaalsContact O-CB 3.24Å; P188-A192 WeakPolarHBondContact O-CB 3.38Å; P188-A192 PolarHBondContact O-N 2.89Å; P188-A192 VanDerWaalsContact O-N 3.11Å; A192-G194 PolarHBondContact O-N 2.99Å; A192-D227 WeakPolarHBondContact CB-O 3.29Å; A192-L230 HydrophobicContact CB-CB 3.85Å
193	S	98.1	Very high	97	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-14.9	174.9	-58.4	0	0	0	0	114.4	K71 A72 K189 D190 V191 W232	K71-S193 CarbonylContact C-O 3.25Å; K71-S193 VanDerWaalsContact CA-O 3.25Å; K71-S193 WeakPolarHBondContact CA-O 3.22Å; K71-S193 WeakPolarHBondContact CB-O 3.35Å; A72-S193 PolarHBondContact N-O 2.73Å; K189-S193 VanDerWaalsContact O-CB 3.28Å; K189-S193 WeakPolarHBondContact O-CB 3.23Å; K189-S193 PolarHBondContact O-N 3.02Å; K189-S193 PolarHBondContact O-OG 2.78Å; D190-S193 WeakPolarHBondContact O-CB 3.28Å; D190-S193 PolarHBondContact O-N 2.74Å; V191-S193 PolarHBondContact O-N 2.85Å; V191-S193 VanDerWaalsContact O-N 3.15Å; S193-W232 VanDerWaalsContact OG-CD1 3.29Å; S193-W232 PolarHBondContact OG-N 3.19Å
194	G	97.6	Very high	96.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	117.3	3.3	173.9	0	0	0	0	0	116.4	A72 D190 V191 A192 I196	A72-G194 CarbonylContact O-C 3.6Å; A72-G194 WeakPolarHBondContact O-CA 3.31Å; D190-G194 PolarHBondContact O-N 2.91Å; V191-G194 WeakPolarHBondContact O-CA 3.38Å; V191-G194 PolarHBondContact O-N 2.83Å; A192-G194 PolarHBondContact O-N 2.99Å; G194-I196 PolarHBondContact O-N 2.88Å
195	L	98.5	Very high	96.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.			trans	-86.9	76.1	-172.8	-67.6	176	0	0	0	113.5	I28 A72 Y74 Y119 H182 S183 D190	I28-L195 HydrophobicContact CD1-CD2 4.48Å; I28-L195 HydrophobicContact CG1-CD2 4.25Å; I28-L195 HydrophobicContact CG2-CD1 4.44Å; I28-L195 HydrophobicContact CG2-CD2 3.77Å; A72-L195 HydrophobicContact CB-CD1 4.22Å; A72-L195 HydrophobicContact CB-CD2 3.97Å; A72-L195 HydrophobicContact CB-CG 3.98Å; A72-L195 WeakPolarHBondContact O-CD2 3.37Å; A72-L195 PolarHBondContact O-N 2.94Å; Y74-L195 HydrophobicContact CD2-CD2 4.16Å; Y74-L195 HydrophobicContact CE1-CD2 4.35Å; Y74-L195 HydrophobicContact CE2-CB 3.83Å; Y74-L195 HydrophobicContact CE2-CD2 4.01Å; Y74-L195 HydrophobicContact CG-CD2 4.42Å; Y119-L195 HydrophobicContact CD1-CD1 3.2Å; Y119-L195 HydrophobicContact CD2-CD1 3.73Å; Y119-L195 HydrophobicContact CE1-CD1 3.4Å; Y119-L195 HydrophobicContact CE2-CD1 3.9Å; Y119-L195 HydrophobicContact CG-CD1 3.36Å; H182-L195 VanDerWaalsContact CA-O 3.23Å; H182-L195 WeakPolarHBondContact CA-O 3.41Å; H182-L195 VanDerWaalsContact CB-O 3.23Å; H182-L195 WeakPolarHBondContact CB-O 3.21Å; S183-L195 PolarHBondContact N-O 2.78Å; D190-L195 PolarHBondContact O-N 3.38Å
196	I	98.3	Very high	96.2	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	144	178.2	176.3	67.4	0	0	0	109.5	Y94 L95 G96 F180 Y181 H182 G194 L222 L290	Y94-I196 HydrophobicContact CE2-CG2 3.75Å; L95-I196 HydrophobicContact CD2-CG1 4.46Å; L95-I196 HydrophobicContact CD2-CG2 3.73Å; G96-I196 PolarHBondContact N-O 3.16Å; F180-I196 HydrophobicContact CB-CD1 3.88Å; F180-I196 HydrophobicContact CD2-CD1 3.48Å; F180-I196 VanDerWaalsContact CD2-CD1 3.48Å; F180-I196 HydrophobicContact CE2-CD1 4.34Å; F180-I196 HydrophobicContact CG-CD1 3.96Å; Y181-I196 CarbonylContact O-C 3.46Å; Y181-I196 WeakPolarHBondContact O-CA 3.27Å; Y181-I196 WeakPolarHBondContact O-CD1 3.38Å; H182-I196 HydrophobicContact CB-CD1 3.98Å; G194-I196 PolarHBondContact O-N 2.88Å; I196-L222 HydrophobicContact CG1-CD2 4.36Å; I196-L222 HydrophobicContact CG2-CD2 3.88Å; I196-L290 HydrophobicContact CD1-CD1 4.13Å
197	G	98.3	Very high	96	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	155.1	172.6	0	0	0	0	0	112.8	F180 Y181	F180-G197 CarbonylContact C-O 3.57Å; F180-G197 VanDerWaalsContact CA-O 3.26Å; F180-G197 WeakPolarHBondContact CA-O 3.43Å; F180-G197 WeakPolarHBondContact CB-O 3.02Å; Y181-G197 VanDerWaalsContact CD1-O 3.26Å; Y181-G197 WeakPolarHBondContact CD1-O 3.41Å; Y181-G197 VanDerWaalsContact CE1-C 3.41Å; Y181-G197 WeakPolarHBondContact CE1-O 3.49Å; Y181-G197 PolarHBondContact N-O 3.48Å; Y181-G197 PolarHBondContact O-N 2.85Å
198	P	98	Very high	95.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	145.4	-177.3	30.8	-31	0	0	0	112.2	L92 G96 L98 L99 Y181 A220 I288	L92-P198 HydrophobicContact CD2-CG 3.92Å; G96-P198 WeakPolarHBondContact O-CD 3.02Å; L98-P198 HydrophobicContact CB-CG 4.37Å; L98-P198 HydrophobicContact CD1-CB 3.76Å; L98-P198 HydrophobicContact CD1-CG 3.68Å; L99-P198 PolarHBondContact N-O 3.05Å; Y181-P198 WeakPolarHBondContact CE1-O 3.46Å; P198-A220 HydrophobicContact CB-CB 3.76Å; P198-A220 HydrophobicContact CG-CB 3.88Å; P198-I288 HydrophobicContact CB-CD1 4.05Å
199	L	97.9	Very high	94.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	130	177	168.1	64	0	0	0	109.4	L99 A123 H124 L126 R179 Y181	L99-L199 HydrophobicContact CB-CB 4.5Å; L99-L199 HydrophobicContact CB-CD1 3.65Å; L99-L199 CarbonylContact O-C 3.5Å; L99-L199 WeakPolarHBondContact O-CA 3.25Å; A123-L199 HydrophobicContact CB-CD2 4.25Å; H124-L199 VanDerWaalsContact O-CD2 3.23Å; H124-L199 WeakPolarHBondContact O-CD2 3.31Å; L126-L199 HydrophobicContact CD1-CD1 4.28Å; L126-L199 HydrophobicContact CD1-CD2 3.67Å; L126-L199 HydrophobicContact CG-CD2 3.89Å; R179-L199 CarbonylContact C-O 3.57Å; R179-L199 VanDerWaalsContact C-O 3.25Å; R179-L199 VanDerWaalsContact CA-O 3.29Å; R179-L199 WeakPolarHBondContact CA-O 3.38Å; R179-L199 HydrophobicContact CB-CB 4.17Å; R179-L199 HydrophobicContact CB-CD2 4.23Å; R179-L199 HydrophobicContact CB-CG 4.16Å; R179-L199 WeakPolarHBondContact CB-O 3.39Å; R179-L199 PolarHBondContact N-O 3.15Å; R179-L199 PolarHBondContact O-N 2.76Å; Y181-L199 HydrophobicContact CD1-CB 4.22Å
200	L	97.1	Very high	93.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127	174.6	-49.2	-174.6	0	0	0	110.5	L98 L99 M100 A101 M177 T218 H286	L98-L200 HydrophobicContact CD1-CD1 4.12Å; L98-L200 HydrophobicContact CD1-CD2 4.13Å; L98-L200 HydrophobicContact CD1-CG 3.77Å; L98-L200 HydrophobicContact CD2-CD1 4.15Å; L98-L200 HydrophobicContact CG-CD1 4.47Å; L98-L200 HydrophobicContact CG-CG 4.45Å; L99-L200 PolarHBondContact O-N 3.29Å; M100-L200 WeakPolarHBondContact CA-O 3.13Å; M100-L200 HydrophobicContact CG-CB 4.08Å; M100-L200 HydrophobicContact CG-CD1 4.16Å; M100-L200 HydrophobicContact CG-CG 4.2Å; M100-L200 HydrophobicContact SD-CD1 4.31Å; A101-L200 PolarHBondContact N-O 3.41Å; M177-L200 WeakPolarHBondContact O-CA 3.49Å; L200-T218 HydrophobicContact CD1-CG2 4.22Å; L200-H286 HydrophobicContact CD2-CB 4.18Å; L200-H286 WeakPolarHBondContact CD2-ND1 3.46Å
201	T	96.6	Very high	92.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.6	171.5	57.3	0	0	0	0	108.6	L126 L163 P169 C176 M177 R179	L126-T201 HydrophobicContact CD2-CG2 4.08Å; L163-T201 HydrophobicContact CD1-CG2 4.11Å; L163-T201 HydrophobicContact CD2-CG2 4.07Å; P169-T201 VanDerWaalsContact CG-O 3.26Å; P169-T201 WeakPolarHBondContact CG-O 3.01Å; C176-T201 WeakPolarHBondContact CA-O 3.34Å; M177-T201 PolarHBondContact N-O 2.98Å; M177-T201 PolarHBondContact O-N 3.08Å; M177-T201 VanDerWaalsContact O-N 3.12Å; R179-T201 HydrophobicContact CG-CG2 4.01Å
202	C	96.2	Very high	91.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	155.8	-169.4	-56.2	0	0	0	0	113.2	A101 E102 D103 N175 C176 T206 L207	A101-C202 PolarHBondContact O-N 2.78Å; E102-C202 CarbonylContact C-O 3.6Å; E102-C202 VanDerWaalsContact CA-O 3.3Å; E102-C202 WeakPolarHBondContact CA-O 3.32Å; D103-C202 PolarHBondContact N-O 3.4Å; N175-C202 CarbonylContact O-C 3.6Å; N175-C202 WeakPolarHBondContact O-CA 3.47Å; C176-C202 HydrophobicContact CB-CB 4.12Å; C176-C202 WeakPolarHBondContact CB-SG 3.25Å; C176-C202 WeakPolarHBondContact SG-CB 3.47Å; C176-C202 CovalentContact SG-SG 2.04Å; C176-C202 PolarHBondContact SG-SG 2.8Å; C202-T206 HydrophobicContact CB-CG2 4.44Å; C202-L207 HydrophobicContact CB-CD1 4.43Å; C202-L207 HydrophobicContact CB-CD2 4.41Å; C202-L207 HydrophobicContact CB-CG 4.13Å; C202-L207 VanDerWaalsContact SG-CD2 3.6Å
203	K	95.5	Very high	91.3	Very high	48 Å²	48	41.7 Å²	41.7	21%	0.209	20%	0.203	C	C	.	.			trans	-64.8	148	168.1	-60.6	178.7	-169.2	176.4	0	109.3	P169 T170 A171 D173 S174 N175 G205 T206	P169-K203 HydrophobicContact CB-CG 3.94Å; P169-K203 HydrophobicContact CG-CG 4.13Å; T170-K203 WeakPolarHBondContact O-CE 3.43Å; T170-K203 PolarHBondContact O-NZ 3.11Å; A171-K203 PolarHBondContact O-NZ 3.06Å; D173-K203 WeakPolarHBondContact O-CE 3.39Å; D173-K203 PolarHBondContact O-NZ 3.17Å; S174-K203 WeakPolarHBondContact O-CE 3.46Å; N175-K203 PolarHBondContact O-N 3.16Å; K203-G205 PolarHBondContact O-N 3.17Å; K203-T206 VanDerWaalsContact O-CB 3.26Å; K203-T206 WeakPolarHBondContact O-CB 3.44Å; K203-T206 PolarHBondContact O-N 2.95Å; K203-T206 PolarHBondContact O-OG1 2.89Å
204	R	93.4	Very high	90.7	Very high	146 Å²	146	43.2 Å²	43.2	55%	0.551	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	131.7	178	-174.3	173.4	-66.3	157.4	9.7	112.4	D103	D103-R204 HydrophobicContact CB-CB 4.21Å; D103-R204 PolarHBondContact O-NE 3.44Å; D103-R204 PolarHBondContact O-NH2 3.49Å; D103-R204 IonicContact OD1-NH2 2.91Å; D103-R204 IonicContact OD2-CZ 2.66Å; D103-R204 IonicContact OD2-NH2 3.91Å
205	G	91	Very high	90.4	Very high	55 Å²	55	43.9 Å²	43.9	57%	0.567	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.1	17.3	177.1	0	0	0	0	0	115.3	E102 K203	E102-G205 VanDerWaalsContact CD-N 3.26Å; E102-G205 WeakPolarHBondContact OE1-CA 3.18Å; E102-G205 PolarHBondContact OE1-N 2.94Å; E102-G205 PolarHBondContact OE2-N 2.97Å; K203-G205 PolarHBondContact O-N 3.17Å
206	T	91.6	Very high	90.1	Very high	14 Å²	14	48.4 Å²	48.4	9%	0.086	25%	0.245	C	C	.	.			trans	-89.6	-39.4	177.1	-55.9	0	0	0	0	111.9	E102 N175 C202 K203 D212 R213	E102-T206 PolarHBondContact OE1-N 3.42Å; N175-T206 HydrophobicContact CB-CG2 3.62Å; C202-T206 HydrophobicContact CB-CG2 4.44Å; K203-T206 VanDerWaalsContact O-CB 3.26Å; K203-T206 WeakPolarHBondContact O-CB 3.44Å; K203-T206 PolarHBondContact O-N 2.95Å; K203-T206 PolarHBondContact O-OG1 2.89Å; T206-D212 WeakPolarHBondContact CG2-OD1 3.23Å; T206-R213 WeakPolarHBondContact O-CB 3.32Å; T206-R213 PolarHBondContact O-N 3.38Å
207	L	90.9	Very high	89.8	Confident	24 Å²	24	51.7 Å²	51.7	13%	0.126	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-83.2	139.9	-175.2	-63	-178.9	0	0	0	111.7	M100 E102 C202 G211	M100-L207 HydrophobicContact CB-CD1 3.7Å; M100-L207 HydrophobicContact CB-CD2 4.5Å; M100-L207 HydrophobicContact SD-CD2 4.04Å; E102-L207 HydrophobicContact CG-CB 4.02Å; E102-L207 HydrophobicContact CG-CD1 3.65Å; E102-L207 HydrophobicContact CG-CG 3.8Å; E102-L207 WeakPolarHBondContact OE1-CB 3.37Å; E102-L207 PolarHBondContact OE1-N 3.35Å; C202-L207 HydrophobicContact CB-CD1 4.43Å; C202-L207 HydrophobicContact CB-CD2 4.41Å; C202-L207 HydrophobicContact CB-CG 4.13Å; C202-L207 VanDerWaalsContact SG-CD2 3.6Å; L207-G211 CarbonylContact C-O 3.4Å; L207-G211 VanDerWaalsContact CA-O 3.26Å; L207-G211 WeakPolarHBondContact CA-O 3.26Å
208	D	82.2	Confident	89.7	Confident	68 Å²	68	53.2 Å²	53.2	36%	0.364	27%	0.267	S	S	.	.			trans	-122.9	-163.7	168.1	71.4	17.6	0	0	0	111.7	H210 G211	D208-H210 PolarHBondContact O-N 3.39Å; D208-H210 WeakPolarHBondContact OD1-CA 3.45Å; D208-H210 WeakPolarHBondContact OD1-CB 3.44Å; D208-H210 PolarHBondContact OD1-N 2.87Å; D208-G211 PolarHBondContact N-O 2.96Å; D208-G211 PolarHBondContact OD1-N 2.74Å; D208-G211 VanDerWaalsContact OD1-N 3.13Å
209	I	72.8	Confident	89.6	Confident	154 Å²	154	53.8 Å²	53.8	79%	0.79	27%	0.27	S	S	*	.	S	Bend	trans	-68.3	-16.6	179.6	61	167.6	0	0	0	113.6
210	H	70.1	Confident	89.6	Confident	165 Å²	165	53.8 Å²	53.8	76%	0.764	27%	0.27	S	S	*	.	S	Bend	trans	-105.7	-11.8	-177.4	-62.5	-54.9	0	0	0	113.1	D208	D208-H210 PolarHBondContact O-N 3.39Å; D208-H210 WeakPolarHBondContact OD1-CA 3.45Å; D208-H210 WeakPolarHBondContact OD1-CB 3.44Å; D208-H210 PolarHBondContact OD1-N 2.87Å
211	G	81.1	Confident	89.7	Confident	5 Å²	5	53.8 Å²	53.8	5%	0.052	27%	0.27	C	S	.	.	S	Bend	trans	128.2	-137.5	177.7	0	0	0	0	0	111.4	L207 D208 R213	L207-G211 CarbonylContact C-O 3.4Å; L207-G211 VanDerWaalsContact CA-O 3.26Å; L207-G211 WeakPolarHBondContact CA-O 3.26Å; D208-G211 PolarHBondContact N-O 2.96Å; D208-G211 PolarHBondContact OD1-N 2.74Å; D208-G211 VanDerWaalsContact OD1-N 3.13Å; G211-R213 PolarHBondContact O-N 3.41Å
212	D	85.6	Confident	89.8	Confident	6 Å²	6	53.8 Å²	53.8	3%	0.032	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-70.5	110.3	175.3	-178.4	-2.3	0	0	0	110.9	T206 A214 A215 H284	T206-D212 WeakPolarHBondContact CG2-OD1 3.23Å; D212-A214 PolarHBondContact O-N 2.84Å; D212-A214 VanDerWaalsContact OD1-CB 3.26Å; D212-A214 WeakPolarHBondContact OD1-CB 3.49Å; D212-A214 PolarHBondContact OD1-N 2.97Å; D212-A215 PolarHBondContact O-N 2.97Å; D212-H284 IonicContact OD2-CE1 3.31Å; D212-H284 PolarHBondContact OD2-CE1 2.72Å; D212-H284 IonicContact OD2-CG 2.73Å; D212-H284 IonicContact OD2-ND1 2.58Å; D212-H284 PolarHBondContact OD2-ND1 3.31Å
213	R	86.4	Confident	89.9	Confident	189 Å²	189	53.8 Å²	53.8	71%	0.713	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.2	-179.5	-173.8	-178.9	158.7	-161	-5.4	113.2	T206 G211 A215	T206-R213 WeakPolarHBondContact O-CB 3.32Å; T206-R213 PolarHBondContact O-N 3.38Å; G211-R213 PolarHBondContact O-N 3.41Å; R213-A215 VanDerWaalsContact C-N 3.3Å
214	A	86.2	Confident	90	Very high	33 Å²	33	52 Å²	52	27%	0.273	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-16.8	179	0	0	0	0	0	113.1	D212	D212-A214 PolarHBondContact O-N 2.84Å; D212-A214 VanDerWaalsContact OD1-CB 3.26Å; D212-A214 WeakPolarHBondContact OD1-CB 3.49Å; D212-A214 PolarHBondContact OD1-N 2.97Å
215	A	90.3	Very high	90.2	Very high	14 Å²	14	45.2 Å²	45.2	12%	0.116	24%	0.237	C	C	.	.			trans	-110.5	150.2	176.9	0	0	0	0	0	111.7	D212 R213 Y217 H284	D212-A215 PolarHBondContact O-N 2.97Å; R213-A215 VanDerWaalsContact C-N 3.3Å; A215-Y217 WeakPolarHBondContact CB-O 3.43Å; A215-H284 HydrophobicContact CB-CB 4Å
216	D	92.4	Very high	90.4	Very high	94 Å²	94	42.7 Å²	42.7	50%	0.503	21%	0.211	S	C	.	.	S	Bend	trans	-84.5	-28.3	166.5	-59.8	-67	0	0	0	110.9	N281 K282	D216-N281 HydrophobicContact CB-CB 3.74Å; D216-N281 PolarHBondContact OD1-ND2 3Å; D216-N281 WeakPolarHBondContact OD2-CA 3.3Å; D216-N281 VanDerWaalsContact OD2-CB 3.25Å; D216-N281 WeakPolarHBondContact OD2-CB 3.45Å; D216-N281 PolarHBondContact OD2-ND2 3.29Å; D216-K282 WeakPolarHBondContact CB-O 3.36Å; D216-K282 PolarHBondContact N-O 3.48Å; D216-K282 PolarHBondContact OD2-N 3.33Å
217	Y	93.3	Very high	90.7	Very high	70 Å²	70	43.5 Å²	43.5	28%	0.275	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.6	177.6	-61.9	-92.4	0	0	0	110.9	A215 A277 C278 N281 K282 I283 H284	A215-Y217 WeakPolarHBondContact CB-O 3.43Å; Y217-A277 HydrophobicContact CD2-CB 3.96Å; Y217-A277 HydrophobicContact CE2-CB 4.11Å; Y217-A277 HydrophobicContact CG-CB 4.23Å; Y217-C278 HydrophobicContact CE2-CB 4.5Å; Y217-C278 PolarHBondContact OH-SG 2.99Å; Y217-C278 VanDerWaalsContact OH-SG 3.42Å; Y217-N281 HydrophobicContact CD2-CB 4.05Å; Y217-N281 HydrophobicContact CE2-CB 3.79Å; Y217-K282 PolarHBondContact N-O 2.91Å; Y217-K282 VanDerWaalsContact N-O 3.12Å; Y217-I283 HydrophobicContact CD2-CG1 4.35Å; Y217-I283 WeakPolarHBondContact O-CA 3.14Å; Y217-H284 PolarHBondContact O-N 3.23Å
218	T	94.4	Very high	91.1	Very high	32 Å²	32	42.3 Å²	42.3	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123	177.2	-56.5	0	0	0	0	109	W91 L200 H286	W91-T218 WeakPolarHBondContact CZ2-O 3.36Å; L200-T218 HydrophobicContact CD1-CG2 4.22Å; T218-H286 VanDerWaalsContact CG2-CD2 3.42Å; T218-H286 WeakPolarHBondContact CG2-CD2 3.14Å
219	Y	97	Very high	91.8	Very high	12 Å²	12	40.6 Å²	40.6	5%	0.047	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134	176.1	-65.9	-66.2	0	0	0	109.7	W91 L275 S276 I283 H284 W285 H286	W91-Y219 AromaticContact CD1-CD1 3.77Å; W91-Y219 AromaticContact CD1-CE1 3.57Å; W91-Y219 AromaticContact CD2-CD1 3.76Å; W91-Y219 HydrophobicContact CD2-CD1 3.76Å; W91-Y219 HydrophobicContact CD2-CE1 4.36Å; W91-Y219 AromaticContact CE2-CD1 3.75Å; W91-Y219 HydrophobicContact CE3-CD1 4.35Å; W91-Y219 AromaticContact CG-CD1 3.83Å; W91-Y219 HydrophobicContact CG-CD1 3.83Å; W91-Y219 HydrophobicContact CG-CE1 4.04Å; W91-Y219 HydrophobicContact CZ2-CD1 4.39Å; W91-Y219 AromaticContact NE1-CD1 3.69Å; W91-Y219 AromaticContact NE1-CE1 3.62Å; Y219-L275 HydrophobicContact CD1-CD2 3.51Å; Y219-L275 HydrophobicContact CE1-CD2 3.79Å; Y219-L275 HydrophobicContact CG-CD2 3.94Å; Y219-S276 PolarHBondContact OH-N 2.81Å; Y219-S276 PolarHBondContact OH-O 3.37Å; Y219-I283 HydrophobicContact CD2-CG2 3.63Å; Y219-I283 HydrophobicContact CE2-CG2 4.01Å; Y219-H284 PolarHBondContact N-O 3.18Å; Y219-W285 HydrophobicContact CD2-CE3 4.12Å; Y219-W285 AromaticContact CD2-CH2 3.84Å; Y219-W285 HydrophobicContact CD2-CH2 3.84Å; Y219-W285 HydrophobicContact CD2-CZ2 4.31Å; Y219-W285 AromaticContact CD2-CZ3 3.72Å; Y219-W285 HydrophobicContact CD2-CZ3 3.72Å; Y219-W285 HydrophobicContact CE2-CH2 4.39Å; Y219-W285 HydrophobicContact CG-CE3 4.24Å; Y219-W285 HydrophobicContact CG-CH2 4.42Å; Y219-W285 AromaticContact CG-CZ3 3.89Å; Y219-W285 HydrophobicContact CG-CZ3 3.89Å; Y219-H286 PolarHBondContact O-N 3.28Å
220	A	97.6	Very high	92.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.7	171.6	0	0	0	0	0	110	W91 L92 P198 N265 H286	W91-A220 HydrophobicContact CH2-CB 4.34Å; W91-A220 HydrophobicContact CZ3-CB 3.87Å; W91-A220 WeakPolarHBondContact CZ3-O 3.5Å; L92-A220 HydrophobicContact CD2-CB 4.37Å; P198-A220 HydrophobicContact CB-CB 3.76Å; P198-A220 HydrophobicContact CG-CB 3.88Å; A220-N265 PolarHBondContact O-ND2 3.34Å; A220-H286 CarbonylContact C-O 3.58Å; A220-H286 VanDerWaalsContact CA-O 3.27Å; A220-H286 WeakPolarHBondContact CA-O 3.05Å; A220-H286 HydrophobicContact CB-CB 4.12Å
221	L	98.5	Very high	94.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.3	-175.2	-55.9	-178.8	0	0	0	110.1	F223 I264 N265 L272 L275 W285 H286 L287 I288 L338	L221-F223 HydrophobicContact CB-CD2 4.42Å; L221-F223 HydrophobicContact CB-CE2 3.82Å; L221-F223 HydrophobicContact CD1-CE2 4.29Å; L221-I264 HydrophobicContact CB-CG2 4.22Å; L221-I264 HydrophobicContact CD2-CG2 4.2Å; L221-N265 WeakPolarHBondContact CA-OD1 3.14Å; L221-L272 HydrophobicContact CD2-CD2 4.14Å; L221-L275 HydrophobicContact CD2-CD2 4.33Å; L221-W285 HydrophobicContact CD1-CE3 3.74Å; L221-W285 HydrophobicContact CD1-CZ3 3.79Å; L221-W285 HydrophobicContact CG-CE3 4.34Å; L221-W285 HydrophobicContact CG-CZ3 4.48Å; L221-H286 PolarHBondContact N-O 2.74Å; L221-L287 HydrophobicContact CB-CD2 3.99Å; L221-L287 HydrophobicContact CD1-CD2 4.06Å; L221-L287 HydrophobicContact CG-CD2 4.37Å; L221-L287 WeakPolarHBondContact O-CA 3.37Å; L221-I288 PolarHBondContact O-N 2.95Å; L221-L338 HydrophobicContact CD1-CD2 3.56Å
222	L	98.6	Very high	95	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.2	168.5	175.1	67.2	0	0	0	108.7	Y94 L95 I196 M224 I264 N265 I288 L290	Y94-L222 HydrophobicContact CE2-CD2 4.36Å; L95-L222 HydrophobicContact CD1-CB 4.07Å; L95-L222 HydrophobicContact CD2-CB 3.88Å; L95-L222 HydrophobicContact CD2-CD2 3.54Å; L95-L222 HydrophobicContact CD2-CG 4.35Å; L95-L222 HydrophobicContact CG-CB 4.49Å; I196-L222 HydrophobicContact CG1-CD2 4.36Å; I196-L222 HydrophobicContact CG2-CD2 3.88Å; L222-M224 HydrophobicContact CD1-CB 4.22Å; L222-M224 HydrophobicContact CD2-CB 4.14Å; L222-M224 HydrophobicContact CD2-SD 4.28Å; L222-M224 HydrophobicContact CG-CB 3.96Å; L222-I264 WeakPolarHBondContact O-CA 3.37Å; L222-N265 WeakPolarHBondContact CB-OD1 3.49Å; L222-N265 PolarHBondContact N-OD1 3.04Å; L222-N265 PolarHBondContact O-N 3.25Å; L222-I288 WeakPolarHBondContact CA-O 3.38Å; L222-I288 HydrophobicContact CD1-CB 4.06Å; L222-I288 HydrophobicContact CD1-CG2 3.72Å; L222-L290 HydrophobicContact CD1-CB 3.82Å
223	F	98.5	Very high	95.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	116.3	166.8	-69	-102.1	0	0	0	107.3	L221 I264 L287 I288 L290 H297 V299 L318 L338 M350	L221-F223 HydrophobicContact CB-CD2 4.42Å; L221-F223 HydrophobicContact CB-CE2 3.82Å; L221-F223 HydrophobicContact CD1-CE2 4.29Å; F223-I264 HydrophobicContact CD1-CD1 4.35Å; F223-I264 HydrophobicContact CD1-CG1 3.99Å; F223-I264 HydrophobicContact CE1-CD1 3.55Å; F223-I264 HydrophobicContact CE1-CG1 3.68Å; F223-I264 HydrophobicContact CE2-CG2 4.36Å; F223-I264 HydrophobicContact CZ-CD1 3.92Å; F223-I264 HydrophobicContact CZ-CG1 4.18Å; F223-I264 HydrophobicContact CZ-CG2 4.2Å; F223-L287 HydrophobicContact CE2-CD2 4.12Å; F223-I288 PolarHBondContact N-O 2.88Å; F223-L290 PolarHBondContact O-N 2.81Å; F223-H297 HydrophobicContact CB-CB 4.2Å; F223-V299 HydrophobicContact CD1-CG2 3.74Å; F223-V299 HydrophobicContact CD2-CG2 3.95Å; F223-V299 HydrophobicContact CE1-CB 4.28Å; F223-V299 HydrophobicContact CE1-CG1 3.82Å; F223-V299 HydrophobicContact CE1-CG2 3.55Å; F223-V299 HydrophobicContact CE2-CG1 4Å; F223-V299 HydrophobicContact CE2-CG2 3.79Å; F223-V299 HydrophobicContact CG-CG2 3.95Å; F223-V299 HydrophobicContact CZ-CB 4.13Å; F223-V299 HydrophobicContact CZ-CG1 3.35Å; F223-V299 HydrophobicContact CZ-CG2 3.59Å; F223-L318 HydrophobicContact CB-CD1 4.14Å; F223-L318 HydrophobicContact CD2-CD1 3.55Å; F223-L318 HydrophobicContact CE2-CD1 4.25Å; F223-L318 HydrophobicContact CG-CD1 3.99Å; F223-L338 HydrophobicContact CZ-CD2 4.44Å; F223-L338 HydrophobicContact CZ-CG 4.49Å; F223-M350 HydrophobicContact CB-SD 4.4Å; F223-M350 HydrophobicContact CD1-CG 4.28Å; F223-M350 HydrophobicContact CD1-SD 3.82Å
224	M	97.5	Very high	96.2	Very high	9 Å²	9	22 Å²	22	4%	0.044	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	133.6	-176.2	175.3	175.8	-174	0	0	110.4	V191 L222 S226 G263 L290 D295	V191-M224 HydrophobicContact CG1-CE 3.7Å; V191-M224 HydrophobicContact CG1-SD 3.95Å; L222-M224 HydrophobicContact CD1-CB 4.22Å; L222-M224 HydrophobicContact CD2-CB 4.14Å; L222-M224 HydrophobicContact CD2-SD 4.28Å; L222-M224 HydrophobicContact CG-CB 3.96Å; M224-S226 PolarHBondContact O-N 3.09Å; M224-G263 PolarHBondContact N-O 3.01Å; M224-G263 PolarHBondContact O-N 3.25Å; M224-L290 WeakPolarHBondContact CA-O 3.36Å; M224-L290 VanDerWaalsContact CB-O 3.3Å; M224-L290 WeakPolarHBondContact CB-O 3.49Å; M224-L290 WeakPolarHBondContact CG-O 3.37Å; M224-D295 WeakPolarHBondContact CA-OD1 3.11Å
225	V	97.6	Very high	96.7	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.03	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	96.2	160	-173.4	0	0	0	0	107.3	D227 K260 H262 V294 D295 M350	V225-D227 PolarHBondContact O-N 3.15Å; V225-K260 HydrophobicContact CG1-CB 3.84Å; V225-K260 HydrophobicContact CG1-CG 4.5Å; V225-H262 WeakPolarHBondContact CG2-CD2 3.35Å; V225-V294 HydrophobicContact CB-CG2 4.23Å; V225-V294 HydrophobicContact CG1-CG2 4.44Å; V225-V294 HydrophobicContact CG2-CG2 4.16Å; V225-D295 WeakPolarHBondContact CG2-OD1 3.41Å; V225-D295 PolarHBondContact N-OD1 2.82Å; V225-M350 HydrophobicContact CG2-CE 4.15Å
226	S	96.6	Very high	97	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.014	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	93.2	-178.8	-59.8	0	0	0	0	109.6	Y35 Y94 M224 E228 M261	Y35-S226 WeakPolarHBondContact OH-CB 3.42Å; Y94-S226 PolarHBondContact OH-OG 2.89Å; M224-S226 PolarHBondContact O-N 3.09Å; S226-E228 PolarHBondContact O-N 3.47Å; S226-M261 PolarHBondContact N-O 2.88Å; S226-M261 PolarHBondContact O-N 3.39Å
227	D	97.6	Very high	97.3	Very high	30 Å²	30	21.5 Å²	21.5	16%	0.16	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	98	178	-172.2	-10.3	0	0	0	111.5	A192 V225 N229 L230	A192-D227 WeakPolarHBondContact CB-O 3.29Å; V225-D227 PolarHBondContact O-N 3.15Å; D227-N229 PolarHBondContact O-N 2.99Å; D227-N229 WeakPolarHBondContact OD1-CA 3.28Å; D227-N229 WeakPolarHBondContact OD1-CB 3Å; D227-N229 VanDerWaalsContact OD1-CG 3.32Å; D227-N229 PolarHBondContact OD1-N 2.99Å; D227-N229 PolarHBondContact OD1-ND2 3.14Å; D227-L230 HydrophobicContact CB-CD1 4.29Å; D227-L230 HydrophobicContact CB-CG 4.38Å; D227-L230 PolarHBondContact O-N 2.92Å
228	E	98.2	Very high	97.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-9.5	178.4	-65.8	-74.4	-176	0	0	113	Y35 Y69 K71 S226 L230 S231 N259 M261	Y35-E228 HydrophobicContact CE2-CG 4.48Å; Y35-E228 PolarHBondContact OH-OE1 3.34Å; Y69-E228 HydrophobicContact CD1-CB 3.73Å; Y69-E228 HydrophobicContact CD1-CG 3.54Å; Y69-E228 HydrophobicContact CD2-CG 4.31Å; Y69-E228 HydrophobicContact CE1-CB 3.62Å; Y69-E228 HydrophobicContact CE1-CG 3.72Å; Y69-E228 HydrophobicContact CE2-CG 4.44Å; Y69-E228 HydrophobicContact CG-CG 3.87Å; K71-E228 IonicContact NZ-OE1 3.57Å; K71-E228 PolarHBondContact NZ-OE1 3.29Å; K71-E228 IonicContact NZ-OE2 3.47Å; S226-E228 PolarHBondContact O-N 3.47Å; E228-L230 VanDerWaalsContact C-N 3.27Å; E228-S231 VanDerWaalsContact O-CB 3.23Å; E228-S231 WeakPolarHBondContact O-CB 3.45Å; E228-S231 PolarHBondContact O-N 3.43Å; E228-S231 VanDerWaalsContact OE2-CB 3.22Å; E228-S231 WeakPolarHBondContact OE2-CB 3.45Å; E228-S231 PolarHBondContact OE2-OG 3.03Å; E228-N259 HydrophobicContact CB-CB 4.25Å; E228-N259 PolarHBondContact N-O 2.81Å; E228-M261 HydrophobicContact CG-CG 4.34Å
229	N	97.6	Very high	97.6	Very high	32 Å²	32	25.7 Å²	25.7	17%	0.171	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-30	172.4	-52	-71.3	0	0	0	111.3	D227 I256 N259	D227-N229 PolarHBondContact O-N 2.99Å; D227-N229 WeakPolarHBondContact OD1-CA 3.28Å; D227-N229 WeakPolarHBondContact OD1-CB 3Å; D227-N229 VanDerWaalsContact OD1-CG 3.32Å; D227-N229 PolarHBondContact OD1-N 2.99Å; D227-N229 PolarHBondContact OD1-ND2 3.14Å; N229-I256 PolarHBondContact ND2-O 2.74Å; N229-N259 WeakPolarHBondContact OD1-CB 3.41Å; N229-N259 PolarHBondContact OD1-ND2 3.41Å
230	L	96.3	Very high	97.5	Very high	57 Å²	57	29.9 Å²	29.9	30%	0.298	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-16.5	175.9	-62.1	179.7	0	0	0	113.3	K189 A192 D227 E228 T1047	K189-L230 WeakPolarHBondContact CB-O 3.44Å; K189-L230 WeakPolarHBondContact CE-O 3.34Å; K189-L230 WeakPolarHBondContact CG-O 3.43Å; A192-L230 HydrophobicContact CB-CB 3.85Å; D227-L230 HydrophobicContact CB-CD1 4.29Å; D227-L230 HydrophobicContact CB-CG 4.38Å; D227-L230 PolarHBondContact O-N 2.92Å; E228-L230 VanDerWaalsContact C-N 3.27Å; L230-T1047 HydrophobicContact CD1-CG2 3.59Å
231	S	97.6	Very high	97.4	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.028	15%	0.154	C	C	.	.	S	Bend	trans	-56.8	141.5	-179.3	-176.7	0	0	0	0	112	E228 Y233 L234	E228-S231 VanDerWaalsContact O-CB 3.23Å; E228-S231 WeakPolarHBondContact O-CB 3.45Å; E228-S231 PolarHBondContact O-N 3.43Å; E228-S231 VanDerWaalsContact OE2-CB 3.22Å; E228-S231 WeakPolarHBondContact OE2-CB 3.45Å; E228-S231 PolarHBondContact OE2-OG 3.03Å; S231-Y233 PolarHBondContact O-N 3.46Å; S231-Y233 VanDerWaalsContact O-N 3.08Å; S231-Y233 PolarHBondContact OG-N 3.3Å; S231-L234 PolarHBondContact O-N 3.27Å
232	W	97.5	Very high	97.3	Very high	49 Å²	49	31.9 Å²	31.9	19%	0.186	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.2	172.1	-74.1	115.2	0	0	0	113	R117 Y119 R186 K189 D190 S193	R117-W232 VanDerWaalsContact NH1-CD2 3.28Å; R117-W232 VanDerWaalsContact NH1-CZ2 3.3Å; Y119-W232 AromaticContact CE1-CD1 3.89Å; R186-W232 HydrophobicContact CB-CZ2 3.8Å; R186-W232 HydrophobicContact CG-CH2 4.24Å; R186-W232 HydrophobicContact CG-CZ2 3.71Å; K189-W232 HydrophobicContact CB-CD2 4.05Å; K189-W232 HydrophobicContact CB-CG 4.28Å; K189-W232 HydrophobicContact CB-CZ2 4Å; K189-W232 HydrophobicContact CD-CD2 4.22Å; K189-W232 HydrophobicContact CD-CE3 4.16Å; K189-W232 HydrophobicContact CD-CH2 3.84Å; K189-W232 HydrophobicContact CD-CZ2 3.89Å; K189-W232 HydrophobicContact CD-CZ3 3.97Å; K189-W232 HydrophobicContact CG-CZ2 4.46Å; D190-W232 PolarHBondContact OD1-NE1 3.14Å; S193-W232 VanDerWaalsContact OG-CD1 3.29Å; S193-W232 PolarHBondContact OG-N 3.19Å
233	Y	98.3	Very high	96.9	Very high	3 Å²	3	38 Å²	38	1%	0.012	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	7.8	-172.9	-54.6	-67.8	0	0	0	113.8	E30 K70 A72 Y119 S231 D235 D236 N237	E30-Y233 HydrophobicContact CG-CE1 4.17Å; E30-Y233 PolarHBondContact OE1-OH 3.22Å; K70-Y233 HydrophobicContact CB-CG 4.43Å; K70-Y233 HydrophobicContact CD-CD1 3.81Å; K70-Y233 HydrophobicContact CD-CE1 4.42Å; K70-Y233 HydrophobicContact CD-CG 4.19Å; K70-Y233 HydrophobicContact CG-CD1 4.13Å; K70-Y233 HydrophobicContact CG-CG 4.07Å; K70-Y233 WeakPolarHBondContact O-CB 3.45Å; K70-Y233 WeakPolarHBondContact O-CD2 3.37Å; A72-Y233 HydrophobicContact CB-CE2 3.85Å; Y119-Y233 PolarHBondContact OH-OH 3.13Å; S231-Y233 PolarHBondContact O-N 3.46Å; S231-Y233 VanDerWaalsContact O-N 3.08Å; S231-Y233 PolarHBondContact OG-N 3.3Å; Y233-D235 VanDerWaalsContact C-N 3.32Å; Y233-D235 PolarHBondContact O-N 2.88Å; Y233-D236 WeakPolarHBondContact O-CB 3.21Å; Y233-D236 PolarHBondContact O-N 3.43Å; Y233-D236 VanDerWaalsContact O-N 3.08Å; Y233-N237 WeakPolarHBondContact O-CB 3.39Å; Y233-N237 VanDerWaalsContact O-CG 3.29Å; Y233-N237 PolarHBondContact O-N 3.49Å; Y233-N237 PolarHBondContact O-ND2 3.33Å; Y233-N237 VanDerWaalsContact O-ND2 3.15Å
234	L	98.1	Very high	96.6	Very high	15 Å²	15	44 Å²	44	8%	0.079	23%	0.226	C	C	.	.	H	α-helix	trans	-51.7	-49.3	179.5	179.8	64.6	0	0	0	112.1	I65 S231 D236 N237 I238 K250 F255	I65-L234 HydrophobicContact CD1-CD1 4.25Å; S231-L234 PolarHBondContact O-N 3.27Å; L234-D236 VanDerWaalsContact C-N 3.34Å; L234-D236 PolarHBondContact O-N 3.38Å; L234-N237 PolarHBondContact O-N 3.25Å; L234-N237 VanDerWaalsContact O-N 3.16Å; L234-I238 HydrophobicContact CD1-CD1 4.13Å; L234-I238 HydrophobicContact CD1-CG1 4.32Å; L234-I238 HydrophobicContact CD2-CD1 4.5Å; L234-I238 HydrophobicContact CG-CD1 3.93Å; L234-I238 HydrophobicContact CG-CG1 4.49Å; L234-I238 WeakPolarHBondContact O-CG1 3.41Å; L234-I238 PolarHBondContact O-N 3.22Å; L234-K250 HydrophobicContact CD2-CD 4.17Å; L234-K250 HydrophobicContact CD2-CG 4.41Å; L234-F255 HydrophobicContact CD1-CE1 4.33Å; L234-F255 HydrophobicContact CD1-CZ 4.2Å
235	D	96.9	Very high	96.3	Very high	87 Å²	87	46.9 Å²	46.9	47%	0.465	25%	0.245	S	C	.	.	H	α-helix	trans	-66.7	-32.4	179.9	-76.8	-41.1	0	0	0	113.8	Y233 R239 K250	Y233-D235 VanDerWaalsContact C-N 3.32Å; Y233-D235 PolarHBondContact O-N 2.88Å; D235-R239 VanDerWaalsContact O-CB 3.31Å; D235-R239 WeakPolarHBondContact O-CB 3.41Å; D235-R239 PolarHBondContact O-N 3.3Å; D235-R239 VanDerWaalsContact O-N 3.14Å; D235-K250 VanDerWaalsContact CG-NZ 3.29Å; D235-K250 WeakPolarHBondContact OD1-CE 3.47Å; D235-K250 IonicContact OD1-NZ 2.73Å; D235-K250 PolarHBondContact OD1-NZ 3.04Å; D235-K250 IonicContact OD2-NZ 3.53Å; D235-K250 PolarHBondContact OD2-NZ 2.88Å
236	D	97.4	Very high	96.1	Very high	42 Å²	42	50.6 Å²	50.6	23%	0.225	26%	0.264	C	S	.	.	H	α-helix	trans	-69.2	-39.9	173.1	-80	-8.4	0	0	0	110.4	K70 Y233 L234 R239 T240	K70-D236 HydrophobicContact CD-CB 4.23Å; K70-D236 IonicContact NZ-OD2 2.75Å; K70-D236 PolarHBondContact NZ-OD2 2.9Å; Y233-D236 WeakPolarHBondContact O-CB 3.21Å; Y233-D236 PolarHBondContact O-N 3.43Å; Y233-D236 VanDerWaalsContact O-N 3.08Å; L234-D236 VanDerWaalsContact C-N 3.34Å; L234-D236 PolarHBondContact O-N 3.38Å; D236-R239 PolarHBondContact O-N 3.38Å; D236-R239 IonicContact OD1-CZ 2.74Å; D236-R239 IonicContact OD1-NH1 2.76Å; D236-R239 IonicContact OD1-NH2 3.24Å; D236-R239 PolarHBondContact OD1-NH2 2.78Å; D236-T240 VanDerWaalsContact O-CB 3.26Å; D236-T240 WeakPolarHBondContact O-CB 3.37Å; D236-T240 PolarHBondContact O-N 2.84Å; D236-T240 PolarHBondContact O-OG1 3.48Å
237	N	97.9	Very high	95.8	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-67.9	-45.3	178.2	-70.4	-35.5	0	0	0	111.6	I65 Y69 K70 Y233 L234 R239 T240 H241	I65-N237 HydrophobicContact CD1-CB 3.99Å; Y69-N237 HydrophobicContact CD1-CB 4.32Å; K70-N237 WeakPolarHBondContact CB-OD1 3.24Å; K70-N237 PolarHBondContact N-OD1 2.94Å; Y233-N237 WeakPolarHBondContact O-CB 3.39Å; Y233-N237 VanDerWaalsContact O-CG 3.29Å; Y233-N237 PolarHBondContact O-N 3.49Å; Y233-N237 PolarHBondContact O-ND2 3.33Å; Y233-N237 VanDerWaalsContact O-ND2 3.15Å; L234-N237 PolarHBondContact O-N 3.25Å; L234-N237 VanDerWaalsContact O-N 3.16Å; N237-R239 PolarHBondContact O-N 3.32Å; N237-T240 PolarHBondContact O-N 3.16Å; N237-H241 WeakPolarHBondContact O-CB 3.25Å; N237-H241 PolarHBondContact O-CD2 3.42Å; N237-H241 VanDerWaalsContact O-CD2 3.23Å; N237-H241 PolarHBondContact O-N 3.2Å
238	I	97.6	Very high	95.5	Very high	15 Å²	15	64.4 Å²	64.4	8%	0.077	32%	0.32	C	S	.	.	H	α-helix	trans	-57.1	-51.1	173.7	-67.9	168.7	0	0	0	109.7	I65 L234 T240 H241 I242 P245 L249 K250 F255	I65-I238 HydrophobicContact CD1-CG1 4.29Å; L234-I238 HydrophobicContact CD1-CD1 4.13Å; L234-I238 HydrophobicContact CD1-CG1 4.32Å; L234-I238 HydrophobicContact CD2-CD1 4.5Å; L234-I238 HydrophobicContact CG-CD1 3.93Å; L234-I238 HydrophobicContact CG-CG1 4.49Å; L234-I238 WeakPolarHBondContact O-CG1 3.41Å; L234-I238 PolarHBondContact O-N 3.22Å; I238-T240 VanDerWaalsContact C-N 3.26Å; I238-T240 PolarHBondContact O-N 2.68Å; I238-H241 PolarHBondContact O-N 3.15Å; I238-I242 HydrophobicContact CG2-CB 4.31Å; I238-I242 HydrophobicContact CG2-CD1 4.43Å; I238-I242 WeakPolarHBondContact O-CA 3.28Å; I238-I242 WeakPolarHBondContact O-CB 3.44Å; I238-I242 PolarHBondContact O-N 2.95Å; I238-P245 HydrophobicContact CG2-CB 4.2Å; I238-P245 HydrophobicContact CG2-CG 4.37Å; I238-L249 HydrophobicContact CG2-CD2 4.39Å; I238-K250 HydrophobicContact CD1-CG 4.29Å; I238-F255 HydrophobicContact CD1-CE1 4.33Å; I238-F255 HydrophobicContact CD1-CZ 3.91Å; I238-F255 HydrophobicContact CG1-CZ 3.91Å
239	R	96.4	Very high	95.3	Very high	175 Å²	175	64.7 Å²	64.7	66%	0.66	32%	0.321	S	S	*	.	H	α-helix	trans	-62.2	-33.4	-178.8	-164.7	-172.2	-37.9	138.4	25.2	113.3	D235 D236 N237	D235-R239 VanDerWaalsContact O-CB 3.31Å; D235-R239 WeakPolarHBondContact O-CB 3.41Å; D235-R239 PolarHBondContact O-N 3.3Å; D235-R239 VanDerWaalsContact O-N 3.14Å; D236-R239 PolarHBondContact O-N 3.38Å; D236-R239 IonicContact OD1-CZ 2.74Å; D236-R239 IonicContact OD1-NH1 2.76Å; D236-R239 IonicContact OD1-NH2 3.24Å; D236-R239 PolarHBondContact OD1-NH2 2.78Å; N237-R239 PolarHBondContact O-N 3.32Å
240	T	95.9	Very high	95.2	Very high	101 Å²	101	67.6 Å²	67.6	62%	0.62	33%	0.333	S	S	*	.	H	α-helix	trans	-78.9	-39.7	-178.6	-58.7	0	0	0	0	111.7	D236 N237 I238	D236-T240 VanDerWaalsContact O-CB 3.26Å; D236-T240 WeakPolarHBondContact O-CB 3.37Å; D236-T240 PolarHBondContact O-N 2.84Å; D236-T240 PolarHBondContact O-OG1 3.48Å; N237-T240 PolarHBondContact O-N 3.16Å; I238-T240 VanDerWaalsContact C-N 3.26Å; I238-T240 PolarHBondContact O-N 2.68Å
241	H	95.5	Very high	95.1	Very high	34 Å²	34	71.2 Å²	71.2	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-103.4	-24.7	-168.6	-66	-90.4	0	0	0	114	K60 I65 V68 N237 I238	K60-H241 WeakPolarHBondContact CE-O 3.43Å; K60-H241 PolarHBondContact NZ-O 2.72Å; I65-H241 HydrophobicContact CB-CB 4.44Å; I65-H241 HydrophobicContact CG2-CB 4.02Å; V68-H241 PolarHBondContact O-CE1 3.08Å; V68-H241 PolarHBondContact O-NE2 3.22Å; N237-H241 WeakPolarHBondContact O-CB 3.25Å; N237-H241 PolarHBondContact O-CD2 3.42Å; N237-H241 VanDerWaalsContact O-CD2 3.23Å; N237-H241 PolarHBondContact O-N 3.2Å; I238-H241 PolarHBondContact O-N 3.15Å
242	I	95.3	Very high	95	Very high	8 Å²	8	73.4 Å²	73.4	4%	0.041	36%	0.359	C	S	.	.			trans	-116.4	119.1	-175	-61.4	175.4	0	0	0	110.4	P62 I65 I238 P245 L249 F255	P62-I242 WeakPolarHBondContact O-CG2 3.23Å; I65-I242 HydrophobicContact CG1-CD1 4.12Å; I238-I242 HydrophobicContact CG2-CB 4.31Å; I238-I242 HydrophobicContact CG2-CD1 4.43Å; I238-I242 WeakPolarHBondContact O-CA 3.28Å; I238-I242 WeakPolarHBondContact O-CB 3.44Å; I238-I242 PolarHBondContact O-N 2.95Å; I242-P245 HydrophobicContact CG2-CB 3.97Å; I242-L249 HydrophobicContact CD1-CD2 3.81Å; I242-F255 HydrophobicContact CD1-CE2 4Å
243	T	90.4	Very high	94.8	Very high	128 Å²	128	78.8 Å²	78.8	79%	0.785	39%	0.386	S	S	*	.	S	Bend	trans	-81	-32.6	-174.8	-48	0	0	0	0	113.5
244	N	91.4	Very high	94.5	Very high	128 Å²	128	83.8 Å²	83.8	68%	0.684	41%	0.413	S	S	*	.	S	Bend	trans	-142.1	79.6	-178	-66.9	-49.6	0	0	0	109.8	Q63	Q63-N244 PolarHBondContact NE2-O 3.39Å
245	P	92.2	Very high	94.5	Very high	68 Å²	68	83 Å²	83	44%	0.442	41%	0.41	S	S	.	.			trans	-65.9	141.4	178.8	28.4	-33.5	0	0	0	110.2	I238 I242 L249	I238-P245 HydrophobicContact CG2-CB 4.2Å; I238-P245 HydrophobicContact CG2-CG 4.37Å; I242-P245 HydrophobicContact CG2-CB 3.97Å; P245-L249 HydrophobicContact CB-CD2 3.65Å
246	I	93.3	Very high	94.5	Very high	84 Å²	84	81.3 Å²	81.3	43%	0.431	40%	0.4	S	S	.	.			trans	-64.3	159.7	167.4	60.5	175.2	0	0	0	110.3	Q63 D248 L249	Q63-I246 HydrophobicContact CG-CG2 4.45Å; Q63-I246 VanDerWaalsContact OE1-N 3.09Å; I246-D248 VanDerWaalsContact C-N 3.32Å; I246-D248 PolarHBondContact O-N 2.82Å; I246-L249 HydrophobicContact CD1-CD1 4.26Å; I246-L249 HydrophobicContact CG1-CB 3.72Å; I246-L249 HydrophobicContact CG1-CD1 3.93Å; I246-L249 HydrophobicContact CG1-CG 4.41Å; I246-L249 WeakPolarHBondContact O-CB 3.33Å; I246-L249 PolarHBondContact O-N 2.85Å
247	R	89.6	Confident	94.4	Very high	233 Å²	233	82.4 Å²	82.4	88%	0.879	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-43.4	-171.6	-173.2	-174.5	172.6	175.8	-4.8	112.8
248	D	91.9	Very high	94.3	Very high	88 Å²	88	82.5 Å²	82.5	47%	0.471	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	39.8	-172.1	-49.1	-44.9	0	0	0	109.8	I246 K250 E251 D252	I246-D248 VanDerWaalsContact C-N 3.32Å; I246-D248 PolarHBondContact O-N 2.82Å; D248-K250 PolarHBondContact O-N 2.83Å; D248-E251 WeakPolarHBondContact CA-OE2 3.08Å; D248-E251 VanDerWaalsContact CB-OE2 3.28Å; D248-E251 WeakPolarHBondContact CB-OE2 3.4Å; D248-E251 PolarHBondContact O-N 3.19Å; D248-D252 PolarHBondContact O-N 3.19Å
249	L	94.1	Very high	94.3	Very high	6 Å²	6	81.8 Å²	81.8	3%	0.031	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-62.4	-32.7	-174.6	178.7	63.8	0	0	0	112.2	Q63 I238 I242 P245 I246 E251 D252 F255	Q63-L249 HydrophobicContact CB-CD1 3.98Å; I238-L249 HydrophobicContact CG2-CD2 4.39Å; I242-L249 HydrophobicContact CD1-CD2 3.81Å; P245-L249 HydrophobicContact CB-CD2 3.65Å; I246-L249 HydrophobicContact CD1-CD1 4.26Å; I246-L249 HydrophobicContact CG1-CB 3.72Å; I246-L249 HydrophobicContact CG1-CD1 3.93Å; I246-L249 HydrophobicContact CG1-CG 4.41Å; I246-L249 WeakPolarHBondContact O-CB 3.33Å; I246-L249 PolarHBondContact O-N 2.85Å; L249-E251 VanDerWaalsContact C-N 3.27Å; L249-E251 PolarHBondContact O-N 3.34Å; L249-D252 WeakPolarHBondContact O-CB 3.23Å; L249-D252 PolarHBondContact O-N 3.34Å; L249-F255 HydrophobicContact CD1-CB 4Å; L249-F255 HydrophobicContact CD1-CD1 4.41Å; L249-F255 HydrophobicContact CD1-CD2 3.7Å; L249-F255 HydrophobicContact CD1-CE2 4.25Å; L249-F255 HydrophobicContact CD1-CG 3.77Å; L249-F255 HydrophobicContact CD2-CD2 4.3Å; L249-F255 HydrophobicContact CD2-CE2 4.01Å; L249-F255 HydrophobicContact CD2-CZ 4.2Å; L249-F255 HydrophobicContact CG-CD1 4.11Å; L249-F255 HydrophobicContact CG-CD2 3.94Å; L249-F255 HydrophobicContact CG-CE1 4.23Å; L249-F255 HydrophobicContact CG-CE2 4.07Å; L249-F255 HydrophobicContact CG-CG 3.94Å; L249-F255 HydrophobicContact CG-CZ 4.21Å; L249-F255 WeakPolarHBondContact O-CB 3.48Å; L249-F255 WeakPolarHBondContact O-CD1 3.43Å; L249-F255 WeakPolarHBondContact O-CG 3.3Å
250	K	95.3	Very high	94.4	Very high	94 Å²	94	75.9 Å²	75.9	41%	0.409	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-78.1	-15.6	-177.2	-65.3	-175.6	-178.3	179.8	0	112.6	L234 D235 I238 D248 I256	L234-K250 HydrophobicContact CD2-CD 4.17Å; L234-K250 HydrophobicContact CD2-CG 4.41Å; D235-K250 VanDerWaalsContact CG-NZ 3.29Å; D235-K250 WeakPolarHBondContact OD1-CE 3.47Å; D235-K250 IonicContact OD1-NZ 2.73Å; D235-K250 PolarHBondContact OD1-NZ 3.04Å; D235-K250 IonicContact OD2-NZ 3.53Å; D235-K250 PolarHBondContact OD2-NZ 2.88Å; I238-K250 HydrophobicContact CD1-CG 4.29Å; D248-K250 PolarHBondContact O-N 2.83Å; K250-I256 WeakPolarHBondContact O-CD1 3.43Å
251	E	94.3	Very high	94.5	Very high	132 Å²	132	71 Å²	71	62%	0.617	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-94.9	-7	173.3	-57.6	97.1	160.8	0	0	112.9	D248 L249 E253	D248-E251 WeakPolarHBondContact CA-OE2 3.08Å; D248-E251 VanDerWaalsContact CB-OE2 3.28Å; D248-E251 WeakPolarHBondContact CB-OE2 3.4Å; D248-E251 PolarHBondContact O-N 3.19Å; L249-E251 VanDerWaalsContact C-N 3.27Å; L249-E251 PolarHBondContact O-N 3.34Å; E251-E253 PolarHBondContact O-N 3.49Å
252	D	94.8	Very high	94.6	Very high	50 Å²	50	69.8 Å²	69.8	27%	0.267	34%	0.344	S	S	.	.			trans	-70	115.1	177.1	-178.3	-121.6	0	0	0	110.3	R64 D248 L249 D254 F255 I256	R64-D252 IonicContact CZ-OD1 2.9Å; R64-D252 IonicContact NH1-OD1 3.23Å; R64-D252 PolarHBondContact NH1-OD1 3.24Å; R64-D252 IonicContact NH2-OD1 3.9Å; R64-D252 PolarHBondContact NH2-OD1 2.94Å; R64-D252 VanDerWaalsContact NH2-OD1 3.15Å; D248-D252 PolarHBondContact O-N 3.19Å; L249-D252 WeakPolarHBondContact O-CB 3.23Å; L249-D252 PolarHBondContact O-N 3.34Å; D252-D254 VanDerWaalsContact C-N 3.31Å; D252-D254 PolarHBondContact O-N 2.91Å; D252-F255 HydrophobicContact CB-CB 3.83Å; D252-F255 WeakPolarHBondContact O-CA 3.45Å; D252-F255 WeakPolarHBondContact O-CB 3.29Å; D252-F255 PolarHBondContact O-N 2.97Å; D252-F255 WeakPolarHBondContact OD1-CB 3.38Å; D252-F255 PolarHBondContact OD1-N 3.42Å; D252-F255 VanDerWaalsContact OD1-N 3.07Å; D252-I256 WeakPolarHBondContact O-CG1 3.19Å; D252-I256 PolarHBondContact O-N 3.49Å
253	E	93.5	Very high	94.6	Very high	162 Å²	162	69.5 Å²	69.5	76%	0.757	34%	0.343	S	S	*	.	H	α-helix	trans	-56.1	-44.9	-177.2	-69.5	179.1	176.4	0	0	112.2	E251 F255 I256 E257	E251-E253 PolarHBondContact O-N 3.49Å; E253-F255 VanDerWaalsContact C-N 3.26Å; E253-F255 PolarHBondContact O-N 3.26Å; E253-I256 PolarHBondContact O-N 2.92Å; E253-E257 WeakPolarHBondContact O-CB 3.49Å; E253-E257 PolarHBondContact O-N 3.31Å
254	D	93.4	Very high	95	Very high	108 Å²	108	63.4 Å²	63.4	58%	0.578	31%	0.306	S	S	*	.	H	α-helix	trans	-65.1	-28.7	177.5	-69.9	-16.7	0	0	0	112.6	R64 D252 S258	R64-D254 PolarHBondContact NE-O 3.46Å; R64-D254 IonicContact NH2-OD2 2.73Å; D252-D254 VanDerWaalsContact C-N 3.31Å; D252-D254 PolarHBondContact O-N 2.91Å; D254-S258 WeakPolarHBondContact O-CB 3.4Å; D254-S258 PolarHBondContact O-N 3.06Å; D254-S258 VanDerWaalsContact O-N 3.14Å; D254-S258 PolarHBondContact O-OG 2.58Å
255	F	96.9	Very high	95.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-71.9	-48.2	173.3	175.6	-105	0	0	0	110.3	Q63 I65 L234 I238 I242 L249 D252 E253 E257 S258 N259	Q63-F255 VanDerWaalsContact O-CD2 3.29Å; Q63-F255 WeakPolarHBondContact O-CD2 3.37Å; I65-F255 HydrophobicContact CD1-CE2 4.23Å; I65-F255 HydrophobicContact CD1-CZ 4.12Å; I65-F255 HydrophobicContact CG1-CE2 4.3Å; L234-F255 HydrophobicContact CD1-CE1 4.33Å; L234-F255 HydrophobicContact CD1-CZ 4.2Å; I238-F255 HydrophobicContact CD1-CE1 4.33Å; I238-F255 HydrophobicContact CD1-CZ 3.91Å; I238-F255 HydrophobicContact CG1-CZ 3.91Å; I242-F255 HydrophobicContact CD1-CE2 4Å; L249-F255 HydrophobicContact CD1-CB 4Å; L249-F255 HydrophobicContact CD1-CD1 4.41Å; L249-F255 HydrophobicContact CD1-CD2 3.7Å; L249-F255 HydrophobicContact CD1-CE2 4.25Å; L249-F255 HydrophobicContact CD1-CG 3.77Å; L249-F255 HydrophobicContact CD2-CD2 4.3Å; L249-F255 HydrophobicContact CD2-CE2 4.01Å; L249-F255 HydrophobicContact CD2-CZ 4.2Å; L249-F255 HydrophobicContact CG-CD1 4.11Å; L249-F255 HydrophobicContact CG-CD2 3.94Å; L249-F255 HydrophobicContact CG-CE1 4.23Å; L249-F255 HydrophobicContact CG-CE2 4.07Å; L249-F255 HydrophobicContact CG-CG 3.94Å; L249-F255 HydrophobicContact CG-CZ 4.21Å; L249-F255 WeakPolarHBondContact O-CB 3.48Å; L249-F255 WeakPolarHBondContact O-CD1 3.43Å; L249-F255 WeakPolarHBondContact O-CG 3.3Å; D252-F255 HydrophobicContact CB-CB 3.83Å; D252-F255 WeakPolarHBondContact O-CA 3.45Å; D252-F255 WeakPolarHBondContact O-CB 3.29Å; D252-F255 PolarHBondContact O-N 2.97Å; D252-F255 WeakPolarHBondContact OD1-CB 3.38Å; D252-F255 PolarHBondContact OD1-N 3.42Å; D252-F255 VanDerWaalsContact OD1-N 3.07Å; E253-F255 VanDerWaalsContact C-N 3.26Å; E253-F255 PolarHBondContact O-N 3.26Å; F255-E257 VanDerWaalsContact C-N 3.29Å; F255-E257 PolarHBondContact O-N 2.82Å; F255-S258 PolarHBondContact O-N 2.87Å; F255-S258 PolarHBondContact O-OG 3.08Å; F255-N259 WeakPolarHBondContact CE1-ND2 3.49Å; F255-N259 WeakPolarHBondContact CZ-ND2 3.44Å; F255-N259 VanDerWaalsContact O-CG 3.23Å; F255-N259 PolarHBondContact O-N 3.47Å; F255-N259 PolarHBondContact O-ND2 2.67Å; F255-N259 VanDerWaalsContact O-ND2 3.09Å
256	I	96.6	Very high	95.6	Very high	51 Å²	51	54.1 Å²	54.1	26%	0.262	25%	0.253	S	S	.	.	H	α-helix	trans	-55.3	-49.9	177.3	-66.9	168.7	0	0	0	109.3	N229 K250 D252 E253 S258 N259	N229-I256 PolarHBondContact ND2-O 2.74Å; K250-I256 WeakPolarHBondContact O-CD1 3.43Å; D252-I256 WeakPolarHBondContact O-CG1 3.19Å; D252-I256 PolarHBondContact O-N 3.49Å; E253-I256 PolarHBondContact O-N 2.92Å; I256-S258 PolarHBondContact O-N 2.92Å; I256-N259 PolarHBondContact O-N 2.85Å; I256-N259 VanDerWaalsContact O-N 3.15Å
257	E	95.5	Very high	95.8	Very high	65 Å²	65	51.6 Å²	51.6	30%	0.304	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-42.9	-178.8	-169.8	53.1	-141.4	0	0	112.1	F57 E253 F255 N259 K260 H262	F57-E257 HydrophobicContact CE1-CG 4.43Å; F57-E257 WeakPolarHBondContact CE1-O 3.1Å; E253-E257 WeakPolarHBondContact O-CB 3.49Å; E253-E257 PolarHBondContact O-N 3.31Å; F255-E257 VanDerWaalsContact C-N 3.29Å; F255-E257 PolarHBondContact O-N 2.82Å; E257-N259 PolarHBondContact O-N 2.98Å; E257-K260 PolarHBondContact O-N 3Å; E257-K260 WeakPolarHBondContact OE2-CD 3.48Å; E257-K260 WeakPolarHBondContact OE2-CE 3.23Å; E257-K260 IonicContact OE2-NZ 3.73Å; E257-K260 PolarHBondContact OE2-NZ 3.17Å; E257-H262 IonicContact OE1-CE1 3.71Å
258	S	97.1	Very high	96.2	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-60.8	-17.8	177.5	73.8	0	0	0	0	114.8	V56 R64 D254 F255 I256	V56-S258 VanDerWaalsContact O-CB 3.31Å; V56-S258 WeakPolarHBondContact O-CB 3.48Å; R64-S258 WeakPolarHBondContact CD-OG 3.21Å; D254-S258 WeakPolarHBondContact O-CB 3.4Å; D254-S258 PolarHBondContact O-N 3.06Å; D254-S258 VanDerWaalsContact O-N 3.14Å; D254-S258 PolarHBondContact O-OG 2.58Å; F255-S258 PolarHBondContact O-N 2.87Å; F255-S258 PolarHBondContact O-OG 3.08Å; I256-S258 PolarHBondContact O-N 2.92Å
259	N	98	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	0.1	-179.6	-61	-27.8	0	0	0	112.8	Y69 E228 N229 F255 I256 E257 M261	Y69-N259 PolarHBondContact OH-OD1 2.84Å; E228-N259 HydrophobicContact CB-CB 4.25Å; E228-N259 PolarHBondContact N-O 2.81Å; N229-N259 WeakPolarHBondContact OD1-CB 3.41Å; N229-N259 PolarHBondContact OD1-ND2 3.41Å; F255-N259 WeakPolarHBondContact CE1-ND2 3.49Å; F255-N259 WeakPolarHBondContact CZ-ND2 3.44Å; F255-N259 VanDerWaalsContact O-CG 3.23Å; F255-N259 PolarHBondContact O-N 3.47Å; F255-N259 PolarHBondContact O-ND2 2.67Å; F255-N259 VanDerWaalsContact O-ND2 3.09Å; I256-N259 PolarHBondContact O-N 2.85Å; I256-N259 VanDerWaalsContact O-N 3.15Å; E257-N259 PolarHBondContact O-N 2.98Å; N259-M261 PolarHBondContact O-N 2.73Å
260	K	97.4	Very high	96.5	Very high	51 Å²	51	36.5 Å²	36.5	22%	0.222	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	99.3	173	-66.4	-174.3	-165.1	156	0	110.3	F57 V225 E257 H262	F57-K260 WeakPolarHBondContact CD1-O 3.44Å; V225-K260 HydrophobicContact CG1-CB 3.84Å; V225-K260 HydrophobicContact CG1-CG 4.5Å; E257-K260 PolarHBondContact O-N 3Å; E257-K260 WeakPolarHBondContact OE2-CD 3.48Å; E257-K260 WeakPolarHBondContact OE2-CE 3.23Å; E257-K260 IonicContact OE2-NZ 3.73Å; E257-K260 PolarHBondContact OE2-NZ 3.17Å; K260-H262 PolarHBondContact O-N 3.19Å; K260-H262 PolarHBondContact O-ND1 3.44Å
261	M	97.6	Very high	96.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	98.5	-171.8	-48.6	-59.2	-72.7	0	0	111.1	Y35 F57 L58 Y69 S226 E228 N259 G263 L268	Y35-M261 HydrophobicContact CD1-CB 3.73Å; Y35-M261 HydrophobicContact CD1-CE 4.25Å; Y35-M261 HydrophobicContact CD1-CG 4.19Å; Y35-M261 HydrophobicContact CD2-CB 4.44Å; Y35-M261 HydrophobicContact CD2-CE 3.63Å; Y35-M261 HydrophobicContact CD2-CG 3.99Å; Y35-M261 HydrophobicContact CE1-CB 3.51Å; Y35-M261 HydrophobicContact CE1-CG 3.96Å; Y35-M261 HydrophobicContact CE2-CB 4.23Å; Y35-M261 HydrophobicContact CE2-CE 4.33Å; Y35-M261 HydrophobicContact CE2-CG 3.72Å; Y35-M261 HydrophobicContact CG-CB 4.21Å; Y35-M261 HydrophobicContact CG-CE 3.59Å; Y35-M261 HydrophobicContact CG-CG 4.22Å; F57-M261 HydrophobicContact CB-SD 4.47Å; L58-M261 HydrophobicContact CD2-CE 3.56Å; Y69-M261 HydrophobicContact CE2-CE 4.29Å; Y69-M261 HydrophobicContact CE2-CG 4.48Å; Y69-M261 HydrophobicContact CE2-SD 4.16Å; S226-M261 PolarHBondContact N-O 2.88Å; S226-M261 PolarHBondContact O-N 3.39Å; E228-M261 HydrophobicContact CG-CG 4.34Å; N259-M261 PolarHBondContact O-N 2.73Å; M261-G263 PolarHBondContact O-N 3.03Å; M261-L268 HydrophobicContact CB-CD1 4.06Å; M261-L268 HydrophobicContact CE-CD2 4.01Å
262	H	97.4	Very high	96.8	Very high	8 Å²	8	26.6 Å²	26.6	4%	0.037	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	79	-177.2	-62.8	80.3	0	0	0	112.3	V225 E257 K260 L268 H345 A348 G349 M350	V225-H262 WeakPolarHBondContact CG2-CD2 3.35Å; E257-H262 IonicContact OE1-CE1 3.71Å; K260-H262 PolarHBondContact O-N 3.19Å; K260-H262 PolarHBondContact O-ND1 3.44Å; H262-L268 WeakPolarHBondContact O-CG 3.45Å; H262-H345 AromaticContact CD2-CD2 3.52Å; H262-H345 AromaticContact NE2-CD2 3.95Å; H262-A348 HydrophobicContact CB-CB 3.76Å; H262-A348 VanDerWaalsContact CG-CB 3.43Å; H262-A348 WeakPolarHBondContact ND1-CB 3.14Å; H262-G349 CarbonylContact O-C 3.51Å; H262-M350 HydrophobicContact CB-CB 4.35Å; H262-M350 HydrophobicContact CB-CE 3.95Å; H262-M350 VanDerWaalsContact O-CA 3.26Å; H262-M350 WeakPolarHBondContact O-CA 3.44Å; H262-M350 WeakPolarHBondContact O-CB 3.47Å; H262-M350 PolarHBondContact O-N 2.74Å
263	G	96.4	Very high	96.9	Very high	2 Å²	2	26.3 Å²	26.3	2%	0.021	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	161.5	-166.2	0	0	0	0	0	116.1	M224 M261 Y267	M224-G263 PolarHBondContact N-O 3.01Å; M224-G263 PolarHBondContact O-N 3.25Å; M261-G263 PolarHBondContact O-N 3.03Å; G263-Y267 VanDerWaalsContact CA-O 3.25Å; G263-Y267 WeakPolarHBondContact CA-O 3.48Å
264	I	98.6	Very high	96.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118.1	165.3	-52.3	174.4	0	0	0	107.7	L221 L222 F223 G266 Y267 L272 L338 M350 A352	L221-I264 HydrophobicContact CB-CG2 4.22Å; L221-I264 HydrophobicContact CD2-CG2 4.2Å; L222-I264 WeakPolarHBondContact O-CA 3.37Å; F223-I264 HydrophobicContact CD1-CD1 4.35Å; F223-I264 HydrophobicContact CD1-CG1 3.99Å; F223-I264 HydrophobicContact CE1-CD1 3.55Å; F223-I264 HydrophobicContact CE1-CG1 3.68Å; F223-I264 HydrophobicContact CE2-CG2 4.36Å; F223-I264 HydrophobicContact CZ-CD1 3.92Å; F223-I264 HydrophobicContact CZ-CG1 4.18Å; F223-I264 HydrophobicContact CZ-CG2 4.2Å; I264-G266 PolarHBondContact O-N 3.19Å; I264-G266 VanDerWaalsContact O-N 3.08Å; I264-Y267 PolarHBondContact N-O 2.94Å; I264-Y267 PolarHBondContact O-N 2.76Å; I264-L272 HydrophobicContact CB-CD2 4.13Å; I264-L272 HydrophobicContact CG2-CD2 3.71Å; I264-L338 HydrophobicContact CD1-CD2 4.43Å; I264-L338 HydrophobicContact CD1-CG 4.38Å; I264-M350 HydrophobicContact CG1-CG 3.94Å; I264-A352 HydrophobicContact CD1-CB 3.87Å
265	N	98.4	Very high	97	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	26.2	-171.9	-67.9	-9.8	0	0	0	114.1	W91 G93 Y94 L95 A220 L221 L222 L272	W91-N265 PolarHBondContact O-ND2 3.14Å; G93-N265 WeakPolarHBondContact CA-O 2.77Å; Y94-N265 PolarHBondContact N-O 3.33Å; L95-N265 WeakPolarHBondContact CD1-OD1 3.17Å; A220-N265 PolarHBondContact O-ND2 3.34Å; L221-N265 WeakPolarHBondContact CA-OD1 3.14Å; L222-N265 WeakPolarHBondContact CB-OD1 3.49Å; L222-N265 PolarHBondContact N-OD1 3.04Å; L222-N265 PolarHBondContact O-N 3.25Å; N265-L272 HydrophobicContact CB-CD1 4.2Å
266	G	97.4	Very high	96.9	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.01	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	19.7	-176.8	0	0	0	0	0	115.7	W33 Y35 I264	W33-G266 WeakPolarHBondContact CZ2-O 3.49Å; W33-G266 PolarHBondContact NE1-O 3.1Å; Y35-G266 WeakPolarHBondContact CD1-O 3.18Å; I264-G266 PolarHBondContact O-N 3.19Å; I264-G266 VanDerWaalsContact O-N 3.08Å
267	Y	98.6	Very high	96.8	Very high	30 Å²	30	15.1 Å²	15.1	12%	0.118	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-118.5	139.4	173.1	-66.1	-71.6	0	0	0	112	W33 Y35 P37 G263 I264 N271 L272	W33-Y267 HydrophobicContact CH2-CD2 4.45Å; W33-Y267 AromaticContact CH2-CE1 3.74Å; W33-Y267 HydrophobicContact CH2-CE1 3.74Å; W33-Y267 AromaticContact CH2-CE2 3.7Å; W33-Y267 HydrophobicContact CH2-CE2 3.7Å; W33-Y267 AromaticContact CH2-CZ 3.29Å; W33-Y267 VanDerWaalsContact CH2-OH 3.28Å; W33-Y267 WeakPolarHBondContact CH2-OH 3.21Å; W33-Y267 HydrophobicContact CZ2-CD1 4.05Å; W33-Y267 HydrophobicContact CZ2-CD2 4.17Å; W33-Y267 AromaticContact CZ2-CE1 3.66Å; W33-Y267 HydrophobicContact CZ2-CE1 3.66Å; W33-Y267 AromaticContact CZ2-CE2 3.87Å; W33-Y267 HydrophobicContact CZ2-CE2 3.87Å; W33-Y267 HydrophobicContact CZ2-CG 4.31Å; W33-Y267 AromaticContact CZ2-CZ 3.61Å; Y35-Y267 WeakPolarHBondContact O-CA 3Å; P37-Y267 HydrophobicContact CG-CD1 4.26Å; P37-Y267 HydrophobicContact CG-CE1 3.84Å; G263-Y267 VanDerWaalsContact CA-O 3.25Å; G263-Y267 WeakPolarHBondContact CA-O 3.48Å; I264-Y267 PolarHBondContact N-O 2.94Å; I264-Y267 PolarHBondContact O-N 2.76Å; Y267-N271 HydrophobicContact CD1-CB 4.14Å; Y267-L272 HydrophobicContact CD2-CB 4.16Å; Y267-L272 HydrophobicContact CD2-CD1 3.59Å; Y267-L272 HydrophobicContact CD2-CG 4.49Å; Y267-L272 HydrophobicContact CE2-CD1 4.03Å; Y267-L272 HydrophobicContact CG-CB 4.41Å
268	L	97.7	Very high	96.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.082	C	C	.	.			trans	-111.2	159.9	179.9	-82.2	66.6	0	0	0	111.2	Y35 F57 L58 M261 H262 G270 N271 G349	Y35-L268 HydrophobicContact CD1-CD1 3.68Å; Y35-L268 HydrophobicContact CG-CD1 4.28Å; Y35-L268 PolarHBondContact O-N 3.2Å; F57-L268 HydrophobicContact CB-CD2 4.46Å; L58-L268 HydrophobicContact CD1-CB 4.34Å; L58-L268 HydrophobicContact CD2-CD2 4.36Å; M261-L268 HydrophobicContact CB-CD1 4.06Å; M261-L268 HydrophobicContact CE-CD2 4.01Å; H262-L268 WeakPolarHBondContact O-CG 3.45Å; L268-G270 VanDerWaalsContact C-N 3.32Å; L268-G270 PolarHBondContact O-N 2.85Å; L268-N271 VanDerWaalsContact O-CB 3.27Å; L268-N271 WeakPolarHBondContact O-CB 3.47Å; L268-N271 PolarHBondContact O-N 3.45Å; L268-N271 VanDerWaalsContact O-N 3.08Å; L268-N271 PolarHBondContact O-ND2 2.88Å; L268-G349 CarbonylContact C-O 3.37Å
269	Y	96.7	Very high	96.4	Very high	3 Å²	3	14.5 Å²	14.5	1%	0.012	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	45.8	170.3	-59.5	-79.5	0	0	0	114.6	N41 V42 E53 A54 F57 L58 N271 T347 A348 G349	N41-Y269 HydrophobicContact CB-CD1 4.42Å; N41-Y269 HydrophobicContact CB-CG 4.42Å; V42-Y269 PolarHBondContact N-O 3.13Å; E53-Y269 PolarHBondContact O-OH 3.48Å; A54-Y269 VanDerWaalsContact CA-CZ 3.5Å; A54-Y269 WeakPolarHBondContact CA-OH 3.5Å; A54-Y269 HydrophobicContact CB-CD1 4.28Å; A54-Y269 HydrophobicContact CB-CD2 3.96Å; A54-Y269 HydrophobicContact CB-CE1 3.98Å; A54-Y269 HydrophobicContact CB-CE2 3.64Å; A54-Y269 HydrophobicContact CB-CG 4.28Å; A54-Y269 PolarHBondContact N-OH 3.06Å; F57-Y269 WeakPolarHBondContact CD2-OH 3.41Å; L58-Y269 HydrophobicContact CD1-CD2 3.44Å; L58-Y269 VanDerWaalsContact CD1-CD2 3.44Å; L58-Y269 HydrophobicContact CD1-CE2 3.76Å; L58-Y269 HydrophobicContact CG-CE2 4.5Å; Y269-N271 PolarHBondContact O-N 2.66Å; Y269-N271 PolarHBondContact O-ND2 3.06Å; Y269-T347 WeakPolarHBondContact CE1-O 3.24Å; Y269-T347 PolarHBondContact OH-O 3.22Å; Y269-A348 VanDerWaalsContact OH-C 3.27Å; Y269-A348 PolarHBondContact OH-O 3.32Å; Y269-G349 VanDerWaalsContact CD1-CA 3.46Å; Y269-G349 PolarHBondContact N-O 2.97Å
270	G	95.6	Very high	96	Very high	7 Å²	7	15.7 Å²	15.7	7%	0.072	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	12.6	175.9	0	0	0	0	0	115.4	L268 L272 Q351	L268-G270 VanDerWaalsContact C-N 3.32Å; L268-G270 PolarHBondContact O-N 2.85Å; G270-L272 VanDerWaalsContact C-N 3.32Å; G270-L272 PolarHBondContact O-N 3.34Å; G270-Q351 VanDerWaalsContact CA-O 3.31Å; G270-Q351 WeakPolarHBondContact CA-O 3.48Å; G270-Q351 PolarHBondContact N-O 2.9Å
271	N	97.2	Very high	95.7	Very high	9 Å²	9	15.3 Å²	15.3	5%	0.048	10%	0.102	C	C	.	.			trans	-79.4	-7	-177.7	-78.9	-96.4	0	0	0	114.7	T38 K40 Y267 L268 Y269 P273	T38-N271 VanDerWaalsContact CB-OD1 3.31Å; T38-N271 WeakPolarHBondContact CB-OD1 3.19Å; T38-N271 VanDerWaalsContact CG2-OD1 3.27Å; T38-N271 WeakPolarHBondContact CG2-OD1 3.35Å; T38-N271 PolarHBondContact N-OD1 3.39Å; T38-N271 VanDerWaalsContact N-OD1 3.12Å; T38-N271 PolarHBondContact OG1-OD1 3.46Å; K40-N271 PolarHBondContact O-ND2 2.63Å; K40-N271 VanDerWaalsContact O-ND2 3.1Å; Y267-N271 HydrophobicContact CD1-CB 4.14Å; L268-N271 VanDerWaalsContact O-CB 3.27Å; L268-N271 WeakPolarHBondContact O-CB 3.47Å; L268-N271 PolarHBondContact O-N 3.45Å; L268-N271 VanDerWaalsContact O-N 3.08Å; L268-N271 PolarHBondContact O-ND2 2.88Å; Y269-N271 PolarHBondContact O-N 2.66Å; Y269-N271 PolarHBondContact O-ND2 3.06Å; N271-P273 VanDerWaalsContact O-CD 3.22Å; N271-P273 WeakPolarHBondContact O-CD 3.2Å
272	L	97.9	Very high	95.5	Very high	9 Å²	9	20.6 Å²	20.6	5%	0.047	13%	0.125	C	C	.	.			trans	-67.3	115.3	178.9	176.4	61.5	0	0	0	111.1	W91 L221 I264 N265 Y267 G270 L275 A352	W91-L272 WeakPolarHBondContact O-CD1 3.28Å; L221-L272 HydrophobicContact CD2-CD2 4.14Å; I264-L272 HydrophobicContact CB-CD2 4.13Å; I264-L272 HydrophobicContact CG2-CD2 3.71Å; N265-L272 HydrophobicContact CB-CD1 4.2Å; Y267-L272 HydrophobicContact CD2-CB 4.16Å; Y267-L272 HydrophobicContact CD2-CD1 3.59Å; Y267-L272 HydrophobicContact CD2-CG 4.49Å; Y267-L272 HydrophobicContact CE2-CD1 4.03Å; Y267-L272 HydrophobicContact CG-CB 4.41Å; G270-L272 VanDerWaalsContact C-N 3.32Å; G270-L272 PolarHBondContact O-N 3.34Å; L272-L275 HydrophobicContact CD2-CD1 3.67Å; L272-L275 HydrophobicContact CD2-CG 4.32Å; L272-L275 HydrophobicContact CG-CD1 4.2Å; L272-L275 HydrophobicContact CG-CG 4.43Å; L272-A352 HydrophobicContact CB-CB 3.99Å; L272-A352 HydrophobicContact CD2-CB 3.84Å; L272-A352 HydrophobicContact CG-CB 4.43Å
273	P	96.1	Very high	95.4	Very high	44 Å²	44	20.3 Å²	20.3	29%	0.286	12%	0.123	S	C	.	.			trans	-91.4	171.7	-179	37.2	-35.6	0	0	0	112.5	E90 W91 N271 L275	E90-P273 HydrophobicContact CB-CG 3.97Å; W91-P273 VanDerWaalsContact CA-O 3.31Å; W91-P273 WeakPolarHBondContact CA-O 3.19Å; W91-P273 WeakPolarHBondContact CB-O 3.07Å; N271-P273 VanDerWaalsContact O-CD 3.22Å; N271-P273 WeakPolarHBondContact O-CD 3.2Å; P273-L275 PolarHBondContact O-N 3.21Å
274	G	94.3	Very high	95.4	Very high	38 Å²	38	20.4 Å²	20.4	39%	0.392	12%	0.124	S	C	.	.			trans	81.1	6.4	162.1	0	0	0	0	0	116.5	S276	G274-S276 PolarHBondContact O-N 3.12Å
275	L	96.2	Very high	95.4	Very high	10 Å²	10	20.6 Å²	20.6	5%	0.052	12%	0.124	C	C	.	.			trans	-87.5	93	173.3	-61	-176.1	0	0	0	110.6	W91 Y219 L221 L272 P273 W285 L338 F354 E355	W91-L275 HydrophobicContact CB-CD2 3.78Å; W91-L275 HydrophobicContact CB-CG 4.46Å; W91-L275 HydrophobicContact CG-CD2 4.32Å; Y219-L275 HydrophobicContact CD1-CD2 3.51Å; Y219-L275 HydrophobicContact CE1-CD2 3.79Å; Y219-L275 HydrophobicContact CG-CD2 3.94Å; L221-L275 HydrophobicContact CD2-CD2 4.33Å; L272-L275 HydrophobicContact CD2-CD1 3.67Å; L272-L275 HydrophobicContact CD2-CG 4.32Å; L272-L275 HydrophobicContact CG-CD1 4.2Å; L272-L275 HydrophobicContact CG-CG 4.43Å; P273-L275 PolarHBondContact O-N 3.21Å; L275-W285 HydrophobicContact CD2-CZ3 4.27Å; L275-L338 HydrophobicContact CD1-CD2 4.41Å; L275-F354 HydrophobicContact CB-CB 3.71Å; L275-F354 HydrophobicContact CD1-CB 4.28Å; L275-F354 WeakPolarHBondContact O-CA 2.9Å; L275-E355 PolarHBondContact O-N 2.69Å
276	S	95	Very high	95.4	Very high	34 Å²	34	20.6 Å²	20.6	24%	0.238	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	138.1	173.4	75.4	0	0	0	0	112.9	Y219 G274 E355 K357	Y219-S276 PolarHBondContact OH-N 2.81Å; Y219-S276 PolarHBondContact OH-O 3.37Å; G274-S276 PolarHBondContact O-N 3.12Å; S276-E355 CarbonylContact C-O 3.44Å; S276-E355 VanDerWaalsContact CA-O 3.24Å; S276-E355 WeakPolarHBondContact CA-O 3.21Å; S276-K357 PolarHBondContact OG-NZ 3.12Å
277	A	93.8	Very high	95.4	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.033	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	160.4	180	0	0	0	0	0	111.3	Y217 I283 E355 I356 K357	Y217-A277 HydrophobicContact CD2-CB 3.96Å; Y217-A277 HydrophobicContact CE2-CB 4.11Å; Y217-A277 HydrophobicContact CG-CB 4.23Å; A277-I283 HydrophobicContact CB-CD1 3.48Å; A277-I283 VanDerWaalsContact CB-CD1 3.48Å; A277-I283 HydrophobicContact CB-CG1 3.93Å; A277-E355 PolarHBondContact N-O 2.83Å; A277-I356 CarbonylContact O-C 3.58Å; A277-I356 WeakPolarHBondContact O-CA 3.25Å; A277-K357 PolarHBondContact O-N 3.33Å
278	C	92.9	Very high	95.4	Very high	18 Å²	18	19.1 Å²	19.1	12%	0.122	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	139.7	178.7	-72.6	0	0	0	0	111.2	Y217 G280 N281 A330 C359	Y217-C278 HydrophobicContact CE2-CB 4.5Å; Y217-C278 PolarHBondContact OH-SG 2.99Å; Y217-C278 VanDerWaalsContact OH-SG 3.42Å; C278-G280 PolarHBondContact O-N 2.8Å; C278-N281 WeakPolarHBondContact CB-OD1 3.41Å; C278-N281 WeakPolarHBondContact O-CB 3.48Å; C278-N281 PolarHBondContact O-N 2.92Å; C278-N281 VanDerWaalsContact O-N 3.12Å; C278-A330 WeakPolarHBondContact O-CB 3.49Å; C278-C359 VanDerWaalsContact CA-SG 3.53Å; C278-C359 HydrophobicContact CB-CB 3.48Å; C278-C359 VanDerWaalsContact CB-CB 3.48Å; C278-C359 WeakPolarHBondContact CB-SG 3.16Å; C278-C359 WeakPolarHBondContact SG-CB 3.44Å; C278-C359 CovalentContact SG-SG 2.01Å; C278-C359 PolarHBondContact SG-SG 3.3Å
279	Q	91.1	Very high	95.4	Very high	37 Å²	37	19.1 Å²	19.1	17%	0.173	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	133.7	174.9	-175.4	-178.9	21.7	0	0	111	N281 D331 P333 I356 K357	Q279-N281 VanDerWaalsContact C-N 3.3Å; Q279-D331 PolarHBondContact NE2-OD1 3.34Å; Q279-P333 HydrophobicContact CB-CG 4.33Å; Q279-P333 HydrophobicContact CG-CG 4.38Å; Q279-I356 HydrophobicContact CB-CG2 4.17Å; Q279-K357 PolarHBondContact N-O 2.83Å
280	G	89.2	Confident	95.4	Very high	24 Å²	24	19.2 Å²	19.2	25%	0.247	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	-13.1	-179.7	0	0	0	0	0	114.4	C278 A330	C278-G280 PolarHBondContact O-N 2.8Å; G280-A330 PolarHBondContact N-O 2.81Å
281	N	92.2	Very high	95.3	Very high	44 Å²	44	19 Å²	19	24%	0.235	12%	0.117	C	C	.	.			trans	-79.4	152.6	176.5	-77.7	140.5	0	0	0	112.8	D216 Y217 C278 Q279 V329 A330	D216-N281 HydrophobicContact CB-CB 3.74Å; D216-N281 PolarHBondContact OD1-ND2 3Å; D216-N281 WeakPolarHBondContact OD2-CA 3.3Å; D216-N281 VanDerWaalsContact OD2-CB 3.25Å; D216-N281 WeakPolarHBondContact OD2-CB 3.45Å; D216-N281 PolarHBondContact OD2-ND2 3.29Å; Y217-N281 HydrophobicContact CD2-CB 4.05Å; Y217-N281 HydrophobicContact CE2-CB 3.79Å; C278-N281 WeakPolarHBondContact CB-OD1 3.41Å; C278-N281 WeakPolarHBondContact O-CB 3.48Å; C278-N281 PolarHBondContact O-N 2.92Å; C278-N281 VanDerWaalsContact O-N 3.12Å; Q279-N281 VanDerWaalsContact C-N 3.3Å; N281-V329 WeakPolarHBondContact O-CA 3.45Å; N281-A330 PolarHBondContact O-N 2.92Å
282	K	93.8	Very high	95.2	Very high	111 Å²	111	20.3 Å²	20.3	48%	0.483	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133.8	175	-67	-174.4	176.7	-171.1	0	110.6	D216 Y217 M328 V329	D216-K282 WeakPolarHBondContact CB-O 3.36Å; D216-K282 PolarHBondContact N-O 3.48Å; D216-K282 PolarHBondContact OD2-N 3.33Å; Y217-K282 PolarHBondContact N-O 2.91Å; Y217-K282 VanDerWaalsContact N-O 3.12Å; K282-M328 CarbonylContact C-O 3.55Å; K282-M328 WeakPolarHBondContact CA-O 3.36Å; K282-V329 HydrophobicContact CG-CG2 4.3Å
283	I	95.1	Very high	95	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.5	178.8	-56.7	156.2	0	0	0	107.8	Y217 Y219 A277 W285 M328 A330	Y217-I283 HydrophobicContact CD2-CG1 4.35Å; Y217-I283 WeakPolarHBondContact O-CA 3.14Å; Y219-I283 HydrophobicContact CD2-CG2 3.63Å; Y219-I283 HydrophobicContact CE2-CG2 4.01Å; A277-I283 HydrophobicContact CB-CD1 3.48Å; A277-I283 VanDerWaalsContact CB-CD1 3.48Å; A277-I283 HydrophobicContact CB-CG1 3.93Å; I283-W285 HydrophobicContact CG2-CD2 4Å; I283-W285 HydrophobicContact CG2-CG 4.26Å; I283-W285 HydrophobicContact CG2-CZ2 3.92Å; I283-M328 HydrophobicContact CB-CB 4.37Å; I283-M328 HydrophobicContact CD1-CE 3.29Å; I283-M328 HydrophobicContact CG1-CE 4.49Å; I283-M328 PolarHBondContact N-O 2.69Å; I283-M328 PolarHBondContact O-N 2.68Å; I283-A330 HydrophobicContact CD1-CB 3.72Å
284	H	96.4	Very high	94.8	Very high	5 Å²	5	22.1 Å²	22.1	2%	0.023	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.7	167.9	-70.2	-176.9	0	0	0	108.9	D212 A215 Y217 Y219	D212-H284 IonicContact OD2-CE1 3.31Å; D212-H284 PolarHBondContact OD2-CE1 2.72Å; D212-H284 IonicContact OD2-CG 2.73Å; D212-H284 IonicContact OD2-ND1 2.58Å; D212-H284 PolarHBondContact OD2-ND1 3.31Å; A215-H284 HydrophobicContact CB-CB 4Å; Y217-H284 PolarHBondContact O-N 3.23Å; Y219-H284 PolarHBondContact N-O 3.18Å
285	W	97.6	Very high	94.9	Very high	3 Å²	3	20.4 Å²	20.4	1%	0.011	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111	175.5	-61.6	101.1	0	0	0	108.9	Y219 L221 L275 I283 L287 F301 T325 A326 M328	Y219-W285 HydrophobicContact CD2-CE3 4.12Å; Y219-W285 AromaticContact CD2-CH2 3.84Å; Y219-W285 HydrophobicContact CD2-CH2 3.84Å; Y219-W285 HydrophobicContact CD2-CZ2 4.31Å; Y219-W285 AromaticContact CD2-CZ3 3.72Å; Y219-W285 HydrophobicContact CD2-CZ3 3.72Å; Y219-W285 HydrophobicContact CE2-CH2 4.39Å; Y219-W285 HydrophobicContact CG-CE3 4.24Å; Y219-W285 HydrophobicContact CG-CH2 4.42Å; Y219-W285 AromaticContact CG-CZ3 3.89Å; Y219-W285 HydrophobicContact CG-CZ3 3.89Å; L221-W285 HydrophobicContact CD1-CE3 3.74Å; L221-W285 HydrophobicContact CD1-CZ3 3.79Å; L221-W285 HydrophobicContact CG-CE3 4.34Å; L221-W285 HydrophobicContact CG-CZ3 4.48Å; L275-W285 HydrophobicContact CD2-CZ3 4.27Å; I283-W285 HydrophobicContact CG2-CD2 4Å; I283-W285 HydrophobicContact CG2-CG 4.26Å; I283-W285 HydrophobicContact CG2-CZ2 3.92Å; W285-L287 HydrophobicContact CB-CD2 4.14Å; W285-L287 HydrophobicContact CB-CG 4.29Å; W285-F301 HydrophobicContact CB-CZ 4.41Å; W285-F301 AromaticContact CD2-CE1 3.54Å; W285-F301 HydrophobicContact CD2-CE1 3.54Å; W285-F301 AromaticContact CD2-CZ 3.93Å; W285-F301 HydrophobicContact CD2-CZ 3.93Å; W285-F301 AromaticContact CE2-CE1 3.46Å; W285-F301 VanDerWaalsContact CE2-CE1 3.46Å; W285-F301 AromaticContact CE3-CE1 3.89Å; W285-F301 HydrophobicContact CE3-CE1 3.89Å; W285-F301 HydrophobicContact CE3-CZ 4.22Å; W285-F301 AromaticContact CG-CE1 3.98Å; W285-F301 HydrophobicContact CG-CE1 3.98Å; W285-F301 HydrophobicContact CG-CZ 4.03Å; W285-F301 HydrophobicContact CH2-CE1 4.12Å; W285-F301 HydrophobicContact CZ2-CD1 4.28Å; W285-F301 AromaticContact CZ2-CE1 3.77Å; W285-F301 HydrophobicContact CZ2-CE1 3.77Å; W285-F301 HydrophobicContact CZ3-CE1 4.17Å; W285-F301 AromaticContact NE1-CE1 3.8Å; W285-T325 WeakPolarHBondContact O-CA 3.22Å; W285-A326 HydrophobicContact CB-CB 4.32Å; W285-A326 PolarHBondContact N-O 2.92Å; W285-A326 PolarHBondContact O-N 3.21Å; W285-M328 HydrophobicContact CZ2-CE 3.75Å
286	H	97.8	Very high	94.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	103.9	174.7	-65.4	-74.4	0	0	0	108.8	T178 L200 T218 Y219 A220 L221 T325	T178-H286 HydrophobicContact CG2-CB 3.81Å; T178-H286 VanDerWaalsContact OG1-CA 3.26Å; T178-H286 WeakPolarHBondContact OG1-CA 3.42Å; T178-H286 VanDerWaalsContact OG1-CB 3.31Å; T178-H286 WeakPolarHBondContact OG1-CB 3.48Å; T178-H286 PolarHBondContact OG1-ND1 3.36Å; L200-H286 HydrophobicContact CD2-CB 4.18Å; L200-H286 WeakPolarHBondContact CD2-ND1 3.46Å; T218-H286 VanDerWaalsContact CG2-CD2 3.42Å; T218-H286 WeakPolarHBondContact CG2-CD2 3.14Å; Y219-H286 PolarHBondContact O-N 3.28Å; A220-H286 CarbonylContact C-O 3.58Å; A220-H286 VanDerWaalsContact CA-O 3.27Å; A220-H286 WeakPolarHBondContact CA-O 3.05Å; A220-H286 HydrophobicContact CB-CB 4.12Å; L221-H286 PolarHBondContact N-O 2.74Å; H286-T325 PolarHBondContact ND1-OG1 2.85Å
287	L	98.4	Very high	94.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.7	-171.3	-55.5	178.6	0	0	0	110	L221 F223 W285 F301 V316 L318 S323 T324 A326	L221-L287 HydrophobicContact CB-CD2 3.99Å; L221-L287 HydrophobicContact CD1-CD2 4.06Å; L221-L287 HydrophobicContact CG-CD2 4.37Å; L221-L287 WeakPolarHBondContact O-CA 3.37Å; F223-L287 HydrophobicContact CE2-CD2 4.12Å; W285-L287 HydrophobicContact CB-CD2 4.14Å; W285-L287 HydrophobicContact CB-CG 4.29Å; L287-F301 HydrophobicContact CD1-CE2 4.33Å; L287-F301 HydrophobicContact CD2-CZ 4.32Å; L287-V316 HydrophobicContact CD1-CB 3.95Å; L287-V316 HydrophobicContact CD1-CG1 3.87Å; L287-V316 HydrophobicContact CD1-CG2 3.98Å; L287-L318 HydrophobicContact CB-CD1 3.94Å; L287-L318 HydrophobicContact CB-CD2 3.9Å; L287-S323 VanDerWaalsContact O-CA 3.29Å; L287-S323 WeakPolarHBondContact O-CA 3.37Å; L287-T324 HydrophobicContact CB-CG2 4.2Å; L287-T324 HydrophobicContact CD1-CG2 4.46Å; L287-T324 PolarHBondContact N-O 3.49Å; L287-T324 PolarHBondContact O-N 3.22Å; L287-A326 HydrophobicContact CD1-CB 4.44Å
288	I	98.4	Very high	95.1	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.9	-180	-56.9	162.3	0	0	0	107.5	T178 F180 P198 L221 L222 F223	T178-I288 HydrophobicContact CG2-CD1 4.18Å; T178-I288 HydrophobicContact CG2-CG1 3.62Å; F180-I288 HydrophobicContact CB-CD1 4.03Å; F180-I288 HydrophobicContact CD1-CG2 3.91Å; F180-I288 HydrophobicContact CE1-CG2 4.4Å; F180-I288 HydrophobicContact CG-CG2 4.32Å; P198-I288 HydrophobicContact CB-CD1 4.05Å; L221-I288 PolarHBondContact O-N 2.95Å; L222-I288 WeakPolarHBondContact CA-O 3.38Å; L222-I288 HydrophobicContact CD1-CB 4.06Å; L222-I288 HydrophobicContact CD1-CG2 3.72Å; F223-I288 PolarHBondContact N-O 2.88Å
289	G	97.7	Very high	95.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.3	164.9	0	0	0	0	0	109.5	F319 A321 S322	G289-F319 CarbonylContact C-O 3.45Å; G289-F319 WeakPolarHBondContact CA-O 3.45Å; G289-F319 VanDerWaalsContact O-O 3.05Å; G289-A321 WeakPolarHBondContact O-CA 3.46Å; G289-A321 PolarHBondContact O-N 3.47Å; G289-S322 PolarHBondContact N-O 2.96Å
290	L	96.3	Very high	95.6	Very high	4 Å²	4	15.6 Å²	15.6	2%	0.021	8%	0.084	C	C	.	.			trans	-155.9	150.4	176.6	-143.8	132	0	0	0	110.4	F180 V191 I196 L222 F223 M224	F180-L290 HydrophobicContact CD2-CD1 4Å; F180-L290 HydrophobicContact CE1-CD1 4.4Å; F180-L290 HydrophobicContact CE2-CD1 3.49Å; F180-L290 VanDerWaalsContact CE2-CD1 3.49Å; F180-L290 HydrophobicContact CZ-CD1 3.73Å; V191-L290 HydrophobicContact CB-CD2 4.19Å; V191-L290 HydrophobicContact CG1-CD2 3.24Å; V191-L290 HydrophobicContact CG2-CD2 4.1Å; I196-L290 HydrophobicContact CD1-CD1 4.13Å; L222-L290 HydrophobicContact CD1-CB 3.82Å; F223-L290 PolarHBondContact O-N 2.81Å; M224-L290 WeakPolarHBondContact CA-O 3.36Å; M224-L290 VanDerWaalsContact CB-O 3.3Å; M224-L290 WeakPolarHBondContact CB-O 3.49Å; M224-L290 WeakPolarHBondContact CG-O 3.37Å
291	G	94.4	Very high	96	Very high	3 Å²	3	14.4 Å²	14.4	3%	0.031	7%	0.072	C	C	.	.	S	Bend	trans	142	-129.4	176.1	0	0	0	0	0	113.6	D295 T1047	G291-D295 VanDerWaalsContact CA-OD2 3.24Å; G291-D295 WeakPolarHBondContact CA-OD2 3.49Å; G291-T1047 WeakPolarHBondContact O-CB 3.2Å; G291-T1047 PolarHBondContact O-N 3.05Å; G291-T1047 VanDerWaalsContact O-N 3.16Å; G291-T1047 PolarHBondContact O-OG1 3.11Å
292	N	94.5	Very high	96.1	Very high	37 Å²	37	12.5 Å²	12.5	20%	0.198	6%	0.061	C	C	.	.	S	Bend	trans	-121.4	-165.5	-173.3	-153.6	3.8	0	0	0	113.3	V294 D295 P320 D1048	N292-V294 PolarHBondContact O-N 3.03Å; N292-D295 PolarHBondContact N-OD2 3.15Å; N292-D295 WeakPolarHBondContact O-CB 3.36Å; N292-D295 PolarHBondContact O-N 2.75Å; N292-P320 VanDerWaalsContact O-CG 3.23Å; N292-P320 WeakPolarHBondContact O-CG 3.38Å; N292-D1048 VanDerWaalsContact OD1-CB 3.27Å; N292-D1048 WeakPolarHBondContact OD1-CB 3.49Å; N292-D1048 PolarHBondContact OD1-N 3.21Å
293	E	93.8	Very high	96	Very high	48 Å²	48	7.2 Å²	7.2	22%	0.224	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-34.2	179.2	-66.7	174.6	-176.7	0	0	113.2	D295 V994 I996 V1046 H1049	E293-D295 PolarHBondContact O-N 3.34Å; E293-V994 WeakPolarHBondContact OE2-CG1 3.48Å; E293-I996 VanDerWaalsContact O-CD1 3.26Å; E293-I996 WeakPolarHBondContact O-CD1 3.36Å; E293-V1046 HydrophobicContact CG-CG1 3.85Å; E293-H1049 IonicContact OE1-CD2 3.52Å; E293-H1049 IonicContact OE1-NE2 2.84Å; E293-H1049 PolarHBondContact OE1-NE2 2.83Å
294	V	92.9	Very high	95.9	Very high	43 Å²	43	7.2 Å²	7.2	26%	0.261	4%	0.039	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-18	176.5	-58.4	0	0	0	0	113	V225 N292 M296 H345 E655	V225-V294 HydrophobicContact CB-CG2 4.23Å; V225-V294 HydrophobicContact CG1-CG2 4.44Å; V225-V294 HydrophobicContact CG2-CG2 4.16Å; N292-V294 PolarHBondContact O-N 3.03Å; V294-M296 PolarHBondContact O-N 3.29Å; V294-H345 PolarHBondContact O-CE1 3.09Å; V294-H345 PolarHBondContact O-NE2 3.12Å; V294-E655 HydrophobicContact CB-CG 4.09Å; V294-E655 HydrophobicContact CG1-CG 4.2Å; V294-E655 WeakPolarHBondContact O-CB 3.13Å
295	D	95.6	Very high	95.7	Very high	2 Å²	2	8 Å²	8	1%	0.011	4%	0.043	C	C	.	.			trans	-80	52.2	-173.6	-78.3	-83.1	0	0	0	113.9	M224 V225 G291 N292 E293 H297 F319 P320	M224-D295 WeakPolarHBondContact CA-OD1 3.11Å; V225-D295 WeakPolarHBondContact CG2-OD1 3.41Å; V225-D295 PolarHBondContact N-OD1 2.82Å; G291-D295 VanDerWaalsContact CA-OD2 3.24Å; G291-D295 WeakPolarHBondContact CA-OD2 3.49Å; N292-D295 PolarHBondContact N-OD2 3.15Å; N292-D295 WeakPolarHBondContact O-CB 3.36Å; N292-D295 PolarHBondContact O-N 2.75Å; E293-D295 PolarHBondContact O-N 3.34Å; D295-H297 IonicContact OD1-CE1 2.81Å; D295-H297 PolarHBondContact OD1-CE1 3.08Å; D295-H297 IonicContact OD1-NE2 2.7Å; D295-H297 PolarHBondContact OD1-NE2 2.93Å; D295-F319 WeakPolarHBondContact O-CA 3.21Å; D295-P320 HydrophobicContact CB-CG 3.96Å; D295-P320 WeakPolarHBondContact O-CD 3.11Å
296	M	94.8	Very high	95.5	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.042	C	C	.	.			trans	-91.3	119.5	160.4	173.8	171	61.3	0	0	109.3	V294 F319 V342 H345 T654 E655 I658 F681 P682	V294-M296 PolarHBondContact O-N 3.29Å; M296-F319 HydrophobicContact CB-CD1 4.24Å; M296-F319 HydrophobicContact CB-CE1 4.12Å; M296-F319 HydrophobicContact CG-CD1 4.18Å; M296-F319 HydrophobicContact CG-CE1 3.59Å; M296-F319 HydrophobicContact CG-CZ 4.4Å; M296-F319 HydrophobicContact SD-CE1 3.89Å; M296-V342 WeakPolarHBondContact O-CG2 3.34Å; M296-H345 PolarHBondContact O-CE1 3.45Å; M296-H345 PolarHBondContact O-ND1 3.47Å; M296-T654 VanDerWaalsContact CE-O 3.28Å; M296-T654 WeakPolarHBondContact CE-O 3.36Å; M296-E655 VanDerWaalsContact CE-CA 3.45Å; M296-E655 WeakPolarHBondContact CE-O 3.11Å; M296-I658 HydrophobicContact CE-CG1 3.88Å; M296-I658 HydrophobicContact SD-CG1 3.74Å; M296-F681 HydrophobicContact SD-CB 3.83Å; M296-F681 HydrophobicContact SD-CD1 3.28Å; M296-F681 WeakPolarHBondContact SD-CD1 3.29Å; M296-F681 HydrophobicContact SD-CE1 4.08Å; M296-F681 HydrophobicContact SD-CG 3.83Å; M296-P682 HydrophobicContact CE-CG 4.24Å
297	H	97.3	Very high	95.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.1	-176.6	-56.8	-66.5	0	0	0	111.6	F223 D295 V299 S317 L318 C340 H345 M350	F223-H297 HydrophobicContact CB-CB 4.2Å; D295-H297 IonicContact OD1-CE1 2.81Å; D295-H297 PolarHBondContact OD1-CE1 3.08Å; D295-H297 IonicContact OD1-NE2 2.7Å; D295-H297 PolarHBondContact OD1-NE2 2.93Å; H297-V299 HydrophobicContact CB-CG2 4.44Å; H297-S317 CarbonylContact O-C 3.59Å; H297-S317 WeakPolarHBondContact O-CA 3.23Å; H297-L318 HydrophobicContact CB-CB 4.17Å; H297-L318 PolarHBondContact N-O 2.93Å; H297-L318 PolarHBondContact O-N 3.45Å; H297-C340 VanDerWaalsContact CA-SG 3.59Å; H297-H345 AromaticContact CE1-CE1 3.46Å; H297-H345 PolarHBondContact CE1-CE1 3.37Å; H297-H345 VanDerWaalsContact CE1-CE1 3.46Å; H297-H345 AromaticContact CE1-ND1 3.49Å; H297-H345 PolarHBondContact CE1-ND1 3.46Å; H297-H345 AromaticContact ND1-CE1 3.59Å; H297-H345 AromaticContact ND1-ND1 3.22Å; H297-H345 PolarHBondContact ND1-ND1 2.61Å; H297-M350 VanDerWaalsContact CE1-CE 3.5Å; H297-M350 WeakPolarHBondContact CE1-CE 3.29Å; H297-M350 PolarHBondContact ND1-SD 3.24Å
298	S	96.9	Very high	95	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	95.9	170	-70.4	0	0	0	0	109.4	C340 T341 P682	S298-C340 CarbonylContact O-C 3.5Å; S298-C340 WeakPolarHBondContact O-CA 3.27Å; S298-T341 WeakPolarHBondContact CB-OG1 3.46Å; S298-T341 PolarHBondContact O-N 3.11Å; S298-T341 PolarHBondContact O-OG1 2.63Å; S298-P682 WeakPolarHBondContact CB-O 3.46Å; S298-P682 PolarHBondContact OG-O 2.82Å
299	V	97.6	Very high	94.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	116.3	-172.5	-174.2	0	0	0	0	110.9	F223 H297 F301 M315 V316 L318 L338 T339	F223-V299 HydrophobicContact CD1-CG2 3.74Å; F223-V299 HydrophobicContact CD2-CG2 3.95Å; F223-V299 HydrophobicContact CE1-CB 4.28Å; F223-V299 HydrophobicContact CE1-CG1 3.82Å; F223-V299 HydrophobicContact CE1-CG2 3.55Å; F223-V299 HydrophobicContact CE2-CG1 4Å; F223-V299 HydrophobicContact CE2-CG2 3.79Å; F223-V299 HydrophobicContact CG-CG2 3.95Å; F223-V299 HydrophobicContact CZ-CB 4.13Å; F223-V299 HydrophobicContact CZ-CG1 3.35Å; F223-V299 HydrophobicContact CZ-CG2 3.59Å; H297-V299 HydrophobicContact CB-CG2 4.44Å; V299-F301 HydrophobicContact CG1-CD2 4.15Å; V299-F301 HydrophobicContact CG1-CE2 3.59Å; V299-F301 HydrophobicContact CG1-CZ 4.27Å; V299-M315 CarbonylContact O-C 3.58Å; V299-M315 VanDerWaalsContact O-CA 3.28Å; V299-M315 WeakPolarHBondContact O-CA 2.97Å; V299-V316 HydrophobicContact CB-CB 4.5Å; V299-V316 PolarHBondContact N-O 3.25Å; V299-V316 PolarHBondContact O-N 3.32Å; V299-L318 HydrophobicContact CG2-CD1 3.69Å; V299-L318 HydrophobicContact CG2-CG 4.31Å; V299-L338 HydrophobicContact CG1-CD1 3.56Å; V299-T339 CarbonylContact C-O 3.59Å; V299-T339 WeakPolarHBondContact CA-O 3.42Å
300	H	96.9	Very high	94.1	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.3	179.3	-173.3	-153.8	0	0	0	112.4	H302 D314 M315 L338 T339 T341 H469	H300-H302 AromaticContact CE1-CD2 3.59Å; H300-H302 AromaticContact CE1-CE1 3.68Å; H300-H302 AromaticContact CE1-CG 3.53Å; H300-H302 AromaticContact CE1-ND1 3.57Å; H300-H302 AromaticContact CE1-NE2 3.69Å; H300-H302 AromaticContact CG-CD2 3.77Å; H300-H302 AromaticContact CG-NE2 3.95Å; H300-H302 AromaticContact ND1-CD2 3.17Å; H300-H302 PolarHBondContact ND1-CD2 2.79Å; H300-H302 AromaticContact ND1-CE1 3.44Å; H300-H302 PolarHBondContact ND1-CE1 3.28Å; H300-H302 AromaticContact ND1-CG 3.62Å; H300-H302 AromaticContact ND1-ND1 3.75Å; H300-H302 AromaticContact ND1-NE2 3.06Å; H300-H302 PolarHBondContact ND1-NE2 3.41Å; H300-D314 IonicContact CD2-OD2 3.52Å; H300-D314 IonicContact NE2-OD2 2.67Å; H300-M315 VanDerWaalsContact CA-SD 3.54Å; H300-M315 HydrophobicContact CB-CE 3.37Å; H300-M315 HydrophobicContact CB-SD 3.49Å; H300-M315 WeakPolarHBondContact CB-SD 3.48Å; H300-M315 VanDerWaalsContact CG-CE 3.4Å; H300-L338 WeakPolarHBondContact O-CA 3.48Å; H300-T339 PolarHBondContact N-O 2.82Å; H300-T339 PolarHBondContact O-N 3.46Å; H300-T341 HydrophobicContact CB-CG2 3.71Å; H300-H469 AromaticContact CD2-CE1 3.74Å; H300-H469 AromaticContact CD2-ND1 3.68Å; H300-H469 AromaticContact CE1-CE1 3.43Å; H300-H469 PolarHBondContact CE1-CE1 3.08Å; H300-H469 VanDerWaalsContact CE1-CE1 3.43Å; H300-H469 AromaticContact CE1-ND1 3.67Å; H300-H469 AromaticContact CG-CE1 3.91Å; H300-H469 AromaticContact ND1-CE1 3.68Å; H300-H469 AromaticContact NE2-CE1 3.45Å; H300-H469 PolarHBondContact NE2-CE1 2.65Å; H300-H469 AromaticContact NE2-ND1 3.25Å; H300-H469 PolarHBondContact NE2-ND1 3.22Å
301	F	96.9	Very high	93.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	93.6	171.7	-69.9	-104	0	0	0	110	W285 L287 V299 G303 Q304 L306 D314 L338 F354	W285-F301 HydrophobicContact CB-CZ 4.41Å; W285-F301 AromaticContact CD2-CE1 3.54Å; W285-F301 HydrophobicContact CD2-CE1 3.54Å; W285-F301 AromaticContact CD2-CZ 3.93Å; W285-F301 HydrophobicContact CD2-CZ 3.93Å; W285-F301 AromaticContact CE2-CE1 3.46Å; W285-F301 VanDerWaalsContact CE2-CE1 3.46Å; W285-F301 AromaticContact CE3-CE1 3.89Å; W285-F301 HydrophobicContact CE3-CE1 3.89Å; W285-F301 HydrophobicContact CE3-CZ 4.22Å; W285-F301 AromaticContact CG-CE1 3.98Å; W285-F301 HydrophobicContact CG-CE1 3.98Å; W285-F301 HydrophobicContact CG-CZ 4.03Å; W285-F301 HydrophobicContact CH2-CE1 4.12Å; W285-F301 HydrophobicContact CZ2-CD1 4.28Å; W285-F301 AromaticContact CZ2-CE1 3.77Å; W285-F301 HydrophobicContact CZ2-CE1 3.77Å; W285-F301 HydrophobicContact CZ3-CE1 4.17Å; W285-F301 AromaticContact NE1-CE1 3.8Å; L287-F301 HydrophobicContact CD1-CE2 4.33Å; L287-F301 HydrophobicContact CD2-CZ 4.32Å; V299-F301 HydrophobicContact CG1-CD2 4.15Å; V299-F301 HydrophobicContact CG1-CE2 3.59Å; V299-F301 HydrophobicContact CG1-CZ 4.27Å; F301-G303 PolarHBondContact O-N 2.98Å; F301-Q304 HydrophobicContact CB-CB 4.32Å; F301-Q304 PolarHBondContact O-N 3.21Å; F301-L306 HydrophobicContact CB-CD1 4.19Å; F301-L306 HydrophobicContact CB-CD2 4.4Å; F301-L306 HydrophobicContact CB-CG 4.48Å; F301-L306 HydrophobicContact CD1-CD2 4.35Å; F301-L306 HydrophobicContact CD2-CD1 3.37Å; F301-L306 HydrophobicContact CD2-CG 4.43Å; F301-L306 HydrophobicContact CE2-CD1 3.77Å; F301-L306 HydrophobicContact CG-CD1 3.81Å; F301-L306 HydrophobicContact CG-CD2 4.18Å; F301-L306 HydrophobicContact CG-CG 4.43Å; F301-D314 PolarHBondContact N-O 2.56Å; F301-D314 VanDerWaalsContact N-O 3.09Å; F301-L338 HydrophobicContact CD1-CD1 3.8Å; F301-L338 HydrophobicContact CD2-CD1 3.88Å; F301-L338 HydrophobicContact CE1-CD1 3.63Å; F301-L338 HydrophobicContact CE1-CD2 4.48Å; F301-L338 HydrophobicContact CE2-CD1 3.77Å; F301-L338 HydrophobicContact CG-CD1 3.94Å; F301-L338 HydrophobicContact CZ-CD1 3.63Å; F301-F354 HydrophobicContact CD1-CE1 4.38Å; F301-F354 HydrophobicContact CD1-CZ 4.45Å
302	H	95.3	Very high	93.7	Very high	3 Å²	3	19 Å²	19	1%	0.014	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	136.2	-173.5	-71.3	-117.5	0	0	0	111.8	H300 Q304 W336 L337 T339 Q467	H300-H302 AromaticContact CE1-CD2 3.59Å; H300-H302 AromaticContact CE1-CE1 3.68Å; H300-H302 AromaticContact CE1-CG 3.53Å; H300-H302 AromaticContact CE1-ND1 3.57Å; H300-H302 AromaticContact CE1-NE2 3.69Å; H300-H302 AromaticContact CG-CD2 3.77Å; H300-H302 AromaticContact CG-NE2 3.95Å; H300-H302 AromaticContact ND1-CD2 3.17Å; H300-H302 PolarHBondContact ND1-CD2 2.79Å; H300-H302 AromaticContact ND1-CE1 3.44Å; H300-H302 PolarHBondContact ND1-CE1 3.28Å; H300-H302 AromaticContact ND1-CG 3.62Å; H300-H302 AromaticContact ND1-ND1 3.75Å; H300-H302 AromaticContact ND1-NE2 3.06Å; H300-H302 PolarHBondContact ND1-NE2 3.41Å; H302-Q304 PolarHBondContact O-N 3.04Å; H302-Q304 VanDerWaalsContact O-N 3.15Å; H302-W336 HydrophobicContact CB-CE3 4.18Å; H302-L337 HydrophobicContact CB-CB 4.15Å; H302-L337 WeakPolarHBondContact CB-O 3.15Å; H302-L337 VanDerWaalsContact CD2-CB 3.46Å; H302-L337 WeakPolarHBondContact CD2-CB 3.48Å; H302-L337 PolarHBondContact CD2-O 2.79Å; H302-L337 PolarHBondContact N-O 2.82Å; H302-L337 VanDerWaalsContact N-O 3.11Å; H302-T339 PolarHBondContact NE2-OG1 3.24Å; H302-Q467 PolarHBondContact ND1-NE2 3.15Å
303	G	91.6	Very high	93.7	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.01	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	1.1	176.9	0	0	0	0	0	115.9	F301 N332 Y473	F301-G303 PolarHBondContact O-N 2.98Å; G303-N332 PolarHBondContact O-ND2 3.23Å; G303-Y473 PolarHBondContact N-OH 3.21Å
304	Q	92.2	Very high	93.6	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	9%	0.09	C	C	.	.			trans	-116.7	160	-175.8	-55.1	-55.7	-48.7	0	0	111.9	F301 H302 M328 D331 F354 I356	F301-Q304 HydrophobicContact CB-CB 4.32Å; F301-Q304 PolarHBondContact O-N 3.21Å; H302-Q304 PolarHBondContact O-N 3.04Å; H302-Q304 VanDerWaalsContact O-N 3.15Å; Q304-M328 HydrophobicContact CB-SD 3.59Å; Q304-M328 VanDerWaalsContact CB-SD 3.59Å; Q304-M328 HydrophobicContact CG-CE 4.46Å; Q304-M328 HydrophobicContact CG-SD 3.75Å; Q304-D331 PolarHBondContact NE2-O 2.72Å; Q304-D331 PolarHBondContact OE1-O 2.98Å; Q304-F354 HydrophobicContact CG-CE2 4.02Å; Q304-F354 HydrophobicContact CG-CZ 3.81Å; Q304-I356 VanDerWaalsContact CD-CD1 3.5Å; Q304-I356 HydrophobicContact CG-CD1 4.33Å; Q304-I356 VanDerWaalsContact NE2-CD1 3.31Å
305	I	92.6	Very high	93.6	Very high	20 Å²	20	14.9 Å²	14.9	10%	0.103	8%	0.079	C	C	.	.			trans	-124.2	131.6	171.6	-57.9	-66.2	0	0	0	107.4	H312 D314 G470 Q472 P526 A529	I305-H312 HydrophobicContact CG2-CB 4.45Å; I305-D314 HydrophobicContact CD1-CB 4.44Å; I305-G470 VanDerWaalsContact CD1-C 3.46Å; I305-Q472 HydrophobicContact CG1-CG 3.87Å; I305-P526 HydrophobicContact CG1-CG 4Å; I305-A529 HydrophobicContact CG2-CB 4.48Å
306	L	94.3	Very high	93.6	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	167.4	-180	-44.3	166.9	0	0	0	109.7	F301 H312 T313 V316 A326 E327 M328	F301-L306 HydrophobicContact CB-CD1 4.19Å; F301-L306 HydrophobicContact CB-CD2 4.4Å; F301-L306 HydrophobicContact CB-CG 4.48Å; F301-L306 HydrophobicContact CD1-CD2 4.35Å; F301-L306 HydrophobicContact CD2-CD1 3.37Å; F301-L306 HydrophobicContact CD2-CG 4.43Å; F301-L306 HydrophobicContact CE2-CD1 3.77Å; F301-L306 HydrophobicContact CG-CD1 3.81Å; F301-L306 HydrophobicContact CG-CD2 4.18Å; F301-L306 HydrophobicContact CG-CG 4.43Å; L306-H312 WeakPolarHBondContact O-CA 3.31Å; L306-T313 CarbonylContact C-O 3.17Å; L306-T313 VanDerWaalsContact CA-O 3.3Å; L306-T313 WeakPolarHBondContact CA-O 3.34Å; L306-T313 HydrophobicContact CB-CG2 4.44Å; L306-T313 VanDerWaalsContact CB-O 3.25Å; L306-T313 WeakPolarHBondContact CB-O 3.41Å; L306-T313 PolarHBondContact N-O 2.81Å; L306-T313 PolarHBondContact O-N 3.18Å; L306-T313 VanDerWaalsContact O-O 3.07Å; L306-V316 HydrophobicContact CD1-CG2 4.36Å; L306-A326 HydrophobicContact CB-CB 4.5Å; L306-A326 HydrophobicContact CD1-CB 4.38Å; L306-E327 CarbonylContact C-O 3.58Å; L306-E327 VanDerWaalsContact CA-O 3.28Å; L306-E327 WeakPolarHBondContact CA-O 3.32Å; L306-M328 HydrophobicContact CD2-CB 3.54Å; L306-M328 HydrophobicContact CD2-CG 3.62Å; L306-M328 HydrophobicContact CD2-SD 3.44Å; L306-M328 WeakPolarHBondContact CD2-SD 3.21Å
307	T	93.7	Very high	93.7	Very high	35 Å²	35	16.5 Å²	16.5	22%	0.215	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.1	165.4	-54.8	0	0	0	0	108.4	H311 H312 A326 E327	T307-H311 CarbonylContact C-O 3.6Å; T307-H311 WeakPolarHBondContact CA-O 3.5Å; T307-H312 PolarHBondContact OG1-ND1 3.09Å; T307-A326 WeakPolarHBondContact O-CA 3.37Å; T307-E327 PolarHBondContact N-O 3.23Å; T307-E327 PolarHBondContact O-N 2.83Å
308	N	92.6	Very high	93.6	Very high	23 Å²	23	16.6 Å²	16.6	12%	0.123	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123	175.3	-178.6	-7.3	0	0	0	108.7	N310 H311 T313 T324	N308-N310 VanDerWaalsContact C-N 3.27Å; N308-N310 PolarHBondContact O-N 3.45Å; N308-H311 PolarHBondContact N-O 2.78Å; N308-H311 WeakPolarHBondContact O-CB 3.48Å; N308-H311 PolarHBondContact O-N 3.25Å; N308-T313 HydrophobicContact CB-CG2 3.97Å; N308-T324 PolarHBondContact OD1-OG1 3.22Å; N308-T324 VanDerWaalsContact OD1-OG1 3.08Å
309	L	89.3	Confident	93.6	Very high	46 Å²	46	17 Å²	17	24%	0.241	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	42.6	-172.5	-61.7	174.6	0	0	0	112.9	H311	L309-H311 PolarHBondContact O-CD2 3.44Å; L309-H311 PolarHBondContact O-N 3.43Å
310	N	87.8	Confident	93.5	Very high	83 Å²	83	17 Å²	17	44%	0.444	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	16.5	-174.6	-55.7	-43.6	0	0	0	115.5	E172 N308 V532	E172-N310 PolarHBondContact O-ND2 3.43Å; N308-N310 VanDerWaalsContact C-N 3.27Å; N308-N310 PolarHBondContact O-N 3.45Å; N310-V532 WeakPolarHBondContact O-CG1 3.41Å
311	H	89.6	Confident	93.4	Very high	18 Å²	18	17 Å²	17	8%	0.083	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.3	176.9	-63	-85.2	0	0	0	111.7	T307 N308 L309 E535 R671	T307-H311 CarbonylContact C-O 3.6Å; T307-H311 WeakPolarHBondContact CA-O 3.5Å; N308-H311 PolarHBondContact N-O 2.78Å; N308-H311 WeakPolarHBondContact O-CB 3.48Å; N308-H311 PolarHBondContact O-N 3.25Å; L309-H311 PolarHBondContact O-CD2 3.44Å; L309-H311 PolarHBondContact O-N 3.43Å; H311-E535 IonicContact CE1-OE1 3.31Å; H311-E535 PolarHBondContact CE1-OE1 2.96Å; H311-E535 IonicContact CG-OE1 2.88Å; H311-E535 IonicContact ND1-OE1 2.72Å; H311-E535 PolarHBondContact ND1-OE1 3.3Å; H311-E535 IonicContact ND1-OE2 3.57Å; H311-R671 VanDerWaalsContact CB-NH2 3.28Å; H311-R671 PolarHBondContact CD2-NH1 2.91Å; H311-R671 VanDerWaalsContact CD2-NH1 3.28Å; H311-R671 VanDerWaalsContact CG-CZ 3.47Å
312	H	92.6	Very high	93.2	Very high	36 Å²	36	17.1 Å²	17.1	17%	0.167	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	133.9	-178.7	-60	-59	0	0	0	112.1	I305 L306 T307 G528 G530 L539 Y541	I305-H312 HydrophobicContact CG2-CB 4.45Å; L306-H312 WeakPolarHBondContact O-CA 3.31Å; T307-H312 PolarHBondContact OG1-ND1 3.09Å; H312-G528 PolarHBondContact CD2-O 3.24Å; H312-G528 VanDerWaalsContact CD2-O 3.29Å; H312-G528 PolarHBondContact CE1-O 3.46Å; H312-G528 VanDerWaalsContact CG-O 3.26Å; H312-G528 PolarHBondContact ND1-O 3.36Å; H312-G528 PolarHBondContact NE2-O 3.29Å; H312-G530 PolarHBondContact CD2-O 2.98Å; H312-L539 HydrophobicContact CB-CD1 4.33Å; H312-Y541 PolarHBondContact O-OH 2.79Å
313	T	92.9	Very high	93.3	Very high	27 Å²	27	18 Å²	18	17%	0.166	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	156	179.6	-169.5	0	0	0	0	110	L306 N308 M315 V316	L306-T313 CarbonylContact C-O 3.17Å; L306-T313 VanDerWaalsContact CA-O 3.3Å; L306-T313 WeakPolarHBondContact CA-O 3.34Å; L306-T313 HydrophobicContact CB-CG2 4.44Å; L306-T313 VanDerWaalsContact CB-O 3.25Å; L306-T313 WeakPolarHBondContact CB-O 3.41Å; L306-T313 PolarHBondContact N-O 2.81Å; L306-T313 PolarHBondContact O-N 3.18Å; L306-T313 VanDerWaalsContact O-O 3.07Å; N308-T313 HydrophobicContact CB-CG2 3.97Å; T313-M315 VanDerWaalsContact CG2-O 3.25Å; T313-M315 WeakPolarHBondContact CG2-O 3.46Å; T313-M315 PolarHBondContact OG1-N 2.65Å; T313-M315 PolarHBondContact OG1-O 3.35Å; T313-V316 HydrophobicContact CG2-CG2 4.5Å
314	D	91.9	Very high	93.5	Very high	6 Å²	6	19.1 Å²	19.1	3%	0.032	11%	0.107	C	C	.	.	S	Bend	trans	-106.7	-3	164.3	59.6	-18.9	0	0	0	112	H300 F301 I305 H469 G470	H300-D314 IonicContact CD2-OD2 3.52Å; H300-D314 IonicContact NE2-OD2 2.67Å; F301-D314 PolarHBondContact N-O 2.56Å; F301-D314 VanDerWaalsContact N-O 3.09Å; I305-D314 HydrophobicContact CD1-CB 4.44Å; D314-H469 WeakPolarHBondContact OD2-CA 3.16Å; D314-H469 WeakPolarHBondContact OD2-CB 3.38Å; D314-H469 IonicContact OD2-CG 3.29Å; D314-H469 IonicContact OD2-ND1 2.65Å; D314-H469 PolarHBondContact OD2-ND1 3.5Å; D314-G470 PolarHBondContact OD2-N 3.25Å
315	M	93.8	Very high	93.6	Very high	9 Å²	9	19.6 Å²	19.6	4%	0.044	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141.7	-172.3	-76.4	-73	-167.4	0	0	112.3	V299 H300 T313 T341 H469 H683 I684	V299-M315 CarbonylContact O-C 3.58Å; V299-M315 VanDerWaalsContact O-CA 3.28Å; V299-M315 WeakPolarHBondContact O-CA 2.97Å; H300-M315 VanDerWaalsContact CA-SD 3.54Å; H300-M315 HydrophobicContact CB-CE 3.37Å; H300-M315 HydrophobicContact CB-SD 3.49Å; H300-M315 WeakPolarHBondContact CB-SD 3.48Å; H300-M315 VanDerWaalsContact CG-CE 3.4Å; T313-M315 VanDerWaalsContact CG2-O 3.25Å; T313-M315 WeakPolarHBondContact CG2-O 3.46Å; T313-M315 PolarHBondContact OG1-N 2.65Å; T313-M315 PolarHBondContact OG1-O 3.35Å; M315-T341 HydrophobicContact CE-CG2 3.92Å; M315-H469 WeakPolarHBondContact CE-CE1 3.34Å; M315-H469 WeakPolarHBondContact CE-NE2 3.48Å; M315-H683 HydrophobicContact CE-CB 3.52Å; M315-H683 HydrophobicContact SD-CB 4.46Å; M315-I684 HydrophobicContact CB-CD1 3.82Å
316	V	95.8	Very high	93.8	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	125.6	175.2	-178.9	0	0	0	0	110.3	L287 V299 L306 T313 L318 T324 A326	L287-V316 HydrophobicContact CD1-CB 3.95Å; L287-V316 HydrophobicContact CD1-CG1 3.87Å; L287-V316 HydrophobicContact CD1-CG2 3.98Å; V299-V316 HydrophobicContact CB-CB 4.5Å; V299-V316 PolarHBondContact N-O 3.25Å; V299-V316 PolarHBondContact O-N 3.32Å; L306-V316 HydrophobicContact CD1-CG2 4.36Å; T313-V316 HydrophobicContact CG2-CG2 4.5Å; V316-L318 HydrophobicContact CG1-CD2 4.06Å; V316-L318 HydrophobicContact CG1-CG 4.39Å; V316-T324 HydrophobicContact CG1-CG2 3.51Å; V316-A326 HydrophobicContact CG2-CB 4.44Å
317	S	95.6	Very high	93.9	Very high	34 Å²	34	21.7 Å²	21.7	24%	0.238	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	136	171.2	-50.5	0	0	0	0	111	H297 I684	H297-S317 CarbonylContact O-C 3.59Å; H297-S317 WeakPolarHBondContact O-CA 3.23Å; S317-I684 VanDerWaalsContact OG-CD1 3.22Å; S317-I684 WeakPolarHBondContact OG-CD1 3.3Å; S317-I684 VanDerWaalsContact OG-CG1 3.23Å; S317-I684 WeakPolarHBondContact OG-CG1 3.21Å
318	L	96.8	Very high	93.9	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	140.8	171.7	-51.5	165.7	0	0	0	109.6	F223 L287 H297 V299 V316 S322 T324	F223-L318 HydrophobicContact CB-CD1 4.14Å; F223-L318 HydrophobicContact CD2-CD1 3.55Å; F223-L318 HydrophobicContact CE2-CD1 4.25Å; F223-L318 HydrophobicContact CG-CD1 3.99Å; L287-L318 HydrophobicContact CB-CD1 3.94Å; L287-L318 HydrophobicContact CB-CD2 3.9Å; H297-L318 HydrophobicContact CB-CB 4.17Å; H297-L318 PolarHBondContact N-O 2.93Å; H297-L318 PolarHBondContact O-N 3.45Å; V299-L318 HydrophobicContact CG2-CD1 3.69Å; V299-L318 HydrophobicContact CG2-CG 4.31Å; V316-L318 HydrophobicContact CG1-CD2 4.06Å; V316-L318 HydrophobicContact CG1-CG 4.39Å; L318-S322 VanDerWaalsContact CA-OG 3.25Å; L318-S322 WeakPolarHBondContact CA-OG 3.39Å; L318-T324 HydrophobicContact CD2-CG2 3.98Å
319	F	96.3	Very high	93.9	Very high	9 Å²	9	21.8 Å²	21.8	4%	0.039	12%	0.121	C	C	.	.			trans	-127.7	173.1	178	-53.4	-83.2	0	0	0	109.8	G289 D295 M296 A321 S322 F681 T998 E1021 F1023	G289-F319 CarbonylContact C-O 3.45Å; G289-F319 WeakPolarHBondContact CA-O 3.45Å; G289-F319 VanDerWaalsContact O-O 3.05Å; D295-F319 WeakPolarHBondContact O-CA 3.21Å; M296-F319 HydrophobicContact CB-CD1 4.24Å; M296-F319 HydrophobicContact CB-CE1 4.12Å; M296-F319 HydrophobicContact CG-CD1 4.18Å; M296-F319 HydrophobicContact CG-CE1 3.59Å; M296-F319 HydrophobicContact CG-CZ 4.4Å; M296-F319 HydrophobicContact SD-CE1 3.89Å; F319-A321 PolarHBondContact O-N 3.27Å; F319-S322 PolarHBondContact N-OG 2.96Å; F319-S322 VanDerWaalsContact O-CB 3.31Å; F319-S322 WeakPolarHBondContact O-CB 3.42Å; F319-S322 PolarHBondContact O-N 3.34Å; F319-S322 PolarHBondContact O-OG 2.86Å; F319-F681 HydrophobicContact CE1-CD1 4.22Å; F319-F681 AromaticContact CE1-CE1 3.88Å; F319-F681 HydrophobicContact CE1-CE1 3.88Å; F319-F681 HydrophobicContact CE1-CZ 4.05Å; F319-F681 HydrophobicContact CE2-CE2 4.21Å; F319-F681 HydrophobicContact CE2-CZ 4.26Å; F319-F681 HydrophobicContact CZ-CD1 4.08Å; F319-F681 AromaticContact CZ-CD2 3.9Å; F319-F681 HydrophobicContact CZ-CD2 3.9Å; F319-F681 AromaticContact CZ-CE1 3.69Å; F319-F681 HydrophobicContact CZ-CE1 3.69Å; F319-F681 AromaticContact CZ-CE2 3.53Å; F319-F681 HydrophobicContact CZ-CE2 3.53Å; F319-F681 HydrophobicContact CZ-CG 4.15Å; F319-F681 AromaticContact CZ-CZ 3.41Å; F319-F681 HydrophobicContact CZ-CZ 3.41Å; F319-F681 VanDerWaalsContact CZ-CZ 3.41Å; F319-T998 HydrophobicContact CB-CG2 4.14Å; F319-E1021 HydrophobicContact CB-CG 4.26Å; F319-E1021 HydrophobicContact CD2-CB 4.45Å; F319-E1021 HydrophobicContact CD2-CG 3.93Å; F319-E1021 HydrophobicContact CG-CG 4.39Å; F319-F1023 AromaticContact CD1-CE1 3.65Å; F319-F1023 HydrophobicContact CD1-CE1 3.65Å; F319-F1023 AromaticContact CD1-CZ 3.71Å; F319-F1023 HydrophobicContact CD1-CZ 3.71Å; F319-F1023 AromaticContact CD2-CZ 3.76Å; F319-F1023 HydrophobicContact CD2-CZ 3.76Å; F319-F1023 AromaticContact CE1-CE1 3.45Å; F319-F1023 HydrophobicContact CE1-CE1 3.45Å; F319-F1023 VanDerWaalsContact CE1-CE1 3.45Å; F319-F1023 AromaticContact CE1-CZ 3.44Å; F319-F1023 HydrophobicContact CE1-CZ 3.44Å; F319-F1023 VanDerWaalsContact CE1-CZ 3.44Å; F319-F1023 HydrophobicContact CE2-CE1 4.38Å; F319-F1023 HydrophobicContact CE2-CE2 4.29Å; F319-F1023 AromaticContact CE2-CZ 3.52Å; F319-F1023 HydrophobicContact CE2-CZ 3.52Å; F319-F1023 HydrophobicContact CG-CE1 4.19Å; F319-F1023 AromaticContact CG-CZ 3.86Å; F319-F1023 HydrophobicContact CG-CZ 3.86Å; F319-F1023 AromaticContact CZ-CE1 3.87Å; F319-F1023 HydrophobicContact CZ-CE1 3.87Å; F319-F1023 HydrophobicContact CZ-CE2 4.27Å; F319-F1023 AromaticContact CZ-CZ 3.37Å; F319-F1023 HydrophobicContact CZ-CZ 3.37Å
320	P	95.9	Very high	94	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	121.9	179.1	-30.2	40	0	0	0	113.2	N292 D295 S322 I996 T998 V1046	N292-P320 VanDerWaalsContact O-CG 3.23Å; N292-P320 WeakPolarHBondContact O-CG 3.38Å; D295-P320 HydrophobicContact CB-CG 3.96Å; D295-P320 WeakPolarHBondContact O-CD 3.11Å; P320-S322 PolarHBondContact O-N 3.18Å; P320-I996 HydrophobicContact CG-CD1 4.44Å; P320-T998 WeakPolarHBondContact O-CB 3.49Å; P320-T998 WeakPolarHBondContact O-CG2 3.26Å; P320-T998 PolarHBondContact O-OG1 3.01Å; P320-V1046 HydrophobicContact CB-CG2 4.02Å; P320-V1046 HydrophobicContact CG-CG2 3.99Å
321	A	93.1	Very high	94	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	14.9	-172.6	0	0	0	0	0	116.8	F180 G289 F319 S1019 H1045	F180-A321 HydrophobicContact CE1-CB 4.28Å; F180-A321 HydrophobicContact CZ-CB 3.69Å; G289-A321 WeakPolarHBondContact O-CA 3.46Å; G289-A321 PolarHBondContact O-N 3.47Å; F319-A321 PolarHBondContact O-N 3.27Å; A321-S1019 WeakPolarHBondContact O-CB 3.43Å; A321-S1019 PolarHBondContact O-OG 2.85Å; A321-H1045 HydrophobicContact CB-CB 3.36Å
322	S	94.6	Very high	93.9	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.021	10%	0.095	C	C	.	.			trans	-73.3	145.5	162.5	72.6	0	0	0	0	109.7	G289 L318 F319 P320 E1021	G289-S322 PolarHBondContact N-O 2.96Å; L318-S322 VanDerWaalsContact CA-OG 3.25Å; L318-S322 WeakPolarHBondContact CA-OG 3.39Å; F319-S322 PolarHBondContact N-OG 2.96Å; F319-S322 VanDerWaalsContact O-CB 3.31Å; F319-S322 WeakPolarHBondContact O-CB 3.42Å; F319-S322 PolarHBondContact O-N 3.34Å; F319-S322 PolarHBondContact O-OG 2.86Å; P320-S322 PolarHBondContact O-N 3.18Å; S322-E1021 WeakPolarHBondContact CB-OE1 3.4Å
323	S	95.6	Very high	93.8	Very high	23 Å²	23	16.7 Å²	16.7	16%	0.161	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	142.3	171.9	60.9	0	0	0	0	111	T178 L287	T178-S323 PolarHBondContact O-OG 3.31Å; L287-S323 VanDerWaalsContact O-CA 3.29Å; L287-S323 WeakPolarHBondContact O-CA 3.37Å
324	T	95.9	Very high	93.5	Very high	24 Å²	24	16.1 Å²	16.1	15%	0.147	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	162.1	179.1	-170.8	0	0	0	0	111.5	T178 L287 N308 V316 L318	T178-T324 WeakPolarHBondContact CB-O 3.45Å; T178-T324 VanDerWaalsContact OG1-C 3.32Å; T178-T324 PolarHBondContact OG1-O 3.04Å; L287-T324 HydrophobicContact CB-CG2 4.2Å; L287-T324 HydrophobicContact CD1-CG2 4.46Å; L287-T324 PolarHBondContact N-O 3.49Å; L287-T324 PolarHBondContact O-N 3.22Å; N308-T324 PolarHBondContact OD1-OG1 3.22Å; N308-T324 VanDerWaalsContact OD1-OG1 3.08Å; V316-T324 HydrophobicContact CG1-CG2 3.51Å; L318-T324 HydrophobicContact CD2-CG2 3.98Å
325	T	96.1	Very high	93.4	Very high	10 Å²	10	19 Å²	19	6%	0.061	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.7	175.6	-54.7	0	0	0	0	108.3	C176 T178 W285 H286	C176-T325 PolarHBondContact O-OG1 3.24Å; T178-T325 PolarHBondContact N-OG1 3.09Å; T178-T325 PolarHBondContact OG1-OG1 3.33Å; W285-T325 WeakPolarHBondContact O-CA 3.22Å; H286-T325 PolarHBondContact ND1-OG1 2.85Å
326	A	96.3	Very high	93.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135	174.3	0	0	0	0	0	110	W285 L287 L306 T307 V316	W285-A326 HydrophobicContact CB-CB 4.32Å; W285-A326 PolarHBondContact N-O 2.92Å; W285-A326 PolarHBondContact O-N 3.21Å; L287-A326 HydrophobicContact CD1-CB 4.44Å; L306-A326 HydrophobicContact CB-CB 4.5Å; L306-A326 HydrophobicContact CD1-CB 4.38Å; T307-A326 WeakPolarHBondContact O-CA 3.37Å; V316-A326 HydrophobicContact CG2-CB 4.44Å
327	E	95.6	Very high	93.4	Very high	65 Å²	65	18.5 Å²	18.5	30%	0.304	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.7	179.5	-59.6	-178	-176.7	0	0	109.9	L306 T307	L306-E327 CarbonylContact C-O 3.58Å; L306-E327 VanDerWaalsContact CA-O 3.28Å; L306-E327 WeakPolarHBondContact CA-O 3.32Å; T307-E327 PolarHBondContact N-O 3.23Å; T307-E327 PolarHBondContact O-N 2.83Å
328	M	94.6	Very high	93.5	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.025	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144	179.2	-170.1	170.6	76.8	0	0	110.5	K282 I283 W285 Q304 L306 F354	K282-M328 CarbonylContact C-O 3.55Å; K282-M328 WeakPolarHBondContact CA-O 3.36Å; I283-M328 HydrophobicContact CB-CB 4.37Å; I283-M328 HydrophobicContact CD1-CE 3.29Å; I283-M328 HydrophobicContact CG1-CE 4.49Å; I283-M328 PolarHBondContact N-O 2.69Å; I283-M328 PolarHBondContact O-N 2.68Å; W285-M328 HydrophobicContact CZ2-CE 3.75Å; Q304-M328 HydrophobicContact CB-SD 3.59Å; Q304-M328 VanDerWaalsContact CB-SD 3.59Å; Q304-M328 HydrophobicContact CG-CE 4.46Å; Q304-M328 HydrophobicContact CG-SD 3.75Å; L306-M328 HydrophobicContact CD2-CB 3.54Å; L306-M328 HydrophobicContact CD2-CG 3.62Å; L306-M328 HydrophobicContact CD2-SD 3.44Å; L306-M328 WeakPolarHBondContact CD2-SD 3.21Å; M328-F354 HydrophobicContact CE-CE2 4.29Å
329	V	92.8	Very high	93.5	Very high	56 Å²	56	17 Å²	17	34%	0.339	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	112.6	161.8	-177.1	0	0	0	0	107.4	N281 K282 D331	N281-V329 WeakPolarHBondContact O-CA 3.45Å; K282-V329 HydrophobicContact CG-CG2 4.3Å; V329-D331 PolarHBondContact O-N 2.97Å
330	A	91.3	Very high	93.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.095	C	C	.	.			trans	-55.8	124.6	-178.2	0	0	0	0	0	111.2	C278 G280 N281 I283 I356	C278-A330 WeakPolarHBondContact O-CB 3.49Å; G280-A330 PolarHBondContact N-O 2.81Å; N281-A330 PolarHBondContact O-N 2.92Å; I283-A330 HydrophobicContact CD1-CB 3.72Å; A330-I356 HydrophobicContact CB-CD1 4.04Å; A330-I356 HydrophobicContact CB-CG1 4.23Å; A330-I356 HydrophobicContact CB-CG2 4.11Å
331	D	87.8	Confident	93.5	Very high	16 Å²	16	16.7 Å²	16.7	9%	0.086	10%	0.096	C	C	.	.			trans	-139	171.1	176	-143.1	-19.5	0	0	0	111.6	Q279 Q304 V329 I356 K365	Q279-D331 PolarHBondContact NE2-OD1 3.34Å; Q304-D331 PolarHBondContact NE2-O 2.72Å; Q304-D331 PolarHBondContact OE1-O 2.98Å; V329-D331 PolarHBondContact O-N 2.97Å; D331-I356 WeakPolarHBondContact O-CD1 3.42Å; D331-K365 WeakPolarHBondContact OD2-CD 3.43Å; D331-K365 IonicContact OD2-NZ 3.9Å; D331-K365 PolarHBondContact OD2-NZ 3.01Å
332	N	87.3	Confident	93.7	Very high	26 Å²	26	16.7 Å²	16.7	14%	0.139	10%	0.096	C	C	.	.	S	Bend	trans	53.3	85.5	-178.6	-57.9	-47.1	0	0	0	112.9	G303 G334 W336 Y473	G303-N332 PolarHBondContact O-ND2 3.23Å; N332-G334 PolarHBondContact O-N 3.3Å; N332-W336 HydrophobicContact CB-CH2 4.49Å; N332-W336 HydrophobicContact CB-CZ2 3.62Å; N332-W336 PolarHBondContact O-NE1 3.01Å; N332-Y473 PolarHBondContact ND2-O 3.18Å
333	P	88.9	Confident	93.8	Very high	33 Å²	33	16.9 Å²	16.9	21%	0.214	10%	0.097	C	C	.	.			trans	-56.3	135.4	-180	-26.4	35.8	0	0	0	113.3	Q279 I356 K358	Q279-P333 HydrophobicContact CB-CG 4.33Å; Q279-P333 HydrophobicContact CG-CG 4.38Å; P333-I356 CarbonylContact C-O 3.57Å; P333-I356 VanDerWaalsContact CA-O 3.23Å; P333-I356 WeakPolarHBondContact CA-O 3.45Å; P333-K358 HydrophobicContact CB-CD 4.44Å; P333-K358 HydrophobicContact CB-CG 3.82Å; P333-K358 HydrophobicContact CG-CD 4.37Å; P333-K358 HydrophobicContact CG-CG 3.63Å
334	G	88.3	Confident	93.7	Very high	16 Å²	16	18.7 Å²	18.7	17%	0.165	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.8	176	-175.4	0	0	0	0	0	113.1	N332 I356	N332-G334 PolarHBondContact O-N 3.3Å; G334-I356 PolarHBondContact N-O 3.43Å; G334-I356 PolarHBondContact O-N 3.03Å
335	H	89.8	Confident	93.7	Very high	66 Å²	66	17.6 Å²	17.6	31%	0.306	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	119.6	167.4	-66.6	85.5	0	0	0	108.4	I475 N484	H335-I475 WeakPolarHBondContact O-CD1 3.42Å; H335-N484 PolarHBondContact O-ND2 2.87Å; H335-N484 VanDerWaalsContact O-ND2 3.12Å
336	W	93.9	Very high	93.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.8	-174.6	-67.8	102.9	0	0	0	111	H302 N332 L353 F354 Y473 I475	H302-W336 HydrophobicContact CB-CE3 4.18Å; N332-W336 HydrophobicContact CB-CH2 4.49Å; N332-W336 HydrophobicContact CB-CZ2 3.62Å; N332-W336 PolarHBondContact O-NE1 3.01Å; W336-L353 WeakPolarHBondContact O-CA 2.93Å; W336-F354 HydrophobicContact CB-CD1 3.96Å; W336-F354 HydrophobicContact CB-CD2 4.19Å; W336-F354 HydrophobicContact CB-CE1 3.44Å; W336-F354 VanDerWaalsContact CB-CE1 3.44Å; W336-F354 HydrophobicContact CB-CE2 3.69Å; W336-F354 HydrophobicContact CB-CG 4.33Å; W336-F354 HydrophobicContact CB-CZ 3.29Å; W336-F354 HydrophobicContact CG-CE2 4.12Å; W336-F354 AromaticContact CG-CZ 3.99Å; W336-F354 HydrophobicContact CG-CZ 3.99Å; W336-F354 PolarHBondContact N-O 2.55Å; W336-F354 WeakPolarHBondContact O-CD1 3.29Å; W336-F354 PolarHBondContact O-N 3.14Å; W336-Y473 HydrophobicContact CH2-CD2 4.2Å; W336-Y473 HydrophobicContact CH2-CE2 4.26Å; W336-Y473 VanDerWaalsContact CH2-O 3.31Å; W336-Y473 WeakPolarHBondContact CH2-O 3.17Å; W336-Y473 HydrophobicContact CZ3-CD2 4.12Å; W336-Y473 AromaticContact CZ3-CE2 3.72Å; W336-Y473 HydrophobicContact CZ3-CE2 3.72Å; W336-I475 HydrophobicContact CD2-CD1 4.02Å; W336-I475 HydrophobicContact CE3-CD1 3.7Å; W336-I475 HydrophobicContact CH2-CB 4.24Å; W336-I475 HydrophobicContact CH2-CD1 3.81Å; W336-I475 HydrophobicContact CZ2-CB 4.33Å; W336-I475 HydrophobicContact CZ2-CD1 4.1Å; W336-I475 HydrophobicContact CZ3-CD1 3.59Å
337	L	95	Very high	93.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	137	172.5	-76.2	177.9	0	0	0	111.4	I43 H302 T339 L353 F354 T480 Y482	I43-L337 HydrophobicContact CD1-CD2 3.84Å; I43-L337 HydrophobicContact CG2-CD2 4.02Å; H302-L337 HydrophobicContact CB-CB 4.15Å; H302-L337 WeakPolarHBondContact CB-O 3.15Å; H302-L337 VanDerWaalsContact CD2-CB 3.46Å; H302-L337 WeakPolarHBondContact CD2-CB 3.48Å; H302-L337 PolarHBondContact CD2-O 2.79Å; H302-L337 PolarHBondContact N-O 2.82Å; H302-L337 VanDerWaalsContact N-O 3.11Å; L337-T339 HydrophobicContact CB-CG2 4.16Å; L337-L353 HydrophobicContact CD2-CD2 3.71Å; L337-L353 HydrophobicContact CG-CD2 4.41Å; L337-F354 WeakPolarHBondContact O-CE1 3.48Å; L337-T480 HydrophobicContact CD1-CG2 3.75Å; L337-Y482 HydrophobicContact CD1-CD1 3.24Å; L337-Y482 HydrophobicContact CD1-CD2 4.11Å; L337-Y482 HydrophobicContact CD1-CE1 3.49Å; L337-Y482 VanDerWaalsContact CD1-CE1 3.49Å; L337-Y482 HydrophobicContact CD1-CE2 4.31Å; L337-Y482 HydrophobicContact CD1-CG 3.57Å; L337-Y482 HydrophobicContact CD2-CD2 3.92Å; L337-Y482 HydrophobicContact CD2-CE2 4.29Å; L337-Y482 HydrophobicContact CD2-CG 4.03Å; L337-Y482 HydrophobicContact CG-CD1 3.83Å; L337-Y482 HydrophobicContact CG-CD2 3.8Å; L337-Y482 HydrophobicContact CG-CE1 3.81Å; L337-Y482 HydrophobicContact CG-CE2 3.78Å; L337-Y482 HydrophobicContact CG-CG 3.81Å
338	L	97.1	Very high	93.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.5	162.8	173.7	64	0	0	0	107.3	L221 F223 I264 L275 V299 H300 F301 Q351 A352 F354	L221-L338 HydrophobicContact CD1-CD2 3.56Å; F223-L338 HydrophobicContact CZ-CD2 4.44Å; F223-L338 HydrophobicContact CZ-CG 4.49Å; I264-L338 HydrophobicContact CD1-CD2 4.43Å; I264-L338 HydrophobicContact CD1-CG 4.38Å; L275-L338 HydrophobicContact CD1-CD2 4.41Å; V299-L338 HydrophobicContact CG1-CD1 3.56Å; H300-L338 WeakPolarHBondContact O-CA 3.48Å; F301-L338 HydrophobicContact CD1-CD1 3.8Å; F301-L338 HydrophobicContact CD2-CD1 3.88Å; F301-L338 HydrophobicContact CE1-CD1 3.63Å; F301-L338 HydrophobicContact CE1-CD2 4.48Å; F301-L338 HydrophobicContact CE2-CD1 3.77Å; F301-L338 HydrophobicContact CG-CD1 3.94Å; F301-L338 HydrophobicContact CZ-CD1 3.63Å; L338-Q351 CarbonylContact O-C 3.56Å; L338-Q351 WeakPolarHBondContact O-CA 3.38Å; L338-A352 HydrophobicContact CB-CB 4.3Å; L338-A352 HydrophobicContact CD2-CB 4.38Å; L338-A352 PolarHBondContact N-O 3.29Å; L338-A352 PolarHBondContact O-N 2.75Å; L338-F354 HydrophobicContact CB-CD1 3.93Å; L338-F354 HydrophobicContact CB-CE1 4.21Å
339	T	96.6	Very high	93.6	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.018	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	146.2	-171.5	56.2	0	0	0	0	111.6	V299 H300 H302 L337 L346 Q351	V299-T339 CarbonylContact C-O 3.59Å; V299-T339 WeakPolarHBondContact CA-O 3.42Å; H300-T339 PolarHBondContact N-O 2.82Å; H300-T339 PolarHBondContact O-N 3.46Å; H302-T339 PolarHBondContact NE2-OG1 3.24Å; L337-T339 HydrophobicContact CB-CG2 4.16Å; T339-L346 HydrophobicContact CG2-CD1 4.11Å; T339-Q351 HydrophobicContact CG2-CB 4.25Å; T339-Q351 HydrophobicContact CG2-CG 3.94Å
340	C	97.6	Very high	93.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125	153.4	-171.4	0	0	0	0	108.1	H297 S298 H345 L346 M350	H297-C340 VanDerWaalsContact CA-SG 3.59Å; S298-C340 CarbonylContact O-C 3.5Å; S298-C340 WeakPolarHBondContact O-CA 3.27Å; C340-H345 HydrophobicContact CB-CB 4.16Å; C340-L346 WeakPolarHBondContact O-CB 3.31Å; C340-L346 WeakPolarHBondContact O-CD1 3.04Å; C340-M350 HydrophobicContact CB-CB 3.94Å; C340-M350 HydrophobicContact CB-CG 3.74Å; C340-M350 HydrophobicContact CB-SD 3.48Å; C340-M350 WeakPolarHBondContact CB-SD 3.31Å; C340-M350 PolarHBondContact N-O 3.37Å
341	T	95.9	Very high	94.1	Very high	4 Å²	4	15.7 Å²	15.7	3%	0.025	9%	0.089	C	C	.	.			trans	-99.5	16	-177.2	59.7	0	0	0	0	113.4	S298 H300 M315	S298-T341 WeakPolarHBondContact CB-OG1 3.46Å; S298-T341 PolarHBondContact O-N 3.11Å; S298-T341 PolarHBondContact O-OG1 2.63Å; H300-T341 HydrophobicContact CB-CG2 3.71Å; M315-T341 HydrophobicContact CE-CG2 3.92Å
342	V	97.1	Very high	94.6	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-71.1	128.7	161.5	176.2	0	0	0	0	107.4	M296 D344 H345 L346 T654 E655 P682	M296-V342 WeakPolarHBondContact O-CG2 3.34Å; V342-D344 PolarHBondContact O-N 3.4Å; V342-H345 HydrophobicContact CB-CB 4.13Å; V342-H345 HydrophobicContact CG1-CB 4.5Å; V342-H345 PolarHBondContact O-N 2.91Å; V342-L346 WeakPolarHBondContact O-CB 3.14Å; V342-L346 PolarHBondContact O-N 3.43Å; V342-T654 VanDerWaalsContact CG1-C 3.45Å; V342-E655 HydrophobicContact CG1-CB 4.2Å; V342-E655 VanDerWaalsContact CG1-N 3.27Å; V342-P682 HydrophobicContact CG2-CB 4.22Å; V342-P682 HydrophobicContact CG2-CG 4.07Å
343	N	95.6	Very high	95	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.032	9%	0.087	C	C	.	.	H	α-helix	trans	-52.2	-51.3	-166.9	-76.8	-11.3	0	0	0	113.1	L346 T347 V550 G653 T654	N343-L346 WeakPolarHBondContact O-CB 3.22Å; N343-L346 PolarHBondContact O-N 2.94Å; N343-T347 PolarHBondContact O-N 2.75Å; N343-T347 VanDerWaalsContact O-N 3.14Å; N343-T347 PolarHBondContact O-OG1 3.46Å; N343-V550 HydrophobicContact CB-CG1 4Å; N343-V550 HydrophobicContact CB-CG2 3.89Å; N343-G653 WeakPolarHBondContact CB-O 3.28Å; N343-G653 PolarHBondContact N-O 2.97Å; N343-G653 PolarHBondContact OD1-O 3.43Å; N343-T654 HydrophobicContact CB-CG2 3.95Å
344	D	93.6	Very high	95.3	Very high	62 Å²	62	14 Å²	14	33%	0.332	8%	0.078	S	C	.	.	H	α-helix	trans	-73.8	-34.2	-174.4	-63.1	-12.8	0	0	0	111.4	V342 L346 T347 A348	V342-D344 PolarHBondContact O-N 3.4Å; D344-L346 VanDerWaalsContact C-N 3.34Å; D344-L346 PolarHBondContact O-N 2.92Å; D344-T347 PolarHBondContact O-OG1 2.85Å; D344-A348 WeakPolarHBondContact O-CB 3.35Å; D344-A348 PolarHBondContact O-N 3.43Å
345	H	96.9	Very high	95.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66	-37.5	173	-61.7	178.6	0	0	0	112.4	H262 V294 M296 H297 C340 V342 G349 M350	H262-H345 AromaticContact CD2-CD2 3.52Å; H262-H345 AromaticContact NE2-CD2 3.95Å; V294-H345 PolarHBondContact O-CE1 3.09Å; V294-H345 PolarHBondContact O-NE2 3.12Å; M296-H345 PolarHBondContact O-CE1 3.45Å; M296-H345 PolarHBondContact O-ND1 3.47Å; H297-H345 AromaticContact CE1-CE1 3.46Å; H297-H345 PolarHBondContact CE1-CE1 3.37Å; H297-H345 VanDerWaalsContact CE1-CE1 3.46Å; H297-H345 AromaticContact CE1-ND1 3.49Å; H297-H345 PolarHBondContact CE1-ND1 3.46Å; H297-H345 AromaticContact ND1-CE1 3.59Å; H297-H345 AromaticContact ND1-ND1 3.22Å; H297-H345 PolarHBondContact ND1-ND1 2.61Å; C340-H345 HydrophobicContact CB-CB 4.16Å; V342-H345 HydrophobicContact CB-CB 4.13Å; V342-H345 HydrophobicContact CG1-CB 4.5Å; V342-H345 PolarHBondContact O-N 2.91Å; H345-G349 PolarHBondContact O-N 3.12Å; H345-M350 HydrophobicContact CB-CB 4.21Å; H345-M350 HydrophobicContact CB-CE 4.42Å; H345-M350 HydrophobicContact CB-SD 4.4Å; H345-M350 VanDerWaalsContact O-CB 3.23Å; H345-M350 WeakPolarHBondContact O-CB 3.09Å; H345-M350 PolarHBondContact O-N 3.44Å
346	L	95.4	Very high	95.6	Very high	19 Å²	19	13.2 Å²	13.2	10%	0.099	7%	0.07	C	C	.	.	H	α-helix	trans	-66.3	-46.8	-179.9	-178.5	62.5	0	0	0	110.9	T339 C340 V342 N343 D344 G349 Q351 P549 V550	T339-L346 HydrophobicContact CG2-CD1 4.11Å; C340-L346 WeakPolarHBondContact O-CB 3.31Å; C340-L346 WeakPolarHBondContact O-CD1 3.04Å; V342-L346 WeakPolarHBondContact O-CB 3.14Å; V342-L346 PolarHBondContact O-N 3.43Å; N343-L346 WeakPolarHBondContact O-CB 3.22Å; N343-L346 PolarHBondContact O-N 2.94Å; D344-L346 VanDerWaalsContact C-N 3.34Å; D344-L346 PolarHBondContact O-N 2.92Å; L346-G349 PolarHBondContact O-N 3.01Å; L346-Q351 HydrophobicContact CD1-CG 3.85Å; L346-P549 HydrophobicContact CD2-CB 4.3Å; L346-P549 HydrophobicContact CD2-CG 3.47Å; L346-P549 VanDerWaalsContact CD2-CG 3.47Å; L346-V550 HydrophobicContact CD2-CG2 4.45Å
347	T	94.3	Very high	95.5	Very high	48 Å²	48	16.8 Å²	16.8	29%	0.294	9%	0.086	S	C	.	.	H	α-helix	trans	-70.4	-36.2	178.7	52.5	0	0	0	0	112	Y269 N343 D344 G349 V550	Y269-T347 WeakPolarHBondContact CE1-O 3.24Å; Y269-T347 PolarHBondContact OH-O 3.22Å; N343-T347 PolarHBondContact O-N 2.75Å; N343-T347 VanDerWaalsContact O-N 3.14Å; N343-T347 PolarHBondContact O-OG1 3.46Å; D344-T347 PolarHBondContact O-OG1 2.85Å; T347-G349 PolarHBondContact O-N 2.95Å; T347-V550 HydrophobicContact CG2-CG2 3.9Å
348	A	96	Very high	95.1	Very high	5 Å²	5	22.1 Å²	22.1	4%	0.041	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	0.3	173.6	0	0	0	0	0	114.2	F57 H262 Y269 D344	F57-A348 HydrophobicContact CE2-CB 3.8Å; F57-A348 HydrophobicContact CZ-CB 3.73Å; H262-A348 HydrophobicContact CB-CB 3.76Å; H262-A348 VanDerWaalsContact CG-CB 3.43Å; H262-A348 WeakPolarHBondContact ND1-CB 3.14Å; Y269-A348 VanDerWaalsContact OH-C 3.27Å; Y269-A348 PolarHBondContact OH-O 3.32Å; D344-A348 WeakPolarHBondContact O-CB 3.35Å; D344-A348 PolarHBondContact O-N 3.43Å
349	G	95.1	Very high	94.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	21	164.9	0	0	0	0	0	115.7	H262 L268 Y269 H345 L346 T347 Q351	H262-G349 CarbonylContact O-C 3.51Å; L268-G349 CarbonylContact C-O 3.37Å; Y269-G349 VanDerWaalsContact CD1-CA 3.46Å; Y269-G349 PolarHBondContact N-O 2.97Å; H345-G349 PolarHBondContact O-N 3.12Å; L346-G349 PolarHBondContact O-N 3.01Å; T347-G349 PolarHBondContact O-N 2.95Å; G349-Q351 PolarHBondContact O-N 3.35Å
350	M	97.9	Very high	93.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.161	C	C	.	.			trans	-73.9	69.7	175	-164.5	175.3	-66.5	0	0	111.7	F223 V225 H262 I264 H297 C340 H345	F223-M350 HydrophobicContact CB-SD 4.4Å; F223-M350 HydrophobicContact CD1-CG 4.28Å; F223-M350 HydrophobicContact CD1-SD 3.82Å; V225-M350 HydrophobicContact CG2-CE 4.15Å; H262-M350 HydrophobicContact CB-CB 4.35Å; H262-M350 HydrophobicContact CB-CE 3.95Å; H262-M350 VanDerWaalsContact O-CA 3.26Å; H262-M350 WeakPolarHBondContact O-CA 3.44Å; H262-M350 WeakPolarHBondContact O-CB 3.47Å; H262-M350 PolarHBondContact O-N 2.74Å; I264-M350 HydrophobicContact CG1-CG 3.94Å; H297-M350 VanDerWaalsContact CE1-CE 3.5Å; H297-M350 WeakPolarHBondContact CE1-CE 3.29Å; H297-M350 PolarHBondContact ND1-SD 3.24Å; C340-M350 HydrophobicContact CB-CB 3.94Å; C340-M350 HydrophobicContact CB-CG 3.74Å; C340-M350 HydrophobicContact CB-SD 3.48Å; C340-M350 WeakPolarHBondContact CB-SD 3.31Å; C340-M350 PolarHBondContact N-O 3.37Å; H345-M350 HydrophobicContact CB-CB 4.21Å; H345-M350 HydrophobicContact CB-CE 4.42Å; H345-M350 HydrophobicContact CB-SD 4.4Å; H345-M350 VanDerWaalsContact O-CB 3.23Å; H345-M350 WeakPolarHBondContact O-CB 3.09Å; H345-M350 PolarHBondContact O-N 3.44Å
351	Q	97.1	Very high	92.4	Very high	25 Å²	25	37.7 Å²	37.7	12%	0.117	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	143.3	-172.2	-53.9	-176.1	-76.4	0	0	110.9	I43 G270 L338 T339 L346 G349	I43-Q351 HydrophobicContact CD1-CB 4.14Å; I43-Q351 HydrophobicContact CG1-CB 3.9Å; G270-Q351 VanDerWaalsContact CA-O 3.31Å; G270-Q351 WeakPolarHBondContact CA-O 3.48Å; G270-Q351 PolarHBondContact N-O 2.9Å; L338-Q351 CarbonylContact O-C 3.56Å; L338-Q351 WeakPolarHBondContact O-CA 3.38Å; T339-Q351 HydrophobicContact CG2-CB 4.25Å; T339-Q351 HydrophobicContact CG2-CG 3.94Å; L346-Q351 HydrophobicContact CD1-CG 3.85Å; G349-Q351 PolarHBondContact O-N 3.35Å
352	A	97.3	Very high	90.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	165.1	173.6	0	0	0	0	0	110.8	I264 L272 L338	I264-A352 HydrophobicContact CD1-CB 3.87Å; L272-A352 HydrophobicContact CB-CB 3.99Å; L272-A352 HydrophobicContact CD2-CB 3.84Å; L272-A352 HydrophobicContact CG-CB 4.43Å; L338-A352 HydrophobicContact CB-CB 4.3Å; L338-A352 HydrophobicContact CD2-CB 4.38Å; L338-A352 PolarHBondContact N-O 3.29Å; L338-A352 PolarHBondContact O-N 2.75Å
353	L	95.1	Very high	89.4	Confident	33 Å²	33	46 Å²	46	17%	0.173	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.2	170.1	-69.3	167.3	0	0	0	109.1	V42 I43 W336 L337 Y482	V42-L353 HydrophobicContact CG1-CD1 4.03Å; I43-L353 HydrophobicContact CD1-CD1 4.23Å; I43-L353 HydrophobicContact CD1-CD2 4.2Å; I43-L353 HydrophobicContact CD1-CG 3.82Å; W336-L353 WeakPolarHBondContact O-CA 2.93Å; L337-L353 HydrophobicContact CD2-CD2 3.71Å; L337-L353 HydrophobicContact CG-CD2 4.41Å; L353-Y482 HydrophobicContact CD2-CD2 4.43Å; L353-Y482 HydrophobicContact CD2-CE2 4.41Å
354	F	95.2	Very high	87.7	Confident	7 Å²	7	54.2 Å²	54.2	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	146.5	168.1	68.7	-83	0	0	0	110.8	L275 F301 Q304 M328 W336 L337 L338 I356	L275-F354 HydrophobicContact CB-CB 3.71Å; L275-F354 HydrophobicContact CD1-CB 4.28Å; L275-F354 WeakPolarHBondContact O-CA 2.9Å; F301-F354 HydrophobicContact CD1-CE1 4.38Å; F301-F354 HydrophobicContact CD1-CZ 4.45Å; Q304-F354 HydrophobicContact CG-CE2 4.02Å; Q304-F354 HydrophobicContact CG-CZ 3.81Å; M328-F354 HydrophobicContact CE-CE2 4.29Å; W336-F354 HydrophobicContact CB-CD1 3.96Å; W336-F354 HydrophobicContact CB-CD2 4.19Å; W336-F354 HydrophobicContact CB-CE1 3.44Å; W336-F354 VanDerWaalsContact CB-CE1 3.44Å; W336-F354 HydrophobicContact CB-CE2 3.69Å; W336-F354 HydrophobicContact CB-CG 4.33Å; W336-F354 HydrophobicContact CB-CZ 3.29Å; W336-F354 HydrophobicContact CG-CE2 4.12Å; W336-F354 AromaticContact CG-CZ 3.99Å; W336-F354 HydrophobicContact CG-CZ 3.99Å; W336-F354 PolarHBondContact N-O 2.55Å; W336-F354 WeakPolarHBondContact O-CD1 3.29Å; W336-F354 PolarHBondContact O-N 3.14Å; L337-F354 WeakPolarHBondContact O-CE1 3.48Å; L338-F354 HydrophobicContact CB-CD1 3.93Å; L338-F354 HydrophobicContact CB-CE1 4.21Å; F354-I356 HydrophobicContact CD2-CG1 4.26Å; F354-I356 HydrophobicContact CE2-CD1 3.96Å; F354-I356 HydrophobicContact CE2-CG1 4.17Å
355	E	93.6	Very high	86.3	Confident	60 Å²	60	55.4 Å²	55.4	28%	0.28	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.5	-173.8	-169.9	-171	173.4	0	0	111.2	L275 S276 A277 K357	L275-E355 PolarHBondContact O-N 2.69Å; S276-E355 CarbonylContact C-O 3.44Å; S276-E355 VanDerWaalsContact CA-O 3.24Å; S276-E355 WeakPolarHBondContact CA-O 3.21Å; A277-E355 PolarHBondContact N-O 2.83Å; E355-K357 HydrophobicContact CG-CG 4.04Å; E355-K357 WeakPolarHBondContact OE1-CE 3.34Å; E355-K357 WeakPolarHBondContact OE1-CG 3.33Å; E355-K357 WeakPolarHBondContact OE2-CE 3.28Å; E355-K357 IonicContact OE2-NZ 2.64Å; E355-K357 PolarHBondContact OE2-NZ 3.46Å
356	I	92.3	Very high	84.7	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	114	168.7	-62.9	177.6	0	0	0	109	A277 Q279 Q304 A330 D331 P333 G334 F354	A277-I356 CarbonylContact O-C 3.58Å; A277-I356 WeakPolarHBondContact O-CA 3.25Å; Q279-I356 HydrophobicContact CB-CG2 4.17Å; Q304-I356 VanDerWaalsContact CD-CD1 3.5Å; Q304-I356 HydrophobicContact CG-CD1 4.33Å; Q304-I356 VanDerWaalsContact NE2-CD1 3.31Å; A330-I356 HydrophobicContact CB-CD1 4.04Å; A330-I356 HydrophobicContact CB-CG1 4.23Å; A330-I356 HydrophobicContact CB-CG2 4.11Å; D331-I356 WeakPolarHBondContact O-CD1 3.42Å; P333-I356 CarbonylContact C-O 3.57Å; P333-I356 VanDerWaalsContact CA-O 3.23Å; P333-I356 WeakPolarHBondContact CA-O 3.45Å; G334-I356 PolarHBondContact N-O 3.43Å; G334-I356 PolarHBondContact O-N 3.03Å; F354-I356 HydrophobicContact CD2-CG1 4.26Å; F354-I356 HydrophobicContact CE2-CD1 3.96Å; F354-I356 HydrophobicContact CE2-CG1 4.17Å
357	K	90	Very high	83.3	Confident	76 Å²	76	66.9 Å²	66.9	33%	0.33	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	148	-174.9	-67.4	173.2	-178.9	163.4	0	112	S276 A277 Q279 E355 C359	S276-K357 PolarHBondContact OG-NZ 3.12Å; A277-K357 PolarHBondContact O-N 3.33Å; Q279-K357 PolarHBondContact N-O 2.83Å; E355-K357 HydrophobicContact CG-CG 4.04Å; E355-K357 WeakPolarHBondContact OE1-CE 3.34Å; E355-K357 WeakPolarHBondContact OE1-CG 3.33Å; E355-K357 WeakPolarHBondContact OE2-CE 3.28Å; E355-K357 IonicContact OE2-NZ 2.64Å; E355-K357 PolarHBondContact OE2-NZ 3.46Å; K357-C359 PolarHBondContact O-N 2.91Å
358	K	87	Confident	82.1	Confident	113 Å²	113	66 Å²	66	49%	0.491	33%	0.329	S	S	.	.			trans	-79.8	106.1	163.2	-67.8	172.6	-172.1	134.2	0	108.8	P333 E487	P333-K358 HydrophobicContact CB-CD 4.44Å; P333-K358 HydrophobicContact CB-CG 3.82Å; P333-K358 HydrophobicContact CG-CD 4.37Å; P333-K358 HydrophobicContact CG-CG 3.63Å; K358-E487 IonicContact NZ-OE2 2.81Å; K358-E487 PolarHBondContact NZ-OE2 2.84Å
359	C	84.8	Confident	81	Confident	37 Å²	37	74.3 Å²	74.3	25%	0.25	37%	0.367	C	S	.	.			trans	-107.5	154.2	179.8	-58.2	0	0	0	0	111.3	C278 K357 P361 N362	C278-C359 VanDerWaalsContact CA-SG 3.53Å; C278-C359 HydrophobicContact CB-CB 3.48Å; C278-C359 VanDerWaalsContact CB-CB 3.48Å; C278-C359 WeakPolarHBondContact CB-SG 3.16Å; C278-C359 WeakPolarHBondContact SG-CB 3.44Å; C278-C359 CovalentContact SG-SG 2.01Å; C278-C359 PolarHBondContact SG-SG 3.3Å; K357-C359 PolarHBondContact O-N 2.91Å; C359-P361 CarbonylContact O-C 3.54Å; C359-P361 VanDerWaalsContact O-O 3.13Å; C359-N362 PolarHBondContact O-N 2.8Å; C359-N362 PolarHBondContact O-OD1 2.93Å
360	F	75.8	Confident	80.5	Confident	197 Å²	197	76.2 Å²	76.2	86%	0.864	39%	0.386	S	S	*	.	S	Bend	trans	-88.2	132.7	178	-171.7	-90.3	0	0	0	110.9
361	P	74.3	Confident	80.2	Confident	96 Å²	96	81.8 Å²	81.8	62%	0.623	41%	0.412	S	S	*	.	S	Bend	cis	-75.9	139.3	0.3	31.3	-34.3	0	0	0	112.6	C359 V363	C359-P361 CarbonylContact O-C 3.54Å; C359-P361 VanDerWaalsContact O-O 3.13Å; P361-V363 PolarHBondContact O-N 2.82Å
362	N	62.8	Low	80.1	Confident	111 Å²	111	85.4 Å²	85.4	59%	0.594	43%	0.431	S	S	*	.			trans	-62.9	113.3	178.8	-75.8	-20.7	0	0	0	110.2	C359 H364	C359-N362 PolarHBondContact O-N 2.8Å; C359-N362 PolarHBondContact O-OD1 2.93Å; N362-H364 PolarHBondContact O-N 2.76Å
363	V	66.4	Low	79.9	Confident	67 Å²	67	87.8 Å²	87.8	41%	0.406	44%	0.44	S	S	.	.			trans	-81	102.1	172.9	-176.8	0	0	0	0	108.1	P361 K365	P361-V363 PolarHBondContact O-N 2.82Å; V363-K365 HydrophobicContact CG1-CG 4.45Å; V363-K365 PolarHBondContact O-N 2.91Å
364	H	61.6	Low	80	Confident	178 Å²	178	90.6 Å²	90.6	82%	0.824	45%	0.453	S	S	*	.			trans	-86.8	105.9	172.6	-143.8	65.3	0	0	0	109.1	N362	N362-H364 PolarHBondContact O-N 2.76Å
365	K	64	Low	80.1	Confident	87 Å²	87	91.4 Å²	91.4	38%	0.378	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-83.7	121.2	168.1	-75.2	-177.1	-174.8	171.1	0	108.8	D331 V363 R367	D331-K365 WeakPolarHBondContact OD2-CD 3.43Å; D331-K365 IonicContact OD2-NZ 3.9Å; D331-K365 PolarHBondContact OD2-NZ 3.01Å; V363-K365 HydrophobicContact CG1-CG 4.45Å; V363-K365 PolarHBondContact O-N 2.91Å; K365-R367 PolarHBondContact O-N 2.86Å
366	P	62.3	Low	80.3	Confident	115 Å²	115	89.9 Å²	89.9	75%	0.747	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-61	130.8	172.2	24.4	-30.1	0	0	0	108.7
367	R	67.3	Low	80.6	Confident	146 Å²	146	89.7 Å²	89.7	55%	0.551	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-60.3	139	173.8	-75	-170.8	-179.5	-175.9	-0.7	109	K365 H369	K365-R367 PolarHBondContact O-N 2.86Å; R367-H369 PolarHBondContact O-N 2.92Å
368	P	68.9	Low	81	Confident	28 Å²	28	86 Å²	86	18%	0.182	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-56.5	140.1	177.9	-18.8	28.7	0	0	0	111.3	K449	P368-K449 VanDerWaalsContact CB-CA 3.49Å; P368-K449 HydrophobicContact CB-CB 3.66Å; P368-K449 HydrophobicContact CB-CG 3.99Å
369	H	71.3	Confident	81.6	Confident	181 Å²	181	80.7 Å²	80.7	84%	0.838	41%	0.409	S	S	*	.			trans	-109.6	88	173.1	-73.2	-57.3	0	0	0	109.5	R367	R367-H369 PolarHBondContact O-N 2.92Å
370	G	85.3	Confident	82.1	Confident	39 Å²	39	79.8 Å²	79.8	40%	0.402	40%	0.401	S	S	.	.			trans	-109.3	-160.1	169.4	0	0	0	0	0	112.4	K449	G370-K449 WeakPolarHBondContact CA-O 3.46Å; G370-K449 PolarHBondContact N-O 2.86Å
371	E	92	Very high	83.2	Confident	118 Å²	118	73.2 Å²	73.2	55%	0.551	37%	0.373	S	S	*	.			trans	-75.5	146.8	175.6	-65.5	-167.8	156.7	0	0	111.2	R373 D450 T451	E371-R373 PolarHBondContact O-N 2.92Å; E371-R373 IonicContact OE2-CZ 3.87Å; E371-R373 IonicContact OE2-NH1 3.15Å; E371-R373 PolarHBondContact OE2-NH1 2.79Å; E371-R373 IonicContact OE2-NH2 2.78Å; E371-R373 PolarHBondContact OE2-NH2 3.31Å; E371-D450 PolarHBondContact N-OD1 3Å; E371-D450 WeakPolarHBondContact O-CA 3.31Å; E371-D450 WeakPolarHBondContact O-CB 3.46Å; E371-T451 PolarHBondContact O-N 3.23Å
372	L	94.2	Very high	84.3	Confident	100 Å²	100	70.9 Å²	70.9	52%	0.524	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	112.1	170.6	-179.6	66.8	0	0	0	109.4	T451 K453	L372-T451 HydrophobicContact CD1-CG2 4.07Å; L372-K453 HydrophobicContact CD1-CB 3.83Å; L372-K453 HydrophobicContact CD1-CD 4.34Å
373	R	94.8	Very high	85.9	Confident	50 Å²	50	69.1 Å²	69.1	19%	0.189	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	102.5	176	-56.7	-70	-176.8	-151	-8.8	109.3	E371 F375 A446 D450 T451 I452 K453	E371-R373 PolarHBondContact O-N 2.92Å; E371-R373 IonicContact OE2-CZ 3.87Å; E371-R373 IonicContact OE2-NH1 3.15Å; E371-R373 PolarHBondContact OE2-NH1 2.79Å; E371-R373 IonicContact OE2-NH2 2.78Å; E371-R373 PolarHBondContact OE2-NH2 3.31Å; R373-F375 HydrophobicContact CB-CE2 3.75Å; R373-F375 HydrophobicContact CB-CZ 4.34Å; R373-A446 HydrophobicContact CG-CB 4.34Å; R373-D450 HydrophobicContact CG-CB 4.14Å; R373-D450 IonicContact CZ-OD2 2.6Å; R373-D450 VanDerWaalsContact CZ-OD2 3.23Å; R373-D450 IonicContact NE-OD2 3.46Å; R373-D450 PolarHBondContact NE-OD2 3.01Å; R373-D450 IonicContact NH2-OD2 3.89Å; R373-D450 PolarHBondContact NH2-OD2 3.16Å; R373-T451 PolarHBondContact N-O 3.25Å; R373-I452 WeakPolarHBondContact O-CA 3.34Å; R373-K453 PolarHBondContact O-N 3.44Å
374	Q	96.2	Very high	87.5	Confident	92 Å²	92	67 Å²	67	43%	0.43	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	130.6	-175.1	-165.9	177.2	-80.7	0	0	112	F376 K453 I455	Q374-F376 HydrophobicContact CG-CZ 4.45Å; Q374-K453 CarbonylContact C-O 3.16Å; Q374-K453 WeakPolarHBondContact CA-O 3.38Å; Q374-K453 HydrophobicContact CG-CB 4.48Å; Q374-K453 HydrophobicContact CG-CD 4.5Å; Q374-I455 HydrophobicContact CG-CD1 3.44Å; Q374-I455 VanDerWaalsContact CG-CD1 3.44Å
375	F	97.3	Very high	89.2	Confident	24 Å²	24	60.5 Å²	60.5	11%	0.105	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.1	-179.8	-58.5	-89.1	0	0	0	111.2	R373 I377 L444 I452 K453 I455	R373-F375 HydrophobicContact CB-CE2 3.75Å; R373-F375 HydrophobicContact CB-CZ 4.34Å; F375-I377 HydrophobicContact CB-CD1 4.46Å; F375-I377 HydrophobicContact CB-CG1 4.42Å; F375-L444 HydrophobicContact CB-CD2 3.97Å; F375-L444 HydrophobicContact CD1-CD2 3.55Å; F375-L444 HydrophobicContact CD2-CD2 3.63Å; F375-L444 HydrophobicContact CE1-CD2 3.86Å; F375-L444 HydrophobicContact CE2-CD2 3.93Å; F375-L444 HydrophobicContact CG-CD2 3.42Å; F375-L444 VanDerWaalsContact CG-CD2 3.42Å; F375-L444 HydrophobicContact CZ-CD2 4.05Å; F375-I452 HydrophobicContact CD2-CG2 4.06Å; F375-I452 HydrophobicContact CE2-CG2 4.07Å; F375-K453 PolarHBondContact N-O 2.99Å; F375-I455 WeakPolarHBondContact O-CD1 3.47Å; F375-I455 PolarHBondContact O-N 3.14Å
376	F	98.3	Very high	90.8	Very high	28 Å²	28	56.4 Å²	56.4	12%	0.123	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	108.8	174.5	-53.1	-86	0	0	0	108.9	Q374 E418 Y419 L420 D421 N422 F424 I455	Q374-F376 HydrophobicContact CG-CZ 4.45Å; F376-E418 CarbonylContact O-C 3.55Å; F376-E418 WeakPolarHBondContact O-CA 3.42Å; F376-Y419 PolarHBondContact O-N 3.36Å; F376-L420 WeakPolarHBondContact CE2-O 3.47Å; F376-D421 VanDerWaalsContact CD1-C 3.41Å; F376-N422 HydrophobicContact CD1-CB 4.06Å; F376-N422 HydrophobicContact CE1-CB 3.75Å; F376-N422 VanDerWaalsContact CE1-N 3.32Å; F376-F424 HydrophobicContact CB-CE1 4.12Å; F376-F424 HydrophobicContact CB-CZ 4.33Å; F376-I455 HydrophobicContact CD1-CB 3.83Å; F376-I455 HydrophobicContact CD1-CD1 3.99Å; F376-I455 HydrophobicContact CD1-CG1 4.12Å; F376-I455 HydrophobicContact CD1-CG2 4.33Å; F376-I455 HydrophobicContact CE1-CB 4.33Å; F376-I455 HydrophobicContact CE1-CD1 3.83Å; F376-I455 HydrophobicContact CE1-CG1 4.12Å
377	I	98.5	Very high	92.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	139.8	-173	-62.4	-177.8	0	0	0	109.6	F375 Y416 V417 F424 P442 L444 V454 I455 F456 K457 I466	F375-I377 HydrophobicContact CB-CD1 4.46Å; F375-I377 HydrophobicContact CB-CG1 4.42Å; I377-Y416 HydrophobicContact CG2-CD1 3.65Å; I377-Y416 HydrophobicContact CG2-CG 4.1Å; I377-V417 CarbonylContact C-O 3.57Å; I377-V417 WeakPolarHBondContact CA-O 3.49Å; I377-F424 WeakPolarHBondContact O-CE1 3.46Å; I377-P442 HydrophobicContact CD1-CG 3.68Å; I377-P442 HydrophobicContact CG1-CG 3.99Å; I377-L444 HydrophobicContact CD1-CD2 3.81Å; I377-L444 HydrophobicContact CD1-CG 4.49Å; I377-V454 HydrophobicContact CB-CG1 4.18Å; I377-V454 HydrophobicContact CD1-CG1 3.95Å; I377-V454 HydrophobicContact CG1-CG1 4.14Å; I377-I455 PolarHBondContact N-O 2.96Å; I377-F456 HydrophobicContact CG2-CD2 4.38Å; I377-F456 CarbonylContact O-C 3.6Å; I377-F456 VanDerWaalsContact O-CA 3.24Å; I377-F456 WeakPolarHBondContact O-CA 3.4Å; I377-F456 WeakPolarHBondContact O-CD2 3.33Å; I377-K457 PolarHBondContact O-N 3.3Å; I377-I466 HydrophobicContact CB-CD1 4.38Å; I377-I466 HydrophobicContact CG2-CD1 4.2Å
378	A	98.4	Very high	93.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.1	170.1	0	0	0	0	0	111.8	E380 Y416 V417 Y419 F424 K457 K459	A378-E380 HydrophobicContact CB-CG 4.32Å; A378-Y416 CarbonylContact O-C 3.53Å; A378-Y416 WeakPolarHBondContact O-CA 3.41Å; A378-V417 PolarHBondContact N-O 2.87Å; A378-V417 PolarHBondContact O-N 2.99Å; A378-Y419 HydrophobicContact CB-CD2 4.13Å; A378-Y419 HydrophobicContact CB-CE2 3.8Å; A378-F424 HydrophobicContact CB-CD1 4.03Å; A378-F424 HydrophobicContact CB-CE1 4.34Å; A378-K457 WeakPolarHBondContact CA-O 3.46Å; A378-K457 HydrophobicContact CB-CB 4.35Å; A378-K457 VanDerWaalsContact CB-O 3.26Å; A378-K457 WeakPolarHBondContact CB-O 3.44Å; A378-K459 HydrophobicContact CB-CD 3.96Å; A378-K459 HydrophobicContact CB-CG 4.31Å
379	A	98.4	Very high	95	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	122.8	165.7	0	0	0	0	0	108.8	V414 R415 F456 K457 K459 A460 Y464 L557	A379-V414 HydrophobicContact CB-CG2 4.07Å; A379-R415 WeakPolarHBondContact CA-O 3.46Å; A379-F456 HydrophobicContact CB-CE2 3.77Å; A379-F456 HydrophobicContact CB-CZ 3.71Å; A379-K457 PolarHBondContact N-O 3.02Å; A379-K459 CarbonylContact O-C 3.5Å; A379-K459 WeakPolarHBondContact O-CA 3.33Å; A379-K459 WeakPolarHBondContact O-CB 3.35Å; A379-K459 PolarHBondContact O-N 3.24Å; A379-A460 PolarHBondContact O-N 3.17Å; A379-Y464 HydrophobicContact CB-CD2 4.17Å; A379-L557 HydrophobicContact CB-CD2 4.11Å
380	E	97.3	Very high	95.8	Very high	19 Å²	19	47 Å²	47	9%	0.089	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	141.3	-178.4	-60.7	-164.5	166.7	0	0	112	A378 V414 R415 V417 Y419 K427 K459	A378-E380 HydrophobicContact CB-CG 4.32Å; E380-V414 CarbonylContact O-C 3.55Å; E380-V414 VanDerWaalsContact O-CA 3.28Å; E380-V414 WeakPolarHBondContact O-CA 3.25Å; E380-V414 WeakPolarHBondContact O-CG2 3.32Å; E380-R415 PolarHBondContact N-O 3.43Å; E380-R415 PolarHBondContact O-N 2.95Å; E380-V417 HydrophobicContact CB-CG2 4.27Å; E380-V417 HydrophobicContact CG-CG2 4.31Å; E380-Y419 WeakPolarHBondContact OE1-CE2 3.47Å; E380-Y419 PolarHBondContact OE1-OH 2.78Å; E380-K427 WeakPolarHBondContact OE2-CE 3.36Å; E380-K427 IonicContact OE2-NZ 3.63Å; E380-K427 PolarHBondContact OE2-NZ 3.06Å; E380-K459 HydrophobicContact CG-CB 4.28Å; E380-K459 HydrophobicContact CG-CD 4.35Å; E380-K459 WeakPolarHBondContact OE1-CD 3.33Å; E380-K459 WeakPolarHBondContact OE1-CE 3.31Å; E380-K459 IonicContact OE1-NZ 2.88Å; E380-K459 PolarHBondContact OE1-NZ 3.03Å
381	E	98.2	Very high	96.1	Very high	59 Å²	59	46.5 Å²	46.5	28%	0.276	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	133.6	176.2	-62.8	177.3	-179.8	0	0	110.8	K412 K413 V414 A460 S461 Y595	E381-K412 WeakPolarHBondContact OE2-CE 2.91Å; E381-K412 IonicContact OE2-NZ 3.32Å; E381-K412 PolarHBondContact OE2-NZ 3.23Å; E381-K413 CarbonylContact C-O 3.45Å; E381-K413 VanDerWaalsContact CA-O 3.25Å; E381-K413 WeakPolarHBondContact CA-O 3.41Å; E381-V414 HydrophobicContact CG-CB 4.49Å; E381-A460 HydrophobicContact CG-CB 3.96Å; E381-S461 VanDerWaalsContact OE1-CB 3.23Å; E381-S461 WeakPolarHBondContact OE1-CB 3.22Å; E381-S461 PolarHBondContact OE1-N 3.45Å; E381-S461 PolarHBondContact OE1-OG 3.14Å; E381-Y595 HydrophobicContact CG-CE1 4.16Å; E381-Y595 WeakPolarHBondContact CG-OH 3.48Å; E381-Y595 WeakPolarHBondContact OE1-CE1 3.21Å; E381-Y595 PolarHBondContact OE1-OH 2.8Å
382	E	96.3	Very high	95.7	Very high	46 Å²	46	46.2 Å²	46.2	22%	0.215	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	162.3	176.6	64.1	179.3	-143.9	0	0	111.5	K412 K413 R415	E382-K412 WeakPolarHBondContact O-CA 3.38Å; E382-K413 PolarHBondContact N-O 3.05Å; E382-K413 PolarHBondContact O-N 2.97Å; E382-R415 VanDerWaalsContact CD-CZ 3.49Å; E382-R415 IonicContact OE1-CZ 3.87Å; E382-R415 IonicContact OE1-NE 3.59Å; E382-R415 IonicContact OE1-NH1 3.27Å; E382-R415 PolarHBondContact OE1-NH1 2.78Å; E382-R415 IonicContact OE1-NH2 3.15Å; E382-R415 PolarHBondContact OE1-NH2 2.79Å; E382-R415 IonicContact OE2-CZ 3.97Å; E382-R415 IonicContact OE2-NE 2.78Å; E382-R415 IonicContact OE2-NH1 3.95Å; E382-R415 IonicContact OE2-NH2 3.48Å; E382-R415 PolarHBondContact OE2-NH2 3.3Å
383	V	98.2	Very high	95.3	Very high	74 Å²	74	43 Å²	43	45%	0.448	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.2	170.2	178.2	0	0	0	0	108.2	R410 Y411 F603	V383-R410 HydrophobicContact CG1-CB 4.29Å; V383-Y411 CarbonylContact C-O 3.57Å; V383-Y411 WeakPolarHBondContact CA-O 3.42Å; V383-F603 HydrophobicContact CG1-CE1 4.3Å; V383-F603 HydrophobicContact CG1-CZ 3.8Å; V383-F603 HydrophobicContact CG2-CZ 4.1Å
384	W	98.3	Very high	94.7	Very high	22 Å²	22	44.6 Å²	44.6	8%	0.083	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	139.3	175.5	-170.6	-102.7	0	0	0	110.4	Y386 R410 Y411 K413 I439 G628 F629	W384-Y386 AromaticContact CD1-CD2 3.82Å; W384-Y386 AromaticContact CD1-CE2 3.8Å; W384-Y386 AromaticContact CD1-CZ 3.99Å; W384-R410 WeakPolarHBondContact O-CA 3.38Å; W384-Y411 PolarHBondContact N-O 3.4Å; W384-Y411 PolarHBondContact O-N 3.15Å; W384-K413 HydrophobicContact CB-CB 4.27Å; W384-K413 HydrophobicContact CB-CD 3.57Å; W384-K413 HydrophobicContact CB-CG 3.91Å; W384-K413 HydrophobicContact CG-CD 3.93Å; W384-I439 HydrophobicContact CD2-CB 4.21Å; W384-I439 HydrophobicContact CD2-CD1 4.14Å; W384-I439 HydrophobicContact CD2-CG1 4.14Å; W384-I439 HydrophobicContact CE3-CB 4.4Å; W384-I439 HydrophobicContact CE3-CG1 4.3Å; W384-I439 HydrophobicContact CG-CD1 4.11Å; W384-I439 HydrophobicContact CH2-CB 4.07Å; W384-I439 HydrophobicContact CZ2-CB 3.81Å; W384-I439 HydrophobicContact CZ3-CB 4.34Å; W384-G628 PolarHBondContact NE1-O 2.87Å; W384-F629 HydrophobicContact CH2-CE1 4.4Å; W384-F629 AromaticContact CH2-CE2 3.88Å; W384-F629 HydrophobicContact CH2-CE2 3.88Å; W384-F629 AromaticContact CH2-CZ 3.65Å; W384-F629 HydrophobicContact CH2-CZ 3.65Å; W384-F629 HydrophobicContact CZ2-CD1 4.48Å; W384-F629 HydrophobicContact CZ2-CD2 4.2Å; W384-F629 AromaticContact CZ2-CE1 3.96Å; W384-F629 HydrophobicContact CZ2-CE1 3.96Å; W384-F629 AromaticContact CZ2-CE2 3.69Å; W384-F629 HydrophobicContact CZ2-CE2 3.69Å; W384-F629 AromaticContact CZ2-CZ 3.55Å; W384-F629 HydrophobicContact CZ2-CZ 3.55Å
385	D	98	Very high	94.2	Very high	43 Å²	43	44.7 Å²	44.7	23%	0.23	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	110.8	175	-167.8	-12.6	0	0	0	108.8	A387 P388 S409 R410	D385-A387 VanDerWaalsContact C-N 3.26Å; D385-A387 PolarHBondContact O-N 2.8Å; D385-A387 PolarHBondContact OD1-N 3.45Å; D385-A387 VanDerWaalsContact OD1-N 3.16Å; D385-P388 HydrophobicContact CB-CG 4.32Å; D385-P388 WeakPolarHBondContact O-CD 3.33Å; D385-S409 WeakPolarHBondContact CA-O 3.34Å; D385-S409 WeakPolarHBondContact OD1-CB 3.44Å; D385-S409 PolarHBondContact OD1-OG 2.99Å; D385-R410 HydrophobicContact CB-CG 3.95Å
386	Y	98.1	Very high	93.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-69.1	-26.3	-178.3	-76.2	-90.6	0	0	0	112.6	W384 S409 Y411 K413 F588 E590 M623 A625 G628 F629 V630	W384-Y386 AromaticContact CD1-CD2 3.82Å; W384-Y386 AromaticContact CD1-CE2 3.8Å; W384-Y386 AromaticContact CD1-CZ 3.99Å; Y386-S409 PolarHBondContact N-O 2.62Å; Y386-Y411 AromaticContact CD2-CD2 3.76Å; Y386-Y411 HydrophobicContact CD2-CD2 3.76Å; Y386-Y411 HydrophobicContact CD2-CE2 4.19Å; Y386-Y411 AromaticContact CE2-CD2 3.65Å; Y386-Y411 HydrophobicContact CE2-CD2 3.65Å; Y386-Y411 HydrophobicContact CE2-CE2 4.25Å; Y386-Y411 HydrophobicContact CE2-CG 4.33Å; Y386-K413 HydrophobicContact CE2-CD 4.19Å; Y386-K413 VanDerWaalsContact OH-CE 3.3Å; Y386-K413 WeakPolarHBondContact OH-CE 3.44Å; Y386-K413 PolarHBondContact OH-NZ 3.03Å; Y386-F588 HydrophobicContact CE1-CB 4.07Å; Y386-F588 AromaticContact CE1-CD2 3.87Å; Y386-F588 HydrophobicContact CE1-CD2 3.87Å; Y386-F588 HydrophobicContact CE1-CG 4.12Å; Y386-F588 VanDerWaalsContact OH-CB 3.22Å; Y386-F588 WeakPolarHBondContact OH-CB 3.48Å; Y386-F588 VanDerWaalsContact OH-CG 3.31Å; Y386-F588 WeakPolarHBondContact OH-CG 3.07Å; Y386-E590 WeakPolarHBondContact CE2-OE1 3.2Å; Y386-E590 PolarHBondContact OH-OE1 3.15Å; Y386-E590 VanDerWaalsContact OH-OE1 3.08Å; Y386-M623 VanDerWaalsContact CB-CE 3.46Å; Y386-M623 HydrophobicContact CD1-CB 3.76Å; Y386-M623 HydrophobicContact CD1-CE 4.21Å; Y386-M623 HydrophobicContact CD1-CG 4.2Å; Y386-M623 HydrophobicContact CD2-CB 4.49Å; Y386-M623 HydrophobicContact CD2-CE 3.88Å; Y386-M623 HydrophobicContact CD2-CG 4.04Å; Y386-M623 HydrophobicContact CE1-CB 3.59Å; Y386-M623 HydrophobicContact CE1-CG 4.11Å; Y386-M623 HydrophobicContact CE2-CB 4.35Å; Y386-M623 HydrophobicContact CE2-CG 3.94Å; Y386-M623 HydrophobicContact CG-CB 4.23Å; Y386-M623 HydrophobicContact CG-CE 3.61Å; Y386-M623 HydrophobicContact CG-CG 4.18Å; Y386-A625 HydrophobicContact CD1-CB 4.11Å; Y386-A625 HydrophobicContact CE1-CB 4.16Å; Y386-G628 WeakPolarHBondContact CA-O 3.09Å; Y386-G628 WeakPolarHBondContact CD1-O 3.24Å; Y386-F629 WeakPolarHBondContact O-CA 3.33Å; Y386-V630 HydrophobicContact CD1-CG1 4.39Å; Y386-V630 PolarHBondContact O-N 2.82Å
387	A	96.7	Very high	93.5	Very high	7 Å²	7	48.4 Å²	48.4	6%	0.058	29%	0.286	C	S	.	.			trans	-136.8	71.9	-177.9	0	0	0	0	0	111.3	D385 T389 V400 V630	D385-A387 VanDerWaalsContact C-N 3.26Å; D385-A387 PolarHBondContact O-N 2.8Å; D385-A387 PolarHBondContact OD1-N 3.45Å; D385-A387 VanDerWaalsContact OD1-N 3.16Å; A387-T389 PolarHBondContact O-N 3.2Å; A387-T389 VanDerWaalsContact O-N 3.12Å; A387-V400 HydrophobicContact CB-CB 4.43Å; A387-V400 HydrophobicContact CB-CG1 3.72Å; A387-V630 HydrophobicContact CB-CG2 3.86Å
388	P	95.8	Very high	93.2	Very high	76 Å²	76	50.6 Å²	50.6	49%	0.494	30%	0.3	S	S	.	.	S	Bend	trans	-58.4	-27.2	179.5	-23.8	34	0	0	0	113.7	D385 F629	D385-P388 HydrophobicContact CB-CG 4.32Å; D385-P388 WeakPolarHBondContact O-CD 3.33Å; P388-F629 HydrophobicContact CG-CD1 4.37Å; P388-F629 HydrophobicContact CG-CE1 3.9Å
389	T	93.6	Very high	93	Very high	101 Å²	101	51.4 Å²	51.4	62%	0.62	30%	0.303	S	S	*	.	S	Bend	trans	-106.4	128	169	-48.1	0	0	0	0	108.9	A387 N633	A387-T389 PolarHBondContact O-N 3.2Å; A387-T389 VanDerWaalsContact O-N 3.12Å; T389-N633 WeakPolarHBondContact CA-OD1 3.34Å; T389-N633 VanDerWaalsContact CB-OD1 3.24Å; T389-N633 WeakPolarHBondContact CB-OD1 3.33Å; T389-N633 PolarHBondContact N-OD1 3.06Å; T389-N633 PolarHBondContact O-ND2 3.29Å; T389-N633 PolarHBondContact O-OD1 2.8Å; T389-N633 PolarHBondContact OG1-OD1 3.09Å
390	A	88.8	Confident	92.9	Very high	88 Å²	88	52.5 Å²	52.5	73%	0.727	31%	0.31	S	S	*	.			trans	-60.7	125.4	179.6	0	0	0	0	0	110.8
391	P	90.1	Very high	92.6	Very high	30 Å²	30	54.7 Å²	54.7	20%	0.195	32%	0.324	C	S	.	.			trans	-67.9	154.9	174.3	26.9	-31.1	0	0	0	111.1	A396 V400 Y631	P391-A396 HydrophobicContact CB-CB 3.69Å; P391-A396 HydrophobicContact CG-CB 3.29Å; P391-V400 HydrophobicContact CG-CG1 4.32Å; P391-V400 HydrophobicContact CG-CG2 3.55Å; P391-Y631 HydrophobicContact CB-CD1 4.42Å; P391-Y631 HydrophobicContact CB-CD2 4.28Å; P391-Y631 HydrophobicContact CB-CG 3.92Å; P391-Y631 HydrophobicContact CG-CD2 4.25Å; P391-Y631 HydrophobicContact CG-CG 4.4Å
392	S	84.7	Confident	92.5	Very high	112 Å²	112	58.8 Å²	58.8	78%	0.783	34%	0.337	S	S	*	.			trans	-95.3	-14.9	179.6	58.3	0	0	0	0	113.4
393	E	84.6	Confident	92.3	Very high	33 Å²	33	57.2 Å²	57.2	15%	0.154	33%	0.333	C	S	.	.			trans	-79.7	136.7	-174	-58.9	91.5	128.2	0	0	111.1	E395 A396 R632	E393-E395 VanDerWaalsContact C-N 3.32Å; E393-E395 PolarHBondContact O-N 3.4Å; E393-A396 WeakPolarHBondContact O-CB 3.16Å; E393-A396 PolarHBondContact O-N 3.31Å; E393-R632 IonicContact OE1-CZ 3.3Å; E393-R632 IonicContact OE1-NE 2.67Å; E393-R632 IonicContact OE1-NH2 3.25Å; E393-R632 PolarHBondContact OE1-NH2 3.26Å; E393-R632 IonicContact OE2-NH2 3.96Å
394	S	83.8	Confident	92.1	Very high	83 Å²	83	57.3 Å²	57.3	58%	0.58	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-66	-33.7	-179	43.5	0	0	0	0	113	A396 E397	S394-A396 PolarHBondContact O-N 2.71Å; S394-E397 WeakPolarHBondContact O-CB 3.38Å; S394-E397 WeakPolarHBondContact O-CG 3.35Å; S394-E397 PolarHBondContact O-N 2.83Å; S394-E397 VanDerWaalsContact O-N 3.12Å
395	E	84.4	Confident	91.8	Very high	94 Å²	94	59.2 Å²	59.2	44%	0.439	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-62.2	-26.5	178.1	-61.6	86	170.1	0	0	111.9	E393 E397 T398	E393-E395 VanDerWaalsContact C-N 3.32Å; E393-E395 PolarHBondContact O-N 3.4Å; E395-E397 PolarHBondContact O-N 2.75Å; E395-T398 PolarHBondContact O-N 3.38Å
396	A	90.4	Very high	91.7	Very high	2 Å²	2	60.4 Å²	60.4	2%	0.017	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-68.2	-20.3	179.3	0	0	0	0	0	112.8	P391 E393 S394 T398 F399 V400 Y631	P391-A396 HydrophobicContact CB-CB 3.69Å; P391-A396 HydrophobicContact CG-CB 3.29Å; E393-A396 WeakPolarHBondContact O-CB 3.16Å; E393-A396 PolarHBondContact O-N 3.31Å; S394-A396 PolarHBondContact O-N 2.71Å; A396-T398 PolarHBondContact O-N 3.03Å; A396-T398 VanDerWaalsContact O-N 3.17Å; A396-F399 PolarHBondContact O-N 2.96Å; A396-F399 VanDerWaalsContact O-N 3.09Å; A396-V400 HydrophobicContact CB-CG2 4.14Å; A396-V400 WeakPolarHBondContact O-CG2 3.48Å; A396-V400 PolarHBondContact O-N 2.87Å; A396-Y631 WeakPolarHBondContact CA-OH 3.45Å; A396-Y631 HydrophobicContact CB-CD1 4.23Å; A396-Y631 HydrophobicContact CB-CD2 3.89Å; A396-Y631 HydrophobicContact CB-CE1 3.87Å; A396-Y631 HydrophobicContact CB-CE2 3.5Å; A396-Y631 HydrophobicContact CB-CG 4.26Å
397	E	91.2	Very high	91.7	Very high	127 Å²	127	60.6 Å²	60.6	59%	0.593	35%	0.352	S	S	*	.	H	α-helix	trans	-59.6	-28.3	-180	-67.7	-175.7	179.7	0	0	112.8	S394 E395 T401 R406	S394-E397 WeakPolarHBondContact O-CB 3.38Å; S394-E397 WeakPolarHBondContact O-CG 3.35Å; S394-E397 PolarHBondContact O-N 2.83Å; S394-E397 VanDerWaalsContact O-N 3.12Å; E395-E397 PolarHBondContact O-N 2.75Å; E397-T401 WeakPolarHBondContact CA-OG1 3.37Å; E397-T401 WeakPolarHBondContact O-CB 3.45Å; E397-T401 PolarHBondContact O-OG1 3.22Å; E397-R406 PolarHBondContact O-NH1 2.85Å
398	T	92.3	Very high	91.7	Very high	47 Å²	47	60.3 Å²	60.3	29%	0.288	35%	0.35	S	S	.	.	H	α-helix	trans	-63.2	-43.3	176	-61.8	0	0	0	0	111.8	E395 A396 E619 S620	E395-T398 PolarHBondContact O-N 3.38Å; A396-T398 PolarHBondContact O-N 3.03Å; A396-T398 VanDerWaalsContact O-N 3.17Å; T398-E619 HydrophobicContact CG2-CG 4.38Å; T398-S620 VanDerWaalsContact O-CB 3.29Å; T398-S620 WeakPolarHBondContact O-CB 2.93Å
399	F	94.9	Very high	91.7	Very high	17 Å²	17	57.7 Å²	57.7	8%	0.075	33%	0.333	C	S	.	.	H	α-helix	trans	-99.1	-36.2	-167.3	-52.2	-77.8	0	0	0	113.8	A396 G408 E619 K622 M623 Y631	A396-F399 PolarHBondContact O-N 2.96Å; A396-F399 VanDerWaalsContact O-N 3.09Å; F399-G408 CarbonylContact O-C 3.54Å; F399-E619 HydrophobicContact CE1-CG 4.4Å; F399-E619 WeakPolarHBondContact CE1-O 3.3Å; F399-K622 WeakPolarHBondContact CD1-O 3.32Å; F399-M623 HydrophobicContact CB-CE 4.5Å; F399-M623 HydrophobicContact CB-SD 4.2Å; F399-Y631 WeakPolarHBondContact CD2-OH 3.46Å
400	V	94.9	Very high	91.9	Very high	23 Å²	23	59 Å²	59	14%	0.139	33%	0.327	C	S	.	.	H	α-helix	trans	-101.5	-15	-171.9	-56.6	0	0	0	0	114.1	A387 P391 A396 G408 S409 V630 Y631	A387-V400 HydrophobicContact CB-CB 4.43Å; A387-V400 HydrophobicContact CB-CG1 3.72Å; P391-V400 HydrophobicContact CG-CG1 4.32Å; P391-V400 HydrophobicContact CG-CG2 3.55Å; A396-V400 HydrophobicContact CB-CG2 4.14Å; A396-V400 WeakPolarHBondContact O-CG2 3.48Å; A396-V400 PolarHBondContact O-N 2.87Å; V400-G408 WeakPolarHBondContact O-CA 3.41Å; V400-S409 PolarHBondContact O-N 3Å; V400-V630 HydrophobicContact CG1-CG2 4.14Å; V400-Y631 HydrophobicContact CG1-CD2 4.48Å
401	T	92.7	Very high	92.4	Very high	65 Å²	65	54.8 Å²	54.8	40%	0.399	29%	0.292	S	S	.	.			trans	-81.5	123.4	-175.7	-58.8	0	0	0	0	112.5	E397	E397-T401 WeakPolarHBondContact CA-OG1 3.37Å; E397-T401 WeakPolarHBondContact O-CB 3.45Å; E397-T401 PolarHBondContact O-OG1 3.22Å
402	R	94.2	Very high	92.8	Very high	145 Å²	145	54.9 Å²	54.9	55%	0.547	29%	0.289	S	S	.	.			trans	-77.4	136.9	173.1	-177	-174.3	178.6	174.3	11	111.3	F603	R402-F603 WeakPolarHBondContact CD-O 3.29Å; R402-F603 WeakPolarHBondContact CG-O 3.42Å; R402-F603 PolarHBondContact NE-O 3.39Å; R402-F603 PolarHBondContact NH2-O 3.26Å
403	G	92.9	Very high	93.4	Very high	12 Å²	12	49.6 Å²	49.6	12%	0.124	25%	0.252	C	S	.	.			trans	-150.3	-170.3	179.5	0	0	0	0	0	115.4	T405 R406 T605	G403-T405 VanDerWaalsContact C-N 3.32Å; G403-T405 PolarHBondContact O-N 3.43Å; G403-R406 PolarHBondContact N-O 3.01Å; G403-T605 PolarHBondContact O-N 2.71Å; G403-T605 PolarHBondContact O-OG1 3.19Å
404	P	93.1	Very high	94.1	Very high	77 Å²	77	48 Å²	48	50%	0.5	25%	0.245	S	C	.	.	S	Bend	trans	-56.6	-44.9	173.8	-24.2	34.7	0	0	0	112.8	T605 A606	P404-T605 WeakPolarHBondContact CA-OG1 3.46Å; P404-A606 HydrophobicContact CB-CB 4.07Å; P404-A606 CarbonylContact O-C 3.53Å; P404-A606 PolarHBondContact O-N 2.91Å; P404-A606 VanDerWaalsContact O-N 3.09Å
405	T	93.9	Very high	94.7	Very high	61 Å²	61	46 Å²	46	37%	0.374	22%	0.224	S	C	.	.	S	Bend	trans	-115.9	9.5	-177.9	52.3	0	0	0	0	113.1	G403 F617	G403-T405 VanDerWaalsContact C-N 3.32Å; G403-T405 PolarHBondContact O-N 3.43Å; T405-F617 WeakPolarHBondContact O-CD2 3.5Å; T405-F617 WeakPolarHBondContact O-CE2 3.21Å
406	R	95.7	Very high	95.4	Very high	69 Å²	69	41.5 Å²	41.5	26%	0.26	20%	0.204	S	C	.	.			trans	-123.1	134	-179.3	-69.1	-171.6	177.5	-178.2	-2.3	111.7	E397 G403	E397-R406 PolarHBondContact O-NH1 2.85Å; G403-R406 PolarHBondContact N-O 3.01Å
407	I	97.4	Very high	95.8	Very high	3 Å²	3	42 Å²	42	2%	0.015	21%	0.206	C	C	.	.			trans	-72.5	-44	-178.6	-69.2	165.9	0	0	0	111	R410 Y411 L596 N599 I600 F603 T604 F617	I407-R410 WeakPolarHBondContact CG2-O 3.34Å; I407-Y411 HydrophobicContact CB-CE1 3.82Å; I407-Y411 HydrophobicContact CD1-CD1 4.38Å; I407-Y411 HydrophobicContact CD1-CE1 3.7Å; I407-Y411 HydrophobicContact CG1-CE1 4.35Å; I407-Y411 HydrophobicContact CG2-CD1 3.75Å; I407-Y411 HydrophobicContact CG2-CD2 4.44Å; I407-Y411 HydrophobicContact CG2-CE1 3.33Å; I407-Y411 HydrophobicContact CG2-CE2 4.11Å; I407-Y411 HydrophobicContact CG2-CG 4.28Å; I407-L596 HydrophobicContact CD1-CD1 4.16Å; I407-N599 HydrophobicContact CD1-CB 4.03Å; I407-I600 HydrophobicContact CD1-CG1 4.08Å; I407-F603 HydrophobicContact CG2-CB 3.8Å; I407-F603 HydrophobicContact CG2-CD2 4.31Å; I407-F603 HydrophobicContact CG2-CG 4.37Å; I407-T604 HydrophobicContact CG1-CG2 3.82Å; I407-F617 HydrophobicContact CD1-CE2 4.35Å; I407-F617 HydrophobicContact CD1-CZ 4.19Å; I407-F617 HydrophobicContact CG1-CE2 4.47Å
408	G	96	Very high	96.1	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.021	19%	0.187	C	C	.	.			trans	89.2	-154.1	-177.2	0	0	0	0	0	112.1	F399 V400 R410 Y411	F399-G408 CarbonylContact O-C 3.54Å; V400-G408 WeakPolarHBondContact O-CA 3.41Å; G408-R410 PolarHBondContact O-N 3.36Å; G408-Y411 WeakPolarHBondContact O-CE2 3.27Å; G408-Y411 PolarHBondContact O-OH 3.11Å
409	S	96.6	Very high	96.3	Very high	21 Å²	21	35.9 Å²	35.9	15%	0.147	17%	0.174	C	C	.	.	S	Bend	trans	-78.5	-7.8	-171	72.3	0	0	0	0	116.8	D385 Y386 V400	D385-S409 WeakPolarHBondContact CA-O 3.34Å; D385-S409 WeakPolarHBondContact OD1-CB 3.44Å; D385-S409 PolarHBondContact OD1-OG 2.99Å; Y386-S409 PolarHBondContact N-O 2.62Å; V400-S409 PolarHBondContact O-N 3Å
410	R	97.9	Very high	96.4	Very high	127 Å²	127	39.9 Å²	39.9	48%	0.479	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.5	-168.5	-66.1	-178.9	67.2	-171.7	2.4	111.9	V383 W384 D385 I407 G408 F603	V383-R410 HydrophobicContact CG1-CB 4.29Å; W384-R410 WeakPolarHBondContact O-CA 3.38Å; D385-R410 HydrophobicContact CB-CG 3.95Å; I407-R410 WeakPolarHBondContact CG2-O 3.34Å; G408-R410 PolarHBondContact O-N 3.36Å; R410-F603 HydrophobicContact CB-CD1 4.31Å; R410-F603 HydrophobicContact CB-CE1 4.12Å; R410-F603 WeakPolarHBondContact O-CD2 3.19Å; R410-F603 WeakPolarHBondContact O-CE2 3.48Å; R410-F603 WeakPolarHBondContact O-CG 3.45Å
411	Y	98.6	Very high	96.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141	-178	-64.8	-98.2	0	0	0	110.3	V383 W384 Y386 I407 G408 E590 N599 N621 M623	V383-Y411 CarbonylContact C-O 3.57Å; V383-Y411 WeakPolarHBondContact CA-O 3.42Å; W384-Y411 PolarHBondContact N-O 3.4Å; W384-Y411 PolarHBondContact O-N 3.15Å; Y386-Y411 AromaticContact CD2-CD2 3.76Å; Y386-Y411 HydrophobicContact CD2-CD2 3.76Å; Y386-Y411 HydrophobicContact CD2-CE2 4.19Å; Y386-Y411 AromaticContact CE2-CD2 3.65Å; Y386-Y411 HydrophobicContact CE2-CD2 3.65Å; Y386-Y411 HydrophobicContact CE2-CE2 4.25Å; Y386-Y411 HydrophobicContact CE2-CG 4.33Å; I407-Y411 HydrophobicContact CB-CE1 3.82Å; I407-Y411 HydrophobicContact CD1-CD1 4.38Å; I407-Y411 HydrophobicContact CD1-CE1 3.7Å; I407-Y411 HydrophobicContact CG1-CE1 4.35Å; I407-Y411 HydrophobicContact CG2-CD1 3.75Å; I407-Y411 HydrophobicContact CG2-CD2 4.44Å; I407-Y411 HydrophobicContact CG2-CE1 3.33Å; I407-Y411 HydrophobicContact CG2-CE2 4.11Å; I407-Y411 HydrophobicContact CG2-CG 4.28Å; G408-Y411 WeakPolarHBondContact O-CE2 3.27Å; G408-Y411 PolarHBondContact O-OH 3.11Å; Y411-E590 VanDerWaalsContact CB-OE1 3.29Å; Y411-E590 WeakPolarHBondContact CB-OE1 3.26Å; Y411-E590 HydrophobicContact CD1-CB 3.81Å; Y411-E590 HydrophobicContact CD1-CG 3.58Å; Y411-E590 HydrophobicContact CD2-CG 4.27Å; Y411-E590 HydrophobicContact CE1-CB 3.64Å; Y411-E590 HydrophobicContact CE1-CG 3.69Å; Y411-E590 HydrophobicContact CE2-CG 4.35Å; Y411-E590 HydrophobicContact CG-CG 3.9Å; Y411-N599 HydrophobicContact CD1-CB 4.25Å; Y411-N621 PolarHBondContact OH-OD1 2.96Å; Y411-N621 VanDerWaalsContact OH-OD1 3.04Å; Y411-M623 HydrophobicContact CE2-CG 4.3Å; Y411-M623 HydrophobicContact CE2-SD 4.25Å
412	K	98.4	Very high	96.5	Very high	32 Å²	32	43.9 Å²	43.9	14%	0.139	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.3	161.6	-172.9	-177	177.3	-173.1	0	108	E381 E382 Y595 E598 N599	E381-K412 WeakPolarHBondContact OE2-CE 2.91Å; E381-K412 IonicContact OE2-NZ 3.32Å; E381-K412 PolarHBondContact OE2-NZ 3.23Å; E382-K412 WeakPolarHBondContact O-CA 3.38Å; K412-Y595 HydrophobicContact CD-CD1 4.01Å; K412-Y595 HydrophobicContact CG-CD1 4.34Å; K412-Y595 HydrophobicContact CG-CG 4.47Å; K412-Y595 WeakPolarHBondContact O-CB 3.46Å; K412-E598 HydrophobicContact CD-CG 4.21Å; K412-E598 WeakPolarHBondContact CD-OE1 3.44Å; K412-E598 WeakPolarHBondContact CD-OE2 3.34Å; K412-E598 WeakPolarHBondContact CE-OE1 3.21Å; K412-E598 IonicContact NZ-OE1 3.61Å; K412-E598 PolarHBondContact NZ-OE1 2.86Å; K412-E598 IonicContact NZ-OE2 3.76Å; K412-E598 PolarHBondContact NZ-OE2 2.98Å; K412-N599 WeakPolarHBondContact CA-OD1 3.5Å; K412-N599 WeakPolarHBondContact CB-OD1 3.27Å; K412-N599 PolarHBondContact N-OD1 3.08Å; K412-N599 PolarHBondContact O-ND2 3.3Å; K412-N599 VanDerWaalsContact O-ND2 3.17Å
413	K	98.3	Very high	96.5	Very high	2 Å²	2	40 Å²	40	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	176.1	-177	-61.6	-164.7	74.8	74.5	0	109.7	E381 E382 W384 Y386 I439 S554 S555 E590	E381-K413 CarbonylContact C-O 3.45Å; E381-K413 VanDerWaalsContact CA-O 3.25Å; E381-K413 WeakPolarHBondContact CA-O 3.41Å; E382-K413 PolarHBondContact N-O 3.05Å; E382-K413 PolarHBondContact O-N 2.97Å; W384-K413 HydrophobicContact CB-CB 4.27Å; W384-K413 HydrophobicContact CB-CD 3.57Å; W384-K413 HydrophobicContact CB-CG 3.91Å; W384-K413 HydrophobicContact CG-CD 3.93Å; Y386-K413 HydrophobicContact CE2-CD 4.19Å; Y386-K413 VanDerWaalsContact OH-CE 3.3Å; Y386-K413 WeakPolarHBondContact OH-CE 3.44Å; Y386-K413 PolarHBondContact OH-NZ 3.03Å; K413-I439 HydrophobicContact CD-CD1 3.56Å; K413-S554 PolarHBondContact NZ-O 3.27Å; K413-S555 WeakPolarHBondContact CA-O 3.18Å; K413-S555 WeakPolarHBondContact CB-O 3.43Å; K413-E590 WeakPolarHBondContact CD-OE1 3.47Å; K413-E590 IonicContact NZ-OE1 2.69Å; K413-E590 PolarHBondContact NZ-OE1 3.01Å; K413-E590 IonicContact NZ-OE2 3.37Å; K413-E590 PolarHBondContact NZ-OE2 2.87Å
414	V	98.3	Very high	96.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.5	171.3	58.3	0	0	0	0	109.4	A379 E380 E381 A460 Y464 S555 G556 L557 Y595	A379-V414 HydrophobicContact CB-CG2 4.07Å; E380-V414 CarbonylContact O-C 3.55Å; E380-V414 VanDerWaalsContact O-CA 3.28Å; E380-V414 WeakPolarHBondContact O-CA 3.25Å; E380-V414 WeakPolarHBondContact O-CG2 3.32Å; E381-V414 HydrophobicContact CG-CB 4.49Å; V414-A460 HydrophobicContact CG2-CB 4.01Å; V414-Y464 HydrophobicContact CB-CE2 4.29Å; V414-Y464 HydrophobicContact CG1-CE2 4.12Å; V414-Y464 HydrophobicContact CG2-CD2 4.27Å; V414-Y464 HydrophobicContact CG2-CE2 3.8Å; V414-S555 PolarHBondContact N-O 2.72Å; V414-G556 CarbonylContact O-C 3.51Å; V414-G556 VanDerWaalsContact O-CA 3.28Å; V414-G556 WeakPolarHBondContact O-CA 3.45Å; V414-L557 HydrophobicContact CB-CD2 4.42Å; V414-L557 HydrophobicContact CB-CG 4.49Å; V414-L557 HydrophobicContact CG1-CD1 4.1Å; V414-L557 HydrophobicContact CG1-CD2 4.09Å; V414-L557 HydrophobicContact CG1-CG 3.66Å; V414-L557 HydrophobicContact CG2-CD1 4.36Å; V414-L557 HydrophobicContact CG2-CD2 3.79Å; V414-L557 HydrophobicContact CG2-CG 4.19Å; V414-Y595 HydrophobicContact CB-CE2 3.99Å; V414-Y595 HydrophobicContact CG1-CE2 3.86Å
415	R	97.6	Very high	96.8	Very high	39 Å²	39	41.2 Å²	41.2	15%	0.147	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.4	-177.6	-167.1	178.2	67.9	-148.2	-12.9	112.4	A379 E380 E382 I439	A379-R415 WeakPolarHBondContact CA-O 3.46Å; E380-R415 PolarHBondContact N-O 3.43Å; E380-R415 PolarHBondContact O-N 2.95Å; E382-R415 VanDerWaalsContact CD-CZ 3.49Å; E382-R415 IonicContact OE1-CZ 3.87Å; E382-R415 IonicContact OE1-NE 3.59Å; E382-R415 IonicContact OE1-NH1 3.27Å; E382-R415 PolarHBondContact OE1-NH1 2.78Å; E382-R415 IonicContact OE1-NH2 3.15Å; E382-R415 PolarHBondContact OE1-NH2 2.79Å; E382-R415 IonicContact OE2-CZ 3.97Å; E382-R415 IonicContact OE2-NE 2.78Å; E382-R415 IonicContact OE2-NH1 3.95Å; E382-R415 IonicContact OE2-NH2 3.48Å; E382-R415 PolarHBondContact OE2-NH2 3.3Å; R415-I439 WeakPolarHBondContact CD-O 3.24Å; R415-I439 WeakPolarHBondContact CG-O 3.24Å
416	Y	98.5	Very high	96.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	125	163.1	-66.6	-57.9	0	0	0	112.2	I377 A378 F456 T465 I466 Y543 Y544 S545 L557	I377-Y416 HydrophobicContact CG2-CD1 3.65Å; I377-Y416 HydrophobicContact CG2-CG 4.1Å; A378-Y416 CarbonylContact O-C 3.53Å; A378-Y416 WeakPolarHBondContact O-CA 3.41Å; Y416-F456 HydrophobicContact CD1-CE2 4.16Å; Y416-F456 AromaticContact CE1-CE2 3.84Å; Y416-F456 HydrophobicContact CE1-CE2 3.84Å; Y416-F456 HydrophobicContact CE1-CZ 4.39Å; Y416-T465 PolarHBondContact OH-O 3.12Å; Y416-I466 HydrophobicContact CD1-CD1 4.49Å; Y416-I466 HydrophobicContact CE1-CD1 4.07Å; Y416-I466 HydrophobicContact CE1-CG1 3.74Å; Y416-Y543 HydrophobicContact CD2-CD2 4.14Å; Y416-Y543 AromaticContact CD2-CE2 3.49Å; Y416-Y543 HydrophobicContact CD2-CE2 3.49Å; Y416-Y543 VanDerWaalsContact CD2-CE2 3.49Å; Y416-Y543 AromaticContact CE2-CD2 3.92Å; Y416-Y543 HydrophobicContact CE2-CD2 3.92Å; Y416-Y543 AromaticContact CE2-CE2 3.76Å; Y416-Y543 HydrophobicContact CE2-CE2 3.76Å; Y416-Y543 AromaticContact CG-CE2 3.93Å; Y416-Y543 HydrophobicContact CG-CE2 3.93Å; Y416-Y544 VanDerWaalsContact OH-C 3.29Å; Y416-S545 WeakPolarHBondContact OH-CA 3.32Å; Y416-S545 WeakPolarHBondContact OH-CB 3.29Å; Y416-S545 PolarHBondContact OH-N 3.43Å; Y416-L557 HydrophobicContact CD1-CD2 3.95Å; Y416-L557 HydrophobicContact CD2-CB 4.49Å; Y416-L557 HydrophobicContact CD2-CD2 4.13Å; Y416-L557 HydrophobicContact CE1-CD2 3.82Å; Y416-L557 VanDerWaalsContact CE2-C 3.46Å; Y416-L557 HydrophobicContact CE2-CB 3.79Å; Y416-L557 HydrophobicContact CE2-CD2 4.03Å; Y416-L557 HydrophobicContact CE2-CG 4.46Å; Y416-L557 HydrophobicContact CG-CD2 4.09Å
417	V	97.9	Very high	96.9	Very high	13 Å²	13	43 Å²	43	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.1	-179.2	-178.7	0	0	0	0	109.6	I377 A378 E380 Y419 K427	I377-V417 CarbonylContact C-O 3.57Å; I377-V417 WeakPolarHBondContact CA-O 3.49Å; A378-V417 PolarHBondContact N-O 2.87Å; A378-V417 PolarHBondContact O-N 2.99Å; E380-V417 HydrophobicContact CB-CG2 4.27Å; E380-V417 HydrophobicContact CG-CG2 4.31Å; V417-Y419 HydrophobicContact CB-CE2 4.28Å; V417-Y419 HydrophobicContact CG1-CD2 4.49Å; V417-Y419 HydrophobicContact CG1-CE2 3.96Å; V417-K427 HydrophobicContact CG1-CD 3.92Å; V417-K427 HydrophobicContact CG1-CG 4.02Å
418	E	97.3	Very high	96.6	Very high	38 Å²	38	47 Å²	47	18%	0.178	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	146.1	178.1	-168.3	166.6	-159.8	0	0	112.6	F376 M428 P442	F376-E418 CarbonylContact O-C 3.55Å; F376-E418 WeakPolarHBondContact O-CA 3.42Å; E418-M428 HydrophobicContact CB-CB 4.04Å; E418-M428 VanDerWaalsContact CD-SD 3.54Å; E418-M428 HydrophobicContact CG-CB 4.01Å; E418-M428 HydrophobicContact CG-SD 3.97Å; E418-M428 PolarHBondContact O-N 2.78Å; E418-P442 HydrophobicContact CB-CB 3.81Å; E418-P442 HydrophobicContact CB-CG 3.88Å; E418-P442 HydrophobicContact CG-CB 4.35Å; E418-P442 VanDerWaalsContact OE2-CB 3.27Å; E418-P442 WeakPolarHBondContact OE2-CB 3.38Å
419	Y	97.8	Very high	96.4	Very high	7 Å²	7	54.5 Å²	54.5	3%	0.027	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	155.5	-180	-80.4	-92.9	0	0	0	111.1	F376 A378 E380 V417 D421 F424 T426 K427 K459	F376-Y419 PolarHBondContact O-N 3.36Å; A378-Y419 HydrophobicContact CB-CD2 4.13Å; A378-Y419 HydrophobicContact CB-CE2 3.8Å; E380-Y419 WeakPolarHBondContact OE1-CE2 3.47Å; E380-Y419 PolarHBondContact OE1-OH 2.78Å; V417-Y419 HydrophobicContact CB-CE2 4.28Å; V417-Y419 HydrophobicContact CG1-CD2 4.49Å; V417-Y419 HydrophobicContact CG1-CE2 3.96Å; Y419-D421 VanDerWaalsContact C-N 3.34Å; Y419-F424 VanDerWaalsContact CD1-CA 3.42Å; Y419-F424 HydrophobicContact CD1-CB 4.17Å; Y419-F424 HydrophobicContact CD1-CD1 4.5Å; Y419-F424 AromaticContact CD2-CD1 3.75Å; Y419-F424 HydrophobicContact CD2-CD1 3.75Å; Y419-F424 HydrophobicContact CE1-CB 4.31Å; Y419-F424 WeakPolarHBondContact CE1-O 3.36Å; Y419-F424 HydrophobicContact CE2-CD1 4.35Å; Y419-F424 HydrophobicContact CG-CB 4.32Å; Y419-F424 AromaticContact CG-CD1 3.83Å; Y419-F424 HydrophobicContact CG-CD1 3.83Å; Y419-F424 HydrophobicContact CG-CG 4.47Å; Y419-T426 VanDerWaalsContact CD1-C 3.46Å; Y419-T426 VanDerWaalsContact CD1-O 3.24Å; Y419-T426 WeakPolarHBondContact CD1-O 3.38Å; Y419-K427 HydrophobicContact CD1-CG 4.42Å; Y419-K427 HydrophobicContact CE1-CB 4.48Å; Y419-K427 HydrophobicContact CE1-CG 3.69Å; Y419-K427 HydrophobicContact CE2-CG 4.23Å; Y419-K427 VanDerWaalsContact OH-CE 3.26Å; Y419-K427 WeakPolarHBondContact OH-CE 3.25Å; Y419-K459 PolarHBondContact OH-NZ 3.09Å
420	L	95.8	Very high	96.1	Very high	102 Å²	102	57.2 Å²	57.2	53%	0.534	29%	0.285	S	S	.	.	S	Bend	trans	-71.2	-29.2	179.6	-63.4	-179.8	0	0	0	113.4	F376 T426 M428	F376-L420 WeakPolarHBondContact CE2-O 3.47Å; L420-T426 HydrophobicContact CD1-CG2 3.63Å; L420-T426 HydrophobicContact CG-CG2 4.32Å; L420-T426 PolarHBondContact N-O 2.91Å; L420-M428 HydrophobicContact CD2-CB 4.37Å; L420-M428 HydrophobicContact CD2-CG 4.41Å
421	D	95.3	Very high	95.7	Very high	59 Å²	59	53.1 Å²	53.1	32%	0.316	28%	0.276	S	S	.	.	S	Bend	trans	-156.4	179.4	-174.1	63.9	36.3	0	0	0	113.4	F376 Y419 T423 F424	F376-D421 VanDerWaalsContact CD1-C 3.41Å; Y419-D421 VanDerWaalsContact C-N 3.34Å; D421-T423 PolarHBondContact O-N 2.8Å; D421-T423 WeakPolarHBondContact OD1-CA 3.44Å; D421-T423 WeakPolarHBondContact OD1-CB 3.19Å; D421-T423 WeakPolarHBondContact OD1-CG2 3.3Å; D421-T423 PolarHBondContact OD1-N 2.91Å; D421-T423 PolarHBondContact OD1-OG1 2.78Å; D421-F424 PolarHBondContact O-N 3.36Å
422	N	94.4	Very high	95.3	Very high	112 Å²	112	57.9 Å²	57.9	60%	0.599	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-1.7	-179	67.1	3.9	0	0	0	114.8	F376 F424	F376-N422 HydrophobicContact CD1-CB 4.06Å; F376-N422 HydrophobicContact CE1-CB 3.75Å; F376-N422 VanDerWaalsContact CE1-N 3.32Å; N422-F424 VanDerWaalsContact C-N 3.3Å; N422-F424 WeakPolarHBondContact O-CD2 3.2Å; N422-F424 WeakPolarHBondContact O-CE2 3.28Å
423	T	95	Very high	94.7	Very high	65 Å²	65	61.3 Å²	61.3	40%	0.399	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-24.3	174.4	74.2	0	0	0	0	111.1	D421 T425	D421-T423 PolarHBondContact O-N 2.8Å; D421-T423 WeakPolarHBondContact OD1-CA 3.44Å; D421-T423 WeakPolarHBondContact OD1-CB 3.19Å; D421-T423 WeakPolarHBondContact OD1-CG2 3.3Å; D421-T423 PolarHBondContact OD1-N 2.91Å; D421-T423 PolarHBondContact OD1-OG1 2.78Å; T423-T425 PolarHBondContact O-N 2.7Å; T423-T425 PolarHBondContact OG1-N 2.73Å; T423-T425 PolarHBondContact OG1-OG1 2.86Å
424	F	96.2	Very high	94.5	Very high	9 Å²	9	63.3 Å²	63.3	4%	0.039	33%	0.333	C	S	.	.			trans	54.2	38.5	-175.4	-60.4	-89.8	0	0	0	113	F376 I377 A378 Y419 D421 N422 I455 K457	F376-F424 HydrophobicContact CB-CE1 4.12Å; F376-F424 HydrophobicContact CB-CZ 4.33Å; I377-F424 WeakPolarHBondContact O-CE1 3.46Å; A378-F424 HydrophobicContact CB-CD1 4.03Å; A378-F424 HydrophobicContact CB-CE1 4.34Å; Y419-F424 VanDerWaalsContact CD1-CA 3.42Å; Y419-F424 HydrophobicContact CD1-CB 4.17Å; Y419-F424 HydrophobicContact CD1-CD1 4.5Å; Y419-F424 AromaticContact CD2-CD1 3.75Å; Y419-F424 HydrophobicContact CD2-CD1 3.75Å; Y419-F424 HydrophobicContact CE1-CB 4.31Å; Y419-F424 WeakPolarHBondContact CE1-O 3.36Å; Y419-F424 HydrophobicContact CE2-CD1 4.35Å; Y419-F424 HydrophobicContact CG-CB 4.32Å; Y419-F424 AromaticContact CG-CD1 3.83Å; Y419-F424 HydrophobicContact CG-CD1 3.83Å; Y419-F424 HydrophobicContact CG-CG 4.47Å; D421-F424 PolarHBondContact O-N 3.36Å; N422-F424 VanDerWaalsContact C-N 3.3Å; N422-F424 WeakPolarHBondContact O-CD2 3.2Å; N422-F424 WeakPolarHBondContact O-CE2 3.28Å; F424-I455 HydrophobicContact CE2-CG2 4.24Å; F424-I455 HydrophobicContact CZ-CG2 3.97Å; F424-I455 WeakPolarHBondContact CZ-O 3.48Å; F424-K457 HydrophobicContact CB-CD 3.74Å; F424-K457 HydrophobicContact CD1-CB 3.83Å; F424-K457 HydrophobicContact CD1-CD 4.2Å; F424-K457 HydrophobicContact CD2-CB 3.86Å; F424-K457 HydrophobicContact CD2-CD 3.4Å; F424-K457 HydrophobicContact CD2-CG 4.27Å; F424-K457 HydrophobicContact CE1-CB 3.63Å; F424-K457 HydrophobicContact CE2-CB 3.67Å; F424-K457 HydrophobicContact CE2-CD 4.01Å; F424-K457 HydrophobicContact CE2-CG 4.45Å; F424-K457 HydrophobicContact CG-CB 3.93Å; F424-K457 HydrophobicContact CG-CD 3.51Å; F424-K457 HydrophobicContact CG-CG 4.38Å; F424-K457 HydrophobicContact CZ-CB 3.55Å
425	T	95.1	Very high	94.3	Very high	104 Å²	104	68.5 Å²	68.5	64%	0.638	36%	0.357	S	S	*	.			trans	-99.6	-42.4	179	57.1	0	0	0	0	112.5	T423	T423-T425 PolarHBondContact O-N 2.7Å; T423-T425 PolarHBondContact OG1-N 2.73Å; T423-T425 PolarHBondContact OG1-OG1 2.86Å
426	T	96.3	Very high	94.2	Very high	74 Å²	74	66.9 Å²	66.9	45%	0.454	35%	0.351	S	S	.	.	S	Bend	trans	-109.8	111	-175.8	-53.8	0	0	0	0	110.7	Y419 L420	Y419-T426 VanDerWaalsContact CD1-C 3.46Å; Y419-T426 VanDerWaalsContact CD1-O 3.24Å; Y419-T426 WeakPolarHBondContact CD1-O 3.38Å; L420-T426 HydrophobicContact CD1-CG2 3.63Å; L420-T426 HydrophobicContact CG-CG2 4.32Å; L420-T426 PolarHBondContact N-O 2.91Å
427	K	95.5	Very high	94.2	Very high	95 Å²	95	66.9 Å²	66.9	41%	0.413	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-65.7	141.7	175.8	-67.5	-177.2	175.7	-167.2	0	110.4	E380 V417 Y419 I429	E380-K427 WeakPolarHBondContact OE2-CE 3.36Å; E380-K427 IonicContact OE2-NZ 3.63Å; E380-K427 PolarHBondContact OE2-NZ 3.06Å; V417-K427 HydrophobicContact CG1-CD 3.92Å; V417-K427 HydrophobicContact CG1-CG 4.02Å; Y419-K427 HydrophobicContact CD1-CG 4.42Å; Y419-K427 HydrophobicContact CE1-CB 4.48Å; Y419-K427 HydrophobicContact CE1-CG 3.69Å; Y419-K427 HydrophobicContact CE2-CG 4.23Å; Y419-K427 VanDerWaalsContact OH-CE 3.26Å; Y419-K427 WeakPolarHBondContact OH-CE 3.25Å; K427-I429 PolarHBondContact O-N 3.46Å
428	M	92.6	Very high	94.1	Very high	87 Å²	87	66.5 Å²	66.5	43%	0.429	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-74.8	122.2	168.4	-172	157.1	170.2	0	0	108.8	E418 L420	E418-M428 HydrophobicContact CB-CB 4.04Å; E418-M428 VanDerWaalsContact CD-SD 3.54Å; E418-M428 HydrophobicContact CG-CB 4.01Å; E418-M428 HydrophobicContact CG-SD 3.97Å; E418-M428 PolarHBondContact O-N 2.78Å; L420-M428 HydrophobicContact CD2-CB 4.37Å; L420-M428 HydrophobicContact CD2-CG 4.41Å
429	I	91.3	Very high	94.1	Very high	159 Å²	159	64.8 Å²	64.8	82%	0.815	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-81.5	124.4	-178.3	-59.2	175.5	0	0	0	108.2	K427	K427-I429 PolarHBondContact O-N 3.46Å
430	R	90.8	Very high	94.1	Very high	77 Å²	77	64.5 Å²	64.5	29%	0.291	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-59.2	137.3	174.4	-72.6	-172.9	-175.6	168.5	4.4	111.2	E434 G438 L440	R430-E434 WeakPolarHBondContact CA-OE2 3.19Å; R430-E434 HydrophobicContact CB-CB 4.02Å; R430-E434 HydrophobicContact CG-CB 4.32Å; R430-G438 PolarHBondContact NH1-O 2.67Å; R430-L440 PolarHBondContact NH2-O 3.32Å
431	S	89.3	Confident	94.2	Very high	41 Å²	41	59.7 Å²	59.7	29%	0.287	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-71.1	164.3	173.9	89.9	0	0	0	0	111.2	E433 E434 Q435	S431-E433 VanDerWaalsContact CB-OE2 3.28Å; S431-E433 WeakPolarHBondContact CB-OE2 3.28Å; S431-E433 PolarHBondContact O-N 3.05Å; S431-E433 PolarHBondContact OG-N 2.82Å; S431-E433 PolarHBondContact OG-OE2 2.76Å; S431-E434 PolarHBondContact N-OE2 2.94Å; S431-E434 PolarHBondContact O-N 2.78Å; S431-E434 PolarHBondContact OG-N 3.36Å; S431-Q435 PolarHBondContact O-N 2.82Å
432	P	88.6	Confident	94.3	Very high	101 Å²	101	57.3 Å²	57.3	66%	0.656	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-55	-32.8	172.3	-26	35.6	0	0	0	113.2	E434 Q435	P432-E434 VanDerWaalsContact C-N 3.29Å; P432-E434 PolarHBondContact O-N 2.93Å; P432-Q435 WeakPolarHBondContact O-CB 3.07Å; P432-Q435 PolarHBondContact O-N 3.12Å
433	E	87.8	Confident	94.4	Very high	103 Å²	103	52.1 Å²	52.1	48%	0.481	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-68.6	-26.8	176.3	-60.8	73.7	-159.8	0	0	112.6	S431 H436	S431-E433 VanDerWaalsContact CB-OE2 3.28Å; S431-E433 WeakPolarHBondContact CB-OE2 3.28Å; S431-E433 PolarHBondContact O-N 3.05Å; S431-E433 PolarHBondContact OG-N 2.82Å; S431-E433 PolarHBondContact OG-OE2 2.76Å; E433-H436 PolarHBondContact O-CE1 3.12Å; E433-H436 PolarHBondContact O-ND1 2.81Å
434	E	93.1	Very high	94.5	Very high	44 Å²	44	49 Å²	49	21%	0.206	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-93.1	1.9	-179.1	-66.8	177.2	139.2	0	0	113.2	R430 S431 P432 H436 L437	R430-E434 WeakPolarHBondContact CA-OE2 3.19Å; R430-E434 HydrophobicContact CB-CB 4.02Å; R430-E434 HydrophobicContact CG-CB 4.32Å; S431-E434 PolarHBondContact N-OE2 2.94Å; S431-E434 PolarHBondContact O-N 2.78Å; S431-E434 PolarHBondContact OG-N 3.36Å; P432-E434 VanDerWaalsContact C-N 3.29Å; P432-E434 PolarHBondContact O-N 2.93Å; E434-H436 PolarHBondContact O-N 3.23Å; E434-H436 VanDerWaalsContact O-N 3.16Å; E434-L437 HydrophobicContact CB-CD1 3.96Å; E434-L437 HydrophobicContact CB-CG 4.43Å; E434-L437 HydrophobicContact CG-CD1 4.28Å; E434-L437 WeakPolarHBondContact O-CB 3.42Å; E434-L437 WeakPolarHBondContact O-CG 3.46Å; E434-L437 PolarHBondContact O-N 3.09Å
435	Q	94.1	Very high	94.4	Very high	110 Å²	110	50.4 Å²	50.4	51%	0.514	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-58.3	-31.4	-180	-163.5	-175.7	-1.7	0	0	112	S431 P432 L437 P635	S431-Q435 PolarHBondContact O-N 2.82Å; P432-Q435 WeakPolarHBondContact O-CB 3.07Å; P432-Q435 PolarHBondContact O-N 3.12Å; Q435-L437 PolarHBondContact O-N 2.82Å; Q435-P635 HydrophobicContact CG-CB 4.21Å; Q435-P635 HydrophobicContact CG-CG 3.84Å
436	H	96.5	Very high	94.4	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.019	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-65.7	-18.7	177.9	72.6	-88	0	0	0	113.8	E433 E434 G438 F581 H582 N627 L634 P635 L637	E433-H436 PolarHBondContact O-CE1 3.12Å; E433-H436 PolarHBondContact O-ND1 2.81Å; E434-H436 PolarHBondContact O-N 3.23Å; E434-H436 VanDerWaalsContact O-N 3.16Å; H436-G438 PolarHBondContact O-N 2.92Å; H436-G438 VanDerWaalsContact O-N 3.13Å; H436-F581 AromaticContact CE1-CD1 3.97Å; H436-F581 AromaticContact ND1-CD1 3.87Å; H436-H582 PolarHBondContact CD2-N 3.22Å; H436-H582 PolarHBondContact CD2-O 3.43Å; H436-H582 AromaticContact NE2-CD2 3.86Å; H436-H582 PolarHBondContact NE2-N 3.23Å; H436-N627 PolarHBondContact O-ND2 3.32Å; H436-L634 WeakPolarHBondContact O-CD1 3.17Å; H436-P635 WeakPolarHBondContact CA-O 3.46Å; H436-P635 WeakPolarHBondContact CB-O 3.22Å; H436-L637 HydrophobicContact CB-CD2 3.74Å; H436-L637 HydrophobicContact CB-CG 4.4Å
437	L	97.3	Very high	94.4	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-61.7	-23.6	-178.7	-69	177	0	0	0	112.9	E434 Q435 I439 L440 V443 H582	E434-L437 HydrophobicContact CB-CD1 3.96Å; E434-L437 HydrophobicContact CB-CG 4.43Å; E434-L437 HydrophobicContact CG-CD1 4.28Å; E434-L437 WeakPolarHBondContact O-CB 3.42Å; E434-L437 WeakPolarHBondContact O-CG 3.46Å; E434-L437 PolarHBondContact O-N 3.09Å; Q435-L437 PolarHBondContact O-N 2.82Å; L437-I439 PolarHBondContact O-N 2.94Å; L437-I439 VanDerWaalsContact O-N 3.15Å; L437-L440 HydrophobicContact CD2-CD1 4.47Å; L437-L440 WeakPolarHBondContact O-CB 3.08Å; L437-L440 VanDerWaalsContact O-CG 3.31Å; L437-L440 WeakPolarHBondContact O-CG 3.22Å; L437-L440 PolarHBondContact O-N 3.38Å; L437-V443 HydrophobicContact CD1-CG2 3.99Å; L437-V443 HydrophobicContact CD2-CG2 3.95Å; L437-H582 HydrophobicContact CD2-CB 3.77Å
438	G	96.3	Very high	94.2	Very high	4 Å²	4	40 Å²	40	4%	0.041	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	-120.9	174.4	0	0	0	0	0	113	R430 H436 L440	R430-G438 PolarHBondContact NH1-O 2.67Å; H436-G438 PolarHBondContact O-N 2.92Å; H436-G438 VanDerWaalsContact O-N 3.13Å; G438-L440 VanDerWaalsContact C-N 3.29Å; G438-L440 PolarHBondContact O-N 3.27Å
439	I	96.9	Very high	94.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-17.5	-179.8	-160.3	170.4	0	0	0	113.7	W384 K413 R415 L437 F588 N627	W384-I439 HydrophobicContact CD2-CB 4.21Å; W384-I439 HydrophobicContact CD2-CD1 4.14Å; W384-I439 HydrophobicContact CD2-CG1 4.14Å; W384-I439 HydrophobicContact CE3-CB 4.4Å; W384-I439 HydrophobicContact CE3-CG1 4.3Å; W384-I439 HydrophobicContact CG-CD1 4.11Å; W384-I439 HydrophobicContact CH2-CB 4.07Å; W384-I439 HydrophobicContact CZ2-CB 3.81Å; W384-I439 HydrophobicContact CZ3-CB 4.34Å; K413-I439 HydrophobicContact CD-CD1 3.56Å; R415-I439 WeakPolarHBondContact CD-O 3.24Å; R415-I439 WeakPolarHBondContact CG-O 3.24Å; L437-I439 PolarHBondContact O-N 2.94Å; L437-I439 VanDerWaalsContact O-N 3.15Å; I439-F588 HydrophobicContact CD1-CE1 4.32Å; I439-F588 HydrophobicContact CD1-CZ 4.2Å; I439-F588 HydrophobicContact CG2-CE2 4.14Å; I439-F588 HydrophobicContact CG2-CZ 3.7Å; I439-N627 WeakPolarHBondContact CG2-O 3.33Å; I439-N627 PolarHBondContact N-O 3.18Å
440	L	98.1	Very high	94.4	Very high	2 Å²	2	33 Å²	33	1%	0.01	16%	0.163	C	C	.	.	S	Bend	trans	-62.3	153.1	-175.8	-59.6	-179.8	0	0	0	112.4	R430 L437 G438 V558 M584 N627	R430-L440 PolarHBondContact NH2-O 3.32Å; L437-L440 HydrophobicContact CD2-CD1 4.47Å; L437-L440 WeakPolarHBondContact O-CB 3.08Å; L437-L440 VanDerWaalsContact O-CG 3.31Å; L437-L440 WeakPolarHBondContact O-CG 3.22Å; L437-L440 PolarHBondContact O-N 3.38Å; G438-L440 VanDerWaalsContact C-N 3.29Å; G438-L440 PolarHBondContact O-N 3.27Å; L440-V558 HydrophobicContact CD2-CG1 3.93Å; L440-M584 HydrophobicContact CD1-CB 4.12Å; L440-M584 HydrophobicContact CD2-CB 3.76Å; L440-M584 HydrophobicContact CD2-CE 3.66Å; L440-M584 HydrophobicContact CD2-CG 4.33Å; L440-M584 HydrophobicContact CD2-SD 3.59Å; L440-M584 VanDerWaalsContact CD2-SD 3.59Å; L440-M584 HydrophobicContact CG-CB 4.46Å; L440-N627 WeakPolarHBondContact CD1-OD1 3.43Å
441	G	97.8	Very high	94.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.			trans	-64.6	175.8	168	0	0	0	0	0	114	Y543 V558	G441-Y543 WeakPolarHBondContact CA-OH 3.44Å; G441-V558 PolarHBondContact N-O 3.41Å
442	P	97	Very high	94.9	Very high	9 Å²	9	28.5 Å²	28.5	6%	0.058	14%	0.143	C	C	.	.			trans	-60.6	152.9	171.2	29.5	-38.7	0	0	0	112.1	I377 E418 L444 Y543	I377-P442 HydrophobicContact CD1-CG 3.68Å; I377-P442 HydrophobicContact CG1-CG 3.99Å; E418-P442 HydrophobicContact CB-CB 3.81Å; E418-P442 HydrophobicContact CB-CG 3.88Å; E418-P442 HydrophobicContact CG-CB 4.35Å; E418-P442 VanDerWaalsContact OE2-CB 3.27Å; E418-P442 WeakPolarHBondContact OE2-CB 3.38Å; P442-L444 PolarHBondContact O-N 3.3Å; P442-Y543 WeakPolarHBondContact CD-OH 3.4Å; P442-Y543 WeakPolarHBondContact CG-OH 3Å; P442-Y543 WeakPolarHBondContact O-CE1 3.5Å; P442-Y543 PolarHBondContact O-OH 2.9Å
443	V	96.7	Very high	95.3	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	12%	0.124	C	C	.	.			trans	-82.1	112.7	179.6	-174.6	0	0	0	0	110.1	L437 R445 P560 L562	L437-V443 HydrophobicContact CD1-CG2 3.99Å; L437-V443 HydrophobicContact CD2-CG2 3.95Å; V443-R445 HydrophobicContact CG1-CG 3.9Å; V443-R445 PolarHBondContact O-NH1 3.23Å; V443-P560 WeakPolarHBondContact CA-O 3.44Å; V443-P560 HydrophobicContact CB-CG 4.08Å; V443-P560 HydrophobicContact CG1-CG 4.2Å; V443-P560 HydrophobicContact CG2-CG 3.64Å; V443-L562 HydrophobicContact CG1-CD1 4.12Å; V443-L562 HydrophobicContact CG1-CG 4.03Å
444	L	97	Very high	95.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	133.8	173.1	-61.5	-174.7	0	0	0	109.6	F375 I377 P442 V454 W523 Y543 P560 L561 L562	F375-L444 HydrophobicContact CB-CD2 3.97Å; F375-L444 HydrophobicContact CD1-CD2 3.55Å; F375-L444 HydrophobicContact CD2-CD2 3.63Å; F375-L444 HydrophobicContact CE1-CD2 3.86Å; F375-L444 HydrophobicContact CE2-CD2 3.93Å; F375-L444 HydrophobicContact CG-CD2 3.42Å; F375-L444 VanDerWaalsContact CG-CD2 3.42Å; F375-L444 HydrophobicContact CZ-CD2 4.05Å; I377-L444 HydrophobicContact CD1-CD2 3.81Å; I377-L444 HydrophobicContact CD1-CG 4.49Å; P442-L444 PolarHBondContact O-N 3.3Å; L444-V454 HydrophobicContact CD1-CG2 4.11Å; L444-W523 HydrophobicContact CD1-CH2 4.19Å; L444-W523 HydrophobicContact CD1-CZ3 3.73Å; L444-Y543 HydrophobicContact CB-CE1 4.35Å; L444-Y543 HydrophobicContact CD1-CD1 3.57Å; L444-Y543 HydrophobicContact CD1-CE1 3.65Å; L444-Y543 HydrophobicContact CD1-CG 4.05Å; L444-Y543 HydrophobicContact CG-CD1 3.93Å; L444-Y543 HydrophobicContact CG-CE1 3.56Å; L444-P560 PolarHBondContact N-O 3.23Å; L444-L561 HydrophobicContact CB-CB 4.35Å; L444-L561 HydrophobicContact CB-CD1 4.45Å; L444-L561 HydrophobicContact CB-CG 4.16Å; L444-L561 HydrophobicContact CD1-CD1 4.48Å; L444-L561 CarbonylContact O-C 3.47Å; L444-L561 WeakPolarHBondContact O-CA 3.44Å; L444-L562 PolarHBondContact O-N 3.13Å
445	R	95	Very high	96.1	Very high	38 Å²	38	20.3 Å²	20.3	14%	0.143	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.3	-176.4	-58.6	-178.8	180	87.1	-7.2	111.3	V443 L562 L569 G572 E580	V443-R445 HydrophobicContact CG1-CG 3.9Å; V443-R445 PolarHBondContact O-NH1 3.23Å; R445-L562 HydrophobicContact CG-CB 4.22Å; R445-L562 HydrophobicContact CG-CD1 4.26Å; R445-L562 HydrophobicContact CG-CG 4.46Å; R445-L569 HydrophobicContact CB-CD1 4.06Å; R445-G572 WeakPolarHBondContact CD-O 3.16Å; R445-G572 PolarHBondContact NE-O 3.22Å; R445-E580 IonicContact CZ-OE1 3.41Å; R445-E580 IonicContact NE-OE1 3.2Å; R445-E580 PolarHBondContact NE-OE1 2.77Å; R445-E580 IonicContact NH2-OE1 3.8Å; R445-E580 PolarHBondContact NH2-OE1 3.5Å
446	A	95.3	Very high	96.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	148.8	176.3	0	0	0	0	0	111	R373 D450 I452 V525 L562 C564	R373-A446 HydrophobicContact CG-CB 4.34Å; A446-D450 HydrophobicContact CB-CB 4.04Å; A446-I452 HydrophobicContact CB-CD1 3.59Å; A446-I452 HydrophobicContact CB-CG1 3.57Å; A446-V525 HydrophobicContact CB-CG2 3.66Å; A446-L562 PolarHBondContact N-O 2.95Å; A446-C564 PolarHBondContact O-N 3.37Å
447	E	94.9	Very high	96.4	Very high	23 Å²	23	17.5 Å²	17.5	11%	0.107	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	163.2	167.3	-58	-170.5	159	0	0	110.5	K449 D450 C564 P566 G567 S568 L569	E447-K449 PolarHBondContact O-N 3.13Å; E447-D450 PolarHBondContact N-OD2 3.29Å; E447-D450 VanDerWaalsContact O-CB 3.22Å; E447-D450 WeakPolarHBondContact O-CB 3.45Å; E447-D450 PolarHBondContact O-N 3.15Å; E447-C564 CarbonylContact C-O 3.53Å; E447-C564 VanDerWaalsContact CA-O 3.25Å; E447-C564 WeakPolarHBondContact CA-O 3.37Å; E447-C564 HydrophobicContact CG-CB 4.36Å; E447-P566 WeakPolarHBondContact OE2-CA 3.28Å; E447-G567 WeakPolarHBondContact OE1-CA 3.3Å; E447-G567 PolarHBondContact OE1-N 3.05Å; E447-G567 PolarHBondContact OE2-N 2.99Å; E447-S568 PolarHBondContact OE1-N 2.72Å; E447-L569 HydrophobicContact CG-CB 4.26Å; E447-L569 HydrophobicContact CG-CD1 3.8Å; E447-L569 HydrophobicContact CG-CG 3.96Å; E447-L569 WeakPolarHBondContact OE1-CB 3.31Å; E447-L569 PolarHBondContact OE1-N 2.87Å
448	E	92.4	Very high	96.4	Very high	31 Å²	31	17.5 Å²	17.5	15%	0.145	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	137.7	168.5	-69.4	-179.8	-141.5	0	0	111.5	D450 G528 G530 C564 P566	E448-D450 PolarHBondContact O-N 2.73Å; E448-G528 PolarHBondContact OE2-N 3.24Å; E448-G528 VanDerWaalsContact OE2-N 3.08Å; E448-G530 WeakPolarHBondContact OE1-CA 3.19Å; E448-G530 PolarHBondContact OE1-N 3.34Å; E448-C564 PolarHBondContact N-O 3.21Å; E448-P566 HydrophobicContact CB-CG 3.92Å
449	K	92	Very high	96.5	Very high	94 Å²	94	21.6 Å²	21.6	41%	0.409	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-13.2	-174.4	-49.2	170.3	-179	171.4	0	115.7	P368 G370 E447 V525 V527	P368-K449 VanDerWaalsContact CB-CA 3.49Å; P368-K449 HydrophobicContact CB-CB 3.66Å; P368-K449 HydrophobicContact CB-CG 3.99Å; G370-K449 WeakPolarHBondContact CA-O 3.46Å; G370-K449 PolarHBondContact N-O 2.86Å; E447-K449 PolarHBondContact O-N 3.13Å; K449-V525 VanDerWaalsContact CA-O 3.25Å; K449-V525 WeakPolarHBondContact CA-O 3.23Å; K449-V525 PolarHBondContact N-O 3.49Å; K449-V527 HydrophobicContact CD-CG2 4.38Å; K449-V527 HydrophobicContact CG-CG2 3.88Å
450	D	94.6	Very high	96.5	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.027	10%	0.101	C	C	.	.			trans	-64.8	157	176.7	-72.4	-8.5	0	0	0	111.4	E371 R373 A446 E447 E448 V525	E371-D450 PolarHBondContact N-OD1 3Å; E371-D450 WeakPolarHBondContact O-CA 3.31Å; E371-D450 WeakPolarHBondContact O-CB 3.46Å; R373-D450 HydrophobicContact CG-CB 4.14Å; R373-D450 IonicContact CZ-OD2 2.6Å; R373-D450 VanDerWaalsContact CZ-OD2 3.23Å; R373-D450 IonicContact NE-OD2 3.46Å; R373-D450 PolarHBondContact NE-OD2 3.01Å; R373-D450 IonicContact NH2-OD2 3.89Å; R373-D450 PolarHBondContact NH2-OD2 3.16Å; A446-D450 HydrophobicContact CB-CB 4.04Å; E447-D450 PolarHBondContact N-OD2 3.29Å; E447-D450 VanDerWaalsContact O-CB 3.22Å; E447-D450 WeakPolarHBondContact O-CB 3.45Å; E447-D450 PolarHBondContact O-N 3.15Å; E448-D450 PolarHBondContact O-N 2.73Å; D450-V525 PolarHBondContact O-N 2.72Å
451	T	95.1	Very high	96.4	Very high	24 Å²	24	25.5 Å²	25.5	15%	0.147	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.1	170	-58.5	0	0	0	0	108.8	E371 L372 R373 E522 W523 T524	E371-T451 PolarHBondContact O-N 3.23Å; L372-T451 HydrophobicContact CD1-CG2 4.07Å; R373-T451 PolarHBondContact N-O 3.25Å; T451-E522 HydrophobicContact CG2-CG 3.63Å; T451-W523 CarbonylContact C-O 3.56Å; T451-W523 WeakPolarHBondContact CA-O 3.23Å; T451-W523 WeakPolarHBondContact CG2-O 3.43Å; T451-T524 HydrophobicContact CG2-CG2 4.48Å
452	I	96.6	Very high	96.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126.1	174.3	-56.3	176.5	0	0	0	108.2	R373 F375 A446 V454 V471 E522 W523 L561	R373-I452 WeakPolarHBondContact O-CA 3.34Å; F375-I452 HydrophobicContact CD2-CG2 4.06Å; F375-I452 HydrophobicContact CE2-CG2 4.07Å; A446-I452 HydrophobicContact CB-CD1 3.59Å; A446-I452 HydrophobicContact CB-CG1 3.57Å; I452-V454 HydrophobicContact CG2-CG2 3.87Å; I452-V471 HydrophobicContact CD1-CG1 4.15Å; I452-E522 WeakPolarHBondContact O-CA 3.41Å; I452-W523 HydrophobicContact CB-CB 4.43Å; I452-W523 HydrophobicContact CB-CE3 3.93Å; I452-W523 HydrophobicContact CD1-CE3 4.3Å; I452-W523 HydrophobicContact CG2-CE3 3.65Å; I452-W523 HydrophobicContact CG2-CZ3 3.94Å; I452-W523 PolarHBondContact N-O 2.8Å; I452-W523 PolarHBondContact O-N 3.31Å; I452-L561 HydrophobicContact CD1-CD1 4.17Å
453	K	97.5	Very high	96.3	Very high	61 Å²	61	31.3 Å²	31.3	27%	0.265	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	111.1	176.1	-174.9	177.2	-175.4	176.1	0	110.1	L372 R373 Q374 F375 I455 T520 Y521	L372-K453 HydrophobicContact CD1-CB 3.83Å; L372-K453 HydrophobicContact CD1-CD 4.34Å; R373-K453 PolarHBondContact O-N 3.44Å; Q374-K453 CarbonylContact C-O 3.16Å; Q374-K453 WeakPolarHBondContact CA-O 3.38Å; Q374-K453 HydrophobicContact CG-CB 4.48Å; Q374-K453 HydrophobicContact CG-CD 4.5Å; F375-K453 PolarHBondContact N-O 2.99Å; K453-I455 HydrophobicContact CG-CD1 4.18Å; K453-T520 HydrophobicContact CD-CG2 4.26Å; K453-T520 HydrophobicContact CG-CG2 3.82Å; K453-Y521 CarbonylContact C-O 3.55Å; K453-Y521 VanDerWaalsContact CA-O 3.32Å; K453-Y521 WeakPolarHBondContact CA-O 3.31Å
454	V	98.3	Very high	96.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.1	-180	-172.7	0	0	0	0	109.6	I377 L444 I452 F456 I466 T520 Y521 W523	I377-V454 HydrophobicContact CB-CG1 4.18Å; I377-V454 HydrophobicContact CD1-CG1 3.95Å; I377-V454 HydrophobicContact CG1-CG1 4.14Å; L444-V454 HydrophobicContact CD1-CG2 4.11Å; I452-V454 HydrophobicContact CG2-CG2 3.87Å; V454-F456 PolarHBondContact O-N 2.97Å; V454-I466 HydrophobicContact CG1-CD1 3.72Å; V454-T520 WeakPolarHBondContact O-CA 3.25Å; V454-Y521 PolarHBondContact N-O 2.9Å; V454-Y521 PolarHBondContact O-N 2.04Å; V454-W523 HydrophobicContact CB-CH2 4.37Å; V454-W523 HydrophobicContact CG2-CE3 4.32Å; V454-W523 HydrophobicContact CG2-CH2 3.63Å; V454-W523 HydrophobicContact CG2-CZ2 4.35Å; V454-W523 HydrophobicContact CG2-CZ3 3.63Å
455	I	98.4	Very high	96.4	Very high	15 Å²	15	31.1 Å²	31.1	8%	0.077	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	104.5	170.6	-57.7	81.5	0	0	0	106.5	Q374 F375 F376 I377 F424 K453 V518 T520	Q374-I455 HydrophobicContact CG-CD1 3.44Å; Q374-I455 VanDerWaalsContact CG-CD1 3.44Å; F375-I455 WeakPolarHBondContact O-CD1 3.47Å; F375-I455 PolarHBondContact O-N 3.14Å; F376-I455 HydrophobicContact CD1-CB 3.83Å; F376-I455 HydrophobicContact CD1-CD1 3.99Å; F376-I455 HydrophobicContact CD1-CG1 4.12Å; F376-I455 HydrophobicContact CD1-CG2 4.33Å; F376-I455 HydrophobicContact CE1-CB 4.33Å; F376-I455 HydrophobicContact CE1-CD1 3.83Å; F376-I455 HydrophobicContact CE1-CG1 4.12Å; I377-I455 PolarHBondContact N-O 2.96Å; F424-I455 HydrophobicContact CE2-CG2 4.24Å; F424-I455 HydrophobicContact CZ-CG2 3.97Å; F424-I455 WeakPolarHBondContact CZ-O 3.48Å; K453-I455 HydrophobicContact CG-CD1 4.18Å; I455-V518 HydrophobicContact CG2-CG1 3.67Å; I455-T520 HydrophobicContact CG1-CG2 4.23Å
456	F	98.5	Very high	96.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.8	-176.3	176.5	-118.3	0	0	0	111.6	I377 A379 Y416 V454 N458 Y464 I466 V513 V518 Y519 Y521	I377-F456 HydrophobicContact CG2-CD2 4.38Å; I377-F456 CarbonylContact O-C 3.6Å; I377-F456 VanDerWaalsContact O-CA 3.24Å; I377-F456 WeakPolarHBondContact O-CA 3.4Å; I377-F456 WeakPolarHBondContact O-CD2 3.33Å; A379-F456 HydrophobicContact CB-CE2 3.77Å; A379-F456 HydrophobicContact CB-CZ 3.71Å; Y416-F456 HydrophobicContact CD1-CE2 4.16Å; Y416-F456 AromaticContact CE1-CE2 3.84Å; Y416-F456 HydrophobicContact CE1-CE2 3.84Å; Y416-F456 HydrophobicContact CE1-CZ 4.39Å; V454-F456 PolarHBondContact O-N 2.97Å; F456-N458 HydrophobicContact CE1-CB 4.04Å; F456-N458 HydrophobicContact CZ-CB 4.22Å; F456-Y464 WeakPolarHBondContact CE1-O 3.36Å; F456-I466 HydrophobicContact CB-CD1 3.89Å; F456-I466 HydrophobicContact CB-CG1 4.47Å; F456-I466 HydrophobicContact CD2-CD1 3.52Å; F456-I466 HydrophobicContact CD2-CG1 3.95Å; F456-I466 HydrophobicContact CE2-CD1 4.2Å; F456-I466 HydrophobicContact CE2-CG1 4.26Å; F456-I466 HydrophobicContact CG-CD1 3.8Å; F456-I466 HydrophobicContact CG-CG1 4.05Å; F456-V513 HydrophobicContact CD1-CB 4.05Å; F456-V513 HydrophobicContact CD1-CG1 3.94Å; F456-V513 HydrophobicContact CD1-CG2 4.04Å; F456-V513 HydrophobicContact CE1-CB 3.95Å; F456-V513 HydrophobicContact CE1-CG1 4.06Å; F456-V513 HydrophobicContact CE1-CG2 4.31Å; F456-V518 CarbonylContact O-C 3.49Å; F456-V518 VanDerWaalsContact O-CA 3.24Å; F456-V518 WeakPolarHBondContact O-CA 3.38Å; F456-V518 WeakPolarHBondContact O-CG1 3.25Å; F456-Y519 PolarHBondContact N-O 2.8Å; F456-Y519 PolarHBondContact O-N 3.05Å; F456-Y521 HydrophobicContact CB-CD2 4.11Å; F456-Y521 HydrophobicContact CB-CE2 3.75Å; F456-Y521 HydrophobicContact CD1-CE2 4.18Å; F456-Y521 HydrophobicContact CG-CE2 4.25Å
457	K	98.2	Very high	96.6	Very high	56 Å²	56	29.3 Å²	29.3	24%	0.243	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121	171.1	-176.2	173.5	-178.3	173.7	0	110.7	I377 A378 A379 F424 K459 V518	I377-K457 PolarHBondContact O-N 3.3Å; A378-K457 WeakPolarHBondContact CA-O 3.46Å; A378-K457 HydrophobicContact CB-CB 4.35Å; A378-K457 VanDerWaalsContact CB-O 3.26Å; A378-K457 WeakPolarHBondContact CB-O 3.44Å; A379-K457 PolarHBondContact N-O 3.02Å; F424-K457 HydrophobicContact CB-CD 3.74Å; F424-K457 HydrophobicContact CD1-CB 3.83Å; F424-K457 HydrophobicContact CD1-CD 4.2Å; F424-K457 HydrophobicContact CD2-CB 3.86Å; F424-K457 HydrophobicContact CD2-CD 3.4Å; F424-K457 HydrophobicContact CD2-CG 4.27Å; F424-K457 HydrophobicContact CE1-CB 3.63Å; F424-K457 HydrophobicContact CE2-CB 3.67Å; F424-K457 HydrophobicContact CE2-CD 4.01Å; F424-K457 HydrophobicContact CE2-CG 4.45Å; F424-K457 HydrophobicContact CG-CB 3.93Å; F424-K457 HydrophobicContact CG-CD 3.51Å; F424-K457 HydrophobicContact CG-CG 4.38Å; F424-K457 HydrophobicContact CZ-CB 3.55Å; K457-K459 HydrophobicContact CD-CD 4.37Å; K457-K459 HydrophobicContact CD-CG 4.11Å; K457-K459 HydrophobicContact CG-CG 3.99Å; K457-K459 PolarHBondContact O-N 2.94Å; K457-V518 HydrophobicContact CB-CG2 3.93Å; K457-V518 HydrophobicContact CD-CG2 4.17Å; K457-V518 HydrophobicContact CG-CG2 3.82Å
458	N	98.2	Very high	96.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	106.7	174.4	-171	-6.9	0	0	0	110.2	F456 A460 R462 Y464 V513 G516 T517	F456-N458 HydrophobicContact CE1-CB 4.04Å; F456-N458 HydrophobicContact CZ-CB 4.22Å; N458-A460 PolarHBondContact OD1-N 3.16Å; N458-R462 PolarHBondContact ND2-O 3.26Å; N458-Y464 PolarHBondContact ND2-N 3.12Å; N458-V513 HydrophobicContact CB-CG1 4.17Å; N458-V513 PolarHBondContact ND2-O 2.69Å; N458-G516 WeakPolarHBondContact O-CA 3.35Å; N458-G516 PolarHBondContact O-N 2.98Å; N458-T517 PolarHBondContact N-O 2.86Å
459	K	98	Very high	96.9	Very high	91 Å²	91	26.9 Å²	26.9	40%	0.396	13%	0.133	S	C	.	.			trans	-102	1.8	175.6	-64.7	175.7	67	-172.2	0	112.5	A378 A379 E380 Y419 K457	A378-K459 HydrophobicContact CB-CD 3.96Å; A378-K459 HydrophobicContact CB-CG 4.31Å; A379-K459 CarbonylContact O-C 3.5Å; A379-K459 WeakPolarHBondContact O-CA 3.33Å; A379-K459 WeakPolarHBondContact O-CB 3.35Å; A379-K459 PolarHBondContact O-N 3.24Å; E380-K459 HydrophobicContact CG-CB 4.28Å; E380-K459 HydrophobicContact CG-CD 4.35Å; E380-K459 WeakPolarHBondContact OE1-CD 3.33Å; E380-K459 WeakPolarHBondContact OE1-CE 3.31Å; E380-K459 IonicContact OE1-NZ 2.88Å; E380-K459 PolarHBondContact OE1-NZ 3.03Å; Y419-K459 PolarHBondContact OH-NZ 3.09Å; K457-K459 HydrophobicContact CD-CD 4.37Å; K457-K459 HydrophobicContact CD-CG 4.11Å; K457-K459 HydrophobicContact CG-CG 3.99Å; K457-K459 PolarHBondContact O-N 2.94Å
460	A	97.5	Very high	96.9	Very high	8 Å²	8	22.4 Å²	22.4	7%	0.066	11%	0.113	C	C	.	.	S	Bend	trans	-85.2	174.9	178	0	0	0	0	0	111.8	A379 E381 V414 N458 R462 Y464 P515	A379-A460 PolarHBondContact O-N 3.17Å; E381-A460 HydrophobicContact CG-CB 3.96Å; V414-A460 HydrophobicContact CG2-CB 4.01Å; N458-A460 PolarHBondContact OD1-N 3.16Å; A460-R462 VanDerWaalsContact C-N 3.35Å; A460-Y464 HydrophobicContact CB-CD2 3.79Å; A460-Y464 HydrophobicContact CB-CE2 3.53Å; A460-P515 WeakPolarHBondContact O-CB 3.29Å
461	S	96.4	Very high	96.9	Very high	77 Å²	77	22.3 Å²	22.3	54%	0.538	11%	0.113	S	C	.	.	S	Bend	trans	-81.4	-8.8	-177.3	62.9	0	0	0	0	114.8	E381	E381-S461 VanDerWaalsContact OE1-CB 3.23Å; E381-S461 WeakPolarHBondContact OE1-CB 3.22Å; E381-S461 PolarHBondContact OE1-N 3.45Å; E381-S461 PolarHBondContact OE1-OG 3.14Å
462	R	95.7	Very high	96.8	Very high	90 Å²	90	22 Å²	22	34%	0.34	11%	0.11	S	C	.	.	S	Bend	trans	-127.3	155.3	-174.2	-57.2	-170.3	75.4	82.3	-1.8	111.3	N458 A460 Y464 W594	N458-R462 PolarHBondContact ND2-O 3.26Å; A460-R462 VanDerWaalsContact C-N 3.35Å; R462-Y464 HydrophobicContact CB-CE1 4.35Å; R462-Y464 HydrophobicContact CB-CE2 4.09Å; R462-Y464 WeakPolarHBondContact O-CD2 3.45Å; R462-W594 VanDerWaalsContact CZ-CE3 3.41Å; R462-W594 VanDerWaalsContact NE-CD2 3.34Å
463	P	96.3	Very high	96.7	Very high	41 Å²	41	22.3 Å²	22.3	27%	0.266	11%	0.111	S	C	.	.			trans	-64.2	136.1	170.9	28.7	-34.1	0	0	0	110.2	L512 V513 V547	P463-L512 HydrophobicContact CB-CD1 3.79Å; P463-L512 HydrophobicContact CB-CG 4.38Å; P463-L512 HydrophobicContact CG-CD1 4.11Å; P463-V513 WeakPolarHBondContact CA-O 3.31Å; P463-V547 HydrophobicContact CG-CG1 4.49Å
464	Y	97.6	Very high	96.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-142	161.8	177.8	-68.4	-52.2	0	0	0	108.8	A379 V414 F456 N458 A460 R462 V513 S545 D552 L557 W594 Y595	A379-Y464 HydrophobicContact CB-CD2 4.17Å; V414-Y464 HydrophobicContact CB-CE2 4.29Å; V414-Y464 HydrophobicContact CG1-CE2 4.12Å; V414-Y464 HydrophobicContact CG2-CD2 4.27Å; V414-Y464 HydrophobicContact CG2-CE2 3.8Å; F456-Y464 WeakPolarHBondContact CE1-O 3.36Å; N458-Y464 PolarHBondContact ND2-N 3.12Å; A460-Y464 HydrophobicContact CB-CD2 3.79Å; A460-Y464 HydrophobicContact CB-CE2 3.53Å; R462-Y464 HydrophobicContact CB-CE1 4.35Å; R462-Y464 HydrophobicContact CB-CE2 4.09Å; R462-Y464 WeakPolarHBondContact O-CD2 3.45Å; Y464-V513 PolarHBondContact N-O 3.16Å; Y464-V513 VanDerWaalsContact O-CB 3.24Å; Y464-V513 WeakPolarHBondContact O-CB 3.46Å; Y464-S545 WeakPolarHBondContact CA-OG 3.35Å; Y464-D552 WeakPolarHBondContact CE1-OD1 3.39Å; Y464-L557 HydrophobicContact CD1-CD1 3.34Å; Y464-L557 HydrophobicContact CD2-CD1 3.7Å; Y464-L557 HydrophobicContact CE1-CD1 3.82Å; Y464-L557 HydrophobicContact CE2-CD1 4.13Å; Y464-L557 HydrophobicContact CG-CD1 3.28Å; Y464-W594 AromaticContact CE1-CD1 3.95Å; Y464-Y595 PolarHBondContact OH-OH 2.95Å
465	T	97.4	Very high	95.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.			trans	-133.3	-175.7	-178.3	58.1	0	0	0	0	111.2	Y416 G479 A510 A511 Y521 S545 A546 V547	Y416-T465 PolarHBondContact OH-O 3.12Å; T465-G479 VanDerWaalsContact CB-O 3.22Å; T465-G479 WeakPolarHBondContact CB-O 3.36Å; T465-G479 WeakPolarHBondContact CG2-O 3.43Å; T465-G479 PolarHBondContact OG1-O 3.45Å; T465-A510 WeakPolarHBondContact CG2-O 3.3Å; T465-A511 WeakPolarHBondContact CG2-O 3.39Å; T465-Y521 WeakPolarHBondContact CA-OH 3.4Å; T465-Y521 WeakPolarHBondContact CB-OH 3.38Å; T465-S545 PolarHBondContact N-OG 2.73Å; T465-S545 WeakPolarHBondContact O-CA 3.46Å; T465-S545 WeakPolarHBondContact O-CB 3.37Å; T465-A546 PolarHBondContact OG1-N 2.9Å; T465-V547 HydrophobicContact CG2-CG2 3.48Å; T465-V547 VanDerWaalsContact CG2-CG2 3.48Å
466	I	98.1	Very high	95.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.			trans	-132.7	116.9	165.2	-58.2	-177.9	0	0	0	108.1	I377 Y416 V454 F456 Y521 W523 Y543 Y544	I377-I466 HydrophobicContact CB-CD1 4.38Å; I377-I466 HydrophobicContact CG2-CD1 4.2Å; Y416-I466 HydrophobicContact CD1-CD1 4.49Å; Y416-I466 HydrophobicContact CE1-CD1 4.07Å; Y416-I466 HydrophobicContact CE1-CG1 3.74Å; V454-I466 HydrophobicContact CG1-CD1 3.72Å; F456-I466 HydrophobicContact CB-CD1 3.89Å; F456-I466 HydrophobicContact CB-CG1 4.47Å; F456-I466 HydrophobicContact CD2-CD1 3.52Å; F456-I466 HydrophobicContact CD2-CG1 3.95Å; F456-I466 HydrophobicContact CE2-CD1 4.2Å; F456-I466 HydrophobicContact CE2-CG1 4.26Å; F456-I466 HydrophobicContact CG-CD1 3.8Å; F456-I466 HydrophobicContact CG-CG1 4.05Å; I466-Y521 HydrophobicContact CB-CD2 4.21Å; I466-Y521 HydrophobicContact CB-CE2 3.85Å; I466-Y521 HydrophobicContact CD1-CE2 4.49Å; I466-Y521 HydrophobicContact CG1-CE2 4.15Å; I466-Y521 PolarHBondContact N-OH 3.19Å; I466-Y521 WeakPolarHBondContact O-CE1 3.46Å; I466-W523 HydrophobicContact CB-CZ2 4.4Å; I466-W523 HydrophobicContact CG2-CH2 3.53Å; I466-W523 HydrophobicContact CG2-CZ2 3.78Å; I466-Y543 HydrophobicContact CG2-CD2 3.71Å; I466-Y543 HydrophobicContact CG2-CG 4.19Å; I466-Y544 CarbonylContact C-O 3.56Å; I466-Y544 WeakPolarHBondContact CA-O 3.24Å
467	Q	97.5	Very high	95	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.9	178.7	176.6	60.5	3.7	0	0	109.1	H302 Y473 D478 Y543 Y544 A546	H302-Q467 PolarHBondContact ND1-NE2 3.15Å; Q467-Y473 PolarHBondContact NE2-OH 3.26Å; Q467-D478 PolarHBondContact OE1-OD1 2.71Å; Q467-Y543 CarbonylContact O-C 3.57Å; Q467-Y543 WeakPolarHBondContact O-CA 3.43Å; Q467-Y544 HydrophobicContact CB-CE1 4.28Å; Q467-Y544 HydrophobicContact CB-CE2 4.34Å; Q467-Y544 HydrophobicContact CG-CE1 3.96Å; Q467-Y544 HydrophobicContact CG-CE2 4.24Å; Q467-Y544 PolarHBondContact N-O 3.04Å; Q467-Y544 WeakPolarHBondContact O-CD1 3.5Å; Q467-Y544 PolarHBondContact O-N 3.32Å; Q467-A546 HydrophobicContact CB-CB 3.69Å; Q467-A546 HydrophobicContact CG-CB 4.08Å
468	P	97.2	Very high	94.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	153.7	-176.8	39.7	-38.9	0	0	0	112.8	V471 Y473 W523 L561	P468-V471 HydrophobicContact CB-CG2 3.55Å; P468-V471 HydrophobicContact CG-CG2 3.41Å; P468-V471 VanDerWaalsContact CG-CG2 3.41Å; P468-Y473 HydrophobicContact CG-CD1 3.94Å; P468-Y473 HydrophobicContact CG-CE1 3.83Å; P468-W523 HydrophobicContact CB-CD2 4.07Å; P468-W523 HydrophobicContact CB-CE3 3.96Å; P468-W523 HydrophobicContact CB-CH2 3.98Å; P468-W523 HydrophobicContact CB-CZ2 4.08Å; P468-W523 HydrophobicContact CB-CZ3 3.91Å; P468-W523 HydrophobicContact CG-CD2 3.68Å; P468-W523 HydrophobicContact CG-CE3 4.11Å; P468-W523 HydrophobicContact CG-CG 4.07Å; P468-W523 HydrophobicContact CG-CH2 4.28Å; P468-W523 HydrophobicContact CG-CZ2 3.86Å; P468-W523 HydrophobicContact CG-CZ3 4.38Å; P468-L561 HydrophobicContact CB-CD1 4.06Å
469	H	96.1	Very high	94.5	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.009	12%	0.122	C	C	.	.	S	Bend	trans	-98.3	158	158.8	-71.4	-50.4	0	0	0	111.7	H300 D314 M315 V471 Y541 L542 Y544 H683	H300-H469 AromaticContact CD2-CE1 3.74Å; H300-H469 AromaticContact CD2-ND1 3.68Å; H300-H469 AromaticContact CE1-CE1 3.43Å; H300-H469 PolarHBondContact CE1-CE1 3.08Å; H300-H469 VanDerWaalsContact CE1-CE1 3.43Å; H300-H469 AromaticContact CE1-ND1 3.67Å; H300-H469 AromaticContact CG-CE1 3.91Å; H300-H469 AromaticContact ND1-CE1 3.68Å; H300-H469 AromaticContact NE2-CE1 3.45Å; H300-H469 PolarHBondContact NE2-CE1 2.65Å; H300-H469 AromaticContact NE2-ND1 3.25Å; H300-H469 PolarHBondContact NE2-ND1 3.22Å; D314-H469 WeakPolarHBondContact OD2-CA 3.16Å; D314-H469 WeakPolarHBondContact OD2-CB 3.38Å; D314-H469 IonicContact OD2-CG 3.29Å; D314-H469 IonicContact OD2-ND1 2.65Å; D314-H469 PolarHBondContact OD2-ND1 3.5Å; M315-H469 WeakPolarHBondContact CE-CE1 3.34Å; M315-H469 WeakPolarHBondContact CE-NE2 3.48Å; H469-V471 VanDerWaalsContact C-N 3.29Å; H469-V471 PolarHBondContact O-N 3.13Å; H469-Y541 HydrophobicContact CB-CD1 4Å; H469-Y541 HydrophobicContact CB-CG 4.35Å; H469-L542 WeakPolarHBondContact CB-O 3.24Å; H469-L542 PolarHBondContact N-O 2.81Å; H469-Y544 AromaticContact CD2-CE1 3.78Å; H469-Y544 AromaticContact CE1-CE1 3.7Å; H469-Y544 AromaticContact NE2-CD1 3.96Å; H469-Y544 AromaticContact NE2-CE1 3.16Å; H469-Y544 WeakPolarHBondContact NE2-CE1 3.45Å; H469-Y544 AromaticContact NE2-CZ 3.88Å; H469-H683 AromaticContact CD2-ND1 3.87Å; H469-H683 AromaticContact CE1-ND1 3.91Å; H469-H683 AromaticContact NE2-CE1 3.93Å; H469-H683 AromaticContact NE2-CG 3.8Å; H469-H683 AromaticContact NE2-ND1 2.92Å; H469-H683 PolarHBondContact NE2-ND1 2.75Å
470	G	92.9	Very high	94.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	73.8	10.1	169.6	0	0	0	0	0	116	I305 D314	I305-G470 VanDerWaalsContact CD1-C 3.46Å; D314-G470 PolarHBondContact OD2-N 3.25Å
471	V	94.3	Very high	93.8	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	12%	0.121	C	C	.	.	S	Bend	trans	-134.3	158.6	179.4	-60.3	0	0	0	0	111.6	I452 P468 H469 Y473 W523 V525 L561 V563	I452-V471 HydrophobicContact CD1-CG1 4.15Å; P468-V471 HydrophobicContact CB-CG2 3.55Å; P468-V471 HydrophobicContact CG-CG2 3.41Å; P468-V471 VanDerWaalsContact CG-CG2 3.41Å; H469-V471 VanDerWaalsContact C-N 3.29Å; H469-V471 PolarHBondContact O-N 3.13Å; V471-Y473 HydrophobicContact CG2-CD1 4.33Å; V471-W523 HydrophobicContact CB-CB 4.14Å; V471-W523 HydrophobicContact CG2-CB 3.72Å; V471-W523 HydrophobicContact CG2-CD2 4.22Å; V471-W523 HydrophobicContact CG2-CE3 4.29Å; V471-W523 HydrophobicContact CG2-CG 3.99Å; V471-V525 HydrophobicContact CG1-CG2 4.16Å; V471-L561 HydrophobicContact CG1-CD1 4.22Å; V471-L561 HydrophobicContact CG1-CD2 4.06Å; V471-V563 HydrophobicContact CG1-CG2 4.26Å
472	Q	93.3	Very high	93.5	Very high	19 Å²	19	19.8 Å²	19.8	9%	0.089	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-98	146.6	175.7	-72.7	-175.4	-31.1	0	0	111.4	I305 W523 T524 P526	I305-Q472 HydrophobicContact CG1-CG 3.87Å; Q472-W523 WeakPolarHBondContact O-CA 3.47Å; Q472-T524 PolarHBondContact N-O 2.78Å; Q472-T524 PolarHBondContact O-N 2.93Å; Q472-T524 PolarHBondContact O-OG1 3.22Å; Q472-P526 HydrophobicContact CG-CG 3.88Å
473	Y	92.9	Very high	92.8	Very high	6 Å²	6	18.5 Å²	18.5	2%	0.024	9%	0.093	C	C	.	.			trans	-151.6	161.3	178.5	47.7	-90.6	0	0	0	110.4	G303 N332 W336 Q467 P468 V471 D478	G303-Y473 PolarHBondContact N-OH 3.21Å; N332-Y473 PolarHBondContact ND2-O 3.18Å; W336-Y473 HydrophobicContact CH2-CD2 4.2Å; W336-Y473 HydrophobicContact CH2-CE2 4.26Å; W336-Y473 VanDerWaalsContact CH2-O 3.31Å; W336-Y473 WeakPolarHBondContact CH2-O 3.17Å; W336-Y473 HydrophobicContact CZ3-CD2 4.12Å; W336-Y473 AromaticContact CZ3-CE2 3.72Å; W336-Y473 HydrophobicContact CZ3-CE2 3.72Å; Q467-Y473 PolarHBondContact NE2-OH 3.26Å; P468-Y473 HydrophobicContact CG-CD1 3.94Å; P468-Y473 HydrophobicContact CG-CE1 3.83Å; V471-Y473 HydrophobicContact CG2-CD1 4.33Å; Y473-D478 HydrophobicContact CD2-CB 4.42Å; Y473-D478 HydrophobicContact CE2-CB 4.04Å
474	S	89.9	Confident	91.6	Very high	27 Å²	27	16.9 Å²	16.9	19%	0.189	8%	0.083	C	C	.	.			trans	-81.6	161.3	173.4	76	0	0	0	0	110.4	E476 Q477	S474-E476 WeakPolarHBondContact CB-OE2 3.39Å; S474-E476 PolarHBondContact O-N 3.03Å; S474-E476 VanDerWaalsContact O-N 3.13Å; S474-E476 PolarHBondContact OG-OE2 2.65Å; S474-Q477 WeakPolarHBondContact O-CA 3.16Å; S474-Q477 WeakPolarHBondContact O-CB 3.48Å; S474-Q477 PolarHBondContact O-N 3.38Å
475	I	87.1	Confident	90.1	Very high	12 Å²	12	20 Å²	20	6%	0.062	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-61.6	-26.6	-174.7	-161.9	61.8	0	0	0	113.3	H335 W336 Q477 D478 Y482 N484 L486	H335-I475 WeakPolarHBondContact O-CD1 3.42Å; W336-I475 HydrophobicContact CD2-CD1 4.02Å; W336-I475 HydrophobicContact CE3-CD1 3.7Å; W336-I475 HydrophobicContact CH2-CB 4.24Å; W336-I475 HydrophobicContact CH2-CD1 3.81Å; W336-I475 HydrophobicContact CZ2-CB 4.33Å; W336-I475 HydrophobicContact CZ2-CD1 4.1Å; W336-I475 HydrophobicContact CZ3-CD1 3.59Å; I475-Q477 PolarHBondContact O-N 3.08Å; I475-D478 WeakPolarHBondContact O-CB 3.4Å; I475-D478 PolarHBondContact O-N 3.39Å; I475-Y482 WeakPolarHBondContact CD1-OH 3.37Å; I475-N484 VanDerWaalsContact CD1-ND2 3.25Å; I475-N484 WeakPolarHBondContact CD1-ND2 3.47Å; I475-N484 WeakPolarHBondContact CG1-ND2 3.35Å; I475-L486 HydrophobicContact CG1-CD2 4.46Å; I475-L486 HydrophobicContact CG2-CD2 3.5Å
476	E	87.3	Confident	88.5	Confident	88 Å²	88	22.6 Å²	22.6	41%	0.411	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-75	-11.6	176.1	-51.8	82.4	179.3	0	0	113.5	S474 L486 A510 Y519	S474-E476 WeakPolarHBondContact CB-OE2 3.39Å; S474-E476 PolarHBondContact O-N 3.03Å; S474-E476 VanDerWaalsContact O-N 3.13Å; S474-E476 PolarHBondContact OG-OE2 2.65Å; E476-L486 HydrophobicContact CG-CD1 4.47Å; E476-L486 HydrophobicContact CG-CD2 4.26Å; E476-A510 WeakPolarHBondContact O-CB 3.45Å; E476-Y519 PolarHBondContact O-OH 2.82Å
477	Q	92.4	Very high	86.6	Confident	31 Å²	31	29 Å²	29	15%	0.145	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-102.1	-1.4	178.7	-59.3	-60.5	-58.8	0	0	112.6	S474 I475 G479 Y519 T520	S474-Q477 WeakPolarHBondContact O-CA 3.16Å; S474-Q477 WeakPolarHBondContact O-CB 3.48Å; S474-Q477 PolarHBondContact O-N 3.38Å; I475-Q477 PolarHBondContact O-N 3.08Å; Q477-G479 PolarHBondContact O-N 3.28Å; Q477-Y519 PolarHBondContact NE2-OH 3.09Å; Q477-T520 PolarHBondContact OE1-O 3.02Å
478	D	92.5	Very high	84.8	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.011	15%	0.151	C	C	.	.			trans	-64.8	123.4	176.7	-164.5	-31.7	0	0	0	109.8	Q467 Y473 I475 T480 Y482 A510 A511	Q467-D478 PolarHBondContact OE1-OD1 2.71Å; Y473-D478 HydrophobicContact CD2-CB 4.42Å; Y473-D478 HydrophobicContact CE2-CB 4.04Å; I475-D478 WeakPolarHBondContact O-CB 3.4Å; I475-D478 PolarHBondContact O-N 3.39Å; D478-T480 WeakPolarHBondContact OD1-CB 3.15Å; D478-T480 PolarHBondContact OD1-N 2.79Å; D478-T480 PolarHBondContact OD1-OG1 3.26Å; D478-Y482 VanDerWaalsContact OD2-CE1 3.3Å; D478-Y482 WeakPolarHBondContact OD2-CE1 3.26Å; D478-Y482 PolarHBondContact OD2-OH 2.77Å; D478-A510 CarbonylContact O-C 3.54Å; D478-A510 WeakPolarHBondContact O-CB 3.25Å; D478-A511 PolarHBondContact O-N 3.2Å
479	G	93.9	Very high	83.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.			trans	-81.6	-2.8	180	0	0	0	0	0	113.4	T465 Q477	T465-G479 VanDerWaalsContact CB-O 3.22Å; T465-G479 WeakPolarHBondContact CB-O 3.36Å; T465-G479 WeakPolarHBondContact CG2-O 3.43Å; T465-G479 PolarHBondContact OG1-O 3.45Å; Q477-G479 PolarHBondContact O-N 3.28Å
480	T	93.4	Very high	81.6	Confident	16 Å²	16	41.2 Å²	41.2	10%	0.098	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-91.3	133.8	-174.9	-45.1	0	0	0	0	111.8	L337 D478 Y482 A511 A546	L337-T480 HydrophobicContact CD1-CG2 3.75Å; D478-T480 WeakPolarHBondContact OD1-CB 3.15Å; D478-T480 PolarHBondContact OD1-N 2.79Å; D478-T480 PolarHBondContact OD1-OG1 3.26Å; T480-Y482 HydrophobicContact CG2-CD1 4.13Å; T480-Y482 VanDerWaalsContact O-CD1 3.29Å; T480-Y482 WeakPolarHBondContact O-CD1 3.37Å; T480-Y482 PolarHBondContact O-N 2.76Å; T480-A511 VanDerWaalsContact O-CB 3.25Å; T480-A511 WeakPolarHBondContact O-CB 3.33Å; T480-A546 WeakPolarHBondContact CA-O 3.33Å; T480-A546 HydrophobicContact CG2-CB 4.23Å
481	L	88.5	Confident	80.5	Confident	65 Å²	65	45.8 Å²	45.8	34%	0.34	23%	0.234	S	C	.	.			trans	-83.4	100.6	178.7	-173.8	69.4	0	0	0	112.2	P507 A511 A546 V547	L481-P507 HydrophobicContact CD1-CB 3.26Å; L481-P507 HydrophobicContact CD1-CG 3.96Å; L481-A511 HydrophobicContact CD1-CB 4.45Å; L481-A546 PolarHBondContact N-O 3.35Å; L481-A546 VanDerWaalsContact N-O 3.1Å; L481-V547 HydrophobicContact CD2-CG1 4.22Å
482	Y	88.5	Confident	79.3	Confident	13 Å²	13	47.8 Å²	47.8	5%	0.051	25%	0.25	C	C	.	.			trans	-146.4	165.7	171.5	64.1	-76.9	0	0	0	112.5	L337 L353 I475 D478 T480 N484	L337-Y482 HydrophobicContact CD1-CD1 3.24Å; L337-Y482 HydrophobicContact CD1-CD2 4.11Å; L337-Y482 HydrophobicContact CD1-CE1 3.49Å; L337-Y482 VanDerWaalsContact CD1-CE1 3.49Å; L337-Y482 HydrophobicContact CD1-CE2 4.31Å; L337-Y482 HydrophobicContact CD1-CG 3.57Å; L337-Y482 HydrophobicContact CD2-CD2 3.92Å; L337-Y482 HydrophobicContact CD2-CE2 4.29Å; L337-Y482 HydrophobicContact CD2-CG 4.03Å; L337-Y482 HydrophobicContact CG-CD1 3.83Å; L337-Y482 HydrophobicContact CG-CD2 3.8Å; L337-Y482 HydrophobicContact CG-CE1 3.81Å; L337-Y482 HydrophobicContact CG-CE2 3.78Å; L337-Y482 HydrophobicContact CG-CG 3.81Å; L353-Y482 HydrophobicContact CD2-CD2 4.43Å; L353-Y482 HydrophobicContact CD2-CE2 4.41Å; I475-Y482 WeakPolarHBondContact CD1-OH 3.37Å; D478-Y482 VanDerWaalsContact OD2-CE1 3.3Å; D478-Y482 WeakPolarHBondContact OD2-CE1 3.26Å; D478-Y482 PolarHBondContact OD2-OH 2.77Å; T480-Y482 HydrophobicContact CG2-CD1 4.13Å; T480-Y482 VanDerWaalsContact O-CD1 3.29Å; T480-Y482 WeakPolarHBondContact O-CD1 3.37Å; T480-Y482 PolarHBondContact O-N 2.76Å; Y482-N484 HydrophobicContact CD2-CB 4.26Å; Y482-N484 HydrophobicContact CE2-CB 3.96Å; Y482-N484 WeakPolarHBondContact CE2-ND2 3.42Å; Y482-N484 PolarHBondContact O-N 3.04Å; Y482-N484 PolarHBondContact OH-ND2 2.9Å
483	Y	81.4	Confident	78.2	Confident	63 Å²	63	51.6 Å²	51.6	25%	0.247	27%	0.266	C	S	.	.			trans	-70.5	113.4	176.4	-175.5	-91.3	0	0	0	109.8	I43 N45 E485 V505	I43-Y483 WeakPolarHBondContact O-CB 3.43Å; I43-Y483 PolarHBondContact O-N 3.12Å; N45-Y483 HydrophobicContact CB-CD1 4.14Å; N45-Y483 HydrophobicContact CB-CD2 3.2Å; N45-Y483 HydrophobicContact CB-CE1 4.48Å; N45-Y483 HydrophobicContact CB-CE2 3.56Å; N45-Y483 HydrophobicContact CB-CG 3.51Å; N45-Y483 WeakPolarHBondContact ND2-CE2 3.46Å; Y483-E485 HydrophobicContact CE1-CG 3.91Å; Y483-V505 HydrophobicContact CD2-CG1 3.77Å; Y483-V505 HydrophobicContact CE2-CB 4.42Å; Y483-V505 HydrophobicContact CE2-CG1 3.16Å; Y483-V505 HydrophobicContact CE2-CG2 4.45Å
484	N	72.4	Confident	77.4	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.043	29%	0.29	C	S	.	.			trans	-132.6	134.2	177.2	-155.7	-27.4	0	0	0	110.9	H335 I475 Y482	H335-N484 PolarHBondContact O-ND2 2.87Å; H335-N484 VanDerWaalsContact O-ND2 3.12Å; I475-N484 VanDerWaalsContact CD1-ND2 3.25Å; I475-N484 WeakPolarHBondContact CD1-ND2 3.47Å; I475-N484 WeakPolarHBondContact CG1-ND2 3.35Å; Y482-N484 HydrophobicContact CD2-CB 4.26Å; Y482-N484 HydrophobicContact CE2-CB 3.96Å; Y482-N484 WeakPolarHBondContact CE2-ND2 3.42Å; Y482-N484 PolarHBondContact O-N 3.04Å; Y482-N484 PolarHBondContact OH-ND2 2.9Å
485	E	65.1	Low	76.9	Confident	65 Å²	65	59.8 Å²	59.8	30%	0.304	30%	0.302	S	S	.	.			trans	-98.1	101.8	171.6	-66.9	-163.7	145.7	0	0	109.7	Y483 E487 R503	Y483-E485 HydrophobicContact CE1-CG 3.91Å; E485-E487 PolarHBondContact O-N 2.84Å; E485-R503 IonicContact OE1-NH1 2.63Å; E485-R503 IonicContact OE2-CZ 3.46Å; E485-R503 IonicContact OE2-NH1 3.96Å; E485-R503 PolarHBondContact OE2-NH1 2.94Å; E485-R503 IonicContact OE2-NH2 2.81Å
486	L	63.3	Low	76.7	Confident	55 Å²	55	61.1 Å²	61.1	29%	0.288	31%	0.306	S	S	.	.			trans	-60.5	139.3	175.8	-63.7	175.6	0	0	0	110.9	I475 E476 E488 R503	I475-L486 HydrophobicContact CG1-CD2 4.46Å; I475-L486 HydrophobicContact CG2-CD2 3.5Å; E476-L486 HydrophobicContact CG-CD1 4.47Å; E476-L486 HydrophobicContact CG-CD2 4.26Å; L486-E488 PolarHBondContact O-N 2.72Å; L486-R503 PolarHBondContact O-NH2 3.32Å
487	E	59	Low	76.4	Confident	133 Å²	133	61.8 Å²	61.8	62%	0.621	31%	0.31	S	S	*	.			trans	-72.4	112.4	178.3	-158.3	-172.6	-156.2	0	0	109.1	K358 E485	K358-E487 IonicContact NZ-OE2 2.81Å; K358-E487 PolarHBondContact NZ-OE2 2.84Å; E485-E487 PolarHBondContact O-N 2.84Å
488	E	59.8	Low	76.1	Confident	48 Å²	48	66.8 Å²	66.8	22%	0.224	34%	0.337	C	S	.	.			trans	-76.6	135.1	177	-73.5	175	-162.9	0	0	110.4	L486 A492 K493 R496	L486-E488 PolarHBondContact O-N 2.72Å; E488-A492 HydrophobicContact CB-CB 4.33Å; E488-K493 HydrophobicContact CB-CB 4.1Å; E488-K493 WeakPolarHBondContact OE2-CA 3.48Å; E488-R496 WeakPolarHBondContact OE1-CD 3.26Å; E488-R496 IonicContact OE1-CZ 3.23Å; E488-R496 IonicContact OE1-NE 3.51Å; E488-R496 IonicContact OE1-NH1 2.85Å; E488-R496 PolarHBondContact OE1-NH1 2.83Å; E488-R496 IonicContact OE2-CZ 3.9Å; E488-R496 VanDerWaalsContact OE2-CZ 3.23Å; E488-R496 IonicContact OE2-NE 2.86Å; E488-R496 IonicContact OE2-NH1 3.76Å; E488-R496 PolarHBondContact OE2-NH1 3Å
489	S	60.6	Low	75.7	Confident	73 Å²	73	72.5 Å²	72.5	51%	0.51	36%	0.362	S	S	.	.			trans	-55	148.5	169.3	73.9	0	0	0	0	110.5	T491 A492 K493	S489-T491 PolarHBondContact O-N 2.93Å; S489-A492 WeakPolarHBondContact O-CA 3.35Å; S489-A492 PolarHBondContact O-N 2.88Å; S489-A492 VanDerWaalsContact OG-CB 3.31Å; S489-A492 WeakPolarHBondContact OG-CB 3.44Å; S489-A492 PolarHBondContact OG-N 2.81Å; S489-A492 VanDerWaalsContact OG-N 3.15Å; S489-K493 WeakPolarHBondContact O-CB 3.38Å; S489-K493 PolarHBondContact O-N 2.85Å
490	H	65.8	Low	74.9	Confident	140 Å²	140	83.6 Å²	83.6	65%	0.648	40%	0.403	S	S	*	.	H	α-helix	trans	-49.8	-38.8	178.8	172.7	-90.7	0	0	0	112.5	K494	H490-K494 VanDerWaalsContact O-CB 3.24Å; H490-K494 WeakPolarHBondContact O-CB 3.49Å; H490-K494 PolarHBondContact O-N 3.01Å
491	T	69.8	Low	73.3	Confident	96 Å²	96	87.5 Å²	87.5	59%	0.589	42%	0.421	S	S	*	.	H	α-helix	trans	-67.3	-44.3	176.8	-44.7	0	0	0	0	112.2	S489 L495	S489-T491 PolarHBondContact O-N 2.93Å; T491-L495 HydrophobicContact CG2-CD1 4.43Å; T491-L495 WeakPolarHBondContact O-CB 3.35Å; T491-L495 PolarHBondContact O-N 3.33Å
492	A	68.3	Low	71.4	Confident	43 Å²	43	89.8 Å²	89.8	36%	0.355	44%	0.439	S	S	.	.	H	α-helix	trans	-65.9	-44.8	177.5	0	0	0	0	0	111.7	E488 S489 K494 L495 R496	E488-A492 HydrophobicContact CB-CB 4.33Å; S489-A492 WeakPolarHBondContact O-CA 3.35Å; S489-A492 PolarHBondContact O-N 2.88Å; S489-A492 VanDerWaalsContact OG-CB 3.31Å; S489-A492 WeakPolarHBondContact OG-CB 3.44Å; S489-A492 PolarHBondContact OG-N 2.81Å; S489-A492 VanDerWaalsContact OG-N 3.15Å; A492-K494 PolarHBondContact O-N 2.7Å; A492-L495 PolarHBondContact O-N 3.22Å; A492-R496 WeakPolarHBondContact O-CB 3.26Å; A492-R496 PolarHBondContact O-N 2.98Å
493	K	70.8	Confident	70	Confident	100 Å²	100	93.4 Å²	93.4	44%	0.435	45%	0.453	S	S	.	.	H	α-helix	trans	-56.2	-50.3	174.5	-179.2	176.3	177.7	176.5	0	111.7	E488 S489 L495 R496 E497	E488-K493 HydrophobicContact CB-CB 4.1Å; E488-K493 WeakPolarHBondContact OE2-CA 3.48Å; S489-K493 WeakPolarHBondContact O-CB 3.38Å; S489-K493 PolarHBondContact O-N 2.85Å; K493-L495 PolarHBondContact O-N 2.8Å; K493-R496 PolarHBondContact O-N 3.48Å; K493-E497 WeakPolarHBondContact CE-OE1 3.26Å; K493-E497 WeakPolarHBondContact CG-OE1 3.38Å; K493-E497 WeakPolarHBondContact O-CB 3.33Å; K493-E497 VanDerWaalsContact O-CG 3.29Å; K493-E497 WeakPolarHBondContact O-CG 3.31Å; K493-E497 PolarHBondContact O-N 3.02Å
494	K	76.5	Confident	68.7	Low	117 Å²	117	95.2 Å²	95.2	51%	0.509	47%	0.47	S	S	.	.	H	α-helix	trans	-65.6	-38.2	179.2	-162.1	162.4	-173	169.8	0	111.8	H490 A492 L498	H490-K494 VanDerWaalsContact O-CB 3.24Å; H490-K494 WeakPolarHBondContact O-CB 3.49Å; H490-K494 PolarHBondContact O-N 3.01Å; A492-K494 PolarHBondContact O-N 2.7Å; K494-L498 HydrophobicContact CG-CD1 4.22Å; K494-L498 VanDerWaalsContact O-CB 3.25Å; K494-L498 WeakPolarHBondContact O-CB 3.38Å; K494-L498 VanDerWaalsContact O-CD1 3.3Å; K494-L498 WeakPolarHBondContact O-CD1 3.23Å; K494-L498 WeakPolarHBondContact O-CG 3.28Å; K494-L498 PolarHBondContact O-N 3.29Å
495	L	79.1	Confident	67.8	Low	87 Å²	87	97.9 Å²	97.9	46%	0.455	49%	0.487	S	S	.	.	H	α-helix	trans	-63.1	-45.6	174.6	-121.1	93.8	0	0	0	112	T491 A492 K493 L498 K499	T491-L495 HydrophobicContact CG2-CD1 4.43Å; T491-L495 WeakPolarHBondContact O-CB 3.35Å; T491-L495 PolarHBondContact O-N 3.33Å; A492-L495 PolarHBondContact O-N 3.22Å; K493-L495 PolarHBondContact O-N 2.8Å; L495-L498 PolarHBondContact O-N 3.33Å; L495-K499 WeakPolarHBondContact O-CB 3.23Å; L495-K499 VanDerWaalsContact O-CG 3.26Å; L495-K499 WeakPolarHBondContact O-CG 3.48Å; L495-K499 PolarHBondContact O-N 2.78Å
496	R	82.4	Confident	67.4	Low	40 Å²	40	97.8 Å²	97.8	15%	0.151	49%	0.491	C	S	.	.	H	α-helix	trans	-64.2	-48.4	178.9	-179.9	-151.4	64.5	-162.9	0.6	111.3	E488 A492 K493 L498 K499 R500 E501	E488-R496 WeakPolarHBondContact OE1-CD 3.26Å; E488-R496 IonicContact OE1-CZ 3.23Å; E488-R496 IonicContact OE1-NE 3.51Å; E488-R496 IonicContact OE1-NH1 2.85Å; E488-R496 PolarHBondContact OE1-NH1 2.83Å; E488-R496 IonicContact OE2-CZ 3.9Å; E488-R496 VanDerWaalsContact OE2-CZ 3.23Å; E488-R496 IonicContact OE2-NE 2.86Å; E488-R496 IonicContact OE2-NH1 3.76Å; E488-R496 PolarHBondContact OE2-NH1 3Å; A492-R496 WeakPolarHBondContact O-CB 3.26Å; A492-R496 PolarHBondContact O-N 2.98Å; K493-R496 PolarHBondContact O-N 3.48Å; R496-L498 VanDerWaalsContact C-N 3.29Å; R496-L498 PolarHBondContact O-N 3.08Å; R496-K499 CarbonylContact O-C 3.38Å; R496-K499 PolarHBondContact O-N 2.9Å; R496-K499 VanDerWaalsContact O-N 3.08Å; R496-R500 PolarHBondContact O-N 2.99Å; R496-E501 HydrophobicContact CG-CB 3.74Å; R496-E501 WeakPolarHBondContact CG-O 3.29Å; R496-E501 PolarHBondContact O-N 3Å; R496-E501 VanDerWaalsContact O-N 3.1Å
497	E	81.7	Confident	67.3	Low	103 Å²	103	98 Å²	98	48%	0.481	50%	0.495	S	S	.	.	H	α-helix	trans	-58.4	-41.9	175.7	-74.5	172	-175.7	0	0	111.5	K493 K499 R500	K493-E497 WeakPolarHBondContact CE-OE1 3.26Å; K493-E497 WeakPolarHBondContact CG-OE1 3.38Å; K493-E497 WeakPolarHBondContact O-CB 3.33Å; K493-E497 VanDerWaalsContact O-CG 3.29Å; K493-E497 WeakPolarHBondContact O-CG 3.31Å; K493-E497 PolarHBondContact O-N 3.02Å; E497-K499 VanDerWaalsContact C-N 3.35Å; E497-R500 PolarHBondContact O-N 2.84Å
498	L	85.5	Confident	68	Low	136 Å²	136	92.1 Å²	92.1	71%	0.712	47%	0.469	S	S	*	.	H	α-helix	trans	-63.6	-37.8	173.8	-79.1	164.5	0	0	0	112.6	K494 L495 R496 R500	K494-L498 HydrophobicContact CG-CD1 4.22Å; K494-L498 VanDerWaalsContact O-CB 3.25Å; K494-L498 WeakPolarHBondContact O-CB 3.38Å; K494-L498 VanDerWaalsContact O-CD1 3.3Å; K494-L498 WeakPolarHBondContact O-CD1 3.23Å; K494-L498 WeakPolarHBondContact O-CG 3.28Å; K494-L498 PolarHBondContact O-N 3.29Å; L495-L498 PolarHBondContact O-N 3.33Å; R496-L498 VanDerWaalsContact C-N 3.29Å; R496-L498 PolarHBondContact O-N 3.08Å; L498-R500 VanDerWaalsContact C-N 3.31Å
499	K	83.3	Confident	68.7	Low	122 Å²	122	94.3 Å²	94.3	53%	0.53	49%	0.487	S	S	.	.	H	α-helix	trans	-82.7	-4.1	178.4	-69.9	-178.5	-178.1	-177.9	0	114.1	L495 R496 E497 E501	L495-K499 WeakPolarHBondContact O-CB 3.23Å; L495-K499 VanDerWaalsContact O-CG 3.26Å; L495-K499 WeakPolarHBondContact O-CG 3.48Å; L495-K499 PolarHBondContact O-N 2.78Å; R496-K499 CarbonylContact O-C 3.38Å; R496-K499 PolarHBondContact O-N 2.9Å; R496-K499 VanDerWaalsContact O-N 3.08Å; E497-K499 VanDerWaalsContact C-N 3.35Å; K499-E501 HydrophobicContact CB-CB 4.45Å; K499-E501 HydrophobicContact CB-CG 3.78Å; K499-E501 VanDerWaalsContact CD-OE1 3.22Å; K499-E501 WeakPolarHBondContact CD-OE1 3.43Å; K499-E501 IonicContact NZ-OE1 3.93Å; K499-E501 PolarHBondContact O-N 2.98Å
500	R	76.9	Confident	70	Confident	233 Å²	233	90.8 Å²	90.8	88%	0.879	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	31.5	-171.7	-58.1	-178.9	176.2	-179.8	-1.9	112.7	R496 E497 L498	R496-R500 PolarHBondContact O-N 2.99Å; E497-R500 PolarHBondContact O-N 2.84Å; L498-R500 VanDerWaalsContact C-N 3.31Å
501	E	60.3	Low	71	Confident	98 Å²	98	84.1 Å²	84.1	46%	0.458	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-77.1	137.2	176.2	-75.1	168.1	175.4	0	0	108.6	R496 K499	R496-E501 HydrophobicContact CG-CB 3.74Å; R496-E501 WeakPolarHBondContact CG-O 3.29Å; R496-E501 PolarHBondContact O-N 3Å; R496-E501 VanDerWaalsContact O-N 3.1Å; K499-E501 HydrophobicContact CB-CB 4.45Å; K499-E501 HydrophobicContact CB-CG 3.78Å; K499-E501 VanDerWaalsContact CD-OE1 3.22Å; K499-E501 WeakPolarHBondContact CD-OE1 3.43Å; K499-E501 IonicContact NZ-OE1 3.93Å; K499-E501 PolarHBondContact O-N 2.98Å
502	P	50	Low	72	Confident	112 Å²	112	82 Å²	82	73%	0.727	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-62.1	149.9	170.6	26.5	-31.9	0	0	0	109.6	V504	P502-V504 PolarHBondContact O-N 3.35Å
503	R	58.3	Low	73.3	Confident	89 Å²	89	80 Å²	80	34%	0.336	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-57.4	131.8	173.1	-169.9	168.6	-168.4	-174.3	-8.4	108.5	E485 L486 V505	E485-R503 IonicContact OE1-NH1 2.63Å; E485-R503 IonicContact OE2-CZ 3.46Å; E485-R503 IonicContact OE2-NH1 3.96Å; E485-R503 PolarHBondContact OE2-NH1 2.94Å; E485-R503 IonicContact OE2-NH2 2.81Å; L486-R503 PolarHBondContact O-NH2 3.32Å; R503-V505 PolarHBondContact O-N 3.06Å
504	V	54	Low	74.5	Confident	102 Å²	102	83.1 Å²	83.1	62%	0.618	41%	0.409	S	S	*	.			trans	-72.2	106.2	178.3	-179.7	0	0	0	0	107.5	P502 T506	P502-V504 PolarHBondContact O-N 3.35Å; V504-T506 HydrophobicContact CG1-CG2 3.9Å
505	V	53	Low	75.5	Confident	64 Å²	64	80.4 Å²	80.4	39%	0.388	40%	0.403	S	S	.	.			trans	-100.7	115.7	171.2	175.2	0	0	0	0	105.9	Y483 R503	Y483-V505 HydrophobicContact CD2-CG1 3.77Å; Y483-V505 HydrophobicContact CE2-CB 4.42Å; Y483-V505 HydrophobicContact CE2-CG1 3.16Å; Y483-V505 HydrophobicContact CE2-CG2 4.45Å; R503-V505 PolarHBondContact O-N 3.06Å
506	T	57.3	Low	76.3	Confident	63 Å²	63	79.2 Å²	79.2	39%	0.387	41%	0.411	S	S	.	.			trans	-143.1	149.9	177.8	42.3	0	0	0	0	109.1	V504 P508	V504-T506 HydrophobicContact CG1-CG2 3.9Å; T506-P508 WeakPolarHBondContact O-CD 3.45Å
507	P	60.4	Low	77	Confident	59 Å²	59	80.2 Å²	80.2	38%	0.383	42%	0.422	S	S	.	.			trans	-63.8	130.2	148	30.5	-31.6	0	0	0	108.3	L481	L481-P507 HydrophobicContact CD1-CB 3.26Å; L481-P507 HydrophobicContact CD1-CG 3.96Å
508	P	74.4	Confident	77.7	Confident	10 Å²	10	79 Å²	79	7%	0.065	42%	0.422	C	S	.	.			trans	-56.4	154.4	175.1	-24.9	34.4	0	0	0	111.8	T506 A510 A511	T506-P508 WeakPolarHBondContact O-CD 3.45Å; P508-A510 PolarHBondContact O-N 2.79Å; P508-A510 VanDerWaalsContact O-N 3.13Å; P508-A511 PolarHBondContact O-N 2.74Å
509	P	75.3	Confident	78.2	Confident	93 Å²	93	74.5 Å²	74.5	60%	0.604	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-56.8	-28.7	176.1	-25.2	34.1	0	0	0	114	A511 L512 Y519	P509-A511 VanDerWaalsContact C-N 3.31Å; P509-A511 PolarHBondContact O-N 2.74Å; P509-L512 CarbonylContact O-C 3.44Å; P509-L512 PolarHBondContact O-N 2.98Å; P509-Y519 HydrophobicContact CB-CD2 4.06Å; P509-Y519 HydrophobicContact CB-CE2 3.83Å
510	A	86.9	Confident	78.9	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-62.2	-35.8	173.8	0	0	0	0	0	112.9	T465 E476 D478 P508 L512 Y519 Y521	T465-A510 WeakPolarHBondContact CG2-O 3.3Å; E476-A510 WeakPolarHBondContact O-CB 3.45Å; D478-A510 CarbonylContact O-C 3.54Å; D478-A510 WeakPolarHBondContact O-CB 3.25Å; P508-A510 PolarHBondContact O-N 2.79Å; P508-A510 VanDerWaalsContact O-N 3.13Å; A510-L512 VanDerWaalsContact C-N 3.31Å; A510-L512 PolarHBondContact O-N 2.8Å; A510-Y519 HydrophobicContact CB-CD1 4.3Å; A510-Y519 HydrophobicContact CB-CE1 3.55Å; A510-Y519 HydrophobicContact CB-CE2 4.39Å; A510-Y521 HydrophobicContact CB-CD1 4.47Å; A510-Y521 HydrophobicContact CB-CE1 3.93Å; A510-Y521 PolarHBondContact O-OH 2.86Å
511	A	88	Confident	79.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-84.7	-1	-177.8	0	0	0	0	0	113.5	T465 D478 T480 L481 P508 P509	T465-A511 WeakPolarHBondContact CG2-O 3.39Å; D478-A511 PolarHBondContact O-N 3.2Å; T480-A511 VanDerWaalsContact O-CB 3.25Å; T480-A511 WeakPolarHBondContact O-CB 3.33Å; L481-A511 HydrophobicContact CD1-CB 4.45Å; P508-A511 PolarHBondContact O-N 2.74Å; P509-A511 VanDerWaalsContact C-N 3.31Å; P509-A511 PolarHBondContact O-N 2.74Å
512	L	90.2	Very high	81.6	Confident	50 Å²	50	59.7 Å²	59.7	26%	0.262	34%	0.342	S	S	.	.			trans	-155.2	72.2	-178.7	-164.9	72.2	0	0	0	112.8	P463 P509 A510 R514 V547	P463-L512 HydrophobicContact CB-CD1 3.79Å; P463-L512 HydrophobicContact CB-CG 4.38Å; P463-L512 HydrophobicContact CG-CD1 4.11Å; P509-L512 CarbonylContact O-C 3.44Å; P509-L512 PolarHBondContact O-N 2.98Å; A510-L512 VanDerWaalsContact C-N 3.31Å; A510-L512 PolarHBondContact O-N 2.8Å; L512-R514 PolarHBondContact O-N 2.81Å; L512-V547 HydrophobicContact CD1-CG1 4.13Å
513	V	95.5	Very high	83.7	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.012	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-80.7	105.1	177.1	-169.2	0	0	0	0	110	F456 N458 P463 Y464 T517 Y519 Y521	F456-V513 HydrophobicContact CD1-CB 4.05Å; F456-V513 HydrophobicContact CD1-CG1 3.94Å; F456-V513 HydrophobicContact CD1-CG2 4.04Å; F456-V513 HydrophobicContact CE1-CB 3.95Å; F456-V513 HydrophobicContact CE1-CG1 4.06Å; F456-V513 HydrophobicContact CE1-CG2 4.31Å; N458-V513 HydrophobicContact CB-CG1 4.17Å; N458-V513 PolarHBondContact ND2-O 2.69Å; P463-V513 WeakPolarHBondContact CA-O 3.31Å; Y464-V513 PolarHBondContact N-O 3.16Å; Y464-V513 VanDerWaalsContact O-CB 3.24Å; Y464-V513 WeakPolarHBondContact O-CB 3.46Å; V513-T517 WeakPolarHBondContact CG1-OG1 3.25Å; V513-Y519 HydrophobicContact CG2-CG 4.17Å; V513-Y521 WeakPolarHBondContact CG2-OH 3.41Å
514	R	95.7	Very high	85.4	Confident	165 Å²	165	50.8 Å²	50.8	62%	0.623	30%	0.296	S	S	*	.			trans	-68.4	155.1	-175.6	-65.3	-178	-177.6	178.2	0.1	112.7	L512 G516 T517	L512-R514 PolarHBondContact O-N 2.81Å; R514-G516 PolarHBondContact O-N 2.8Å; R514-T517 HydrophobicContact CB-CG2 4.03Å; R514-T517 PolarHBondContact N-OG1 2.81Å; R514-T517 WeakPolarHBondContact O-CB 3.36Å; R514-T517 PolarHBondContact O-N 3.05Å; R514-T517 PolarHBondContact O-OG1 3.16Å
515	P	97.6	Very high	87.3	Confident	61 Å²	61	46 Å²	46	40%	0.396	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	133.6	171.8	-31.1	37.9	0	0	0	113	A460 T517	A460-P515 WeakPolarHBondContact O-CB 3.29Å; P515-T517 PolarHBondContact O-N 3.06Å
516	G	96.1	Very high	89	Confident	61 Å²	61	43.7 Å²	43.7	63%	0.629	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	-5.1	179.9	0	0	0	0	0	115.5	N458 R514	N458-G516 WeakPolarHBondContact O-CA 3.35Å; N458-G516 PolarHBondContact O-N 2.98Å; R514-G516 PolarHBondContact O-N 2.8Å
517	T	96.3	Very high	90.3	Very high	62 Å²	62	45.4 Å²	45.4	38%	0.38	26%	0.263	S	S	.	.			trans	-95.7	164.6	-179.1	71.5	0	0	0	0	112.6	N458 V513 R514 P515	N458-T517 PolarHBondContact N-O 2.86Å; V513-T517 WeakPolarHBondContact CG1-OG1 3.25Å; R514-T517 HydrophobicContact CB-CG2 4.03Å; R514-T517 PolarHBondContact N-OG1 2.81Å; R514-T517 WeakPolarHBondContact O-CB 3.36Å; R514-T517 PolarHBondContact O-N 3.05Å; R514-T517 PolarHBondContact O-OG1 3.16Å; P515-T517 PolarHBondContact O-N 3.06Å
518	V	96.4	Very high	91.3	Very high	78 Å²	78	44 Å²	44	47%	0.473	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.3	178.1	179.5	0	0	0	0	108.7	I455 F456 K457	I455-V518 HydrophobicContact CG2-CG1 3.67Å; F456-V518 CarbonylContact O-C 3.49Å; F456-V518 VanDerWaalsContact O-CA 3.24Å; F456-V518 WeakPolarHBondContact O-CA 3.38Å; F456-V518 WeakPolarHBondContact O-CG1 3.25Å; K457-V518 HydrophobicContact CB-CG2 3.93Å; K457-V518 HydrophobicContact CD-CG2 4.17Å; K457-V518 HydrophobicContact CG-CG2 3.82Å
519	Y	96.6	Very high	91.9	Very high	41 Å²	41	43.6 Å²	43.6	16%	0.161	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.5	169.9	-170.7	-97.9	0	0	0	109.8	F456 E476 Q477 P509 A510 V513 Y521	F456-Y519 PolarHBondContact N-O 2.8Å; F456-Y519 PolarHBondContact O-N 3.05Å; E476-Y519 PolarHBondContact O-OH 2.82Å; Q477-Y519 PolarHBondContact NE2-OH 3.09Å; P509-Y519 HydrophobicContact CB-CD2 4.06Å; P509-Y519 HydrophobicContact CB-CE2 3.83Å; A510-Y519 HydrophobicContact CB-CD1 4.3Å; A510-Y519 HydrophobicContact CB-CE1 3.55Å; A510-Y519 HydrophobicContact CB-CE2 4.39Å; V513-Y519 HydrophobicContact CG2-CG 4.17Å; Y519-Y521 AromaticContact CD1-CD1 3.86Å; Y519-Y521 HydrophobicContact CD1-CD1 3.86Å; Y519-Y521 AromaticContact CD1-CD2 3.93Å; Y519-Y521 HydrophobicContact CD1-CD2 3.93Å; Y519-Y521 AromaticContact CD1-CE1 3.72Å; Y519-Y521 HydrophobicContact CD1-CE1 3.72Å; Y519-Y521 AromaticContact CD1-CE2 3.79Å; Y519-Y521 HydrophobicContact CD1-CE2 3.79Å; Y519-Y521 AromaticContact CD1-CG 3.96Å; Y519-Y521 HydrophobicContact CD1-CG 3.96Å; Y519-Y521 AromaticContact CD1-CZ 3.68Å; Y519-Y521 AromaticContact CE1-CD1 3.71Å; Y519-Y521 HydrophobicContact CE1-CD1 3.71Å; Y519-Y521 AromaticContact CE1-CE1 3.81Å; Y519-Y521 HydrophobicContact CE1-CE1 3.81Å; Y519-Y521 HydrophobicContact CE1-CG 4.08Å
520	T	97.4	Very high	92.5	Very high	56 Å²	56	39.2 Å²	39.2	34%	0.344	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114	178.1	-59.8	0	0	0	0	108.9	K453 V454 I455 Q477	K453-T520 HydrophobicContact CD-CG2 4.26Å; K453-T520 HydrophobicContact CG-CG2 3.82Å; V454-T520 WeakPolarHBondContact O-CA 3.25Å; I455-T520 HydrophobicContact CG1-CG2 4.23Å; Q477-T520 PolarHBondContact OE1-O 3.02Å
521	Y	97.6	Very high	92.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	141.5	174.4	-60.7	-85.9	0	0	0	110.6	K453 V454 F456 T465 I466 A510 V513 Y519 W523	K453-Y521 CarbonylContact C-O 3.55Å; K453-Y521 VanDerWaalsContact CA-O 3.32Å; K453-Y521 WeakPolarHBondContact CA-O 3.31Å; V454-Y521 PolarHBondContact N-O 2.9Å; V454-Y521 PolarHBondContact O-N 2.04Å; F456-Y521 HydrophobicContact CB-CD2 4.11Å; F456-Y521 HydrophobicContact CB-CE2 3.75Å; F456-Y521 HydrophobicContact CD1-CE2 4.18Å; F456-Y521 HydrophobicContact CG-CE2 4.25Å; T465-Y521 WeakPolarHBondContact CA-OH 3.4Å; T465-Y521 WeakPolarHBondContact CB-OH 3.38Å; I466-Y521 HydrophobicContact CB-CD2 4.21Å; I466-Y521 HydrophobicContact CB-CE2 3.85Å; I466-Y521 HydrophobicContact CD1-CE2 4.49Å; I466-Y521 HydrophobicContact CG1-CE2 4.15Å; I466-Y521 PolarHBondContact N-OH 3.19Å; I466-Y521 WeakPolarHBondContact O-CE1 3.46Å; A510-Y521 HydrophobicContact CB-CD1 4.47Å; A510-Y521 HydrophobicContact CB-CE1 3.93Å; A510-Y521 PolarHBondContact O-OH 2.86Å; V513-Y521 WeakPolarHBondContact CG2-OH 3.41Å; Y519-Y521 AromaticContact CD1-CD1 3.86Å; Y519-Y521 HydrophobicContact CD1-CD1 3.86Å; Y519-Y521 AromaticContact CD1-CD2 3.93Å; Y519-Y521 HydrophobicContact CD1-CD2 3.93Å; Y519-Y521 AromaticContact CD1-CE1 3.72Å; Y519-Y521 HydrophobicContact CD1-CE1 3.72Å; Y519-Y521 AromaticContact CD1-CE2 3.79Å; Y519-Y521 HydrophobicContact CD1-CE2 3.79Å; Y519-Y521 AromaticContact CD1-CG 3.96Å; Y519-Y521 HydrophobicContact CD1-CG 3.96Å; Y519-Y521 AromaticContact CD1-CZ 3.68Å; Y519-Y521 AromaticContact CE1-CD1 3.71Å; Y519-Y521 HydrophobicContact CE1-CD1 3.71Å; Y519-Y521 AromaticContact CE1-CE1 3.81Å; Y519-Y521 HydrophobicContact CE1-CE1 3.81Å; Y519-Y521 HydrophobicContact CE1-CG 4.08Å; Y521-W523 HydrophobicContact CD1-CZ2 4.46Å; Y521-W523 HydrophobicContact CG-CZ2 4.08Å
522	E	95.8	Very high	92.9	Very high	85 Å²	85	40.7 Å²	40.7	40%	0.397	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	118.7	173.4	-170.1	177.1	127.1	0	0	110.3	T451 I452	T451-E522 HydrophobicContact CG2-CG 3.63Å; I452-E522 WeakPolarHBondContact O-CA 3.41Å
523	W	95.6	Very high	92.7	Very high	1 Å²	1	44 Å²	44	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148.7	179.9	-43.2	-42.9	0	0	0	110.3	L444 T451 I452 V454 I466 P468 V471 Q472 Y521 L561	L444-W523 HydrophobicContact CD1-CH2 4.19Å; L444-W523 HydrophobicContact CD1-CZ3 3.73Å; T451-W523 CarbonylContact C-O 3.56Å; T451-W523 WeakPolarHBondContact CA-O 3.23Å; T451-W523 WeakPolarHBondContact CG2-O 3.43Å; I452-W523 HydrophobicContact CB-CB 4.43Å; I452-W523 HydrophobicContact CB-CE3 3.93Å; I452-W523 HydrophobicContact CD1-CE3 4.3Å; I452-W523 HydrophobicContact CG2-CE3 3.65Å; I452-W523 HydrophobicContact CG2-CZ3 3.94Å; I452-W523 PolarHBondContact N-O 2.8Å; I452-W523 PolarHBondContact O-N 3.31Å; V454-W523 HydrophobicContact CB-CH2 4.37Å; V454-W523 HydrophobicContact CG2-CE3 4.32Å; V454-W523 HydrophobicContact CG2-CH2 3.63Å; V454-W523 HydrophobicContact CG2-CZ2 4.35Å; V454-W523 HydrophobicContact CG2-CZ3 3.63Å; I466-W523 HydrophobicContact CB-CZ2 4.4Å; I466-W523 HydrophobicContact CG2-CH2 3.53Å; I466-W523 HydrophobicContact CG2-CZ2 3.78Å; P468-W523 HydrophobicContact CB-CD2 4.07Å; P468-W523 HydrophobicContact CB-CE3 3.96Å; P468-W523 HydrophobicContact CB-CH2 3.98Å; P468-W523 HydrophobicContact CB-CZ2 4.08Å; P468-W523 HydrophobicContact CB-CZ3 3.91Å; P468-W523 HydrophobicContact CG-CD2 3.68Å; P468-W523 HydrophobicContact CG-CE3 4.11Å; P468-W523 HydrophobicContact CG-CG 4.07Å; P468-W523 HydrophobicContact CG-CH2 4.28Å; P468-W523 HydrophobicContact CG-CZ2 3.86Å; P468-W523 HydrophobicContact CG-CZ3 4.38Å; V471-W523 HydrophobicContact CB-CB 4.14Å; V471-W523 HydrophobicContact CG2-CB 3.72Å; V471-W523 HydrophobicContact CG2-CD2 4.22Å; V471-W523 HydrophobicContact CG2-CE3 4.29Å; V471-W523 HydrophobicContact CG2-CG 3.99Å; Q472-W523 WeakPolarHBondContact O-CA 3.47Å; Y521-W523 HydrophobicContact CD1-CZ2 4.46Å; Y521-W523 HydrophobicContact CG-CZ2 4.08Å; W523-L561 HydrophobicContact CE3-CD1 4.39Å; W523-L561 HydrophobicContact CZ3-CD1 4.17Å
524	T	93.4	Very high	92.1	Very high	14 Å²	14	46.4 Å²	46.4	9%	0.086	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.2	179.8	55.6	0	0	0	0	110.4	T451 Q472 P526	T451-T524 HydrophobicContact CG2-CG2 4.48Å; Q472-T524 PolarHBondContact N-O 2.78Å; Q472-T524 PolarHBondContact O-N 2.93Å; Q472-T524 PolarHBondContact O-OG1 3.22Å; T524-P526 VanDerWaalsContact O-CD 3.3Å; T524-P526 WeakPolarHBondContact O-CD 3.22Å
525	V	93.7	Very high	91.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	26%	0.263	C	S	.	.			trans	-89.5	108.1	169.6	-173.7	0	0	0	0	108	A446 K449 D450 V471 A529 V563	A446-V525 HydrophobicContact CB-CG2 3.66Å; K449-V525 VanDerWaalsContact CA-O 3.25Å; K449-V525 WeakPolarHBondContact CA-O 3.23Å; K449-V525 PolarHBondContact N-O 3.49Å; D450-V525 PolarHBondContact O-N 2.72Å; V471-V525 HydrophobicContact CG1-CG2 4.16Å; V525-A529 HydrophobicContact CG1-CB 3.96Å; V525-V563 HydrophobicContact CG1-CG1 3.47Å; V525-V563 VanDerWaalsContact CG1-CG1 3.47Å
526	P	88.8	Confident	91.5	Very high	16 Å²	16	37.6 Å²	37.6	10%	0.104	25%	0.249	C	C	.	.			trans	-64.9	163.8	-178.6	24.8	-31.3	0	0	0	112.4	I305 Q472 T524 G528 A529	I305-P526 HydrophobicContact CG1-CG 4Å; Q472-P526 HydrophobicContact CG-CG 3.88Å; T524-P526 VanDerWaalsContact O-CD 3.3Å; T524-P526 WeakPolarHBondContact O-CD 3.22Å; P526-G528 PolarHBondContact O-N 3.31Å; P526-A529 HydrophobicContact CG-CB 3.56Å; P526-A529 PolarHBondContact O-N 3.15Å
527	V	85.2	Confident	91.5	Very high	100 Å²	100	35.7 Å²	35.7	61%	0.606	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	128.2	170.5	-179.8	0	0	0	0	108.5	K449	K449-V527 HydrophobicContact CD-CG2 4.38Å; K449-V527 HydrophobicContact CG-CG2 3.88Å
528	G	80.3	Confident	91.5	Very high	30 Å²	30	32.7 Å²	32.7	31%	0.309	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	32.1	-174.9	0	0	0	0	0	113.2	H312 E448 P526	H312-G528 PolarHBondContact CD2-O 3.24Å; H312-G528 VanDerWaalsContact CD2-O 3.29Å; H312-G528 PolarHBondContact CE1-O 3.46Å; H312-G528 VanDerWaalsContact CG-O 3.26Å; H312-G528 PolarHBondContact ND1-O 3.36Å; H312-G528 PolarHBondContact NE2-O 3.29Å; E448-G528 PolarHBondContact OE2-N 3.24Å; E448-G528 VanDerWaalsContact OE2-N 3.08Å; P526-G528 PolarHBondContact O-N 3.31Å
529	A	86.9	Confident	91.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.187	C	C	.	.			trans	-97.1	-11.1	160.4	0	0	0	0	0	112.6	I305 V525 P526	I305-A529 HydrophobicContact CG2-CB 4.48Å; V525-A529 HydrophobicContact CG1-CB 3.96Å; P526-A529 HydrophobicContact CG-CB 3.56Å; P526-A529 PolarHBondContact O-N 3.15Å
530	G	88.8	Confident	91.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.01	18%	0.183	C	C	.	.	S	Bend	trans	-86.2	174.9	-179.6	0	0	0	0	0	112.8	H312 E448	H312-G530 PolarHBondContact CD2-O 2.98Å; E448-G530 WeakPolarHBondContact OE1-CA 3.19Å; E448-G530 PolarHBondContact OE1-N 3.34Å
531	P	92.1	Very high	91.4	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.032	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-61.7	143.1	-172.1	-2.2	4.2	0	0	0	113.5	E535 P536 D537 L539 R565	P531-E535 VanDerWaalsContact CA-OE2 3.27Å; P531-E535 WeakPolarHBondContact CA-OE2 3.49Å; P531-E535 HydrophobicContact CB-CB 3.74Å; P531-E535 WeakPolarHBondContact CB-OE2 3.06Å; P531-P536 WeakPolarHBondContact CB-O 3.18Å; P531-P536 WeakPolarHBondContact CG-O 3.5Å; P531-D537 WeakPolarHBondContact CG-O 3.3Å; P531-L539 HydrophobicContact CB-CD2 3.89Å; P531-L539 HydrophobicContact CB-CG 3.98Å; P531-L539 HydrophobicContact CG-CD2 4.25Å; P531-L539 HydrophobicContact CG-CG 3.91Å; P531-R565 VanDerWaalsContact C-NH2 3.33Å; P531-R565 PolarHBondContact O-NE 2.87Å; P531-R565 PolarHBondContact O-NH2 3.24Å
532	V	90.2	Very high	91.4	Very high	26 Å²	26	26.4 Å²	26.4	16%	0.158	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-83.7	166.2	177.7	-60.4	0	0	0	0	111.9	N310 G534 E535 R565	N310-V532 WeakPolarHBondContact O-CG1 3.41Å; V532-G534 PolarHBondContact O-N 3.24Å; V532-E535 HydrophobicContact CG2-CG 3.98Å; V532-E535 WeakPolarHBondContact CG2-OE2 3.36Å; V532-E535 PolarHBondContact N-OE2 2.91Å; V532-E535 WeakPolarHBondContact O-CB 3.09Å; V532-E535 PolarHBondContact O-N 2.65Å; V532-E535 VanDerWaalsContact O-N 3.12Å; V532-R565 PolarHBondContact O-NH2 2.83Å
533	P	86.1	Confident	91.5	Very high	121 Å²	121	22.4 Å²	22.4	79%	0.786	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	132.8	178.8	-27.7	36.8	0	0	0	112.8
534	G	82.6	Confident	91.6	Very high	51 Å²	51	22.6 Å²	22.6	53%	0.526	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	-8.4	-177.3	0	0	0	0	0	115	V532	V532-G534 PolarHBondContact O-N 3.24Å
535	E	89.8	Confident	91.8	Very high	28 Å²	28	21.9 Å²	21.9	13%	0.131	15%	0.148	C	C	.	.	S	Bend	trans	-88.4	162.2	170.5	-68.4	-168.1	131.1	0	0	113.3	H311 P531 V532	H311-E535 IonicContact CE1-OE1 3.31Å; H311-E535 PolarHBondContact CE1-OE1 2.96Å; H311-E535 IonicContact CG-OE1 2.88Å; H311-E535 IonicContact ND1-OE1 2.72Å; H311-E535 PolarHBondContact ND1-OE1 3.3Å; H311-E535 IonicContact ND1-OE2 3.57Å; P531-E535 VanDerWaalsContact CA-OE2 3.27Å; P531-E535 WeakPolarHBondContact CA-OE2 3.49Å; P531-E535 HydrophobicContact CB-CB 3.74Å; P531-E535 WeakPolarHBondContact CB-OE2 3.06Å; V532-E535 HydrophobicContact CG2-CG 3.98Å; V532-E535 WeakPolarHBondContact CG2-OE2 3.36Å; V532-E535 PolarHBondContact N-OE2 2.91Å; V532-E535 WeakPolarHBondContact O-CB 3.09Å; V532-E535 PolarHBondContact O-N 2.65Å; V532-E535 VanDerWaalsContact O-N 3.12Å
536	P	92.6	Very high	91.9	Very high	14 Å²	14	22 Å²	22	9%	0.091	15%	0.148	C	C	.	.			trans	-55	167.1	168.6	-23.3	35.8	0	0	0	112.8	P531 C538 T687 T689	P531-P536 WeakPolarHBondContact CB-O 3.18Å; P531-P536 WeakPolarHBondContact CG-O 3.5Å; P536-C538 PolarHBondContact O-N 2.74Å; P536-T687 HydrophobicContact CB-CG2 3.76Å; P536-T687 HydrophobicContact CG-CG2 3.82Å; P536-T689 HydrophobicContact CB-CG2 3.84Å; P536-T689 HydrophobicContact CG-CG2 3.66Å
537	D	94.9	Very high	92.2	Very high	20 Å²	20	22.4 Å²	22.4	11%	0.107	15%	0.151	C	C	.	.	S	Bend	trans	-67.3	-18.3	-177.5	-74.5	-24.2	0	0	0	114.5	P531 C564 R565 N576 Y577	P531-D537 WeakPolarHBondContact CG-O 3.3Å; D537-C564 CarbonylContact O-C 3.49Å; D537-C564 VanDerWaalsContact O-CA 3.31Å; D537-C564 WeakPolarHBondContact O-CA 3.46Å; D537-R565 PolarHBondContact O-N 3.31Å; D537-R565 IonicContact OD1-NH1 3.91Å; D537-N576 VanDerWaalsContact OD2-CB 3.32Å; D537-N576 WeakPolarHBondContact OD2-CB 3.4Å; D537-N576 PolarHBondContact OD2-ND2 2.79Å; D537-Y577 HydrophobicContact CB-CE2 4.03Å
538	C	95.9	Very high	92.6	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	144.4	179.4	-56.6	0	0	0	0	112.4	P536 L562 V563 C564 Q574 T687	P536-C538 PolarHBondContact O-N 2.74Å; C538-L562 HydrophobicContact CB-CB 4.34Å; C538-V563 CarbonylContact C-O 3.48Å; C538-V563 VanDerWaalsContact CA-O 3.3Å; C538-V563 WeakPolarHBondContact CA-O 3.43Å; C538-C564 HydrophobicContact CB-CB 4.08Å; C538-C564 WeakPolarHBondContact CB-SG 3.23Å; C538-C564 WeakPolarHBondContact SG-CB 3.4Å; C538-C564 CovalentContact SG-SG 2.04Å; C538-C564 PolarHBondContact SG-SG 2.75Å; C538-Q574 VanDerWaalsContact SG-CD 3.52Å; C538-Q574 VanDerWaalsContact SG-CG 3.57Å; C538-T687 WeakPolarHBondContact O-CB 3.45Å; C538-T687 WeakPolarHBondContact O-CG2 3.27Å; C538-T687 PolarHBondContact O-OG1 2.68Å
539	L	95.8	Very high	93.3	Very high	15 Å²	15	19.8 Å²	19.8	8%	0.079	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	143.3	168.9	-59.8	-179.9	0	0	0	110	H312 P531 Y541 L562 V563 T687	H312-L539 HydrophobicContact CB-CD1 4.33Å; P531-L539 HydrophobicContact CB-CD2 3.89Å; P531-L539 HydrophobicContact CB-CG 3.98Å; P531-L539 HydrophobicContact CG-CD2 4.25Å; P531-L539 HydrophobicContact CG-CG 3.91Å; L539-Y541 HydrophobicContact CB-CD2 4.4Å; L539-Y541 HydrophobicContact CB-CE2 3.68Å; L539-Y541 HydrophobicContact CD1-CE2 4.4Å; L539-L562 WeakPolarHBondContact O-CA 3.41Å; L539-V563 PolarHBondContact N-O 3.45Å; L539-V563 PolarHBondContact O-N 3.44Å; L539-V563 VanDerWaalsContact O-N 3.09Å; L539-T687 WeakPolarHBondContact CA-OG1 3.26Å
540	S	96.7	Very high	93.8	Very high	10 Å²	10	20.2 Å²	20.2	7%	0.07	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.5	176.3	-72	0	0	0	0	111.6	H648 S685 T687	S540-H648 WeakPolarHBondContact OG-CA 3.44Å; S540-H648 WeakPolarHBondContact OG-CB 3.26Å; S540-H648 VanDerWaalsContact OG-CG 3.24Å; S540-H648 PolarHBondContact OG-ND1 3Å; S540-S685 WeakPolarHBondContact O-CB 3.28Å; S540-T687 PolarHBondContact N-OG1 2.89Å; S540-T687 PolarHBondContact OG-OG1 2.89Å; S540-T687 VanDerWaalsContact OG-OG1 3.14Å
541	Y	96.9	Very high	94.2	Very high	15 Å²	15	24.2 Å²	24.2	6%	0.059	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	176.7	170.2	-63.4	-73.8	0	0	0	109.2	H312 H469 L539 L561 V563	H312-Y541 PolarHBondContact O-OH 2.79Å; H469-Y541 HydrophobicContact CB-CD1 4Å; H469-Y541 HydrophobicContact CB-CG 4.35Å; L539-Y541 HydrophobicContact CB-CD2 4.4Å; L539-Y541 HydrophobicContact CB-CE2 3.68Å; L539-Y541 HydrophobicContact CD1-CE2 4.4Å; Y541-L561 CarbonylContact C-O 3.58Å; Y541-L561 WeakPolarHBondContact CA-O 3.44Å; Y541-L561 HydrophobicContact CD2-CD2 4.22Å; Y541-L561 PolarHBondContact N-O 2.8Å; Y541-L561 PolarHBondContact O-N 3.47Å; Y541-L561 VanDerWaalsContact O-O 3.05Å; Y541-V563 HydrophobicContact CD2-CB 4.24Å; Y541-V563 HydrophobicContact CD2-CG2 3.81Å; Y541-V563 HydrophobicContact CE2-CB 3.99Å; Y541-V563 HydrophobicContact CE2-CG2 3.86Å
542	L	96.9	Very high	94.4	Very high	3 Å²	3	24 Å²	24	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	162.4	176.6	-59.1	166.3	0	0	0	110.5	H469 V558 G559 L652	H469-L542 WeakPolarHBondContact CB-O 3.24Å; H469-L542 PolarHBondContact N-O 2.81Å; L542-V558 HydrophobicContact CD2-CG2 4.13Å; L542-G559 CarbonylContact C-O 3.54Å; L542-G559 WeakPolarHBondContact CA-O 3.21Å; L542-L652 HydrophobicContact CD1-CD2 4.11Å
543	Y	98.2	Very high	94.8	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.3	158.1	65.9	-88.6	0	0	0	109	Y416 G441 P442 L444 I466 Q467 V558 G559 P560 L561	Y416-Y543 HydrophobicContact CD2-CD2 4.14Å; Y416-Y543 AromaticContact CD2-CE2 3.49Å; Y416-Y543 HydrophobicContact CD2-CE2 3.49Å; Y416-Y543 VanDerWaalsContact CD2-CE2 3.49Å; Y416-Y543 AromaticContact CE2-CD2 3.92Å; Y416-Y543 HydrophobicContact CE2-CD2 3.92Å; Y416-Y543 AromaticContact CE2-CE2 3.76Å; Y416-Y543 HydrophobicContact CE2-CE2 3.76Å; Y416-Y543 AromaticContact CG-CE2 3.93Å; Y416-Y543 HydrophobicContact CG-CE2 3.93Å; G441-Y543 WeakPolarHBondContact CA-OH 3.44Å; P442-Y543 WeakPolarHBondContact CD-OH 3.4Å; P442-Y543 WeakPolarHBondContact CG-OH 3Å; P442-Y543 WeakPolarHBondContact O-CE1 3.5Å; P442-Y543 PolarHBondContact O-OH 2.9Å; L444-Y543 HydrophobicContact CB-CE1 4.35Å; L444-Y543 HydrophobicContact CD1-CD1 3.57Å; L444-Y543 HydrophobicContact CD1-CE1 3.65Å; L444-Y543 HydrophobicContact CD1-CG 4.05Å; L444-Y543 HydrophobicContact CG-CD1 3.93Å; L444-Y543 HydrophobicContact CG-CE1 3.56Å; I466-Y543 HydrophobicContact CG2-CD2 3.71Å; I466-Y543 HydrophobicContact CG2-CG 4.19Å; Q467-Y543 CarbonylContact O-C 3.57Å; Q467-Y543 WeakPolarHBondContact O-CA 3.43Å; Y543-V558 CarbonylContact O-C 3.59Å; Y543-V558 WeakPolarHBondContact O-CA 3.44Å; Y543-G559 WeakPolarHBondContact CD1-O 3.12Å; Y543-G559 PolarHBondContact N-O 3.46Å; Y543-G559 PolarHBondContact O-N 2.81Å; Y543-P560 VanDerWaalsContact CE1-O 3.32Å; Y543-P560 WeakPolarHBondContact CE1-O 3.35Å; Y543-L561 HydrophobicContact CD1-CB 4.32Å
544	Y	98.1	Very high	95.3	Very high	5 Å²	5	17.6 Å²	17.6	2%	0.02	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	169.3	-173.1	58.6	-75.7	0	0	0	110.5	Y416 I466 Q467 H469 A546 P549 T553 L557 H683	Y416-Y544 VanDerWaalsContact OH-C 3.29Å; I466-Y544 CarbonylContact C-O 3.56Å; I466-Y544 WeakPolarHBondContact CA-O 3.24Å; Q467-Y544 HydrophobicContact CB-CE1 4.28Å; Q467-Y544 HydrophobicContact CB-CE2 4.34Å; Q467-Y544 HydrophobicContact CG-CE1 3.96Å; Q467-Y544 HydrophobicContact CG-CE2 4.24Å; Q467-Y544 PolarHBondContact N-O 3.04Å; Q467-Y544 WeakPolarHBondContact O-CD1 3.5Å; Q467-Y544 PolarHBondContact O-N 3.32Å; H469-Y544 AromaticContact CD2-CE1 3.78Å; H469-Y544 AromaticContact CE1-CE1 3.7Å; H469-Y544 AromaticContact NE2-CD1 3.96Å; H469-Y544 AromaticContact NE2-CE1 3.16Å; H469-Y544 WeakPolarHBondContact NE2-CE1 3.45Å; H469-Y544 AromaticContact NE2-CZ 3.88Å; Y544-A546 HydrophobicContact CD2-CB 4.2Å; Y544-A546 HydrophobicContact CE2-CB 3.77Å; Y544-P549 HydrophobicContact CD2-CB 4.39Å; Y544-P549 HydrophobicContact CE2-CB 4.02Å; Y544-T553 HydrophobicContact CD2-CG2 4.2Å; Y544-T553 HydrophobicContact CG-CG2 4.36Å; Y544-L557 VanDerWaalsContact CA-O 3.29Å; Y544-L557 WeakPolarHBondContact CA-O 3.08Å; Y544-L557 WeakPolarHBondContact CB-O 3.33Å; Y544-H683 AromaticContact CD1-CE1 3.84Å; Y544-H683 AromaticContact CD2-CE1 3.89Å; Y544-H683 AromaticContact CE1-CE1 3.65Å; Y544-H683 AromaticContact CE1-ND1 3.73Å; Y544-H683 AromaticContact CE2-CE1 3.67Å; Y544-H683 AromaticContact CG-CE1 3.98Å; Y544-H683 AromaticContact CZ-CE1 3.54Å; Y544-H683 AromaticContact CZ-ND1 3.91Å
545	S	97.9	Very high	96	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.			trans	-87.6	137.1	169.5	174.5	0	0	0	0	109.3	Y416 Y464 T465 D552 L557	Y416-S545 WeakPolarHBondContact OH-CA 3.32Å; Y416-S545 WeakPolarHBondContact OH-CB 3.29Å; Y416-S545 PolarHBondContact OH-N 3.43Å; Y464-S545 WeakPolarHBondContact CA-OG 3.35Å; T465-S545 PolarHBondContact N-OG 2.73Å; T465-S545 WeakPolarHBondContact O-CA 3.46Å; T465-S545 WeakPolarHBondContact O-CB 3.37Å; S545-D552 WeakPolarHBondContact CB-OD2 3.31Å; S545-D552 PolarHBondContact OG-OD2 2.57Å; S545-L557 VanDerWaalsContact CB-CD1 3.49Å; S545-L557 PolarHBondContact N-O 2.77Å
546	A	95.6	Very high	96.4	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.008	7%	0.071	C	C	.	.	B	Isolated β-bridge	trans	-128.8	29.7	-172.6	0	0	0	0	0	112.2	T465 Q467 T480 L481 Y544	T465-A546 PolarHBondContact OG1-N 2.9Å; Q467-A546 HydrophobicContact CB-CB 3.69Å; Q467-A546 HydrophobicContact CG-CB 4.08Å; T480-A546 WeakPolarHBondContact CA-O 3.33Å; T480-A546 HydrophobicContact CG2-CB 4.23Å; L481-A546 PolarHBondContact N-O 3.35Å; L481-A546 VanDerWaalsContact N-O 3.1Å; Y544-A546 HydrophobicContact CD2-CB 4.2Å; Y544-A546 HydrophobicContact CE2-CB 3.77Å
547	V	94.1	Very high	96.6	Very high	26 Å²	26	13.1 Å²	13.1	16%	0.158	7%	0.067	C	C	.	.	S	Bend	trans	-68.5	-47.4	165.6	179.6	0	0	0	0	108.6	P463 T465 L481 L512 D552	P463-V547 HydrophobicContact CG-CG1 4.49Å; T465-V547 HydrophobicContact CG2-CG2 3.48Å; T465-V547 VanDerWaalsContact CG2-CG2 3.48Å; L481-V547 HydrophobicContact CD2-CG1 4.22Å; L512-V547 HydrophobicContact CD1-CG1 4.13Å; V547-D552 WeakPolarHBondContact CB-OD2 3.4Å; V547-D552 PolarHBondContact N-OD2 3.01Å; V547-D552 VanDerWaalsContact N-OD2 3.13Å
548	D	94.9	Very high	96.8	Very high	49 Å²	49	12.2 Å²	12.2	26%	0.262	6%	0.061	S	C	.	.	S	Bend	trans	-138.1	92.1	166.6	-175.5	-37.3	0	0	0	106.3	V550 R551 D552 W594	D548-V550 PolarHBondContact O-N 2.98Å; D548-V550 VanDerWaalsContact O-N 3.13Å; D548-V550 PolarHBondContact OD1-N 3.47Å; D548-R551 HydrophobicContact CB-CB 4.23Å; D548-R551 PolarHBondContact O-N 3.12Å; D548-R551 WeakPolarHBondContact OD1-CG 3.41Å; D548-R551 PolarHBondContact OD1-N 3.13Å; D548-R551 VanDerWaalsContact OD1-N 3.07Å; D548-R551 VanDerWaalsContact OD2-CD 3.26Å; D548-R551 WeakPolarHBondContact OD2-CD 3.28Å; D548-R551 WeakPolarHBondContact OD2-CG 3.36Å; D548-D552 PolarHBondContact N-OD2 3.27Å; D548-D552 VanDerWaalsContact N-OD2 3.13Å; D548-D552 WeakPolarHBondContact O-CB 3.44Å; D548-D552 PolarHBondContact O-N 2.72Å; D548-W594 HydrophobicContact CB-CZ2 3.68Å
549	P	94.8	Very high	96.9	Very high	26 Å²	26	12.2 Å²	12.2	17%	0.169	6%	0.061	C	C	.	.	H	α-helix	trans	-59.8	-28.5	-168.5	23.2	-34.1	0	0	0	113.4	L346 Y544 T553	L346-P549 HydrophobicContact CD2-CB 4.3Å; L346-P549 HydrophobicContact CD2-CG 3.47Å; L346-P549 VanDerWaalsContact CD2-CG 3.47Å; Y544-P549 HydrophobicContact CD2-CB 4.39Å; Y544-P549 HydrophobicContact CE2-CB 4.02Å; P549-T553 WeakPolarHBondContact O-CB 3.48Å; P549-T553 WeakPolarHBondContact O-CG2 3.36Å; P549-T553 PolarHBondContact O-N 3.47Å; P549-T553 PolarHBondContact O-OG1 2.85Å
550	V	96.1	Very high	97	Very high	8 Å²	8	11.8 Å²	11.8	5%	0.048	6%	0.06	C	C	.	.	H	α-helix	trans	-72.2	-56.5	176.5	178.4	0	0	0	0	109.9	N343 L346 T347 D548 D552 T553 S554 L592	N343-V550 HydrophobicContact CB-CG1 4Å; N343-V550 HydrophobicContact CB-CG2 3.89Å; L346-V550 HydrophobicContact CD2-CG2 4.45Å; T347-V550 HydrophobicContact CG2-CG2 3.9Å; D548-V550 PolarHBondContact O-N 2.98Å; D548-V550 VanDerWaalsContact O-N 3.13Å; D548-V550 PolarHBondContact OD1-N 3.47Å; V550-D552 PolarHBondContact O-N 3.05Å; V550-T553 PolarHBondContact O-OG1 3.49Å; V550-S554 WeakPolarHBondContact O-CB 3.39Å; V550-S554 PolarHBondContact O-N 2.64Å; V550-S554 VanDerWaalsContact O-N 3.15Å; V550-S554 PolarHBondContact O-OG 3.23Å; V550-L592 HydrophobicContact CG1-CD1 3.75Å
551	R	97.2	Very high	97	Very high	86 Å²	86	11.3 Å²	11.3	33%	0.325	6%	0.057	S	C	.	.	H	α-helix	trans	-71.8	-35	-174.7	-59.5	-171.1	70.8	166.1	4.6	112.8	D548 S555 L592 W594	D548-R551 HydrophobicContact CB-CB 4.23Å; D548-R551 PolarHBondContact O-N 3.12Å; D548-R551 WeakPolarHBondContact OD1-CG 3.41Å; D548-R551 PolarHBondContact OD1-N 3.13Å; D548-R551 VanDerWaalsContact OD1-N 3.07Å; D548-R551 VanDerWaalsContact OD2-CD 3.26Å; D548-R551 WeakPolarHBondContact OD2-CD 3.28Å; D548-R551 WeakPolarHBondContact OD2-CG 3.36Å; R551-S555 VanDerWaalsContact O-CB 3.25Å; R551-S555 WeakPolarHBondContact O-CB 3.47Å; R551-S555 PolarHBondContact O-N 3Å; R551-S555 PolarHBondContact O-OG 3.35Å; R551-L592 WeakPolarHBondContact CB-O 3.47Å; R551-L592 WeakPolarHBondContact CG-O 3.33Å; R551-L592 PolarHBondContact NE-O 2.84Å; R551-L592 VanDerWaalsContact NE-O 3.09Å; R551-W594 HydrophobicContact CB-CD2 4.17Å; R551-W594 HydrophobicContact CB-CG 4.46Å; R551-W594 HydrophobicContact CB-CZ2 3.88Å; R551-W594 HydrophobicContact CG-CZ2 4.37Å
552	D	97.9	Very high	97.1	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-67.3	-42.7	-179	-69.1	-10.5	0	0	0	111.7	Y464 S545 V547 D548 V550 S555 G556 L557 W594	Y464-D552 WeakPolarHBondContact CE1-OD1 3.39Å; S545-D552 WeakPolarHBondContact CB-OD2 3.31Å; S545-D552 PolarHBondContact OG-OD2 2.57Å; V547-D552 WeakPolarHBondContact CB-OD2 3.4Å; V547-D552 PolarHBondContact N-OD2 3.01Å; V547-D552 VanDerWaalsContact N-OD2 3.13Å; D548-D552 PolarHBondContact N-OD2 3.27Å; D548-D552 VanDerWaalsContact N-OD2 3.13Å; D548-D552 WeakPolarHBondContact O-CB 3.44Å; D548-D552 PolarHBondContact O-N 2.72Å; V550-D552 PolarHBondContact O-N 3.05Å; D552-S555 PolarHBondContact O-N 3.42Å; D552-G556 PolarHBondContact O-N 2.99Å; D552-L557 PolarHBondContact O-N 3.41Å; D552-L557 VanDerWaalsContact O-N 3.08Å; D552-W594 PolarHBondContact OD1-NE1 3.33Å
553	T	97	Very high	97	Very high	5 Å²	5	10.5 Å²	10.5	3%	0.031	5%	0.053	C	C	.	.	H	α-helix	trans	-71.6	-43.3	177.9	56.5	0	0	0	0	111.5	Y544 P549 V550 S555 G556 L652	Y544-T553 HydrophobicContact CD2-CG2 4.2Å; Y544-T553 HydrophobicContact CG-CG2 4.36Å; P549-T553 WeakPolarHBondContact O-CB 3.48Å; P549-T553 WeakPolarHBondContact O-CG2 3.36Å; P549-T553 PolarHBondContact O-N 3.47Å; P549-T553 PolarHBondContact O-OG1 2.85Å; V550-T553 PolarHBondContact O-OG1 3.49Å; T553-S555 PolarHBondContact O-N 2.93Å; T553-G556 WeakPolarHBondContact O-CA 3.21Å; T553-G556 PolarHBondContact O-N 3.32Å; T553-L652 HydrophobicContact CG2-CD1 4.18Å
554	S	97.2	Very high	96.9	Very high	6 Å²	6	10.5 Å²	10.5	4%	0.042	5%	0.053	C	C	.	.	H	α-helix	trans	-58.1	-34.2	171.4	-67.2	0	0	0	0	112.4	K413 V550 G556 D589	K413-S554 PolarHBondContact NZ-O 3.27Å; V550-S554 WeakPolarHBondContact O-CB 3.39Å; V550-S554 PolarHBondContact O-N 2.64Å; V550-S554 VanDerWaalsContact O-N 3.15Å; V550-S554 PolarHBondContact O-OG 3.23Å; S554-G556 VanDerWaalsContact C-N 3.29Å; S554-G556 PolarHBondContact O-N 2.98Å; S554-D589 WeakPolarHBondContact CB-O 3.46Å
555	S	98	Very high	96.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-72.6	-17.5	174.6	-57.6	0	0	0	0	113.9	K413 V414 R551 D552 T553 W594	K413-S555 WeakPolarHBondContact CA-O 3.18Å; K413-S555 WeakPolarHBondContact CB-O 3.43Å; V414-S555 PolarHBondContact N-O 2.72Å; R551-S555 VanDerWaalsContact O-CB 3.25Å; R551-S555 WeakPolarHBondContact O-CB 3.47Å; R551-S555 PolarHBondContact O-N 3Å; R551-S555 PolarHBondContact O-OG 3.35Å; D552-S555 PolarHBondContact O-N 3.42Å; T553-S555 PolarHBondContact O-N 2.93Å; S555-W594 PolarHBondContact OG-N 3.26Å
556	G	97.1	Very high	96.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	122.1	3.9	171.4	0	0	0	0	0	116.8	V414 D552 T553 S554 V558	V414-G556 CarbonylContact O-C 3.51Å; V414-G556 VanDerWaalsContact O-CA 3.28Å; V414-G556 WeakPolarHBondContact O-CA 3.45Å; D552-G556 PolarHBondContact O-N 2.99Å; T553-G556 WeakPolarHBondContact O-CA 3.21Å; T553-G556 PolarHBondContact O-N 3.32Å; S554-G556 VanDerWaalsContact C-N 3.29Å; S554-G556 PolarHBondContact O-N 2.98Å; G556-V558 PolarHBondContact O-N 3.26Å; G556-V558 VanDerWaalsContact O-N 3.11Å
557	L	98.2	Very high	96.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.112	C	C	.	.			trans	-85.6	81.9	-176.4	-71.3	-178.4	0	0	0	113.7	A379 V414 Y416 Y464 Y544 S545 D552	A379-L557 HydrophobicContact CB-CD2 4.11Å; V414-L557 HydrophobicContact CB-CD2 4.42Å; V414-L557 HydrophobicContact CB-CG 4.49Å; V414-L557 HydrophobicContact CG1-CD1 4.1Å; V414-L557 HydrophobicContact CG1-CD2 4.09Å; V414-L557 HydrophobicContact CG1-CG 3.66Å; V414-L557 HydrophobicContact CG2-CD1 4.36Å; V414-L557 HydrophobicContact CG2-CD2 3.79Å; V414-L557 HydrophobicContact CG2-CG 4.19Å; Y416-L557 HydrophobicContact CD1-CD2 3.95Å; Y416-L557 HydrophobicContact CD2-CB 4.49Å; Y416-L557 HydrophobicContact CD2-CD2 4.13Å; Y416-L557 HydrophobicContact CE1-CD2 3.82Å; Y416-L557 VanDerWaalsContact CE2-C 3.46Å; Y416-L557 HydrophobicContact CE2-CB 3.79Å; Y416-L557 HydrophobicContact CE2-CD2 4.03Å; Y416-L557 HydrophobicContact CE2-CG 4.46Å; Y416-L557 HydrophobicContact CG-CD2 4.09Å; Y464-L557 HydrophobicContact CD1-CD1 3.34Å; Y464-L557 HydrophobicContact CD2-CD1 3.7Å; Y464-L557 HydrophobicContact CE1-CD1 3.82Å; Y464-L557 HydrophobicContact CE2-CD1 4.13Å; Y464-L557 HydrophobicContact CG-CD1 3.28Å; Y544-L557 VanDerWaalsContact CA-O 3.29Å; Y544-L557 WeakPolarHBondContact CA-O 3.08Å; Y544-L557 WeakPolarHBondContact CB-O 3.33Å; S545-L557 VanDerWaalsContact CB-CD1 3.49Å; S545-L557 PolarHBondContact N-O 2.77Å; D552-L557 PolarHBondContact O-N 3.41Å; D552-L557 VanDerWaalsContact O-N 3.08Å
558	V	98.1	Very high	96.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146.7	173.3	55.9	0	0	0	0	110.7	L440 G441 L542 Y543 G556 M584 L652	L440-V558 HydrophobicContact CD2-CG1 3.93Å; G441-V558 PolarHBondContact N-O 3.41Å; L542-V558 HydrophobicContact CD2-CG2 4.13Å; Y543-V558 CarbonylContact O-C 3.59Å; Y543-V558 WeakPolarHBondContact O-CA 3.44Å; G556-V558 PolarHBondContact O-N 3.26Å; G556-V558 VanDerWaalsContact O-N 3.11Å; V558-M584 HydrophobicContact CB-SD 4.2Å; V558-M584 HydrophobicContact CG1-CE 3.76Å; V558-M584 HydrophobicContact CG1-SD 3.48Å; V558-M584 WeakPolarHBondContact CG1-SD 3.49Å; V558-M584 HydrophobicContact CG2-SD 3.72Å; V558-L652 HydrophobicContact CB-CD1 4Å; V558-L652 HydrophobicContact CG1-CD1 4.12Å; V558-L652 HydrophobicContact CG2-CD1 3.86Å
559	G	98.1	Very high	96	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	163.6	169.6	0	0	0	0	0	112.8	L542 Y543	L542-G559 CarbonylContact C-O 3.54Å; L542-G559 WeakPolarHBondContact CA-O 3.21Å; Y543-G559 WeakPolarHBondContact CD1-O 3.12Å; Y543-G559 PolarHBondContact N-O 3.46Å; Y543-G559 PolarHBondContact O-N 2.81Å
560	P	97.8	Very high	95.6	Very high	7 Å²	7	22.7 Å²	22.7	5%	0.045	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	143.2	-177	31.2	-32.7	0	0	0	112.7	V443 L444 Y543	V443-P560 WeakPolarHBondContact CA-O 3.44Å; V443-P560 HydrophobicContact CB-CG 4.08Å; V443-P560 HydrophobicContact CG1-CG 4.2Å; V443-P560 HydrophobicContact CG2-CG 3.64Å; L444-P560 PolarHBondContact N-O 3.23Å; Y543-P560 VanDerWaalsContact CE1-O 3.32Å; Y543-P560 WeakPolarHBondContact CE1-O 3.35Å
561	L	97.8	Very high	94.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.1	172.7	-173.8	153.8	0	0	0	109.2	L444 I452 P468 V471 W523 Y541 Y543 V563	L444-L561 HydrophobicContact CB-CB 4.35Å; L444-L561 HydrophobicContact CB-CD1 4.45Å; L444-L561 HydrophobicContact CB-CG 4.16Å; L444-L561 HydrophobicContact CD1-CD1 4.48Å; L444-L561 CarbonylContact O-C 3.47Å; L444-L561 WeakPolarHBondContact O-CA 3.44Å; I452-L561 HydrophobicContact CD1-CD1 4.17Å; P468-L561 HydrophobicContact CB-CD1 4.06Å; V471-L561 HydrophobicContact CG1-CD1 4.22Å; V471-L561 HydrophobicContact CG1-CD2 4.06Å; W523-L561 HydrophobicContact CE3-CD1 4.39Å; W523-L561 HydrophobicContact CZ3-CD1 4.17Å; Y541-L561 CarbonylContact C-O 3.58Å; Y541-L561 WeakPolarHBondContact CA-O 3.44Å; Y541-L561 HydrophobicContact CD2-CD2 4.22Å; Y541-L561 PolarHBondContact N-O 2.8Å; Y541-L561 PolarHBondContact O-N 3.47Å; Y541-L561 VanDerWaalsContact O-O 3.05Å; Y543-L561 HydrophobicContact CD1-CB 4.32Å; L561-V563 HydrophobicContact CD2-CG2 3.65Å
562	L	97.4	Very high	93.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.7	175.9	-58.3	-174.4	0	0	0	111.2	V443 L444 R445 A446 C538 L539 H648	V443-L562 HydrophobicContact CG1-CD1 4.12Å; V443-L562 HydrophobicContact CG1-CG 4.03Å; L444-L562 PolarHBondContact O-N 3.13Å; R445-L562 HydrophobicContact CG-CB 4.22Å; R445-L562 HydrophobicContact CG-CD1 4.26Å; R445-L562 HydrophobicContact CG-CG 4.46Å; A446-L562 PolarHBondContact N-O 2.95Å; C538-L562 HydrophobicContact CB-CB 4.34Å; L539-L562 WeakPolarHBondContact O-CA 3.41Å; L562-H648 HydrophobicContact CD2-CB 4.5Å; L562-H648 WeakPolarHBondContact CD2-ND1 3.16Å
563	V	96.4	Very high	93.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.2	169.2	178.5	0	0	0	0	109.1	V471 V525 C538 L539 Y541 L561	V471-V563 HydrophobicContact CG1-CG2 4.26Å; V525-V563 HydrophobicContact CG1-CG1 3.47Å; V525-V563 VanDerWaalsContact CG1-CG1 3.47Å; C538-V563 CarbonylContact C-O 3.48Å; C538-V563 VanDerWaalsContact CA-O 3.3Å; C538-V563 WeakPolarHBondContact CA-O 3.43Å; L539-V563 PolarHBondContact N-O 3.45Å; L539-V563 PolarHBondContact O-N 3.44Å; L539-V563 VanDerWaalsContact O-N 3.09Å; Y541-V563 HydrophobicContact CD2-CB 4.24Å; Y541-V563 HydrophobicContact CD2-CG2 3.81Å; Y541-V563 HydrophobicContact CE2-CB 3.99Å; Y541-V563 HydrophobicContact CE2-CG2 3.86Å; L561-V563 HydrophobicContact CD2-CG2 3.65Å
564	C	95.6	Very high	93.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	153.9	-167.9	-60.3	0	0	0	0	112.8	A446 E447 E448 D537 C538 S568 L569	A446-C564 PolarHBondContact O-N 3.37Å; E447-C564 CarbonylContact C-O 3.53Å; E447-C564 VanDerWaalsContact CA-O 3.25Å; E447-C564 WeakPolarHBondContact CA-O 3.37Å; E447-C564 HydrophobicContact CG-CB 4.36Å; E448-C564 PolarHBondContact N-O 3.21Å; D537-C564 CarbonylContact O-C 3.49Å; D537-C564 VanDerWaalsContact O-CA 3.31Å; D537-C564 WeakPolarHBondContact O-CA 3.46Å; C538-C564 HydrophobicContact CB-CB 4.08Å; C538-C564 WeakPolarHBondContact CB-SG 3.23Å; C538-C564 WeakPolarHBondContact SG-CB 3.4Å; C538-C564 CovalentContact SG-SG 2.04Å; C538-C564 PolarHBondContact SG-SG 2.75Å; C564-S568 WeakPolarHBondContact CB-OG 3.49Å; C564-L569 HydrophobicContact CB-CD1 4.2Å; C564-L569 HydrophobicContact CB-CD2 4.3Å; C564-L569 HydrophobicContact CB-CG 4.02Å
565	R	93.5	Very high	92.8	Very high	67 Å²	67	39 Å²	39	25%	0.253	21%	0.212	S	C	.	.			trans	-64.9	145.1	172.2	-171.8	174.3	-67.6	117	-2.1	110.7	P531 V532 D537 G567 S568	P531-R565 VanDerWaalsContact C-NH2 3.33Å; P531-R565 PolarHBondContact O-NE 2.87Å; P531-R565 PolarHBondContact O-NH2 3.24Å; V532-R565 PolarHBondContact O-NH2 2.83Å; D537-R565 PolarHBondContact O-N 3.31Å; D537-R565 IonicContact OD1-NH1 3.91Å; R565-G567 PolarHBondContact O-N 2.82Å; R565-S568 VanDerWaalsContact O-CB 3.3Å; R565-S568 WeakPolarHBondContact O-CB 3.32Å; R565-S568 PolarHBondContact O-N 3.14Å; R565-S568 PolarHBondContact O-OG 3.39Å
566	P	91.9	Very high	92.5	Very high	70 Å²	70	43.1 Å²	43.1	46%	0.455	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	132.3	177.1	-30.7	37	0	0	0	114.4	E447 E448 S568	E447-P566 WeakPolarHBondContact OE2-CA 3.28Å; E448-P566 HydrophobicContact CB-CG 3.92Å; P566-S568 VanDerWaalsContact C-N 3.29Å; P566-S568 PolarHBondContact O-N 3.16Å
567	G	90.9	Very high	92.3	Very high	53 Å²	53	45.3 Å²	45.3	55%	0.546	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	10.3	179	0	0	0	0	0	115.4	E447 R565	E447-G567 WeakPolarHBondContact OE1-CA 3.3Å; E447-G567 PolarHBondContact OE1-N 3.05Å; E447-G567 PolarHBondContact OE2-N 2.99Å; R565-G567 PolarHBondContact O-N 2.82Å
568	S	92.9	Very high	92	Very high	6 Å²	6	50 Å²	50	4%	0.042	27%	0.268	C	S	.	.			trans	-88	-16.7	178.1	77.7	0	0	0	0	113	E447 C564 R565 P566 K575	E447-S568 PolarHBondContact OE1-N 2.72Å; C564-S568 WeakPolarHBondContact CB-OG 3.49Å; R565-S568 VanDerWaalsContact O-CB 3.3Å; R565-S568 WeakPolarHBondContact O-CB 3.32Å; R565-S568 PolarHBondContact O-N 3.14Å; R565-S568 PolarHBondContact O-OG 3.39Å; P566-S568 VanDerWaalsContact C-N 3.29Å; P566-S568 PolarHBondContact O-N 3.16Å; S568-K575 VanDerWaalsContact O-CB 3.27Å; S568-K575 WeakPolarHBondContact O-CB 3.2Å; S568-K575 PolarHBondContact O-N 3.27Å
569	L	92.5	Very high	91.9	Very high	24 Å²	24	53 Å²	53	13%	0.126	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	139.3	175.8	-62.4	-177.8	0	0	0	111.9	R445 E447 C564 A573 Q574	R445-L569 HydrophobicContact CB-CD1 4.06Å; E447-L569 HydrophobicContact CG-CB 4.26Å; E447-L569 HydrophobicContact CG-CD1 3.8Å; E447-L569 HydrophobicContact CG-CG 3.96Å; E447-L569 WeakPolarHBondContact OE1-CB 3.31Å; E447-L569 PolarHBondContact OE1-N 2.87Å; C564-L569 HydrophobicContact CB-CD1 4.2Å; C564-L569 HydrophobicContact CB-CD2 4.3Å; C564-L569 HydrophobicContact CB-CG 4.02Å; L569-A573 WeakPolarHBondContact CA-O 3.24Å; L569-Q574 HydrophobicContact CD2-CG 4.22Å
570	K	86.9	Confident	91.7	Very high	143 Å²	143	54.6 Å²	54.6	62%	0.622	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	116.1	171.6	-175.4	-179.5	-179.7	-176.6	0	109.6	G572 A573 K575	K570-G572 PolarHBondContact O-N 3.33Å; K570-A573 PolarHBondContact N-O 3.26Å; K570-A573 PolarHBondContact O-N 2.99Å; K570-A573 VanDerWaalsContact O-N 3.15Å; K570-K575 HydrophobicContact CB-CB 4.45Å
571	K	81.3	Confident	91.7	Very high	212 Å²	212	54.5 Å²	54.5	92%	0.922	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	36.1	-174.7	-59.2	-176.4	175	-174.1	0	112.8
572	G	75.8	Confident	91.7	Very high	34 Å²	34	54.7 Å²	54.7	35%	0.351	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	10.3	179.3	0	0	0	0	0	115.7	R445 K570	R445-G572 WeakPolarHBondContact CD-O 3.16Å; R445-G572 PolarHBondContact NE-O 3.22Å; K570-G572 PolarHBondContact O-N 3.33Å
573	A	85.4	Confident	91.8	Very high	53 Å²	53	54.7 Å²	54.7	44%	0.438	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	153.1	172.4	0	0	0	0	0	111.3	L569 K570 K575	L569-A573 WeakPolarHBondContact CA-O 3.24Å; K570-A573 PolarHBondContact N-O 3.26Å; K570-A573 PolarHBondContact O-N 2.99Å; K570-A573 VanDerWaalsContact O-N 3.15Å; A573-K575 PolarHBondContact O-N 2.93Å
574	Q	91.7	Very high	91.8	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.065	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	129.1	175.1	-68.6	-176.1	77.3	0	0	111.2	C538 L569 Y577 E580 T646 H648	C538-Q574 VanDerWaalsContact SG-CD 3.52Å; C538-Q574 VanDerWaalsContact SG-CG 3.57Å; L569-Q574 HydrophobicContact CD2-CG 4.22Å; Q574-Y577 HydrophobicContact CB-CD2 3.96Å; Q574-E580 WeakPolarHBondContact CG-OE2 3.46Å; Q574-E580 PolarHBondContact NE2-OE2 3.4Å; Q574-T646 PolarHBondContact NE2-OG1 3.46Å; Q574-H648 PolarHBondContact NE2-NE2 2.9Å; Q574-H648 VanDerWaalsContact NE2-NE2 3.13Å
575	K	90.9	Very high	91.9	Very high	135 Å²	135	54.7 Å²	54.7	59%	0.587	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-32.2	-174	179.8	-175.9	169.5	-168.7	0	113.6	S568 K570 A573	S568-K575 VanDerWaalsContact O-CB 3.27Å; S568-K575 WeakPolarHBondContact O-CB 3.2Å; S568-K575 PolarHBondContact O-N 3.27Å; K570-K575 HydrophobicContact CB-CB 4.45Å; A573-K575 PolarHBondContact O-N 2.93Å
576	N	91.8	Very high	92.1	Very high	86 Å²	86	51.7 Å²	51.7	46%	0.46	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	3.2	-167.7	-62.2	-37.8	0	0	0	114.3	D537	D537-N576 VanDerWaalsContact OD2-CB 3.32Å; D537-N576 WeakPolarHBondContact OD2-CB 3.4Å; D537-N576 PolarHBondContact OD2-ND2 2.79Å
577	Y	92.8	Very high	92.3	Very high	47 Å²	47	49 Å²	49	18%	0.184	26%	0.26	C	S	.	.			trans	-120.2	146.1	-178.7	-62.6	-79.3	0	0	0	111.3	D537 Q574 K644 T646 T689	D537-Y577 HydrophobicContact CB-CE2 4.03Å; Q574-Y577 HydrophobicContact CB-CD2 3.96Å; Y577-K644 HydrophobicContact CD1-CB 3.95Å; Y577-T646 HydrophobicContact CD1-CG2 3.52Å; Y577-T646 HydrophobicContact CD2-CG2 3.55Å; Y577-T646 HydrophobicContact CE1-CG2 3.44Å; Y577-T646 VanDerWaalsContact CE1-CG2 3.44Å; Y577-T646 HydrophobicContact CE2-CG2 3.48Å; Y577-T646 VanDerWaalsContact CE2-CG2 3.48Å; Y577-T646 HydrophobicContact CG-CG2 3.56Å; Y577-T646 VanDerWaalsContact CZ-CG2 3.4Å; Y577-T689 HydrophobicContact CE1-CG2 3.68Å; Y577-T689 WeakPolarHBondContact OH-CG2 3.11Å
578	N	93.9	Very high	92.6	Very high	98 Å²	98	46.7 Å²	46.7	52%	0.524	23%	0.234	S	C	.	.	S	Bend	trans	-81.4	-36.3	178.1	-62.6	97.4	0	0	0	111.4	D643 K644	N578-D643 HydrophobicContact CB-CB 3.87Å; N578-K644 PolarHBondContact N-O 3.06Å; N578-K644 PolarHBondContact OD1-N 3.12Å
579	K	94.3	Very high	92.9	Very high	63 Å²	63	47.6 Å²	47.6	27%	0.274	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	147.8	180	-64.3	-67.4	-174.6	177.6	0	110.6	F581 M639 K644 T645 T646	K579-F581 HydrophobicContact CB-CE2 3.74Å; K579-F581 HydrophobicContact CB-CZ 3.97Å; K579-F581 HydrophobicContact CD-CZ 4.44Å; K579-F581 HydrophobicContact CG-CE2 4.42Å; K579-F581 HydrophobicContact CG-CZ 4.29Å; K579-M639 HydrophobicContact CG-CB 4.15Å; K579-K644 PolarHBondContact N-O 3.44Å; K579-T645 HydrophobicContact CB-CG2 3.85Å; K579-T645 HydrophobicContact CG-CG2 4.44Å; K579-T645 WeakPolarHBondContact O-CA 3.41Å; K579-T646 PolarHBondContact O-N 2.86Å; K579-T646 PolarHBondContact O-OG1 2.81Å
580	E	95.4	Very high	93.1	Very high	34 Å²	34	46.5 Å²	46.5	16%	0.159	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	127.9	176.6	-179.3	-176.9	106.1	0	0	107.4	R445 Q574 H582 T646 H648	R445-E580 IonicContact CZ-OE1 3.41Å; R445-E580 IonicContact NE-OE1 3.2Å; R445-E580 PolarHBondContact NE-OE1 2.77Å; R445-E580 IonicContact NH2-OE1 3.8Å; R445-E580 PolarHBondContact NH2-OE1 3.5Å; Q574-E580 WeakPolarHBondContact CG-OE2 3.46Å; Q574-E580 PolarHBondContact NE2-OE2 3.4Å; E580-H582 IonicContact OE1-CD2 2.67Å; E580-H582 IonicContact OE1-CE1 3.07Å; E580-H582 IonicContact OE1-NE2 3.51Å; E580-H582 PolarHBondContact OE1-NE2 3.4Å; E580-T646 WeakPolarHBondContact CA-O 3.45Å; E580-H648 IonicContact OE2-NE2 2.83Å
581	F	97.6	Very high	93.6	Very high	4 Å²	4	41 Å²	41	2%	0.018	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.6	178.2	-62.2	-64.6	0	0	0	110.6	H436 K579 L637 M639 T646 W647 H648	H436-F581 AromaticContact CE1-CD1 3.97Å; H436-F581 AromaticContact ND1-CD1 3.87Å; K579-F581 HydrophobicContact CB-CE2 3.74Å; K579-F581 HydrophobicContact CB-CZ 3.97Å; K579-F581 HydrophobicContact CD-CZ 4.44Å; K579-F581 HydrophobicContact CG-CE2 4.42Å; K579-F581 HydrophobicContact CG-CZ 4.29Å; F581-L637 HydrophobicContact CB-CD2 4.33Å; F581-L637 HydrophobicContact CD1-CD2 3.56Å; F581-L637 HydrophobicContact CE1-CD2 4.06Å; F581-L637 HydrophobicContact CG-CD2 4Å; F581-M639 HydrophobicContact CD2-CE 3.92Å; F581-M639 HydrophobicContact CE2-CB 4.38Å; F581-M639 HydrophobicContact CE2-CE 3.25Å; F581-M639 HydrophobicContact CE2-SD 4.35Å; F581-M639 HydrophobicContact CZ-CE 3.95Å; F581-T646 PolarHBondContact N-O 2.85Å; F581-W647 HydrophobicContact CB-CD2 3.96Å; F581-W647 HydrophobicContact CB-CE3 3.38Å; F581-W647 HydrophobicContact CB-CH2 4.37Å; F581-W647 HydrophobicContact CB-CZ3 3.59Å; F581-W647 HydrophobicContact CD2-CD2 4.04Å; F581-W647 AromaticContact CD2-CE2 3.88Å; F581-W647 HydrophobicContact CD2-CE3 4.06Å; F581-W647 AromaticContact CD2-CH2 3.83Å; F581-W647 HydrophobicContact CD2-CH2 3.83Å; F581-W647 AromaticContact CD2-CZ2 3.85Å; F581-W647 HydrophobicContact CD2-CZ2 3.85Å; F581-W647 AromaticContact CD2-CZ3 3.92Å; F581-W647 HydrophobicContact CD2-CZ3 3.92Å; F581-W647 HydrophobicContact CE2-CH2 4.44Å; F581-W647 HydrophobicContact CE2-CZ2 4.35Å; F581-W647 HydrophobicContact CG-CD2 4.43Å; F581-W647 HydrophobicContact CG-CE3 4.04Å; F581-W647 HydrophobicContact CG-CH2 4.16Å; F581-W647 AromaticContact CG-CZ3 3.86Å; F581-W647 HydrophobicContact CG-CZ3 3.86Å; F581-W647 CarbonylContact O-C 3.58Å; F581-W647 WeakPolarHBondContact O-CA 3.17Å; F581-H648 PolarHBondContact O-N 3.47Å
582	H	97.9	Very high	94.4	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.019	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.2	175.9	-61.4	-101.6	0	0	0	108.9	H436 L437 E580 N627 H648	H436-H582 PolarHBondContact CD2-N 3.22Å; H436-H582 PolarHBondContact CD2-O 3.43Å; H436-H582 AromaticContact NE2-CD2 3.86Å; H436-H582 PolarHBondContact NE2-N 3.23Å; L437-H582 HydrophobicContact CD2-CB 3.77Å; E580-H582 IonicContact OE1-CD2 2.67Å; E580-H582 IonicContact OE1-CE1 3.07Å; E580-H582 IonicContact OE1-NE2 3.51Å; E580-H582 PolarHBondContact OE1-NE2 3.4Å; H582-N627 PolarHBondContact O-ND2 2.88Å; H582-H648 CarbonylContact C-O 3.59Å; H582-H648 WeakPolarHBondContact CA-O 3.32Å; H582-H648 AromaticContact CE1-CD2 3.48Å; H582-H648 PolarHBondContact CE1-CD2 3.34Å; H582-H648 VanDerWaalsContact CE1-CD2 3.48Å; H582-H648 AromaticContact CE1-CG 3.82Å; H582-H648 WeakPolarHBondContact ND1-CB 3.43Å; H582-H648 AromaticContact ND1-CD2 3.89Å; H582-H648 AromaticContact ND1-CG 3.89Å; H582-H648 AromaticContact NE2-CD2 3.71Å
583	L	98.3	Very high	95.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120	175.1	-55.9	-178.6	0	0	0	108.8	I626 N627 L634 L637 W647 H648 L649 S650 F663 V700	L583-I626 HydrophobicContact CB-CG2 4.18Å; L583-I626 HydrophobicContact CD2-CG2 3.89Å; L583-I626 HydrophobicContact CG-CG2 4.46Å; L583-N627 WeakPolarHBondContact CA-OD1 3.27Å; L583-L634 HydrophobicContact CD2-CD2 3.95Å; L583-L637 HydrophobicContact CD2-CD1 4.24Å; L583-L637 HydrophobicContact CD2-CD2 4.24Å; L583-W647 HydrophobicContact CD1-CE3 3.77Å; L583-W647 HydrophobicContact CD1-CZ3 3.7Å; L583-W647 HydrophobicContact CD2-CZ3 4.32Å; L583-W647 HydrophobicContact CG-CE3 4.03Å; L583-W647 HydrophobicContact CG-CZ3 4.07Å; L583-H648 PolarHBondContact N-O 3.26Å; L583-L649 HydrophobicContact CB-CD2 3.81Å; L583-L649 HydrophobicContact CD1-CD2 3.89Å; L583-L649 HydrophobicContact CG-CD2 4.09Å; L583-L649 CarbonylContact O-C 3.46Å; L583-L649 VanDerWaalsContact O-CA 3.29Å; L583-L649 WeakPolarHBondContact O-CA 3.41Å; L583-S650 PolarHBondContact O-N 3.03Å; L583-S650 PolarHBondContact O-OG 2.72Å; L583-F663 HydrophobicContact CD1-CE1 4.49Å; L583-F663 HydrophobicContact CD1-CZ 4.13Å; L583-V700 HydrophobicContact CD1-CG1 4.13Å; L583-V700 HydrophobicContact CD1-CG2 4.21Å
584	M	97.8	Very high	96	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	118.8	164	-173	-167.4	72.5	0	0	107.5	L440 V558 T586 F588 I626 N627 S650 L652	L440-M584 HydrophobicContact CD1-CB 4.12Å; L440-M584 HydrophobicContact CD2-CB 3.76Å; L440-M584 HydrophobicContact CD2-CE 3.66Å; L440-M584 HydrophobicContact CD2-CG 4.33Å; L440-M584 HydrophobicContact CD2-SD 3.59Å; L440-M584 VanDerWaalsContact CD2-SD 3.59Å; L440-M584 HydrophobicContact CG-CB 4.46Å; V558-M584 HydrophobicContact CB-SD 4.2Å; V558-M584 HydrophobicContact CG1-CE 3.76Å; V558-M584 HydrophobicContact CG1-SD 3.48Å; V558-M584 WeakPolarHBondContact CG1-SD 3.49Å; V558-M584 HydrophobicContact CG2-SD 3.72Å; M584-T586 HydrophobicContact CE-CG2 3.7Å; M584-F588 HydrophobicContact CE-CE1 4.5Å; M584-F588 HydrophobicContact CE-CE2 3.82Å; M584-F588 HydrophobicContact CE-CZ 3.5Å; M584-I626 WeakPolarHBondContact O-CA 3.4Å; M584-N627 PolarHBondContact N-OD1 3.25Å; M584-N627 PolarHBondContact O-N 3.3Å; M584-N627 PolarHBondContact O-OD1 3.42Å; M584-S650 VanDerWaalsContact CA-O 3.32Å; M584-S650 WeakPolarHBondContact CA-O 3.27Å; M584-S650 WeakPolarHBondContact CA-OG 2.96Å; M584-S650 WeakPolarHBondContact CB-OG 3.49Å; M584-L652 HydrophobicContact SD-CD1 3.7Å; M584-L652 HydrophobicContact SD-CG 4.13Å
585	A	97.5	Very high	96.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	130.4	175.9	0	0	0	0	0	108.6	A625 I626 S650 G651 I659 L661 V680 M712	A585-A625 WeakPolarHBondContact CA-O 3.35Å; A585-I626 HydrophobicContact CB-CG1 4.37Å; A585-S650 PolarHBondContact N-O 2.95Å; A585-G651 WeakPolarHBondContact O-CA 3.29Å; A585-I659 VanDerWaalsContact C-CD1 3.45Å; A585-I659 HydrophobicContact CB-CD1 4.18Å; A585-I659 HydrophobicContact CB-CG2 3.68Å; A585-I659 VanDerWaalsContact O-CD1 3.24Å; A585-I659 WeakPolarHBondContact O-CD1 3.39Å; A585-L661 HydrophobicContact CB-CD1 4.31Å; A585-L661 HydrophobicContact CB-CD2 3.89Å; A585-L661 HydrophobicContact CB-CG 4.42Å; A585-V680 HydrophobicContact CB-CG2 4.48Å; A585-M712 HydrophobicContact CB-SD 3.94Å
586	T	96.8	Very high	96.6	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.031	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	152	-176.8	-177.1	0	0	0	0	109.7	M584 F588 A625 L652	M584-T586 HydrophobicContact CE-CG2 3.7Å; T586-F588 HydrophobicContact CG2-CD2 3.57Å; T586-F588 HydrophobicContact CG2-CE2 3.47Å; T586-F588 VanDerWaalsContact CG2-CE2 3.47Å; T586-F588 HydrophobicContact CG2-CG 4.16Å; T586-F588 HydrophobicContact CG2-CZ 3.99Å; T586-F588 PolarHBondContact O-N 2.89Å; T586-A625 PolarHBondContact N-O 3.4Å; T586-A625 VanDerWaalsContact N-O 3.13Å; T586-A625 PolarHBondContact O-N 2.86Å; T586-L652 WeakPolarHBondContact CB-O 3.4Å; T586-L652 PolarHBondContact OG1-O 2.96Å
587	V	97.1	Very high	96.9	Very high	13 Å²	13	25.6 Å²	25.6	8%	0.079	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	102.6	161.1	-179.5	0	0	0	0	108.4	D589 K622 D657 M712	V587-D589 PolarHBondContact O-N 2.86Å; V587-K622 HydrophobicContact CG1-CB 3.72Å; V587-K622 HydrophobicContact CG1-CD 4.5Å; V587-K622 HydrophobicContact CG1-CG 4.18Å; V587-D657 WeakPolarHBondContact CB-OD1 3.47Å; V587-D657 WeakPolarHBondContact CG2-OD1 3.31Å; V587-D657 PolarHBondContact N-OD1 2.89Å; V587-M712 HydrophobicContact CG2-CE 4.32Å
588	F	97.1	Very high	97.1	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.018	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	99.8	171.6	-83.2	-82.9	0	0	0	109.2	Y386 I439 M584 T586 E590 M623 A625	Y386-F588 HydrophobicContact CE1-CB 4.07Å; Y386-F588 AromaticContact CE1-CD2 3.87Å; Y386-F588 HydrophobicContact CE1-CD2 3.87Å; Y386-F588 HydrophobicContact CE1-CG 4.12Å; Y386-F588 VanDerWaalsContact OH-CB 3.22Å; Y386-F588 WeakPolarHBondContact OH-CB 3.48Å; Y386-F588 VanDerWaalsContact OH-CG 3.31Å; Y386-F588 WeakPolarHBondContact OH-CG 3.07Å; I439-F588 HydrophobicContact CD1-CE1 4.32Å; I439-F588 HydrophobicContact CD1-CZ 4.2Å; I439-F588 HydrophobicContact CG2-CE2 4.14Å; I439-F588 HydrophobicContact CG2-CZ 3.7Å; M584-F588 HydrophobicContact CE-CE1 4.5Å; M584-F588 HydrophobicContact CE-CE2 3.82Å; M584-F588 HydrophobicContact CE-CZ 3.5Å; T586-F588 HydrophobicContact CG2-CD2 3.57Å; T586-F588 HydrophobicContact CG2-CE2 3.47Å; T586-F588 VanDerWaalsContact CG2-CE2 3.47Å; T586-F588 HydrophobicContact CG2-CG 4.16Å; T586-F588 HydrophobicContact CG2-CZ 3.99Å; T586-F588 PolarHBondContact O-N 2.89Å; F588-E590 PolarHBondContact O-N 2.81Å; F588-E590 VanDerWaalsContact O-N 3.17Å; F588-M623 HydrophobicContact CB-CB 4.17Å; F588-M623 PolarHBondContact N-O 2.82Å; F588-M623 PolarHBondContact O-N 2.86Å; F588-A625 HydrophobicContact CD2-CB 4.08Å
589	D	97.5	Very high	97.3	Very high	26 Å²	26	21.9 Å²	21.9	14%	0.139	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	94.8	174.3	-167.9	-19.5	0	0	0	110.8	S554 V587 N591 L592	S554-D589 WeakPolarHBondContact CB-O 3.46Å; V587-D589 PolarHBondContact O-N 2.86Å; D589-N591 PolarHBondContact O-N 2.87Å; D589-N591 WeakPolarHBondContact OD1-CA 3.22Å; D589-N591 WeakPolarHBondContact OD1-CB 3.36Å; D589-N591 VanDerWaalsContact OD1-CG 3.31Å; D589-N591 PolarHBondContact OD1-N 2.71Å; D589-N591 PolarHBondContact OD1-ND2 2.93Å; D589-L592 HydrophobicContact CB-CD1 4.18Å; D589-L592 HydrophobicContact CB-CG 4.32Å; D589-L592 PolarHBondContact O-N 2.85Å
590	E	98.1	Very high	97.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-10.8	177.8	-68.3	-78.6	-165.1	0	0	112.9	Y386 Y411 K413 F588 L592 S593 N621	Y386-E590 WeakPolarHBondContact CE2-OE1 3.2Å; Y386-E590 PolarHBondContact OH-OE1 3.15Å; Y386-E590 VanDerWaalsContact OH-OE1 3.08Å; Y411-E590 VanDerWaalsContact CB-OE1 3.29Å; Y411-E590 WeakPolarHBondContact CB-OE1 3.26Å; Y411-E590 HydrophobicContact CD1-CB 3.81Å; Y411-E590 HydrophobicContact CD1-CG 3.58Å; Y411-E590 HydrophobicContact CD2-CG 4.27Å; Y411-E590 HydrophobicContact CE1-CB 3.64Å; Y411-E590 HydrophobicContact CE1-CG 3.69Å; Y411-E590 HydrophobicContact CE2-CG 4.35Å; Y411-E590 HydrophobicContact CG-CG 3.9Å; K413-E590 WeakPolarHBondContact CD-OE1 3.47Å; K413-E590 IonicContact NZ-OE1 2.69Å; K413-E590 PolarHBondContact NZ-OE1 3.01Å; K413-E590 IonicContact NZ-OE2 3.37Å; K413-E590 PolarHBondContact NZ-OE2 2.87Å; F588-E590 PolarHBondContact O-N 2.81Å; F588-E590 VanDerWaalsContact O-N 3.17Å; E590-L592 VanDerWaalsContact C-N 3.26Å; E590-L592 PolarHBondContact O-N 3.45Å; E590-S593 WeakPolarHBondContact O-CB 3.33Å; E590-S593 PolarHBondContact O-N 2.81Å; E590-S593 VanDerWaalsContact OE2-CB 3.23Å; E590-S593 WeakPolarHBondContact OE2-CB 3.06Å; E590-S593 PolarHBondContact OE2-OG 3.12Å; E590-N621 HydrophobicContact CB-CB 4.16Å; E590-N621 PolarHBondContact N-O 3.1Å
591	N	97.6	Very high	97.6	Very high	27 Å²	27	26 Å²	26	14%	0.144	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-29.7	172.5	-50.8	-71.5	0	0	0	111.3	D589 L596 I618 N621	D589-N591 PolarHBondContact O-N 2.87Å; D589-N591 WeakPolarHBondContact OD1-CA 3.22Å; D589-N591 WeakPolarHBondContact OD1-CB 3.36Å; D589-N591 VanDerWaalsContact OD1-CG 3.31Å; D589-N591 PolarHBondContact OD1-N 2.71Å; D589-N591 PolarHBondContact OD1-ND2 2.93Å; N591-L596 WeakPolarHBondContact O-CD2 3.3Å; N591-I618 PolarHBondContact ND2-O 3.36Å; N591-N621 WeakPolarHBondContact OD1-CB 3.38Å; N591-N621 PolarHBondContact OD1-ND2 2.69Å
592	L	96.6	Very high	97.5	Very high	52 Å²	52	29.3 Å²	29.3	27%	0.272	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-12.5	177.3	-59.2	177.7	0	0	0	113	V550 R551 D589 E590	V550-L592 HydrophobicContact CG1-CD1 3.75Å; R551-L592 WeakPolarHBondContact CB-O 3.47Å; R551-L592 WeakPolarHBondContact CG-O 3.33Å; R551-L592 PolarHBondContact NE-O 2.84Å; R551-L592 VanDerWaalsContact NE-O 3.09Å; D589-L592 HydrophobicContact CB-CD1 4.18Å; D589-L592 HydrophobicContact CB-CG 4.32Å; D589-L592 PolarHBondContact O-N 2.85Å; E590-L592 VanDerWaalsContact C-N 3.26Å; E590-L592 PolarHBondContact O-N 3.45Å
593	S	97.6	Very high	97.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-56.1	140.8	178.9	-175.3	0	0	0	0	112.4	E590 Y595 L596	E590-S593 WeakPolarHBondContact O-CB 3.33Å; E590-S593 PolarHBondContact O-N 2.81Å; E590-S593 VanDerWaalsContact OE2-CB 3.23Å; E590-S593 WeakPolarHBondContact OE2-CB 3.06Å; E590-S593 PolarHBondContact OE2-OG 3.12Å; S593-Y595 PolarHBondContact O-N 2.93Å; S593-Y595 VanDerWaalsContact O-N 3.12Å; S593-Y595 PolarHBondContact OG-N 2.74Å; S593-L596 PolarHBondContact O-N 2.04Å
594	W	97.8	Very high	97.4	Very high	58 Å²	58	30.5 Å²	30.5	22%	0.22	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.9	171.2	-71.5	117.4	0	0	0	112.9	R462 Y464 D548 R551 D552 S555	R462-W594 VanDerWaalsContact CZ-CE3 3.41Å; R462-W594 VanDerWaalsContact NE-CD2 3.34Å; Y464-W594 AromaticContact CE1-CD1 3.95Å; D548-W594 HydrophobicContact CB-CZ2 3.68Å; R551-W594 HydrophobicContact CB-CD2 4.17Å; R551-W594 HydrophobicContact CB-CG 4.46Å; R551-W594 HydrophobicContact CB-CZ2 3.88Å; R551-W594 HydrophobicContact CG-CZ2 4.37Å; D552-W594 PolarHBondContact OD1-NE1 3.33Å; S555-W594 PolarHBondContact OG-N 3.26Å
595	Y	98.1	Very high	97.2	Very high	5 Å²	5	34.9 Å²	34.9	2%	0.02	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	4.2	-173.1	-56.3	-75.4	0	0	0	113.5	E381 K412 V414 Y464 S593 D597 E598 N599	E381-Y595 HydrophobicContact CG-CE1 4.16Å; E381-Y595 WeakPolarHBondContact CG-OH 3.48Å; E381-Y595 WeakPolarHBondContact OE1-CE1 3.21Å; E381-Y595 PolarHBondContact OE1-OH 2.8Å; K412-Y595 HydrophobicContact CD-CD1 4.01Å; K412-Y595 HydrophobicContact CG-CD1 4.34Å; K412-Y595 HydrophobicContact CG-CG 4.47Å; K412-Y595 WeakPolarHBondContact O-CB 3.46Å; V414-Y595 HydrophobicContact CB-CE2 3.99Å; V414-Y595 HydrophobicContact CG1-CE2 3.86Å; Y464-Y595 PolarHBondContact OH-OH 2.95Å; S593-Y595 PolarHBondContact O-N 2.93Å; S593-Y595 VanDerWaalsContact O-N 3.12Å; S593-Y595 PolarHBondContact OG-N 2.74Å; Y595-D597 VanDerWaalsContact C-N 3.33Å; Y595-D597 PolarHBondContact O-N 2.74Å; Y595-E598 PolarHBondContact O-N 2.71Å; Y595-N599 WeakPolarHBondContact O-CB 3.06Å; Y595-N599 VanDerWaalsContact O-CG 3.28Å; Y595-N599 PolarHBondContact O-N 2.76Å; Y595-N599 PolarHBondContact O-ND2 2.97Å
596	L	98.1	Very high	97.1	Very high	14 Å²	14	36.5 Å²	36.5	7%	0.073	19%	0.186	C	C	.	.	H	α-helix	trans	-49.7	-50.2	-177.9	178.3	64.6	0	0	0	112.5	I407 N591 S593 E598 N599 I600 K612 F617	I407-L596 HydrophobicContact CD1-CD1 4.16Å; N591-L596 WeakPolarHBondContact O-CD2 3.3Å; S593-L596 PolarHBondContact O-N 2.04Å; L596-E598 VanDerWaalsContact C-N 3.32Å; L596-E598 PolarHBondContact O-N 3.34Å; L596-N599 WeakPolarHBondContact O-CB 3.35Å; L596-N599 PolarHBondContact O-N 2.93Å; L596-N599 VanDerWaalsContact O-N 3.15Å; L596-I600 HydrophobicContact CD1-CD1 4.08Å; L596-I600 HydrophobicContact CD1-CG1 4.23Å; L596-I600 HydrophobicContact CD2-CD1 4.49Å; L596-I600 HydrophobicContact CG-CD1 3.9Å; L596-I600 HydrophobicContact CG-CG1 4.46Å; L596-I600 WeakPolarHBondContact O-CG1 3.07Å; L596-I600 PolarHBondContact O-N 2.84Å; L596-K612 HydrophobicContact CD2-CD 4.16Å; L596-F617 HydrophobicContact CD1-CE1 4.34Å; L596-F617 HydrophobicContact CD1-CZ 4.19Å
597	D	97.7	Very high	97	Very high	82 Å²	82	38.2 Å²	38.2	44%	0.439	20%	0.197	S	C	.	.	H	α-helix	trans	-64.3	-35.3	-179.3	-75	-35	0	0	0	113.3	Y595 R601 K612	Y595-D597 VanDerWaalsContact C-N 3.33Å; Y595-D597 PolarHBondContact O-N 2.74Å; D597-R601 WeakPolarHBondContact O-CG 3.17Å; D597-R601 PolarHBondContact O-N 3.07Å; D597-R601 PolarHBondContact O-NE 3.29Å; D597-K612 WeakPolarHBondContact OD1-CE 3.31Å; D597-K612 IonicContact OD1-NZ 3.86Å; D597-K612 PolarHBondContact OD1-NZ 2.89Å; D597-K612 IonicContact OD2-NZ 3.9Å
598	E	97.2	Very high	96.9	Very high	68 Å²	68	45.7 Å²	45.7	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-71.1	-39	174.8	-168.6	174.7	170	0	0	110.9	K412 Y595 L596 R601 T602	K412-E598 HydrophobicContact CD-CG 4.21Å; K412-E598 WeakPolarHBondContact CD-OE1 3.44Å; K412-E598 WeakPolarHBondContact CD-OE2 3.34Å; K412-E598 WeakPolarHBondContact CE-OE1 3.21Å; K412-E598 IonicContact NZ-OE1 3.61Å; K412-E598 PolarHBondContact NZ-OE1 2.86Å; K412-E598 IonicContact NZ-OE2 3.76Å; K412-E598 PolarHBondContact NZ-OE2 2.98Å; Y595-E598 PolarHBondContact O-N 2.71Å; L596-E598 VanDerWaalsContact C-N 3.32Å; L596-E598 PolarHBondContact O-N 3.34Å; E598-R601 PolarHBondContact O-N 2.7Å; E598-T602 VanDerWaalsContact O-CB 3.23Å; E598-T602 WeakPolarHBondContact O-CB 3.22Å; E598-T602 PolarHBondContact O-N 2.61Å; E598-T602 PolarHBondContact O-OG1 2.85Å
599	N	98.2	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.5	-45.3	176.8	-71	-28.1	0	0	0	111.7	I407 Y411 K412 Y595 L596 R601 T602 F603	I407-N599 HydrophobicContact CD1-CB 4.03Å; Y411-N599 HydrophobicContact CD1-CB 4.25Å; K412-N599 WeakPolarHBondContact CA-OD1 3.5Å; K412-N599 WeakPolarHBondContact CB-OD1 3.27Å; K412-N599 PolarHBondContact N-OD1 3.08Å; K412-N599 PolarHBondContact O-ND2 3.3Å; K412-N599 VanDerWaalsContact O-ND2 3.17Å; Y595-N599 WeakPolarHBondContact O-CB 3.06Å; Y595-N599 VanDerWaalsContact O-CG 3.28Å; Y595-N599 PolarHBondContact O-N 2.76Å; Y595-N599 PolarHBondContact O-ND2 2.97Å; L596-N599 WeakPolarHBondContact O-CB 3.35Å; L596-N599 PolarHBondContact O-N 2.93Å; L596-N599 VanDerWaalsContact O-N 3.15Å; N599-R601 PolarHBondContact O-N 2.96Å; N599-T602 PolarHBondContact O-N 3.33Å; N599-F603 HydrophobicContact CB-CD2 4.16Å; N599-F603 WeakPolarHBondContact O-CB 3.23Å; N599-F603 WeakPolarHBondContact O-CD2 3.48Å; N599-F603 PolarHBondContact O-N 3.17Å; N599-F603 WeakPolarHBondContact OD1-CE2 3.41Å
600	I	98	Very high	96.6	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.056	26%	0.257	C	S	.	.	H	α-helix	trans	-55	-53.7	174	-70.1	166.5	0	0	0	109.8	I407 L596 T602 T604 P607 V610 K612 F617	I407-I600 HydrophobicContact CD1-CG1 4.08Å; L596-I600 HydrophobicContact CD1-CD1 4.08Å; L596-I600 HydrophobicContact CD1-CG1 4.23Å; L596-I600 HydrophobicContact CD2-CD1 4.49Å; L596-I600 HydrophobicContact CG-CD1 3.9Å; L596-I600 HydrophobicContact CG-CG1 4.46Å; L596-I600 WeakPolarHBondContact O-CG1 3.07Å; L596-I600 PolarHBondContact O-N 2.84Å; I600-T602 VanDerWaalsContact C-N 3.3Å; I600-T602 PolarHBondContact O-N 3.1Å; I600-T604 HydrophobicContact CG2-CG2 4.39Å; I600-T604 WeakPolarHBondContact O-CB 3.16Å; I600-T604 PolarHBondContact O-N 3.38Å; I600-T604 VanDerWaalsContact O-N 3.16Å; I600-T604 PolarHBondContact O-OG1 3.26Å; I600-P607 HydrophobicContact CG2-CB 3.86Å; I600-V610 HydrophobicContact CD1-CG1 4.01Å; I600-V610 HydrophobicContact CG1-CG1 4.36Å; I600-V610 HydrophobicContact CG2-CB 4.15Å; I600-V610 HydrophobicContact CG2-CG1 4.43Å; I600-V610 HydrophobicContact CG2-CG2 3.95Å; I600-K612 HydrophobicContact CD1-CG 4.39Å; I600-F617 HydrophobicContact CD1-CE1 4.35Å; I600-F617 HydrophobicContact CD1-CZ 3.88Å; I600-F617 HydrophobicContact CG1-CZ 3.87Å
601	R	97.2	Very high	96.5	Very high	171 Å²	171	52.3 Å²	52.3	65%	0.645	28%	0.281	S	S	*	.	H	α-helix	trans	-63.2	-33.4	-178.1	-72.7	-176	-64.5	-133	-1.1	113.8	D597 E598 N599	D597-R601 WeakPolarHBondContact O-CG 3.17Å; D597-R601 PolarHBondContact O-N 3.07Å; D597-R601 PolarHBondContact O-NE 3.29Å; E598-R601 PolarHBondContact O-N 2.7Å; N599-R601 PolarHBondContact O-N 2.96Å
602	T	96.6	Very high	96.3	Very high	75 Å²	75	54.8 Å²	54.8	46%	0.46	29%	0.29	S	S	.	.	H	α-helix	trans	-87	-41.1	-173	-56.1	0	0	0	0	112.2	E598 N599 I600	E598-T602 VanDerWaalsContact O-CB 3.23Å; E598-T602 WeakPolarHBondContact O-CB 3.22Å; E598-T602 PolarHBondContact O-N 2.61Å; E598-T602 PolarHBondContact O-OG1 2.85Å; N599-T602 PolarHBondContact O-N 3.33Å; I600-T602 VanDerWaalsContact C-N 3.3Å; I600-T602 PolarHBondContact O-N 3.1Å
603	F	96.8	Very high	96.2	Very high	22 Å²	22	59.4 Å²	59.4	10%	0.096	31%	0.31	C	S	.	.	H	α-helix	trans	-109.8	-23.6	-165.6	-61	-65.3	0	0	0	114	V383 R402 I407 R410 N599	V383-F603 HydrophobicContact CG1-CE1 4.3Å; V383-F603 HydrophobicContact CG1-CZ 3.8Å; V383-F603 HydrophobicContact CG2-CZ 4.1Å; R402-F603 WeakPolarHBondContact CD-O 3.29Å; R402-F603 WeakPolarHBondContact CG-O 3.42Å; R402-F603 PolarHBondContact NE-O 3.39Å; R402-F603 PolarHBondContact NH2-O 3.26Å; I407-F603 HydrophobicContact CG2-CB 3.8Å; I407-F603 HydrophobicContact CG2-CD2 4.31Å; I407-F603 HydrophobicContact CG2-CG 4.37Å; R410-F603 HydrophobicContact CB-CD1 4.31Å; R410-F603 HydrophobicContact CB-CE1 4.12Å; R410-F603 WeakPolarHBondContact O-CD2 3.19Å; R410-F603 WeakPolarHBondContact O-CE2 3.48Å; R410-F603 WeakPolarHBondContact O-CG 3.45Å; N599-F603 HydrophobicContact CB-CD2 4.16Å; N599-F603 WeakPolarHBondContact O-CB 3.23Å; N599-F603 WeakPolarHBondContact O-CD2 3.48Å; N599-F603 PolarHBondContact O-N 3.17Å; N599-F603 WeakPolarHBondContact OD1-CE2 3.41Å
604	T	96.1	Very high	96.1	Very high	7 Å²	7	62.9 Å²	62.9	4%	0.043	33%	0.329	C	S	.	.			trans	-75.1	157.6	172.3	68.5	0	0	0	0	111.4	I407 I600 P607 V610	I407-T604 HydrophobicContact CG1-CG2 3.82Å; I600-T604 HydrophobicContact CG2-CG2 4.39Å; I600-T604 WeakPolarHBondContact O-CB 3.16Å; I600-T604 PolarHBondContact O-N 3.38Å; I600-T604 VanDerWaalsContact O-N 3.16Å; I600-T604 PolarHBondContact O-OG1 3.26Å; T604-P607 WeakPolarHBondContact OG1-CA 3.38Å; T604-P607 WeakPolarHBondContact OG1-CB 3.28Å; T604-V610 HydrophobicContact CG2-CG2 4.11Å
605	T	94.6	Very high	95.9	Very high	92 Å²	92	67.8 Å²	67.8	56%	0.564	35%	0.354	S	S	*	.	S	Bend	trans	-90	-16.7	174.5	63.3	0	0	0	0	113.2	G403 P404	G403-T605 PolarHBondContact O-N 2.71Å; G403-T605 PolarHBondContact O-OG1 3.19Å; P404-T605 WeakPolarHBondContact CA-OG1 3.46Å
606	A	95.2	Very high	95.6	Very high	34 Å²	34	72.6 Å²	72.6	28%	0.281	38%	0.38	S	S	.	.			trans	-139	72.6	175.9	0	0	0	0	0	111.3	P404 N608 S609	P404-A606 HydrophobicContact CB-CB 4.07Å; P404-A606 CarbonylContact O-C 3.53Å; P404-A606 PolarHBondContact O-N 2.91Å; P404-A606 VanDerWaalsContact O-N 3.09Å; A606-N608 PolarHBondContact O-N 3.37Å; A606-N608 VanDerWaalsContact O-N 3.12Å; A606-S609 VanDerWaalsContact CB-OG 3.25Å; A606-S609 WeakPolarHBondContact CB-OG 3.39Å; A606-S609 PolarHBondContact O-N 2.69Å; A606-S609 PolarHBondContact O-OG 3.26Å
607	P	93.6	Very high	95.6	Very high	42 Å²	42	72.2 Å²	72.2	27%	0.273	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-60.2	-30.5	-171.8	21.7	-33.7	0	0	0	114.2	I600 T604 S609 V610	I600-P607 HydrophobicContact CG2-CB 3.86Å; T604-P607 WeakPolarHBondContact OG1-CA 3.38Å; T604-P607 WeakPolarHBondContact OG1-CB 3.28Å; P607-S609 PolarHBondContact O-N 2.76Å; P607-V610 PolarHBondContact O-N 2.87Å
608	N	94.4	Very high	95.5	Very high	170 Å²	170	70.9 Å²	70.9	91%	0.909	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-74.5	-11.2	-179.8	-62.3	-21.1	0	0	0	113.6	A606	A606-N608 PolarHBondContact O-N 3.37Å; A606-N608 VanDerWaalsContact O-N 3.12Å
609	S	94.2	Very high	95.4	Very high	61 Å²	61	71 Å²	71	43%	0.427	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-95.7	-1.6	175	53.7	0	0	0	0	113.8	A606 P607	A606-S609 VanDerWaalsContact CB-OG 3.25Å; A606-S609 WeakPolarHBondContact CB-OG 3.39Å; A606-S609 PolarHBondContact O-N 2.69Å; A606-S609 PolarHBondContact O-OG 3.26Å; P607-S609 PolarHBondContact O-N 2.76Å
610	V	94.8	Very high	95.4	Very high	25 Å²	25	71.1 Å²	71.1	15%	0.152	37%	0.372	C	S	.	.			trans	-74.5	128.2	178.5	175.8	0	0	0	0	109.7	I600 T604 P607 F617	I600-V610 HydrophobicContact CD1-CG1 4.01Å; I600-V610 HydrophobicContact CG1-CG1 4.36Å; I600-V610 HydrophobicContact CG2-CB 4.15Å; I600-V610 HydrophobicContact CG2-CG1 4.43Å; I600-V610 HydrophobicContact CG2-CG2 3.95Å; T604-V610 HydrophobicContact CG2-CG2 4.11Å; P607-V610 PolarHBondContact O-N 2.87Å; V610-F617 HydrophobicContact CG1-CD1 4.21Å; V610-F617 HydrophobicContact CG1-CD2 3.98Å; V610-F617 HydrophobicContact CG1-CE1 3.89Å; V610-F617 HydrophobicContact CG1-CE2 3.63Å; V610-F617 HydrophobicContact CG1-CG 4.23Å; V610-F617 HydrophobicContact CG1-CZ 3.58Å
611	T	95.3	Very high	95.4	Very high	82 Å²	82	70.6 Å²	70.6	50%	0.503	37%	0.369	S	S	.	.			trans	-109.1	121	169.1	-54.2	0	0	0	0	106.6	E613 N614	T611-E613 VanDerWaalsContact C-N 3.29Å; T611-E613 WeakPolarHBondContact CG2-OE2 3.27Å; T611-E613 PolarHBondContact O-N 3.19Å; T611-N614 HydrophobicContact CG2-CB 4.47Å; T611-N614 WeakPolarHBondContact O-CB 3.43Å; T611-N614 PolarHBondContact O-N 3.49Å
612	K	95.4	Very high	95.4	Very high	80 Å²	80	65.4 Å²	65.4	35%	0.348	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-25.6	-172	-68.2	-178.5	-179.2	179	0	112.3	L596 D597 I600 N614 F617 I618	L596-K612 HydrophobicContact CD2-CD 4.16Å; D597-K612 WeakPolarHBondContact OD1-CE 3.31Å; D597-K612 IonicContact OD1-NZ 3.86Å; D597-K612 PolarHBondContact OD1-NZ 2.89Å; D597-K612 IonicContact OD2-NZ 3.9Å; I600-K612 HydrophobicContact CD1-CG 4.39Å; K612-N614 VanDerWaalsContact C-N 3.26Å; K612-F617 HydrophobicContact CG-CE1 4.47Å; K612-I618 VanDerWaalsContact O-CG1 3.25Å; K612-I618 WeakPolarHBondContact O-CG1 3.2Å
613	E	93.8	Very high	95.4	Very high	148 Å²	148	61.9 Å²	61.9	69%	0.692	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-2.4	-179	-54	73.8	-161.8	0	0	112	T611 E615	T611-E613 VanDerWaalsContact C-N 3.29Å; T611-E613 WeakPolarHBondContact CG2-OE2 3.27Å; T611-E613 PolarHBondContact O-N 3.19Å; E613-E615 PolarHBondContact O-N 3.38Å
614	N	95.1	Very high	95.4	Very high	73 Å²	73	61.3 Å²	61.3	39%	0.39	33%	0.327	S	S	.	.			trans	-76	124.4	177.2	173.9	-105.3	0	0	0	110.2	T611 K612 D616 F617 I618	T611-N614 HydrophobicContact CG2-CB 4.47Å; T611-N614 WeakPolarHBondContact O-CB 3.43Å; T611-N614 PolarHBondContact O-N 3.49Å; K612-N614 VanDerWaalsContact C-N 3.26Å; N614-D616 PolarHBondContact O-N 2.87Å; N614-D616 WeakPolarHBondContact OD1-CB 3.46Å; N614-D616 PolarHBondContact OD1-N 3.46Å; N614-F617 HydrophobicContact CB-CB 4.21Å; N614-F617 WeakPolarHBondContact O-CA 3.03Å; N614-F617 WeakPolarHBondContact O-CB 3.31Å; N614-F617 PolarHBondContact O-N 3.01Å; N614-F617 PolarHBondContact OD1-N 3.15Å; N614-F617 VanDerWaalsContact OD1-N 3.14Å; N614-I618 PolarHBondContact O-N 2.89Å
615	E	93.1	Very high	95.5	Very high	161 Å²	161	61 Å²	61	75%	0.752	33%	0.325	S	S	*	.	H	α-helix	trans	-56	-44.6	-177.4	-67.6	174.5	-176.7	0	0	113.1	E613 F617 I618 E619	E613-E615 PolarHBondContact O-N 3.38Å; E615-F617 PolarHBondContact O-N 2.73Å; E615-I618 PolarHBondContact O-N 3.21Å; E615-E619 WeakPolarHBondContact O-CB 3.18Å; E615-E619 PolarHBondContact O-N 3.02Å
616	D	93.4	Very high	95.7	Very high	106 Å²	106	56.7 Å²	56.7	57%	0.567	30%	0.299	S	S	*	.	H	α-helix	trans	-61.1	-32.9	177.5	-68.2	-35.1	0	0	0	112.5	N614 S620	N614-D616 PolarHBondContact O-N 2.87Å; N614-D616 WeakPolarHBondContact OD1-CB 3.46Å; N614-D616 PolarHBondContact OD1-N 3.46Å; D616-S620 VanDerWaalsContact O-CB 3.31Å; D616-S620 WeakPolarHBondContact O-CB 3.44Å; D616-S620 PolarHBondContact O-N 3.04Å; D616-S620 VanDerWaalsContact O-N 3.12Å; D616-S620 PolarHBondContact O-OG 3.42Å
617	F	96.5	Very high	95.8	Very high	6 Å²	6	55 Å²	55	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-72.2	-47.7	175.6	178	-105.1	0	0	0	111	T405 I407 L596 I600 V610 K612 N614 E615 E619 S620 N621	T405-F617 WeakPolarHBondContact O-CD2 3.5Å; T405-F617 WeakPolarHBondContact O-CE2 3.21Å; I407-F617 HydrophobicContact CD1-CE2 4.35Å; I407-F617 HydrophobicContact CD1-CZ 4.19Å; I407-F617 HydrophobicContact CG1-CE2 4.47Å; L596-F617 HydrophobicContact CD1-CE1 4.34Å; L596-F617 HydrophobicContact CD1-CZ 4.19Å; I600-F617 HydrophobicContact CD1-CE1 4.35Å; I600-F617 HydrophobicContact CD1-CZ 3.88Å; I600-F617 HydrophobicContact CG1-CZ 3.87Å; V610-F617 HydrophobicContact CG1-CD1 4.21Å; V610-F617 HydrophobicContact CG1-CD2 3.98Å; V610-F617 HydrophobicContact CG1-CE1 3.89Å; V610-F617 HydrophobicContact CG1-CE2 3.63Å; V610-F617 HydrophobicContact CG1-CG 4.23Å; V610-F617 HydrophobicContact CG1-CZ 3.58Å; K612-F617 HydrophobicContact CG-CE1 4.47Å; N614-F617 HydrophobicContact CB-CB 4.21Å; N614-F617 WeakPolarHBondContact O-CA 3.03Å; N614-F617 WeakPolarHBondContact O-CB 3.31Å; N614-F617 PolarHBondContact O-N 3.01Å; N614-F617 PolarHBondContact OD1-N 3.15Å; N614-F617 VanDerWaalsContact OD1-N 3.14Å; E615-F617 PolarHBondContact O-N 2.73Å; F617-E619 VanDerWaalsContact C-N 3.32Å; F617-E619 PolarHBondContact O-N 3.06Å; F617-S620 PolarHBondContact O-N 2.87Å; F617-S620 PolarHBondContact O-OG 3.29Å; F617-N621 WeakPolarHBondContact CE1-ND2 3.27Å; F617-N621 WeakPolarHBondContact CE2-ND2 3.43Å; F617-N621 WeakPolarHBondContact CZ-ND2 3.39Å; F617-N621 PolarHBondContact O-N 2.68Å; F617-N621 PolarHBondContact O-ND2 3.14Å
618	I	96.6	Very high	96	Very high	54 Å²	54	53 Å²	53	28%	0.277	27%	0.272	S	S	.	.	H	α-helix	trans	-55.4	-51.1	177.3	-68	169.7	0	0	0	109.7	N591 K612 N614 E615 S620 N621 K622	N591-I618 PolarHBondContact ND2-O 3.36Å; K612-I618 VanDerWaalsContact O-CG1 3.25Å; K612-I618 WeakPolarHBondContact O-CG1 3.2Å; N614-I618 PolarHBondContact O-N 2.89Å; E615-I618 PolarHBondContact O-N 3.21Å; I618-S620 PolarHBondContact O-N 2.82Å; I618-N621 PolarHBondContact O-N 2.85Å; I618-N621 VanDerWaalsContact O-N 3.12Å; I618-K622 PolarHBondContact O-N 3.05Å
619	E	95.6	Very high	96.2	Very high	72 Å²	72	46 Å²	46	34%	0.336	23%	0.234	S	C	.	.	H	α-helix	trans	-62.1	-41.2	-179.6	-174.3	58	-158.8	0	0	112.1	T398 F399 E615 F617 N621 K622	T398-E619 HydrophobicContact CG2-CG 4.38Å; F399-E619 HydrophobicContact CE1-CG 4.4Å; F399-E619 WeakPolarHBondContact CE1-O 3.3Å; E615-E619 WeakPolarHBondContact O-CB 3.18Å; E615-E619 PolarHBondContact O-N 3.02Å; F617-E619 VanDerWaalsContact C-N 3.32Å; F617-E619 PolarHBondContact O-N 3.06Å; E619-N621 PolarHBondContact O-N 3.32Å; E619-K622 PolarHBondContact O-N 3.26Å; E619-K622 VanDerWaalsContact O-N 3.09Å
620	S	96.6	Very high	96.3	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-16.9	177.7	74.3	0	0	0	0	114.5	T398 D616 F617 I618	T398-S620 VanDerWaalsContact O-CB 3.29Å; T398-S620 WeakPolarHBondContact O-CB 2.93Å; D616-S620 VanDerWaalsContact O-CB 3.31Å; D616-S620 WeakPolarHBondContact O-CB 3.44Å; D616-S620 PolarHBondContact O-N 3.04Å; D616-S620 VanDerWaalsContact O-N 3.12Å; D616-S620 PolarHBondContact O-OG 3.42Å; F617-S620 PolarHBondContact O-N 2.87Å; F617-S620 PolarHBondContact O-OG 3.29Å; I618-S620 PolarHBondContact O-N 2.82Å
621	N	97.8	Very high	96.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	1.2	-178.4	-61.8	-34.5	0	0	0	113.2	Y411 E590 N591 F617 I618 E619 M623	Y411-N621 PolarHBondContact OH-OD1 2.96Å; Y411-N621 VanDerWaalsContact OH-OD1 3.04Å; E590-N621 HydrophobicContact CB-CB 4.16Å; E590-N621 PolarHBondContact N-O 3.1Å; N591-N621 WeakPolarHBondContact OD1-CB 3.38Å; N591-N621 PolarHBondContact OD1-ND2 2.69Å; F617-N621 WeakPolarHBondContact CE1-ND2 3.27Å; F617-N621 WeakPolarHBondContact CE2-ND2 3.43Å; F617-N621 WeakPolarHBondContact CZ-ND2 3.39Å; F617-N621 PolarHBondContact O-N 2.68Å; F617-N621 PolarHBondContact O-ND2 3.14Å; I618-N621 PolarHBondContact O-N 2.85Å; I618-N621 VanDerWaalsContact O-N 3.12Å; E619-N621 PolarHBondContact O-N 3.32Å; N621-M623 PolarHBondContact O-N 2.8Å
622	K	97.2	Very high	96.3	Very high	62 Å²	62	42.4 Å²	42.4	27%	0.27	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	98.9	172.5	-73.2	-175.6	179.4	179.8	0	109.6	F399 V587 I618 E619 H624	F399-K622 WeakPolarHBondContact CD1-O 3.32Å; V587-K622 HydrophobicContact CG1-CB 3.72Å; V587-K622 HydrophobicContact CG1-CD 4.5Å; V587-K622 HydrophobicContact CG1-CG 4.18Å; I618-K622 PolarHBondContact O-N 3.05Å; E619-K622 PolarHBondContact O-N 3.26Å; E619-K622 VanDerWaalsContact O-N 3.09Å; K622-H624 PolarHBondContact O-CD2 3.2Å; K622-H624 VanDerWaalsContact O-CD2 3.25Å; K622-H624 PolarHBondContact O-N 2.99Å
623	M	97.5	Very high	96.3	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	100.8	-173.8	-56.2	-59.4	-73	0	0	111.3	Y386 F399 Y411 F588 N621 A625 V630	Y386-M623 VanDerWaalsContact CB-CE 3.46Å; Y386-M623 HydrophobicContact CD1-CB 3.76Å; Y386-M623 HydrophobicContact CD1-CE 4.21Å; Y386-M623 HydrophobicContact CD1-CG 4.2Å; Y386-M623 HydrophobicContact CD2-CB 4.49Å; Y386-M623 HydrophobicContact CD2-CE 3.88Å; Y386-M623 HydrophobicContact CD2-CG 4.04Å; Y386-M623 HydrophobicContact CE1-CB 3.59Å; Y386-M623 HydrophobicContact CE1-CG 4.11Å; Y386-M623 HydrophobicContact CE2-CB 4.35Å; Y386-M623 HydrophobicContact CE2-CG 3.94Å; Y386-M623 HydrophobicContact CG-CB 4.23Å; Y386-M623 HydrophobicContact CG-CE 3.61Å; Y386-M623 HydrophobicContact CG-CG 4.18Å; F399-M623 HydrophobicContact CB-CE 4.5Å; F399-M623 HydrophobicContact CB-SD 4.2Å; Y411-M623 HydrophobicContact CE2-CG 4.3Å; Y411-M623 HydrophobicContact CE2-SD 4.25Å; F588-M623 HydrophobicContact CB-CB 4.17Å; F588-M623 PolarHBondContact N-O 2.82Å; F588-M623 PolarHBondContact O-N 2.86Å; N621-M623 PolarHBondContact O-N 2.8Å; M623-A625 PolarHBondContact O-N 3.16Å; M623-V630 HydrophobicContact CE-CG1 4.4Å; M623-V630 HydrophobicContact CE-CG2 4.41Å
624	H	97.3	Very high	96.5	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.046	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	86.4	-176.1	-62.8	-157.7	0	0	0	110.5	K622 V630 D706 H707 G711 M712	K622-H624 PolarHBondContact O-CD2 3.2Å; K622-H624 VanDerWaalsContact O-CD2 3.25Å; K622-H624 PolarHBondContact O-N 2.99Å; H624-V630 WeakPolarHBondContact O-CG1 2.97Å; H624-D706 PolarHBondContact ND1-O 2.81Å; H624-H707 WeakPolarHBondContact ND1-CA 3.43Å; H624-H707 AromaticContact ND1-ND1 3.87Å; H624-G711 CarbonylContact O-C 3.5Å; H624-M712 HydrophobicContact CB-CB 4.2Å; H624-M712 HydrophobicContact CB-CE 4.17Å; H624-M712 WeakPolarHBondContact O-CA 3.41Å; H624-M712 WeakPolarHBondContact O-CB 3.37Å; H624-M712 PolarHBondContact O-N 3.47Å; H624-M712 VanDerWaalsContact O-N 3.13Å
625	A	97.3	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	153.1	-159.5	0	0	0	0	0	114.4	Y386 A585 T586 F588 M623 F629 V630	Y386-A625 HydrophobicContact CD1-CB 4.11Å; Y386-A625 HydrophobicContact CE1-CB 4.16Å; A585-A625 WeakPolarHBondContact CA-O 3.35Å; T586-A625 PolarHBondContact N-O 3.4Å; T586-A625 VanDerWaalsContact N-O 3.13Å; T586-A625 PolarHBondContact O-N 2.86Å; F588-A625 HydrophobicContact CD2-CB 4.08Å; M623-A625 PolarHBondContact O-N 3.16Å; A625-F629 WeakPolarHBondContact CA-O 3Å; A625-V630 HydrophobicContact CB-CG1 3.89Å
626	I	98.4	Very high	96.6	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.9	165.6	-55	178.7	0	0	0	107.9	L583 M584 A585 G628 F629 L634 L661 V700 M712 A714	L583-I626 HydrophobicContact CB-CG2 4.18Å; L583-I626 HydrophobicContact CD2-CG2 3.89Å; L583-I626 HydrophobicContact CG-CG2 4.46Å; M584-I626 WeakPolarHBondContact O-CA 3.4Å; A585-I626 HydrophobicContact CB-CG1 4.37Å; I626-G628 PolarHBondContact O-N 3Å; I626-G628 VanDerWaalsContact O-N 3.14Å; I626-F629 PolarHBondContact N-O 3.32Å; I626-F629 PolarHBondContact O-N 3.31Å; I626-L634 HydrophobicContact CB-CD2 4.34Å; I626-L634 HydrophobicContact CG2-CD2 3.78Å; I626-L661 HydrophobicContact CD1-CD2 4.36Å; I626-V700 HydrophobicContact CD1-CG1 4.42Å; I626-M712 HydrophobicContact CD1-CG 4.22Å; I626-M712 HydrophobicContact CG1-CG 3.69Å; I626-A714 HydrophobicContact CD1-CB 4.14Å
627	N	98.1	Very high	96.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	30.8	-174.7	-61.7	-11.3	0	0	0	113.9	H436 I439 L440 H582 L583 M584 L634	H436-N627 PolarHBondContact O-ND2 3.32Å; I439-N627 WeakPolarHBondContact CG2-O 3.33Å; I439-N627 PolarHBondContact N-O 3.18Å; L440-N627 WeakPolarHBondContact CD1-OD1 3.43Å; H582-N627 PolarHBondContact O-ND2 2.88Å; L583-N627 WeakPolarHBondContact CA-OD1 3.27Å; M584-N627 PolarHBondContact N-OD1 3.25Å; M584-N627 PolarHBondContact O-N 3.3Å; M584-N627 PolarHBondContact O-OD1 3.42Å; N627-L634 HydrophobicContact CB-CD1 3.89Å
628	G	97.3	Very high	96.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	11.4	-178	0	0	0	0	0	114.7	W384 Y386 I626	W384-G628 PolarHBondContact NE1-O 2.87Å; Y386-G628 WeakPolarHBondContact CA-O 3.09Å; Y386-G628 WeakPolarHBondContact CD1-O 3.24Å; I626-G628 PolarHBondContact O-N 3Å; I626-G628 VanDerWaalsContact O-N 3.14Å
629	F	98.3	Very high	96.6	Very high	22 Å²	22	20.3 Å²	20.3	10%	0.096	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-115.2	144.4	174.1	-66.4	-75.6	0	0	0	112.3	W384 Y386 P388 A625 I626 N633 L634	W384-F629 HydrophobicContact CH2-CE1 4.4Å; W384-F629 AromaticContact CH2-CE2 3.88Å; W384-F629 HydrophobicContact CH2-CE2 3.88Å; W384-F629 AromaticContact CH2-CZ 3.65Å; W384-F629 HydrophobicContact CH2-CZ 3.65Å; W384-F629 HydrophobicContact CZ2-CD1 4.48Å; W384-F629 HydrophobicContact CZ2-CD2 4.2Å; W384-F629 AromaticContact CZ2-CE1 3.96Å; W384-F629 HydrophobicContact CZ2-CE1 3.96Å; W384-F629 AromaticContact CZ2-CE2 3.69Å; W384-F629 HydrophobicContact CZ2-CE2 3.69Å; W384-F629 AromaticContact CZ2-CZ 3.55Å; W384-F629 HydrophobicContact CZ2-CZ 3.55Å; Y386-F629 WeakPolarHBondContact O-CA 3.33Å; P388-F629 HydrophobicContact CG-CD1 4.37Å; P388-F629 HydrophobicContact CG-CE1 3.9Å; A625-F629 WeakPolarHBondContact CA-O 3Å; I626-F629 PolarHBondContact N-O 3.32Å; I626-F629 PolarHBondContact O-N 3.31Å; F629-N633 HydrophobicContact CB-CB 4.13Å; F629-N633 HydrophobicContact CD1-CB 3.94Å; F629-N633 HydrophobicContact CG-CB 4.38Å; F629-L634 HydrophobicContact CB-CB 4.12Å; F629-L634 HydrophobicContact CD2-CB 4.35Å; F629-L634 HydrophobicContact CD2-CD1 3.59Å; F629-L634 HydrophobicContact CE2-CD1 4.16Å
630	V	96.8	Very high	96.6	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.098	C	C	.	.			trans	-117.1	159.8	176.2	-58	0	0	0	0	111	Y386 A387 V400 M623 H624 A625 R632 N633 G711	Y386-V630 HydrophobicContact CD1-CG1 4.39Å; Y386-V630 PolarHBondContact O-N 2.82Å; A387-V630 HydrophobicContact CB-CG2 3.86Å; V400-V630 HydrophobicContact CG1-CG2 4.14Å; M623-V630 HydrophobicContact CE-CG1 4.4Å; M623-V630 HydrophobicContact CE-CG2 4.41Å; H624-V630 WeakPolarHBondContact O-CG1 2.97Å; A625-V630 HydrophobicContact CB-CG1 3.89Å; V630-R632 PolarHBondContact O-N 3.48Å; V630-N633 WeakPolarHBondContact O-CB 3.45Å; V630-N633 PolarHBondContact O-N 2.73Å; V630-N633 PolarHBondContact O-ND2 2.89Å; V630-G711 CarbonylContact C-O 3.52Å
631	Y	95.1	Very high	96.4	Very high	9 Å²	9	19.4 Å²	19.4	4%	0.035	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	54.3	172.9	-60.9	-78.9	0	0	0	114.1	P391 A396 F399 V400 N633 R709 G710 G711	P391-Y631 HydrophobicContact CB-CD1 4.42Å; P391-Y631 HydrophobicContact CB-CD2 4.28Å; P391-Y631 HydrophobicContact CB-CG 3.92Å; P391-Y631 HydrophobicContact CG-CD2 4.25Å; P391-Y631 HydrophobicContact CG-CG 4.4Å; A396-Y631 WeakPolarHBondContact CA-OH 3.45Å; A396-Y631 HydrophobicContact CB-CD1 4.23Å; A396-Y631 HydrophobicContact CB-CD2 3.89Å; A396-Y631 HydrophobicContact CB-CE1 3.87Å; A396-Y631 HydrophobicContact CB-CE2 3.5Å; A396-Y631 HydrophobicContact CB-CG 4.26Å; F399-Y631 WeakPolarHBondContact CD2-OH 3.46Å; V400-Y631 HydrophobicContact CG1-CD2 4.48Å; Y631-N633 VanDerWaalsContact C-N 3.28Å; Y631-N633 PolarHBondContact O-N 3.41Å; Y631-N633 PolarHBondContact O-ND2 3.47Å; Y631-R709 PolarHBondContact OH-O 3.4Å; Y631-G710 WeakPolarHBondContact CE2-O 3.46Å; Y631-G710 PolarHBondContact OH-O 3.13Å; Y631-G711 PolarHBondContact N-O 2.92Å
632	R	95.1	Very high	96	Very high	83 Å²	83	21.1 Å²	21.1	31%	0.313	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	20	174.5	-57.6	172.7	-88.3	-127.9	6.7	115.9	E393 V630 L634 E699 R713 N715	E393-R632 IonicContact OE1-CZ 3.3Å; E393-R632 IonicContact OE1-NE 2.67Å; E393-R632 IonicContact OE1-NH2 3.25Å; E393-R632 PolarHBondContact OE1-NH2 3.26Å; E393-R632 IonicContact OE2-NH2 3.96Å; V630-R632 PolarHBondContact O-N 3.48Å; R632-L634 VanDerWaalsContact C-N 3.35Å; R632-E699 WeakPolarHBondContact CD-OE1 3.19Å; R632-E699 IonicContact CZ-OE1 3.71Å; R632-E699 IonicContact NE-OE1 3.79Å; R632-E699 IonicContact NH1-OE1 2.75Å; R632-E699 PolarHBondContact NH1-OE1 2.79Å; R632-R713 WeakPolarHBondContact CA-O 3.34Å; R632-R713 HydrophobicContact CG-CB 4.44Å; R632-R713 PolarHBondContact N-O 3.4Å; R632-N715 WeakPolarHBondContact CD-OD1 3.4Å
633	N	96	Very high	95.9	Very high	25 Å²	25	19.3 Å²	19.3	13%	0.134	11%	0.114	C	C	.	.			trans	-79.5	-10.9	177.2	-81.7	-83.9	0	0	0	114.7	T389 F629 V630 Y631 P635	T389-N633 WeakPolarHBondContact CA-OD1 3.34Å; T389-N633 VanDerWaalsContact CB-OD1 3.24Å; T389-N633 WeakPolarHBondContact CB-OD1 3.33Å; T389-N633 PolarHBondContact N-OD1 3.06Å; T389-N633 PolarHBondContact O-ND2 3.29Å; T389-N633 PolarHBondContact O-OD1 2.8Å; T389-N633 PolarHBondContact OG1-OD1 3.09Å; F629-N633 HydrophobicContact CB-CB 4.13Å; F629-N633 HydrophobicContact CD1-CB 3.94Å; F629-N633 HydrophobicContact CG-CB 4.38Å; V630-N633 WeakPolarHBondContact O-CB 3.45Å; V630-N633 PolarHBondContact O-N 2.73Å; V630-N633 PolarHBondContact O-ND2 2.89Å; Y631-N633 VanDerWaalsContact C-N 3.28Å; Y631-N633 PolarHBondContact O-N 3.41Å; Y631-N633 PolarHBondContact O-ND2 3.47Å; N633-P635 VanDerWaalsContact O-CD 3.23Å; N633-P635 WeakPolarHBondContact O-CD 3.4Å
634	L	97.1	Very high	95.7	Very high	10 Å²	10	24.8 Å²	24.8	5%	0.052	14%	0.138	C	C	.	.			trans	-66.2	117.8	-177.9	-179.1	63.2	0	0	0	112.1	H436 L583 I626 N627 F629 R632 L637 A714	H436-L634 WeakPolarHBondContact O-CD1 3.17Å; L583-L634 HydrophobicContact CD2-CD2 3.95Å; I626-L634 HydrophobicContact CB-CD2 4.34Å; I626-L634 HydrophobicContact CG2-CD2 3.78Å; N627-L634 HydrophobicContact CB-CD1 3.89Å; F629-L634 HydrophobicContact CB-CB 4.12Å; F629-L634 HydrophobicContact CD2-CB 4.35Å; F629-L634 HydrophobicContact CD2-CD1 3.59Å; F629-L634 HydrophobicContact CE2-CD1 4.16Å; R632-L634 VanDerWaalsContact C-N 3.35Å; L634-L637 HydrophobicContact CD2-CD1 3.76Å; L634-L637 HydrophobicContact CD2-CG 4.33Å; L634-L637 HydrophobicContact CG-CD1 4.37Å; L634-A714 HydrophobicContact CB-CB 3.76Å; L634-A714 HydrophobicContact CD2-CB 3.59Å; L634-A714 HydrophobicContact CG-CB 4.22Å
635	P	95.6	Very high	95.6	Very high	40 Å²	40	24.3 Å²	24.3	26%	0.26	14%	0.136	S	C	.	.			trans	-88.5	172.1	177.9	36.1	-37.6	0	0	0	113.1	Q435 H436 N633 L637	Q435-P635 HydrophobicContact CG-CB 4.21Å; Q435-P635 HydrophobicContact CG-CG 3.84Å; H436-P635 WeakPolarHBondContact CA-O 3.46Å; H436-P635 WeakPolarHBondContact CB-O 3.22Å; N633-P635 VanDerWaalsContact O-CD 3.23Å; N633-P635 WeakPolarHBondContact O-CD 3.4Å; P635-L637 PolarHBondContact O-N 3.46Å
636	G	94.3	Very high	95.6	Very high	26 Å²	26	24.3 Å²	24.3	27%	0.268	14%	0.136	S	C	.	.			trans	86.4	-0	162.5	0	0	0	0	0	116.7	T638	G636-T638 PolarHBondContact O-N 3.09Å; G636-T638 VanDerWaalsContact O-N 3.15Å
637	L	96.7	Very high	95.6	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	14%	0.136	C	C	.	.			trans	-87.6	73.6	177.7	-59.8	-175.9	0	0	0	112	H436 F581 L583 L634 P635 W647 V700 A714 Y716 T717	H436-L637 HydrophobicContact CB-CD2 3.74Å; H436-L637 HydrophobicContact CB-CG 4.4Å; F581-L637 HydrophobicContact CB-CD2 4.33Å; F581-L637 HydrophobicContact CD1-CD2 3.56Å; F581-L637 HydrophobicContact CE1-CD2 4.06Å; F581-L637 HydrophobicContact CG-CD2 4Å; L583-L637 HydrophobicContact CD2-CD1 4.24Å; L583-L637 HydrophobicContact CD2-CD2 4.24Å; L634-L637 HydrophobicContact CD2-CD1 3.76Å; L634-L637 HydrophobicContact CD2-CG 4.33Å; L634-L637 HydrophobicContact CG-CD1 4.37Å; P635-L637 PolarHBondContact O-N 3.46Å; L637-W647 HydrophobicContact CD1-CH2 4.48Å; L637-W647 HydrophobicContact CD1-CZ3 4.4Å; L637-W647 HydrophobicContact CD2-CH2 4.26Å; L637-W647 HydrophobicContact CD2-CZ3 3.96Å; L637-V700 HydrophobicContact CD1-CG1 4.43Å; L637-A714 HydrophobicContact CD1-CB 4.25Å; L637-Y716 WeakPolarHBondContact O-CA 3.5Å; L637-T717 PolarHBondContact O-N 3.34Å
638	T	96.1	Very high	95.6	Very high	56 Å²	56	24.5 Å²	24.5	34%	0.344	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.2	178.5	-60.8	0	0	0	0	111.7	G636 Q719	G636-T638 PolarHBondContact O-N 3.09Å; G636-T638 VanDerWaalsContact O-N 3.15Å; T638-Q719 HydrophobicContact CG2-CG 4.08Å
639	M	95.6	Very high	95.6	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	166.7	178	66.3	-163.2	77.4	0	0	111.6	K579 F581 T645 W647 P692 Y716 T717 V718 Q719	K579-M639 HydrophobicContact CG-CB 4.15Å; F581-M639 HydrophobicContact CD2-CE 3.92Å; F581-M639 HydrophobicContact CE2-CB 4.38Å; F581-M639 HydrophobicContact CE2-CE 3.25Å; F581-M639 HydrophobicContact CE2-SD 4.35Å; F581-M639 HydrophobicContact CZ-CE 3.95Å; M639-T645 HydrophobicContact CB-CG2 4.15Å; M639-T645 HydrophobicContact CG-CG2 4.46Å; M639-T645 HydrophobicContact SD-CG2 3.69Å; M639-W647 HydrophobicContact CE-CH2 3.85Å; M639-W647 HydrophobicContact CE-CZ2 3.27Å; M639-W647 HydrophobicContact SD-CZ2 4.41Å; M639-P692 HydrophobicContact CG-CG 4.05Å; M639-P692 HydrophobicContact SD-CB 4.34Å; M639-P692 HydrophobicContact SD-CG 3.8Å; M639-Y716 HydrophobicContact CE-CD2 4.15Å; M639-T717 PolarHBondContact N-O 3.39Å; M639-V718 HydrophobicContact CG-CG2 4.14Å; M639-V718 WeakPolarHBondContact O-CA 3.21Å; M639-Q719 PolarHBondContact O-N 2.95Å
640	C	94.3	Very high	95.6	Very high	28 Å²	28	23.9 Å²	23.9	19%	0.189	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	150.2	174.6	-61	0	0	0	0	111.1	G642 D643 P692 C721	C640-G642 PolarHBondContact O-N 3.19Å; C640-D643 WeakPolarHBondContact CB-OD2 3.23Å; C640-D643 PolarHBondContact N-OD2 3.33Å; C640-D643 VanDerWaalsContact O-CB 3.31Å; C640-D643 WeakPolarHBondContact O-CB 3.41Å; C640-D643 PolarHBondContact O-N 3.02Å; C640-D643 VanDerWaalsContact O-N 3.1Å; C640-P692 WeakPolarHBondContact O-CG 3.48Å; C640-C721 HydrophobicContact CB-CB 3.54Å; C640-C721 WeakPolarHBondContact CB-SG 3.46Å; C640-C721 WeakPolarHBondContact SG-CB 3.28Å; C640-C721 CovalentContact SG-SG 2.02Å; C640-C721 PolarHBondContact SG-SG 3.26Å
641	K	91.9	Very high	95.5	Very high	27 Å²	27	23.8 Å²	23.8	12%	0.117	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	132	168	177.4	172.9	178.9	158.6	0	110.2	D643 D693 M695 V718 Q719 Q725 R726	K641-D643 VanDerWaalsContact C-N 3.25Å; K641-D643 PolarHBondContact O-N 3.19Å; K641-D693 WeakPolarHBondContact CE-O 3.32Å; K641-D693 PolarHBondContact NZ-O 2.87Å; K641-M695 HydrophobicContact CB-CG 3.96Å; K641-M695 HydrophobicContact CB-SD 4.38Å; K641-M695 HydrophobicContact CD-CE 4.49Å; K641-M695 HydrophobicContact CD-CG 3.7Å; K641-M695 HydrophobicContact CD-SD 3.94Å; K641-M695 HydrophobicContact CG-CG 4.35Å; K641-V718 HydrophobicContact CB-CG1 4.04Å; K641-Q719 PolarHBondContact N-O 3.48Å; K641-Q725 PolarHBondContact O-NE2 2.88Å; K641-R726 PolarHBondContact NZ-O 3.32Å
642	G	90.4	Very high	95.5	Very high	36 Å²	36	23.6 Å²	23.6	37%	0.371	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	4.8	-179.8	0	0	0	0	0	115.2	C640 P692	C640-G642 PolarHBondContact O-N 3.19Å; G642-P692 PolarHBondContact N-O 3.4Å
643	D	93.8	Very high	95.5	Very high	24 Å²	24	19.8 Å²	19.8	13%	0.128	12%	0.121	C	C	.	.			trans	-61.6	141.2	167.4	-82.8	-9.8	0	0	0	109.9	N578 C640 K641 T645 E691 P692	N578-D643 HydrophobicContact CB-CB 3.87Å; C640-D643 WeakPolarHBondContact CB-OD2 3.23Å; C640-D643 PolarHBondContact N-OD2 3.33Å; C640-D643 VanDerWaalsContact O-CB 3.31Å; C640-D643 WeakPolarHBondContact O-CB 3.41Å; C640-D643 PolarHBondContact O-N 3.02Å; C640-D643 VanDerWaalsContact O-N 3.1Å; K641-D643 VanDerWaalsContact C-N 3.25Å; K641-D643 PolarHBondContact O-N 3.19Å; D643-T645 HydrophobicContact CB-CG2 3.77Å; D643-T645 PolarHBondContact O-N 3.04Å; D643-E691 WeakPolarHBondContact O-CA 3.39Å; D643-P692 WeakPolarHBondContact O-CD 3.21Å
644	K	94.8	Very high	95.3	Very high	116 Å²	116	19.5 Å²	19.5	50%	0.504	12%	0.12	S	C	.	.			trans	-80.5	114.2	163.2	-67.4	-174.3	177.1	-175	0	108.3	Y577 N578 K579	Y577-K644 HydrophobicContact CD1-CB 3.95Å; N578-K644 PolarHBondContact N-O 3.06Å; N578-K644 PolarHBondContact OD1-N 3.12Å; K579-K644 PolarHBondContact N-O 3.44Å
645	T	95.6	Very high	94.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137	-177.7	66.4	0	0	0	0	111.3	K579 M639 D643 W647 T689 M690	K579-T645 HydrophobicContact CB-CG2 3.85Å; K579-T645 HydrophobicContact CG-CG2 4.44Å; K579-T645 WeakPolarHBondContact O-CA 3.41Å; M639-T645 HydrophobicContact CB-CG2 4.15Å; M639-T645 HydrophobicContact CG-CG2 4.46Å; M639-T645 HydrophobicContact SD-CG2 3.69Å; D643-T645 HydrophobicContact CB-CG2 3.77Å; D643-T645 PolarHBondContact O-N 3.04Å; T645-W647 PolarHBondContact OG1-NE1 3.21Å; T645-T689 CarbonylContact O-C 3.6Å; T645-T689 WeakPolarHBondContact O-CA 2.94Å; T645-M690 PolarHBondContact N-O 2.82Å; T645-M690 PolarHBondContact O-N 2.84Å; T645-M690 WeakPolarHBondContact OG1-CB 3.45Å; T645-M690 PolarHBondContact OG1-O 2.72Å
646	T	96.8	Very high	94.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.2	168.1	39	0	0	0	0	109.7	Q574 Y577 K579 E580 F581 T689	Q574-T646 PolarHBondContact NE2-OG1 3.46Å; Y577-T646 HydrophobicContact CD1-CG2 3.52Å; Y577-T646 HydrophobicContact CD2-CG2 3.55Å; Y577-T646 HydrophobicContact CE1-CG2 3.44Å; Y577-T646 VanDerWaalsContact CE1-CG2 3.44Å; Y577-T646 HydrophobicContact CE2-CG2 3.48Å; Y577-T646 VanDerWaalsContact CE2-CG2 3.48Å; Y577-T646 HydrophobicContact CG-CG2 3.56Å; Y577-T646 VanDerWaalsContact CZ-CG2 3.4Å; K579-T646 PolarHBondContact O-N 2.86Å; K579-T646 PolarHBondContact O-OG1 2.81Å; E580-T646 WeakPolarHBondContact CA-O 3.45Å; F581-T646 PolarHBondContact N-O 2.85Å; T646-T689 HydrophobicContact CG2-CG2 4.04Å
647	W	98	Very high	94.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.6	171.6	-62.9	87.4	0	0	0	108.8	F581 L583 L637 M639 T645 L649 F663 T687 V688	F581-W647 HydrophobicContact CB-CD2 3.96Å; F581-W647 HydrophobicContact CB-CE3 3.38Å; F581-W647 HydrophobicContact CB-CH2 4.37Å; F581-W647 HydrophobicContact CB-CZ3 3.59Å; F581-W647 HydrophobicContact CD2-CD2 4.04Å; F581-W647 AromaticContact CD2-CE2 3.88Å; F581-W647 HydrophobicContact CD2-CE3 4.06Å; F581-W647 AromaticContact CD2-CH2 3.83Å; F581-W647 HydrophobicContact CD2-CH2 3.83Å; F581-W647 AromaticContact CD2-CZ2 3.85Å; F581-W647 HydrophobicContact CD2-CZ2 3.85Å; F581-W647 AromaticContact CD2-CZ3 3.92Å; F581-W647 HydrophobicContact CD2-CZ3 3.92Å; F581-W647 HydrophobicContact CE2-CH2 4.44Å; F581-W647 HydrophobicContact CE2-CZ2 4.35Å; F581-W647 HydrophobicContact CG-CD2 4.43Å; F581-W647 HydrophobicContact CG-CE3 4.04Å; F581-W647 HydrophobicContact CG-CH2 4.16Å; F581-W647 AromaticContact CG-CZ3 3.86Å; F581-W647 HydrophobicContact CG-CZ3 3.86Å; F581-W647 CarbonylContact O-C 3.58Å; F581-W647 WeakPolarHBondContact O-CA 3.17Å; L583-W647 HydrophobicContact CD1-CE3 3.77Å; L583-W647 HydrophobicContact CD1-CZ3 3.7Å; L583-W647 HydrophobicContact CD2-CZ3 4.32Å; L583-W647 HydrophobicContact CG-CE3 4.03Å; L583-W647 HydrophobicContact CG-CZ3 4.07Å; L637-W647 HydrophobicContact CD1-CH2 4.48Å; L637-W647 HydrophobicContact CD1-CZ3 4.4Å; L637-W647 HydrophobicContact CD2-CH2 4.26Å; L637-W647 HydrophobicContact CD2-CZ3 3.96Å; M639-W647 HydrophobicContact CE-CH2 3.85Å; M639-W647 HydrophobicContact CE-CZ2 3.27Å; M639-W647 HydrophobicContact SD-CZ2 4.41Å; T645-W647 PolarHBondContact OG1-NE1 3.21Å; W647-L649 HydrophobicContact CB-CD2 4.06Å; W647-L649 HydrophobicContact CB-CG 4.35Å; W647-F663 AromaticContact CD2-CE1 3.73Å; W647-F663 HydrophobicContact CD2-CE1 3.73Å; W647-F663 HydrophobicContact CD2-CZ 4.06Å; W647-F663 AromaticContact CE2-CE1 3.71Å; W647-F663 AromaticContact CE3-CE1 3.82Å; W647-F663 HydrophobicContact CE3-CE1 3.82Å; W647-F663 HydrophobicContact CE3-CZ 4.07Å; W647-F663 HydrophobicContact CG-CE1 4.36Å; W647-F663 HydrophobicContact CG-CZ 4.39Å; W647-F663 AromaticContact CH2-CE1 3.88Å; W647-F663 HydrophobicContact CH2-CE1 3.88Å; W647-F663 HydrophobicContact CZ2-CD1 4.3Å; W647-F663 AromaticContact CZ2-CE1 3.74Å; W647-F663 HydrophobicContact CZ2-CE1 3.74Å; W647-F663 AromaticContact CZ3-CE1 3.92Å; W647-F663 HydrophobicContact CZ3-CE1 3.92Å; W647-T687 WeakPolarHBondContact O-CA 3.38Å; W647-V688 HydrophobicContact CB-CG2 3.67Å; W647-V688 HydrophobicContact CG-CG2 4.38Å; W647-V688 PolarHBondContact N-O 2.75Å; W647-V688 PolarHBondContact O-N 2.89Å
648	H	98.1	Very high	94.1	Very high	5 Å²	5	20 Å²	20	2%	0.023	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	107.2	178.1	-63	-67.3	0	0	0	107.2	S540 L562 Q574 E580 F581 H582 L583	S540-H648 WeakPolarHBondContact OG-CA 3.44Å; S540-H648 WeakPolarHBondContact OG-CB 3.26Å; S540-H648 VanDerWaalsContact OG-CG 3.24Å; S540-H648 PolarHBondContact OG-ND1 3Å; L562-H648 HydrophobicContact CD2-CB 4.5Å; L562-H648 WeakPolarHBondContact CD2-ND1 3.16Å; Q574-H648 PolarHBondContact NE2-NE2 2.9Å; Q574-H648 VanDerWaalsContact NE2-NE2 3.13Å; E580-H648 IonicContact OE2-NE2 2.83Å; F581-H648 PolarHBondContact O-N 3.47Å; H582-H648 CarbonylContact C-O 3.59Å; H582-H648 WeakPolarHBondContact CA-O 3.32Å; H582-H648 AromaticContact CE1-CD2 3.48Å; H582-H648 PolarHBondContact CE1-CD2 3.34Å; H582-H648 VanDerWaalsContact CE1-CD2 3.48Å; H582-H648 AromaticContact CE1-CG 3.82Å; H582-H648 WeakPolarHBondContact ND1-CB 3.43Å; H582-H648 AromaticContact ND1-CD2 3.89Å; H582-H648 AromaticContact ND1-CG 3.89Å; H582-H648 AromaticContact NE2-CD2 3.71Å; L583-H648 PolarHBondContact N-O 3.26Å
649	L	98.1	Very high	94.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.1	-169.1	-51.7	177.4	0	0	0	109.2	L583 W647 L661 F663 I678 V680 S685 H686 V688	L583-L649 HydrophobicContact CB-CD2 3.81Å; L583-L649 HydrophobicContact CD1-CD2 3.89Å; L583-L649 HydrophobicContact CG-CD2 4.09Å; L583-L649 CarbonylContact O-C 3.46Å; L583-L649 VanDerWaalsContact O-CA 3.29Å; L583-L649 WeakPolarHBondContact O-CA 3.41Å; W647-L649 HydrophobicContact CB-CD2 4.06Å; W647-L649 HydrophobicContact CB-CG 4.35Å; L649-L661 HydrophobicContact CB-CD1 4.35Å; L649-L661 HydrophobicContact CD1-CD1 4.5Å; L649-L661 HydrophobicContact CD2-CD1 4.11Å; L649-F663 HydrophobicContact CD1-CE2 4.17Å; L649-F663 HydrophobicContact CD1-CZ 4.43Å; L649-F663 HydrophobicContact CD2-CZ 4.11Å; L649-I678 HydrophobicContact CD1-CG2 3.36Å; L649-V680 HydrophobicContact CB-CG1 4.05Å; L649-S685 CarbonylContact O-C 3.51Å; L649-S685 VanDerWaalsContact O-CA 3.24Å; L649-S685 WeakPolarHBondContact O-CA 3.26Å; L649-H686 PolarHBondContact N-O 2.89Å; L649-H686 PolarHBondContact O-N 2.89Å; L649-V688 HydrophobicContact CD1-CG1 4.37Å; L649-V688 HydrophobicContact CD1-CG2 3.95Å
650	S	97.3	Very high	94.2	Very high	8 Å²	8	17.2 Å²	17.2	6%	0.056	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	156.2	-176.7	52.3	0	0	0	0	112.1	L583 M584 A585 I684 S685	L583-S650 PolarHBondContact O-N 3.03Å; L583-S650 PolarHBondContact O-OG 2.72Å; M584-S650 VanDerWaalsContact CA-O 3.32Å; M584-S650 WeakPolarHBondContact CA-O 3.27Å; M584-S650 WeakPolarHBondContact CA-OG 2.96Å; M584-S650 WeakPolarHBondContact CB-OG 3.49Å; A585-S650 PolarHBondContact N-O 2.95Å; S650-I684 WeakPolarHBondContact CA-O 3.42Å; S650-S685 WeakPolarHBondContact CB-OG 3.2Å
651	G	95.8	Very high	94.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	160.2	175.9	0	0	0	0	0	113	A585 F681 H683 I684	A585-G651 WeakPolarHBondContact O-CA 3.29Å; G651-F681 CarbonylContact C-O 3.49Å; G651-F681 WeakPolarHBondContact CA-O 3.4Å; G651-H683 WeakPolarHBondContact O-CA 3.33Å; G651-H683 PolarHBondContact O-N 2.7Å; G651-I684 PolarHBondContact N-O 3.01Å
652	L	95.1	Very high	94.6	Very high	5 Å²	5	14.8 Å²	14.8	3%	0.026	8%	0.084	C	C	.	.			trans	-145.2	159.1	172	-70.1	-178.2	0	0	0	108.2	L542 T553 V558 M584 T586	L542-L652 HydrophobicContact CD1-CD2 4.11Å; T553-L652 HydrophobicContact CG2-CD1 4.18Å; V558-L652 HydrophobicContact CB-CD1 4Å; V558-L652 HydrophobicContact CG1-CD1 4.12Å; V558-L652 HydrophobicContact CG2-CD1 3.86Å; M584-L652 HydrophobicContact SD-CD1 3.7Å; M584-L652 HydrophobicContact SD-CG 4.13Å; T586-L652 WeakPolarHBondContact CB-O 3.4Å; T586-L652 PolarHBondContact OG1-O 2.96Å
653	G	93.5	Very high	94.9	Very high	3 Å²	3	13 Å²	13	3%	0.031	7%	0.067	C	C	.	.	S	Bend	trans	131.3	-146.5	170.2	0	0	0	0	0	114.8	N343 D657 P682	N343-G653 WeakPolarHBondContact CB-O 3.28Å; N343-G653 PolarHBondContact N-O 2.97Å; N343-G653 PolarHBondContact OD1-O 3.43Å; G653-D657 VanDerWaalsContact CA-OD2 3.29Å; G653-D657 WeakPolarHBondContact CA-OD2 3.48Å; G653-P682 WeakPolarHBondContact O-CB 3.44Å; G653-P682 VanDerWaalsContact O-CG 3.31Å; G653-P682 WeakPolarHBondContact O-CG 3.41Å
654	T	93.4	Very high	94.9	Very high	18 Å²	18	14.3 Å²	14.3	11%	0.11	7%	0.072	C	C	.	.	S	Bend	trans	-101.9	-173.3	-174.8	66.2	0	0	0	0	111.1	M296 V342 N343 T656 D657 P682	M296-T654 VanDerWaalsContact CE-O 3.28Å; M296-T654 WeakPolarHBondContact CE-O 3.36Å; V342-T654 VanDerWaalsContact CG1-C 3.45Å; N343-T654 HydrophobicContact CB-CG2 3.95Å; T654-T656 PolarHBondContact O-N 3.37Å; T654-T656 PolarHBondContact OG1-N 2.79Å; T654-T656 PolarHBondContact OG1-OG1 3.19Å; T654-T656 VanDerWaalsContact OG1-OG1 3.05Å; T654-D657 PolarHBondContact N-OD2 3.24Å; T654-D657 PolarHBondContact O-N 3.28Å; T654-D657 PolarHBondContact OG1-OD2 2.68Å; T654-P682 VanDerWaalsContact O-CG 3.3Å; T654-P682 WeakPolarHBondContact O-CG 3.43Å
655	E	86.6	Confident	94.7	Very high	34 Å²	34	9.1 Å²	9.1	16%	0.159	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.8	174.1	63.8	-87.1	-159.5	0	0	113.1	V294 M296 V342 I658	V294-E655 HydrophobicContact CB-CG 4.09Å; V294-E655 HydrophobicContact CG1-CG 4.2Å; V294-E655 WeakPolarHBondContact O-CB 3.13Å; M296-E655 VanDerWaalsContact CE-CA 3.45Å; M296-E655 WeakPolarHBondContact CE-O 3.11Å; V342-E655 HydrophobicContact CG1-CB 4.2Å; V342-E655 VanDerWaalsContact CG1-N 3.27Å; E655-I658 WeakPolarHBondContact O-CD1 3.43Å
656	T	87.5	Confident	94.6	Very high	51 Å²	51	9.1 Å²	9.1	31%	0.313	5%	0.051	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.5	177	72.6	0	0	0	0	112.9	T654 I658 H707 E993	T654-T656 PolarHBondContact O-N 3.37Å; T654-T656 PolarHBondContact OG1-N 2.79Å; T654-T656 PolarHBondContact OG1-OG1 3.19Å; T654-T656 VanDerWaalsContact OG1-OG1 3.05Å; T656-I658 PolarHBondContact O-N 3.05Å; T656-H707 PolarHBondContact O-CE1 2.81Å; T656-H707 PolarHBondContact O-NE2 3.2Å; T656-E993 WeakPolarHBondContact CB-OE2 3.38Å; T656-E993 WeakPolarHBondContact O-CG 3.44Å
657	D	92.3	Very high	94.5	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.021	6%	0.055	C	C	.	.			trans	-79.3	54	-179.9	-70.7	-91.2	0	0	0	112.5	V587 G653 T654 I659 P682	V587-D657 WeakPolarHBondContact CB-OD1 3.47Å; V587-D657 WeakPolarHBondContact CG2-OD1 3.31Å; V587-D657 PolarHBondContact N-OD1 2.89Å; G653-D657 VanDerWaalsContact CA-OD2 3.29Å; G653-D657 WeakPolarHBondContact CA-OD2 3.48Å; T654-D657 PolarHBondContact N-OD2 3.24Å; T654-D657 PolarHBondContact O-N 3.28Å; T654-D657 PolarHBondContact OG1-OD2 2.68Å; D657-I659 HydrophobicContact CB-CD1 4.22Å; D657-I659 PolarHBondContact O-N 2.77Å; D657-P682 HydrophobicContact CB-CG 4.44Å
658	I	91.9	Very high	94.4	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	6%	0.055	C	C	.	.			trans	-86.1	87	169.9	-64.4	144.4	0	0	0	107.8	M296 E655 T656 F681 T704 E993 I996 F1023	M296-I658 HydrophobicContact CE-CG1 3.88Å; M296-I658 HydrophobicContact SD-CG1 3.74Å; E655-I658 WeakPolarHBondContact O-CD1 3.43Å; T656-I658 PolarHBondContact O-N 3.05Å; I658-F681 HydrophobicContact CG2-CE1 4.27Å; I658-T704 PolarHBondContact O-OG1 3.48Å; I658-E993 WeakPolarHBondContact CD1-O 3.39Å; I658-I996 HydrophobicContact CD1-CG2 3.17Å; I658-I996 HydrophobicContact CG1-CG2 3.98Å; I658-I996 HydrophobicContact CG2-CG2 4.41Å; I658-F1023 HydrophobicContact CG2-CB 4.16Å; I658-F1023 HydrophobicContact CG2-CD1 3.76Å; I658-F1023 HydrophobicContact CG2-CG 4.27Å
659	I	96.1	Very high	94.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	104.3	-170.2	-60.4	163.2	0	0	0	110.5	A585 D657 L661 S679 V680 H707 M712	A585-I659 VanDerWaalsContact C-CD1 3.45Å; A585-I659 HydrophobicContact CB-CD1 4.18Å; A585-I659 HydrophobicContact CB-CG2 3.68Å; A585-I659 VanDerWaalsContact O-CD1 3.24Å; A585-I659 WeakPolarHBondContact O-CD1 3.39Å; D657-I659 HydrophobicContact CB-CD1 4.22Å; D657-I659 PolarHBondContact O-N 2.77Å; I659-L661 HydrophobicContact CG2-CD2 4.02Å; I659-L661 HydrophobicContact CG2-CG 4.2Å; I659-L661 PolarHBondContact O-N 3.46Å; I659-S679 CarbonylContact O-C 3.46Å; I659-S679 VanDerWaalsContact O-CA 3.29Å; I659-S679 WeakPolarHBondContact O-CA 3.34Å; I659-V680 HydrophobicContact CB-CG2 3.9Å; I659-V680 HydrophobicContact CG2-CG2 4.13Å; I659-V680 PolarHBondContact N-O 2.94Å; I659-V680 PolarHBondContact O-N 2.6Å; I659-H707 VanDerWaalsContact CG1-CD2 3.48Å; I659-H707 WeakPolarHBondContact CG1-CD2 3.41Å; I659-H707 WeakPolarHBondContact CG1-NE2 3.24Å; I659-M712 HydrophobicContact CB-SD 4.32Å; I659-M712 HydrophobicContact CD1-CE 3.74Å; I659-M712 HydrophobicContact CD1-SD 4Å; I659-M712 HydrophobicContact CG1-CE 4.03Å; I659-M712 HydrophobicContact CG1-SD 3.97Å; I659-M712 HydrophobicContact CG2-SD 3.39Å; I659-M712 WeakPolarHBondContact CG2-SD 3.32Å
660	S	96.6	Very high	94.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	97.2	175.6	-74.9	0	0	0	0	112.2	Y662 S679 S702 A703 P1024	S660-Y662 PolarHBondContact O-N 3.11Å; S660-S679 PolarHBondContact OG-OG 2.65Å; S660-S702 CarbonylContact O-C 3.48Å; S660-S702 WeakPolarHBondContact O-CA 3.44Å; S660-A703 PolarHBondContact O-N 2.73Å; S660-P1024 WeakPolarHBondContact CB-O 3.43Å; S660-P1024 PolarHBondContact OG-O 3.43Å
661	L	97.8	Very high	93.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	105.6	179.7	-66.6	175.9	0	0	0	111.5	A585 I626 L649 I659 F663 T677 I678 V680 V700 V701	A585-L661 HydrophobicContact CB-CD1 4.31Å; A585-L661 HydrophobicContact CB-CD2 3.89Å; A585-L661 HydrophobicContact CB-CG 4.42Å; I626-L661 HydrophobicContact CD1-CD2 4.36Å; L649-L661 HydrophobicContact CB-CD1 4.35Å; L649-L661 HydrophobicContact CD1-CD1 4.5Å; L649-L661 HydrophobicContact CD2-CD1 4.11Å; I659-L661 HydrophobicContact CG2-CD2 4.02Å; I659-L661 HydrophobicContact CG2-CG 4.2Å; I659-L661 PolarHBondContact O-N 3.46Å; L661-F663 HydrophobicContact CB-CE2 4.39Å; L661-T677 VanDerWaalsContact O-CA 3.32Å; L661-T677 WeakPolarHBondContact O-CA 3.37Å; L661-I678 PolarHBondContact N-O 3.08Å; L661-I678 PolarHBondContact O-N 2.79Å; L661-V680 HydrophobicContact CD1-CG2 4.39Å; L661-V700 HydrophobicContact CB-CG2 4.43Å; L661-V700 HydrophobicContact CD2-CG2 4.39Å; L661-V701 WeakPolarHBondContact CA-O 3.49Å
662	Y	97.3	Very high	93.7	Very high	4 Å²	4	18 Å²	18	2%	0.016	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	121.9	176.2	170	-136.7	0	0	0	111.5	S660 Q664 D676 T677 V700 V701 H839	S660-Y662 PolarHBondContact O-N 3.11Å; Y662-Q664 HydrophobicContact CD1-CG 3.94Å; Y662-Q664 HydrophobicContact CE1-CB 4.41Å; Y662-Q664 HydrophobicContact CE1-CG 3.49Å; Y662-Q664 VanDerWaalsContact CE1-CG 3.49Å; Y662-D676 HydrophobicContact CD2-CB 4.18Å; Y662-D676 HydrophobicContact CE2-CB 4.05Å; Y662-T677 WeakPolarHBondContact CD2-OG1 3.08Å; Y662-V700 WeakPolarHBondContact O-CA 3.47Å; Y662-V701 HydrophobicContact CD1-CG2 4.01Å; Y662-V701 PolarHBondContact N-O 3.38Å; Y662-V701 PolarHBondContact O-N 3.36Å; Y662-H839 AromaticContact CD1-NE2 3.91Å; Y662-H839 AromaticContact CD2-CD2 3.61Å; Y662-H839 AromaticContact CD2-NE2 3.81Å; Y662-H839 AromaticContact CE1-NE2 3.87Å; Y662-H839 AromaticContact CE2-CD2 3.37Å; Y662-H839 WeakPolarHBondContact CE2-CD2 3.37Å; Y662-H839 AromaticContact CE2-NE2 3.82Å; Y662-H839 AromaticContact CG-NE2 3.88Å; Y662-H839 AromaticContact CZ-CD2 3.69Å; Y662-H839 AromaticContact CZ-NE2 3.84Å
663	F	97.1	Very high	93.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	102.3	174.9	-70.3	-102.4	0	0	0	110.3	L583 W647 L649 L661 G665 F668 D676 M690 V700 Y716	L583-F663 HydrophobicContact CD1-CE1 4.49Å; L583-F663 HydrophobicContact CD1-CZ 4.13Å; W647-F663 AromaticContact CD2-CE1 3.73Å; W647-F663 HydrophobicContact CD2-CE1 3.73Å; W647-F663 HydrophobicContact CD2-CZ 4.06Å; W647-F663 AromaticContact CE2-CE1 3.71Å; W647-F663 AromaticContact CE3-CE1 3.82Å; W647-F663 HydrophobicContact CE3-CE1 3.82Å; W647-F663 HydrophobicContact CE3-CZ 4.07Å; W647-F663 HydrophobicContact CG-CE1 4.36Å; W647-F663 HydrophobicContact CG-CZ 4.39Å; W647-F663 AromaticContact CH2-CE1 3.88Å; W647-F663 HydrophobicContact CH2-CE1 3.88Å; W647-F663 HydrophobicContact CZ2-CD1 4.3Å; W647-F663 AromaticContact CZ2-CE1 3.74Å; W647-F663 HydrophobicContact CZ2-CE1 3.74Å; W647-F663 AromaticContact CZ3-CE1 3.92Å; W647-F663 HydrophobicContact CZ3-CE1 3.92Å; L649-F663 HydrophobicContact CD1-CE2 4.17Å; L649-F663 HydrophobicContact CD1-CZ 4.43Å; L649-F663 HydrophobicContact CD2-CZ 4.11Å; L661-F663 HydrophobicContact CB-CE2 4.39Å; F663-G665 PolarHBondContact O-N 2.9Å; F663-F668 AromaticContact CD2-CD1 3.91Å; F663-F668 HydrophobicContact CD2-CD1 3.91Å; F663-F668 AromaticContact CD2-CE1 3.64Å; F663-F668 HydrophobicContact CD2-CE1 3.64Å; F663-F668 HydrophobicContact CE2-CD1 4.36Å; F663-F668 HydrophobicContact CE2-CE1 4.08Å; F663-F668 HydrophobicContact CG-CD1 4.38Å; F663-F668 HydrophobicContact CG-CE1 4.46Å; F663-D676 PolarHBondContact N-O 3.47Å; F663-M690 HydrophobicContact CB-CE 3.98Å; F663-M690 HydrophobicContact CD1-CE 3.66Å; F663-M690 HydrophobicContact CE1-CE 4.32Å; F663-M690 HydrophobicContact CG-CE 3.87Å; F663-V700 HydrophobicContact CD1-CB 4.18Å; F663-V700 HydrophobicContact CD1-CG2 4.11Å; F663-V700 HydrophobicContact CD2-CG2 4.13Å; F663-V700 HydrophobicContact CE1-CB 4.16Å; F663-V700 HydrophobicContact CE1-CG2 3.88Å; F663-V700 HydrophobicContact CE2-CG2 3.91Å; F663-V700 HydrophobicContact CG-CG2 4.24Å; F663-V700 HydrophobicContact CZ-CG2 3.78Å; F663-Y716 HydrophobicContact CD1-CE1 4.41Å
664	Q	94.3	Very high	93.7	Very high	51 Å²	51	19.2 Å²	19.2	24%	0.238	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	133.2	-178	-68	175.4	2	0	0	111.8	Y662 N666 F698 E699 Y716	Y662-Q664 HydrophobicContact CD1-CG 3.94Å; Y662-Q664 HydrophobicContact CE1-CB 4.41Å; Y662-Q664 HydrophobicContact CE1-CG 3.49Å; Y662-Q664 VanDerWaalsContact CE1-CG 3.49Å; Q664-N666 PolarHBondContact O-N 2.94Å; Q664-N666 VanDerWaalsContact O-N 3.12Å; Q664-F698 HydrophobicContact CB-CB 4.41Å; Q664-F698 WeakPolarHBondContact O-CB 3.46Å; Q664-F698 VanDerWaalsContact O-CD1 3.25Å; Q664-F698 WeakPolarHBondContact O-CD1 3.48Å; Q664-F698 WeakPolarHBondContact O-CG 3.36Å; Q664-E699 WeakPolarHBondContact CB-O 3.27Å; Q664-E699 WeakPolarHBondContact CG-O 3.42Å; Q664-E699 PolarHBondContact N-O 3Å; Q664-Y716 PolarHBondContact O-OH 3.12Å
665	G	90.2	Very high	93.8	Very high	6 Å²	6	19.8 Å²	19.8	6%	0.062	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-9.7	170	0	0	0	0	0	117.2	F663 S694	F663-G665 PolarHBondContact O-N 2.9Å; G665-S694 PolarHBondContact O-OG 2.72Å
666	N	92.9	Very high	94.2	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.086	C	C	.	.			trans	-133.7	147.8	176.1	-66	-83.6	0	0	0	110.7	Q664 M690 P692 D693 S694 Y716	Q664-N666 PolarHBondContact O-N 2.94Å; Q664-N666 VanDerWaalsContact O-N 3.12Å; N666-M690 HydrophobicContact CB-CE 4.24Å; N666-M690 HydrophobicContact CB-SD 3.88Å; N666-P692 VanDerWaalsContact OD1-CA 3.27Å; N666-P692 WeakPolarHBondContact OD1-CA 3.4Å; N666-P692 WeakPolarHBondContact OD1-CB 3.49Å; N666-D693 PolarHBondContact OD1-N 3.41Å; N666-S694 PolarHBondContact OD1-N 2.86Å; N666-Y716 PolarHBondContact ND2-OH 2.9Å
667	R	94.8	Very high	94.6	Very high	25 Å²	25	16 Å²	16	9%	0.094	7%	0.072	C	C	.	.			trans	-109.9	149.3	178	-60.5	-174.1	76.9	88.2	5.7	110.5	R674 K675 D676 G840 T867	R667-R674 HydrophobicContact CB-CG 3.8Å; R667-R674 PolarHBondContact NH2-O 2.87Å; R667-K675 CarbonylContact C-O 3.07Å; R667-K675 WeakPolarHBondContact CA-O 3.05Å; R667-K675 WeakPolarHBondContact CB-O 3.15Å; R667-D676 HydrophobicContact CG-CB 4.23Å; R667-D676 IonicContact CZ-OD2 2.62Å; R667-D676 IonicContact NH1-OD1 2.65Å; R667-D676 IonicContact NH1-OD2 3.52Å; R667-D676 PolarHBondContact NH1-OD2 2.73Å; R667-D676 IonicContact NH2-OD1 2.7Å; R667-G840 WeakPolarHBondContact CD-O 3.36Å; R667-T867 WeakPolarHBondContact CD-O 3.41Å
668	F	96.1	Very high	94.9	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	167.1	173.2	58.5	-101.8	0	0	0	111.6	F663 R674 K675 D676 I678 V688 T689 M690	F663-F668 AromaticContact CD2-CD1 3.91Å; F663-F668 HydrophobicContact CD2-CD1 3.91Å; F663-F668 AromaticContact CD2-CE1 3.64Å; F663-F668 HydrophobicContact CD2-CE1 3.64Å; F663-F668 HydrophobicContact CE2-CD1 4.36Å; F663-F668 HydrophobicContact CE2-CE1 4.08Å; F663-F668 HydrophobicContact CG-CD1 4.38Å; F663-F668 HydrophobicContact CG-CE1 4.46Å; F668-R674 WeakPolarHBondContact O-CA 3.4Å; F668-K675 HydrophobicContact CD2-CB 4.37Å; F668-K675 HydrophobicContact CE2-CB 3.73Å; F668-K675 HydrophobicContact CZ-CB 4.01Å; F668-K675 PolarHBondContact N-O 2.71Å; F668-K675 PolarHBondContact O-N 3.27Å; F668-D676 VanDerWaalsContact CE1-O 3.31Å; F668-D676 WeakPolarHBondContact CE1-O 3.14Å; F668-I678 HydrophobicContact CE1-CG2 4.36Å; F668-I678 HydrophobicContact CE2-CB 4.16Å; F668-I678 HydrophobicContact CE2-CG2 4.29Å; F668-I678 HydrophobicContact CZ-CB 3.71Å; F668-I678 HydrophobicContact CZ-CG2 3.68Å; F668-V688 HydrophobicContact CB-CB 4.16Å; F668-V688 HydrophobicContact CB-CG2 4.03Å; F668-V688 HydrophobicContact CD1-CG2 4.31Å; F668-V688 HydrophobicContact CD2-CB 3.57Å; F668-V688 HydrophobicContact CD2-CG1 3.68Å; F668-V688 HydrophobicContact CD2-CG2 3.89Å; F668-V688 HydrophobicContact CE2-CB 4.17Å; F668-V688 HydrophobicContact CE2-CG1 3.76Å; F668-V688 HydrophobicContact CE2-CG2 4.44Å; F668-V688 HydrophobicContact CG-CB 3.97Å; F668-V688 HydrophobicContact CG-CG1 4.45Å; F668-V688 HydrophobicContact CG-CG2 3.82Å; F668-T689 CarbonylContact C-O 3.52Å; F668-T689 VanDerWaalsContact CA-O 3.23Å; F668-T689 WeakPolarHBondContact CA-O 3.46Å; F668-T689 VanDerWaalsContact CB-O 3.3Å; F668-T689 WeakPolarHBondContact CB-O 3.42Å; F668-M690 HydrophobicContact CB-CB 4.09Å; F668-M690 HydrophobicContact CB-CE 4.12Å; F668-M690 HydrophobicContact CD1-CE 4.18Å
669	I	95.8	Very high	95.1	Very high	45 Å²	45	16.5 Å²	16.5	23%	0.231	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125	172.1	-55.4	-57.8	0	0	0	108.7	N673 R674 T689 T870	I669-N673 CarbonylContact C-O 3.49Å; I669-N673 WeakPolarHBondContact CA-O 3.37Å; I669-R674 HydrophobicContact CD1-CB 3.7Å; I669-R674 HydrophobicContact CD1-CG 3.95Å; I669-T689 PolarHBondContact N-O 2.72Å; I669-T689 PolarHBondContact O-N 3.02Å; I669-T870 HydrophobicContact CD1-CG2 3.78Å
670	Y	94.8	Very high	95	Very high	33 Å²	33	16.5 Å²	16.5	13%	0.129	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	123.2	170.6	172	-105.1	0	0	0	108.2	Q672 N673 I678 H686 V688 L1010	Y670-Q672 VanDerWaalsContact C-N 3.29Å; Y670-Q672 PolarHBondContact O-N 3.25Å; Y670-N673 PolarHBondContact N-O 2.83Å; Y670-N673 WeakPolarHBondContact O-CA 3.1Å; Y670-N673 WeakPolarHBondContact O-CB 3.46Å; Y670-N673 PolarHBondContact O-N 2.95Å; Y670-N673 VanDerWaalsContact O-O 3.13Å; Y670-I678 HydrophobicContact CD1-CD1 4.44Å; Y670-I678 HydrophobicContact CD2-CD1 3.81Å; Y670-I678 HydrophobicContact CE2-CD1 4.06Å; Y670-I678 HydrophobicContact CG-CD1 3.99Å; Y670-H686 HydrophobicContact CE2-CB 4.28Å; Y670-H686 AromaticContact CE2-ND1 3.98Å; Y670-V688 HydrophobicContact CD2-CG1 3.98Å; Y670-V688 HydrophobicContact CG-CG1 4.37Å; Y670-L1010 HydrophobicContact CE1-CD1 4.42Å
671	R	91.9	Very high	95	Very high	48 Å²	48	17.1 Å²	17.1	18%	0.181	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.7	53.8	-177.3	-65.3	-171.6	173.4	-174.2	2.9	112.6	H311 N673 L1010 G1011	H311-R671 VanDerWaalsContact CB-NH2 3.28Å; H311-R671 PolarHBondContact CD2-NH1 2.91Å; H311-R671 VanDerWaalsContact CD2-NH1 3.28Å; H311-R671 VanDerWaalsContact CG-CZ 3.47Å; R671-N673 PolarHBondContact O-N 2.79Å; R671-L1010 HydrophobicContact CB-CD1 3.87Å; R671-L1010 HydrophobicContact CB-CG 4.14Å; R671-G1011 VanDerWaalsContact O-CA 3.27Å; R671-G1011 WeakPolarHBondContact O-CA 3.33Å; R671-G1011 PolarHBondContact O-N 3.01Å
672	Q	91.4	Very high	94.9	Very high	49 Å²	49	17.1 Å²	17.1	23%	0.229	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	0.2	-178.9	-50.3	176	21.6	0	0	115.9	Y670 T870 E872 G1011	Y670-Q672 VanDerWaalsContact C-N 3.29Å; Y670-Q672 PolarHBondContact O-N 3.25Å; Q672-T870 WeakPolarHBondContact O-CB 3.37Å; Q672-T870 WeakPolarHBondContact O-CG2 3.48Å; Q672-T870 PolarHBondContact O-OG1 2.75Å; Q672-E872 HydrophobicContact CB-CB 4.08Å; Q672-E872 HydrophobicContact CB-CG 4.27Å; Q672-G1011 VanDerWaalsContact CD-O 3.32Å; Q672-G1011 PolarHBondContact NE2-O 3.24Å; Q672-G1011 PolarHBondContact OE1-O 2.65Å
673	N	93.6	Very high	94.8	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.016	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134.6	177	-76.1	18	0	0	0	110.8	I669 Y670 R671 Q873 K1009 L1010	I669-N673 CarbonylContact C-O 3.49Å; I669-N673 WeakPolarHBondContact CA-O 3.37Å; Y670-N673 PolarHBondContact N-O 2.83Å; Y670-N673 WeakPolarHBondContact O-CA 3.1Å; Y670-N673 WeakPolarHBondContact O-CB 3.46Å; Y670-N673 PolarHBondContact O-N 2.95Å; Y670-N673 VanDerWaalsContact O-O 3.13Å; R671-N673 PolarHBondContact O-N 2.79Å; N673-Q873 VanDerWaalsContact CA-CD 3.45Å; N673-Q873 VanDerWaalsContact CA-NE2 3.35Å; N673-Q873 HydrophobicContact CB-CG 3.86Å; N673-Q873 VanDerWaalsContact CB-NE2 3.28Å; N673-Q873 VanDerWaalsContact CG-CG 3.42Å; N673-Q873 WeakPolarHBondContact OD1-CG 3.45Å; N673-K1009 PolarHBondContact ND2-O 3.42Å; N673-L1010 HydrophobicContact CB-CD1 4.44Å
674	R	95	Very high	94.7	Very high	30 Å²	30	17.8 Å²	17.8	11%	0.113	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	121.1	173.6	-169.7	169.7	-69.3	137.7	-13.4	112	R667 F668 I669 K865 N866 G868 T870 Q873	R667-R674 HydrophobicContact CB-CG 3.8Å; R667-R674 PolarHBondContact NH2-O 2.87Å; F668-R674 WeakPolarHBondContact O-CA 3.4Å; I669-R674 HydrophobicContact CD1-CB 3.7Å; I669-R674 HydrophobicContact CD1-CG 3.95Å; R674-K865 PolarHBondContact NH1-O 3Å; R674-N866 WeakPolarHBondContact CD-O 3.31Å; R674-N866 PolarHBondContact NE-O 3.15Å; R674-G868 WeakPolarHBondContact CD-O 3.47Å; R674-G868 PolarHBondContact NH1-O 3.36Å; R674-T870 HydrophobicContact CB-CG2 3.9Å; R674-Q873 PolarHBondContact O-NE2 3.24Å
675	K	95.3	Very high	94.8	Very high	31 Å²	31	16.5 Å²	16.5	14%	0.135	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	168.1	179.3	-63.9	-168.2	172.5	-161.9	0	110.2	R667 F668	R667-K675 CarbonylContact C-O 3.07Å; R667-K675 WeakPolarHBondContact CA-O 3.05Å; R667-K675 WeakPolarHBondContact CB-O 3.15Å; F668-K675 HydrophobicContact CD2-CB 4.37Å; F668-K675 HydrophobicContact CE2-CB 3.73Å; F668-K675 HydrophobicContact CZ-CB 4.01Å; F668-K675 PolarHBondContact N-O 2.71Å; F668-K675 PolarHBondContact O-N 3.27Å
676	D	95.6	Very high	95	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.021	8%	0.082	C	C	.	.	S	Bend	trans	-124.2	-18.5	171.8	41.4	12.1	0	0	0	112	Y662 F663 R667 F668 H839 G840	Y662-D676 HydrophobicContact CD2-CB 4.18Å; Y662-D676 HydrophobicContact CE2-CB 4.05Å; F663-D676 PolarHBondContact N-O 3.47Å; R667-D676 HydrophobicContact CG-CB 4.23Å; R667-D676 IonicContact CZ-OD2 2.62Å; R667-D676 IonicContact NH1-OD1 2.65Å; R667-D676 IonicContact NH1-OD2 3.52Å; R667-D676 PolarHBondContact NH1-OD2 2.73Å; R667-D676 IonicContact NH2-OD1 2.7Å; F668-D676 VanDerWaalsContact CE1-O 3.31Å; F668-D676 WeakPolarHBondContact CE1-O 3.14Å; D676-H839 WeakPolarHBondContact OD2-CB 3.38Å; D676-H839 IonicContact OD2-CD2 3.97Å; D676-G840 WeakPolarHBondContact OD2-CA 3.4Å; D676-G840 PolarHBondContact OD2-N 2.72Å
677	T	97.1	Very high	95.2	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.012	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.7	175.2	-51.7	0	0	0	0	111	L661 Y662 A1025 I1026	L661-T677 VanDerWaalsContact O-CA 3.32Å; L661-T677 WeakPolarHBondContact O-CA 3.37Å; Y662-T677 WeakPolarHBondContact CD2-OG1 3.08Å; T677-A1025 VanDerWaalsContact CB-O 3.28Å; T677-A1025 WeakPolarHBondContact CB-O 3.46Å; T677-A1025 HydrophobicContact CG2-CB 3.95Å; T677-I1026 HydrophobicContact CG2-CD1 4.1Å
678	I	96.8	Very high	95.4	Very high	8 Å²	8	17.1 Å²	17.1	4%	0.041	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	135.1	172	-171.7	166.9	0	0	0	109.5	L649 L661 F668 Y670 H686 V688	L649-I678 HydrophobicContact CD1-CG2 3.36Å; L661-I678 PolarHBondContact N-O 3.08Å; L661-I678 PolarHBondContact O-N 2.79Å; F668-I678 HydrophobicContact CE1-CG2 4.36Å; F668-I678 HydrophobicContact CE2-CB 4.16Å; F668-I678 HydrophobicContact CE2-CG2 4.29Å; F668-I678 HydrophobicContact CZ-CB 3.71Å; F668-I678 HydrophobicContact CZ-CG2 3.68Å; Y670-I678 HydrophobicContact CD1-CD1 4.44Å; Y670-I678 HydrophobicContact CD2-CD1 3.81Å; Y670-I678 HydrophobicContact CE2-CD1 4.06Å; Y670-I678 HydrophobicContact CG-CD1 3.99Å; I678-H686 HydrophobicContact CD1-CB 3.7Å; I678-H686 VanDerWaalsContact CD1-CD2 3.46Å; I678-H686 WeakPolarHBondContact CD1-CD2 3.26Å; I678-V688 HydrophobicContact CD1-CG1 3.88Å
679	S	96.2	Very high	95.4	Very high	7 Å²	7	18.5 Å²	18.5	5%	0.049	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	139.5	177	-49.9	0	0	0	0	110.4	I659 S660 H686 I1026	I659-S679 CarbonylContact O-C 3.46Å; I659-S679 VanDerWaalsContact O-CA 3.29Å; I659-S679 WeakPolarHBondContact O-CA 3.34Å; S660-S679 PolarHBondContact OG-OG 2.65Å; S679-H686 PolarHBondContact O-CD2 3.29Å; S679-H686 VanDerWaalsContact O-CD2 3.32Å; S679-H686 PolarHBondContact O-NE2 2.75Å; S679-I1026 WeakPolarHBondContact OG-CD1 3.38Å; S679-I1026 WeakPolarHBondContact OG-CG1 3.21Å
680	V	95.6	Very high	95.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.2	167.5	-63.9	0	0	0	0	108.2	A585 L649 I659 L661	A585-V680 HydrophobicContact CB-CG2 4.48Å; L649-V680 HydrophobicContact CB-CG1 4.05Å; I659-V680 HydrophobicContact CB-CG2 3.9Å; I659-V680 HydrophobicContact CG2-CG2 4.13Å; I659-V680 PolarHBondContact N-O 2.94Å; I659-V680 PolarHBondContact O-N 2.6Å; L661-V680 HydrophobicContact CD1-CG2 4.39Å
681	F	95.2	Very high	95.4	Very high	12 Å²	12	20 Å²	20	5%	0.053	10%	0.097	C	C	.	.			trans	-129.9	169.4	-176.3	-47.3	-67.8	0	0	0	108.7	M296 F319 G651 I658 H683 I684 F1023	M296-F681 HydrophobicContact SD-CB 3.83Å; M296-F681 HydrophobicContact SD-CD1 3.28Å; M296-F681 WeakPolarHBondContact SD-CD1 3.29Å; M296-F681 HydrophobicContact SD-CE1 4.08Å; M296-F681 HydrophobicContact SD-CG 3.83Å; F319-F681 HydrophobicContact CE1-CD1 4.22Å; F319-F681 AromaticContact CE1-CE1 3.88Å; F319-F681 HydrophobicContact CE1-CE1 3.88Å; F319-F681 HydrophobicContact CE1-CZ 4.05Å; F319-F681 HydrophobicContact CE2-CE2 4.21Å; F319-F681 HydrophobicContact CE2-CZ 4.26Å; F319-F681 HydrophobicContact CZ-CD1 4.08Å; F319-F681 AromaticContact CZ-CD2 3.9Å; F319-F681 HydrophobicContact CZ-CD2 3.9Å; F319-F681 AromaticContact CZ-CE1 3.69Å; F319-F681 HydrophobicContact CZ-CE1 3.69Å; F319-F681 AromaticContact CZ-CE2 3.53Å; F319-F681 HydrophobicContact CZ-CE2 3.53Å; F319-F681 HydrophobicContact CZ-CG 4.15Å; F319-F681 AromaticContact CZ-CZ 3.41Å; F319-F681 HydrophobicContact CZ-CZ 3.41Å; F319-F681 VanDerWaalsContact CZ-CZ 3.41Å; G651-F681 CarbonylContact C-O 3.49Å; G651-F681 WeakPolarHBondContact CA-O 3.4Å; I658-F681 HydrophobicContact CG2-CE1 4.27Å; F681-H683 PolarHBondContact O-N 2.81Å; F681-H683 VanDerWaalsContact O-N 3.12Å; F681-I684 HydrophobicContact CB-CB 4.1Å; F681-I684 HydrophobicContact CB-CG1 3.9Å; F681-I684 HydrophobicContact CD2-CB 4.29Å; F681-I684 HydrophobicContact CD2-CG1 4.28Å; F681-I684 HydrophobicContact CD2-CG2 4.22Å; F681-I684 PolarHBondContact O-N 2.84Å; F681-F1023 HydrophobicContact CE1-CD1 4.15Å; F681-F1023 HydrophobicContact CE1-CD2 4.49Å; F681-F1023 AromaticContact CE1-CE1 3.97Å; F681-F1023 HydrophobicContact CE1-CE1 3.97Å; F681-F1023 HydrophobicContact CE1-CE2 4.34Å; F681-F1023 HydrophobicContact CE1-CG 4.42Å; F681-F1023 HydrophobicContact CE1-CZ 4.08Å; F681-F1023 HydrophobicContact CZ-CD1 4.33Å; F681-F1023 AromaticContact CZ-CD2 3.94Å; F681-F1023 HydrophobicContact CZ-CD2 3.94Å; F681-F1023 HydrophobicContact CZ-CE1 4.01Å; F681-F1023 AromaticContact CZ-CE2 3.6Å; F681-F1023 HydrophobicContact CZ-CE2 3.6Å; F681-F1023 HydrophobicContact CZ-CG 4.31Å; F681-F1023 AromaticContact CZ-CZ 3.65Å; F681-F1023 HydrophobicContact CZ-CZ 3.65Å
682	P	96.1	Very high	95.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-51.3	121.8	179.3	-29	36	0	0	0	112.7	M296 S298 V342 G653 T654 D657 I684	M296-P682 HydrophobicContact CE-CG 4.24Å; S298-P682 WeakPolarHBondContact CB-O 3.46Å; S298-P682 PolarHBondContact OG-O 2.82Å; V342-P682 HydrophobicContact CG2-CB 4.22Å; V342-P682 HydrophobicContact CG2-CG 4.07Å; G653-P682 WeakPolarHBondContact O-CB 3.44Å; G653-P682 VanDerWaalsContact O-CG 3.31Å; G653-P682 WeakPolarHBondContact O-CG 3.41Å; T654-P682 VanDerWaalsContact O-CG 3.3Å; T654-P682 WeakPolarHBondContact O-CG 3.43Å; D657-P682 HydrophobicContact CB-CG 4.44Å; P682-I684 PolarHBondContact O-N 2.9Å; P682-I684 VanDerWaalsContact O-N 3.12Å
683	H	95.6	Very high	95.4	Very high	7 Å²	7	16.3 Å²	16.3	3%	0.032	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	2.9	-176.4	-65.4	-110.4	0	0	0	116.9	M315 H469 Y544 G651 F681	M315-H683 HydrophobicContact CE-CB 3.52Å; M315-H683 HydrophobicContact SD-CB 4.46Å; H469-H683 AromaticContact CD2-ND1 3.87Å; H469-H683 AromaticContact CE1-ND1 3.91Å; H469-H683 AromaticContact NE2-CE1 3.93Å; H469-H683 AromaticContact NE2-CG 3.8Å; H469-H683 AromaticContact NE2-ND1 2.92Å; H469-H683 PolarHBondContact NE2-ND1 2.75Å; Y544-H683 AromaticContact CD1-CE1 3.84Å; Y544-H683 AromaticContact CD2-CE1 3.89Å; Y544-H683 AromaticContact CE1-CE1 3.65Å; Y544-H683 AromaticContact CE1-ND1 3.73Å; Y544-H683 AromaticContact CE2-CE1 3.67Å; Y544-H683 AromaticContact CG-CE1 3.98Å; Y544-H683 AromaticContact CZ-CE1 3.54Å; Y544-H683 AromaticContact CZ-ND1 3.91Å; G651-H683 WeakPolarHBondContact O-CA 3.33Å; G651-H683 PolarHBondContact O-N 2.7Å; F681-H683 PolarHBondContact O-N 2.81Å; F681-H683 VanDerWaalsContact O-N 3.12Å
684	I	95	Very high	95.2	Very high	11 Å²	11	16.2 Å²	16.2	6%	0.056	8%	0.082	C	C	.	.			trans	-88	131.8	177.1	-58.6	-65.3	0	0	0	109.8	M315 S317 S650 G651 F681 P682	M315-I684 HydrophobicContact CB-CD1 3.82Å; S317-I684 VanDerWaalsContact OG-CD1 3.22Å; S317-I684 WeakPolarHBondContact OG-CD1 3.3Å; S317-I684 VanDerWaalsContact OG-CG1 3.23Å; S317-I684 WeakPolarHBondContact OG-CG1 3.21Å; S650-I684 WeakPolarHBondContact CA-O 3.42Å; G651-I684 PolarHBondContact N-O 3.01Å; F681-I684 HydrophobicContact CB-CB 4.1Å; F681-I684 HydrophobicContact CB-CG1 3.9Å; F681-I684 HydrophobicContact CD2-CB 4.29Å; F681-I684 HydrophobicContact CD2-CG1 4.28Å; F681-I684 HydrophobicContact CD2-CG2 4.22Å; F681-I684 PolarHBondContact O-N 2.84Å; P682-I684 PolarHBondContact O-N 2.9Å; P682-I684 VanDerWaalsContact O-N 3.12Å
685	S	95.3	Very high	94.9	Very high	25 Å²	25	16.4 Å²	16.4	18%	0.175	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.7	-176.6	-63	0	0	0	0	112.3	S540 L649 S650	S540-S685 WeakPolarHBondContact O-CB 3.28Å; L649-S685 CarbonylContact O-C 3.51Å; L649-S685 VanDerWaalsContact O-CA 3.24Å; L649-S685 WeakPolarHBondContact O-CA 3.26Å; S650-S685 WeakPolarHBondContact CB-OG 3.2Å
686	H	95.9	Very high	94.8	Very high	32 Å²	32	16 Å²	16	15%	0.148	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	138.2	-178.9	-63.4	-40.4	0	0	0	111.3	L649 Y670 I678 S679	L649-H686 PolarHBondContact N-O 2.89Å; L649-H686 PolarHBondContact O-N 2.89Å; Y670-H686 HydrophobicContact CE2-CB 4.28Å; Y670-H686 AromaticContact CE2-ND1 3.98Å; I678-H686 HydrophobicContact CD1-CB 3.7Å; I678-H686 VanDerWaalsContact CD1-CD2 3.46Å; I678-H686 WeakPolarHBondContact CD1-CD2 3.26Å; S679-H686 PolarHBondContact O-CD2 3.29Å; S679-H686 VanDerWaalsContact O-CD2 3.32Å; S679-H686 PolarHBondContact O-NE2 2.75Å
687	T	97.1	Very high	94.7	Very high	12 Å²	12	21.4 Å²	21.4	7%	0.074	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.4	164.6	-50.9	0	0	0	0	109.8	P536 C538 L539 S540 W647	P536-T687 HydrophobicContact CB-CG2 3.76Å; P536-T687 HydrophobicContact CG-CG2 3.82Å; C538-T687 WeakPolarHBondContact O-CB 3.45Å; C538-T687 WeakPolarHBondContact O-CG2 3.27Å; C538-T687 PolarHBondContact O-OG1 2.68Å; L539-T687 WeakPolarHBondContact CA-OG1 3.26Å; S540-T687 PolarHBondContact N-OG1 2.89Å; S540-T687 PolarHBondContact OG-OG1 2.89Å; S540-T687 VanDerWaalsContact OG-OG1 3.14Å; W647-T687 WeakPolarHBondContact O-CA 3.38Å
688	V	97.1	Very high	94.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	157.2	172.1	-52.5	0	0	0	0	111.3	W647 L649 F668 Y670 I678	W647-V688 HydrophobicContact CB-CG2 3.67Å; W647-V688 HydrophobicContact CG-CG2 4.38Å; W647-V688 PolarHBondContact N-O 2.75Å; W647-V688 PolarHBondContact O-N 2.89Å; L649-V688 HydrophobicContact CD1-CG1 4.37Å; L649-V688 HydrophobicContact CD1-CG2 3.95Å; F668-V688 HydrophobicContact CB-CB 4.16Å; F668-V688 HydrophobicContact CB-CG2 4.03Å; F668-V688 HydrophobicContact CD1-CG2 4.31Å; F668-V688 HydrophobicContact CD2-CB 3.57Å; F668-V688 HydrophobicContact CD2-CG1 3.68Å; F668-V688 HydrophobicContact CD2-CG2 3.89Å; F668-V688 HydrophobicContact CE2-CB 4.17Å; F668-V688 HydrophobicContact CE2-CG1 3.76Å; F668-V688 HydrophobicContact CE2-CG2 4.44Å; F668-V688 HydrophobicContact CG-CB 3.97Å; F668-V688 HydrophobicContact CG-CG1 4.45Å; F668-V688 HydrophobicContact CG-CG2 3.82Å; Y670-V688 HydrophobicContact CD2-CG1 3.98Å; Y670-V688 HydrophobicContact CG-CG1 4.37Å; I678-V688 HydrophobicContact CD1-CG1 3.88Å
689	T	97.1	Very high	94.6	Very high	30 Å²	30	22.6 Å²	22.6	18%	0.184	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.1	178.9	52.8	0	0	0	0	111	P536 Y577 T645 T646 F668 I669	P536-T689 HydrophobicContact CB-CG2 3.84Å; P536-T689 HydrophobicContact CG-CG2 3.66Å; Y577-T689 HydrophobicContact CE1-CG2 3.68Å; Y577-T689 WeakPolarHBondContact OH-CG2 3.11Å; T645-T689 CarbonylContact O-C 3.6Å; T645-T689 WeakPolarHBondContact O-CA 2.94Å; T646-T689 HydrophobicContact CG2-CG2 4.04Å; F668-T689 CarbonylContact C-O 3.52Å; F668-T689 VanDerWaalsContact CA-O 3.23Å; F668-T689 WeakPolarHBondContact CA-O 3.46Å; F668-T689 VanDerWaalsContact CB-O 3.3Å; F668-T689 WeakPolarHBondContact CB-O 3.42Å; I669-T689 PolarHBondContact N-O 2.72Å; I669-T689 PolarHBondContact O-N 3.02Å
690	M	96.1	Very high	94.6	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.03	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.3	-177.3	178.7	-176.4	-67.5	0	0	110.1	T645 F663 N666 F668	T645-M690 PolarHBondContact N-O 2.82Å; T645-M690 PolarHBondContact O-N 2.84Å; T645-M690 WeakPolarHBondContact OG1-CB 3.45Å; T645-M690 PolarHBondContact OG1-O 2.72Å; F663-M690 HydrophobicContact CB-CE 3.98Å; F663-M690 HydrophobicContact CD1-CE 3.66Å; F663-M690 HydrophobicContact CE1-CE 4.32Å; F663-M690 HydrophobicContact CG-CE 3.87Å; N666-M690 HydrophobicContact CB-CE 4.24Å; N666-M690 HydrophobicContact CB-SD 3.88Å; F668-M690 HydrophobicContact CB-CB 4.09Å; F668-M690 HydrophobicContact CB-CE 4.12Å; F668-M690 HydrophobicContact CD1-CE 4.18Å
691	E	94.9	Very high	94.6	Very high	104 Å²	104	22.4 Å²	22.4	49%	0.486	12%	0.118	S	C	.	.			trans	-125.5	93.8	167.4	-171.5	-179.3	135	0	0	106.7	D643 D693	D643-E691 WeakPolarHBondContact O-CA 3.39Å; E691-D693 PolarHBondContact O-N 3.33Å
692	P	92.6	Very high	94.7	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	12%	0.116	C	C	.	.			trans	-70.1	128.9	-169.4	30.3	-34.8	0	0	0	110	M639 C640 G642 D643 N666 V718	M639-P692 HydrophobicContact CG-CG 4.05Å; M639-P692 HydrophobicContact SD-CB 4.34Å; M639-P692 HydrophobicContact SD-CG 3.8Å; C640-P692 WeakPolarHBondContact O-CG 3.48Å; G642-P692 PolarHBondContact N-O 3.4Å; D643-P692 WeakPolarHBondContact O-CD 3.21Å; N666-P692 VanDerWaalsContact OD1-CA 3.27Å; N666-P692 WeakPolarHBondContact OD1-CA 3.4Å; N666-P692 WeakPolarHBondContact OD1-CB 3.49Å; P692-V718 HydrophobicContact CB-CG1 3.92Å; P692-V718 HydrophobicContact CB-CG2 3.82Å; P692-V718 HydrophobicContact CG-CG1 4.13Å; P692-V718 HydrophobicContact CG-CG2 4.42Å
693	D	89.6	Confident	94.6	Very high	18 Å²	18	23 Å²	23	10%	0.096	13%	0.125	C	C	.	.			trans	-116.8	-6.7	-174.4	74.3	-26	0	0	0	113.7	K641 N666 E691 K842 N864	K641-D693 WeakPolarHBondContact CE-O 3.32Å; K641-D693 PolarHBondContact NZ-O 2.87Å; N666-D693 PolarHBondContact OD1-N 3.41Å; E691-D693 PolarHBondContact O-N 3.33Å; D693-K842 PolarHBondContact O-NZ 2.81Å; D693-K842 IonicContact OD2-NZ 2.71Å; D693-N864 PolarHBondContact OD2-ND2 3.22Å
694	S	89.3	Confident	94.6	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.007	12%	0.123	C	C	.	.	S	Bend	trans	-109.2	120	175.3	-58.7	0	0	0	0	110	G665 N666 F698 V718	G665-S694 PolarHBondContact O-OG 2.72Å; N666-S694 PolarHBondContact OD1-N 2.86Å; S694-F698 WeakPolarHBondContact O-CE2 3.14Å; S694-V718 WeakPolarHBondContact O-CB 3.44Å; S694-V718 WeakPolarHBondContact O-CG1 3.33Å
695	M	90.4	Very high	94.5	Very high	33 Å²	33	22.4 Å²	22.4	16%	0.163	12%	0.123	C	C	.	.			trans	-83.1	147	173.8	-58.7	179.3	-67.7	0	0	110.8	K641 V718 K720 Q727	K641-M695 HydrophobicContact CB-CG 3.96Å; K641-M695 HydrophobicContact CB-SD 4.38Å; K641-M695 HydrophobicContact CD-CE 4.49Å; K641-M695 HydrophobicContact CD-CG 3.7Å; K641-M695 HydrophobicContact CD-SD 3.94Å; K641-M695 HydrophobicContact CG-CG 4.35Å; M695-V718 WeakPolarHBondContact CA-O 3.45Å; M695-K720 HydrophobicContact SD-CB 3.62Å; M695-K720 HydrophobicContact SD-CG 4.07Å; M695-Q727 VanDerWaalsContact CB-OE1 3.26Å; M695-Q727 HydrophobicContact CE-CB 3.56Å; M695-Q727 HydrophobicContact CE-CG 4.31Å; M695-Q727 PolarHBondContact O-NE2 3.17Å; M695-Q727 VanDerWaalsContact O-NE2 3.16Å
696	G	92.4	Very high	94.4	Very high	24 Å²	24	24 Å²	24	25%	0.247	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.6	-177.6	-179.5	0	0	0	0	0	112.4	V718	G696-V718 PolarHBondContact N-O 3.36Å; G696-V718 VanDerWaalsContact N-O 3.09Å; G696-V718 PolarHBondContact O-N 3.28Å
697	Q	94.4	Very high	94.3	Very high	117 Å²	117	22.5 Å²	22.5	55%	0.547	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.7	165.3	-173.5	172.8	43.7	0	0	107.7	N715 P846	Q697-N715 HydrophobicContact CG-CB 4.38Å; Q697-P846 VanDerWaalsContact O-CB 3.27Å; Q697-P846 WeakPolarHBondContact O-CB 3.4Å; Q697-P846 WeakPolarHBondContact O-CG 3.4Å
698	F	95.1	Very high	94.1	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.031	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	166	-178.8	-61	-82.8	0	0	0	108.7	Q664 S694 N715 Y716 V718 P846	Q664-F698 HydrophobicContact CB-CB 4.41Å; Q664-F698 WeakPolarHBondContact O-CB 3.46Å; Q664-F698 VanDerWaalsContact O-CD1 3.25Å; Q664-F698 WeakPolarHBondContact O-CD1 3.48Å; Q664-F698 WeakPolarHBondContact O-CG 3.36Å; S694-F698 WeakPolarHBondContact O-CE2 3.14Å; F698-N715 CarbonylContact O-C 3.6Å; F698-N715 WeakPolarHBondContact O-CA 3.47Å; F698-Y716 HydrophobicContact CB-CD1 3.87Å; F698-Y716 HydrophobicContact CB-CE1 3.27Å; F698-Y716 HydrophobicContact CB-CE2 4.06Å; F698-Y716 HydrophobicContact CB-CG 4.48Å; F698-Y716 HydrophobicContact CD2-CE2 4.04Å; F698-Y716 HydrophobicContact CG-CE1 4.28Å; F698-Y716 HydrophobicContact CG-CE2 4.39Å; F698-Y716 AromaticContact CG-CZ 3.91Å; F698-Y716 PolarHBondContact N-O 3.28Å; F698-Y716 PolarHBondContact O-N 3.23Å; F698-Y716 VanDerWaalsContact O-O 3.12Å; F698-V718 HydrophobicContact CD2-CG2 4.27Å; F698-V718 HydrophobicContact CE2-CB 4.43Å; F698-V718 HydrophobicContact CE2-CG2 4.29Å; F698-P846 HydrophobicContact CD1-CB 3.91Å; F698-P846 HydrophobicContact CD1-CG 4.2Å; F698-P846 HydrophobicContact CE1-CB 3.71Å; F698-P846 HydrophobicContact CE1-CG 3.69Å; F698-P846 HydrophobicContact CE2-CG 4.41Å; F698-P846 HydrophobicContact CZ-CB 4.34Å; F698-P846 HydrophobicContact CZ-CG 3.8Å
699	E	94.9	Very high	93.8	Very high	27 Å²	27	26.9 Å²	26.9	13%	0.126	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.2	172.4	-53.5	-174.9	158.1	0	0	111	R632 Q664 V701 A714	R632-E699 WeakPolarHBondContact CD-OE1 3.19Å; R632-E699 IonicContact CZ-OE1 3.71Å; R632-E699 IonicContact NE-OE1 3.79Å; R632-E699 IonicContact NH1-OE1 2.75Å; R632-E699 PolarHBondContact NH1-OE1 2.79Å; Q664-E699 WeakPolarHBondContact CB-O 3.27Å; Q664-E699 WeakPolarHBondContact CG-O 3.42Å; Q664-E699 PolarHBondContact N-O 3Å; E699-V701 HydrophobicContact CB-CG1 3.48Å; E699-V701 VanDerWaalsContact CB-CG1 3.48Å; E699-V701 HydrophobicContact CG-CG1 4.47Å; E699-V701 WeakPolarHBondContact OE2-CG1 3.45Å; E699-A714 CarbonylContact C-O 3.58Å; E699-A714 VanDerWaalsContact CA-O 3.31Å; E699-A714 WeakPolarHBondContact CA-O 3.45Å
700	V	96.8	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.6	152.8	59.5	0	0	0	0	106.9	L583 I626 L637 L661 Y662 F663 R713 A714 Y716	L583-V700 HydrophobicContact CD1-CG1 4.13Å; L583-V700 HydrophobicContact CD1-CG2 4.21Å; I626-V700 HydrophobicContact CD1-CG1 4.42Å; L637-V700 HydrophobicContact CD1-CG1 4.43Å; L661-V700 HydrophobicContact CB-CG2 4.43Å; L661-V700 HydrophobicContact CD2-CG2 4.39Å; Y662-V700 WeakPolarHBondContact O-CA 3.47Å; F663-V700 HydrophobicContact CD1-CB 4.18Å; F663-V700 HydrophobicContact CD1-CG2 4.11Å; F663-V700 HydrophobicContact CD2-CG2 4.13Å; F663-V700 HydrophobicContact CE1-CB 4.16Å; F663-V700 HydrophobicContact CE1-CG2 3.88Å; F663-V700 HydrophobicContact CE2-CG2 3.91Å; F663-V700 HydrophobicContact CG-CG2 4.24Å; F663-V700 HydrophobicContact CZ-CG2 3.78Å; V700-R713 WeakPolarHBondContact O-CA 3.26Å; V700-A714 HydrophobicContact CG1-CB 3.83Å; V700-A714 PolarHBondContact N-O 2.92Å; V700-A714 PolarHBondContact O-N 3.31Å; V700-Y716 HydrophobicContact CB-CD1 4.49Å
701	V	95.6	Very high	93.5	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.024	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.3	-172.6	-55.4	0	0	0	0	110.3	L661 Y662 E699 Y708 R713	L661-V701 WeakPolarHBondContact CA-O 3.49Å; Y662-V701 HydrophobicContact CD1-CG2 4.01Å; Y662-V701 PolarHBondContact N-O 3.38Å; Y662-V701 PolarHBondContact O-N 3.36Å; E699-V701 HydrophobicContact CB-CG1 3.48Å; E699-V701 VanDerWaalsContact CB-CG1 3.48Å; E699-V701 HydrophobicContact CG-CG1 4.47Å; E699-V701 WeakPolarHBondContact OE2-CG1 3.45Å; V701-Y708 HydrophobicContact CB-CD2 4.08Å; V701-Y708 HydrophobicContact CB-CE2 4.29Å; V701-Y708 HydrophobicContact CG1-CD2 4.48Å; V701-Y708 HydrophobicContact CG1-CE2 4.24Å; V701-Y708 HydrophobicContact CG2-CD2 4.35Å; V701-Y708 HydrophobicContact CG2-CE2 4.47Å; V701-R713 HydrophobicContact CB-CG 4.11Å; V701-R713 HydrophobicContact CG1-CB 3.93Å; V701-R713 HydrophobicContact CG1-CG 3.81Å
702	S	96.4	Very high	93.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	129.7	158.9	-169.6	0	0	0	0	109.4	S660 T704 H707 M712	S660-S702 CarbonylContact O-C 3.48Å; S660-S702 WeakPolarHBondContact O-CA 3.44Å; S702-T704 VanDerWaalsContact C-N 3.28Å; S702-T704 WeakPolarHBondContact OG-CB 3.15Å; S702-T704 PolarHBondContact OG-N 3.14Å; S702-H707 WeakPolarHBondContact OG-CB 3.37Å; S702-M712 PolarHBondContact N-O 2.96Å
703	A	94.7	Very high	93.7	Very high	23 Å²	23	21.2 Å²	21.2	19%	0.19	11%	0.109	C	C	.	.			trans	-80.4	-14.5	172.5	0	0	0	0	0	112.4	S660 V705 A1025	S660-A703 PolarHBondContact O-N 2.73Å; A703-V705 PolarHBondContact O-N 2.91Å; A703-A1025 HydrophobicContact CB-CB 3.48Å; A703-A1025 VanDerWaalsContact CB-CB 3.48Å
704	T	96	Very high	94.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-68.3	124.3	170.3	-46.7	0	0	0	0	108.9	I658 S702 D706 H707 Y708 E993 P1024	I658-T704 PolarHBondContact O-OG1 3.48Å; S702-T704 VanDerWaalsContact C-N 3.28Å; S702-T704 WeakPolarHBondContact OG-CB 3.15Å; S702-T704 PolarHBondContact OG-N 3.14Å; T704-D706 PolarHBondContact O-N 3.18Å; T704-H707 PolarHBondContact O-N 2.84Å; T704-Y708 PolarHBondContact O-N 3.07Å; T704-E993 HydrophobicContact CG2-CB 4.41Å; T704-E993 HydrophobicContact CG2-CG 3.6Å; T704-P1024 HydrophobicContact CG2-CG 4.36Å
705	V	92.8	Very high	94.4	Very high	7 Å²	7	22.2 Å²	22.2	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-57.7	-47.9	-166.9	163	0	0	0	0	113.8	A703 Y708 R709 T888 Y892 G991 N992	A703-V705 PolarHBondContact O-N 2.91Å; V705-Y708 WeakPolarHBondContact O-CB 3.34Å; V705-Y708 PolarHBondContact O-N 2.7Å; V705-R709 WeakPolarHBondContact O-CG 3.42Å; V705-R709 PolarHBondContact O-N 2.8Å; V705-T888 HydrophobicContact CB-CG2 4.35Å; V705-T888 HydrophobicContact CG1-CG2 3.31Å; V705-T888 HydrophobicContact CG2-CG2 4.04Å; V705-Y892 HydrophobicContact CG1-CE2 4.37Å; V705-Y892 HydrophobicContact CG2-CE2 4.14Å; V705-G991 WeakPolarHBondContact CG2-O 3.48Å; V705-G991 PolarHBondContact N-O 2.78Å; V705-N992 HydrophobicContact CB-CB 4.29Å
706	D	92.4	Very high	94.7	Very high	59 Å²	59	20.7 Å²	20.7	32%	0.316	11%	0.106	S	C	.	.	H	α-helix	trans	-72.9	-38	-175.5	-72.9	-14.2	0	0	0	111.9	H624 T704 Y708 R709 G710 N992	H624-D706 PolarHBondContact ND1-O 2.81Å; T704-D706 PolarHBondContact O-N 3.18Å; D706-Y708 VanDerWaalsContact C-N 3.32Å; D706-Y708 PolarHBondContact O-N 3.43Å; D706-R709 PolarHBondContact O-N 3.22Å; D706-G710 PolarHBondContact O-N 3.28Å; D706-N992 WeakPolarHBondContact CB-OD1 3.08Å; D706-N992 PolarHBondContact N-OD1 3.1Å; D706-N992 PolarHBondContact OD1-ND2 3.44Å; D706-N992 PolarHBondContact OD2-ND2 3.24Å; D706-N992 PolarHBondContact OD2-OD1 2.74Å
707	H	95.4	Very high	94.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.4	-43	168.8	-61.2	-18.1	0	0	0	112.4	H624 T656 I659 S702 T704 G711 M712 E993	H624-H707 WeakPolarHBondContact ND1-CA 3.43Å; H624-H707 AromaticContact ND1-ND1 3.87Å; T656-H707 PolarHBondContact O-CE1 2.81Å; T656-H707 PolarHBondContact O-NE2 3.2Å; I659-H707 VanDerWaalsContact CG1-CD2 3.48Å; I659-H707 WeakPolarHBondContact CG1-CD2 3.41Å; I659-H707 WeakPolarHBondContact CG1-NE2 3.24Å; S702-H707 WeakPolarHBondContact OG-CB 3.37Å; T704-H707 PolarHBondContact O-N 2.84Å; H707-G711 PolarHBondContact O-N 3.08Å; H707-M712 HydrophobicContact CB-CB 4.26Å; H707-M712 HydrophobicContact CB-CE 4.14Å; H707-M712 HydrophobicContact CB-SD 4.12Å; H707-M712 WeakPolarHBondContact O-CB 3.41Å; H707-M712 PolarHBondContact O-N 3.45Å; H707-E993 IonicContact CE1-OE1 3.5Å; H707-E993 PolarHBondContact CE1-OE1 3.43Å; H707-E993 IonicContact CG-OE1 2.75Å; H707-E993 IonicContact ND1-OE1 3.88Å; H707-E993 PolarHBondContact ND1-OE1 2.68Å; H707-E993 IonicContact NE2-OE1 3.39Å
708	Y	93	Very high	94.9	Very high	50 Å²	50	15.8 Å²	15.8	20%	0.196	8%	0.08	C	C	.	.	H	α-helix	trans	-58.8	-51.9	174	-178.7	-95.4	0	0	0	110.4	V701 T704 V705 D706 G711 R713	V701-Y708 HydrophobicContact CB-CD2 4.08Å; V701-Y708 HydrophobicContact CB-CE2 4.29Å; V701-Y708 HydrophobicContact CG1-CD2 4.48Å; V701-Y708 HydrophobicContact CG1-CE2 4.24Å; V701-Y708 HydrophobicContact CG2-CD2 4.35Å; V701-Y708 HydrophobicContact CG2-CE2 4.47Å; T704-Y708 PolarHBondContact O-N 3.07Å; V705-Y708 WeakPolarHBondContact O-CB 3.34Å; V705-Y708 PolarHBondContact O-N 2.7Å; D706-Y708 VanDerWaalsContact C-N 3.32Å; D706-Y708 PolarHBondContact O-N 3.43Å; Y708-G711 PolarHBondContact O-N 2.75Å; Y708-G711 VanDerWaalsContact O-N 3.16Å; Y708-R713 HydrophobicContact CD2-CG 4.07Å; Y708-R713 VanDerWaalsContact CE1-NH1 3.32Å; Y708-R713 VanDerWaalsContact CE2-CD 3.44Å; Y708-R713 HydrophobicContact CE2-CG 4.24Å; Y708-R713 PolarHBondContact O-NE 3.39Å; Y708-R713 PolarHBondContact O-NH2 3.44Å; Y708-R713 PolarHBondContact OH-NH1 3.43Å; Y708-R713 VanDerWaalsContact OH-NH1 3.08Å
709	R	90.4	Very high	94.8	Very high	54 Å²	54	20.1 Å²	20.1	20%	0.204	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-42.4	-179.4	-75	174.5	167.6	-171.5	-8.5	113.5	Y631 V705 D706 G711 T888 E930	Y631-R709 PolarHBondContact OH-O 3.4Å; V705-R709 WeakPolarHBondContact O-CG 3.42Å; V705-R709 PolarHBondContact O-N 2.8Å; D706-R709 PolarHBondContact O-N 3.22Å; R709-G711 PolarHBondContact O-N 2.88Å; R709-G711 VanDerWaalsContact O-N 3.14Å; R709-T888 VanDerWaalsContact NH2-CG2 3.26Å; R709-E930 IonicContact CZ-OE1 3.02Å; R709-E930 IonicContact CZ-OE2 2.71Å; R709-E930 IonicContact NH1-OE1 3.39Å; R709-E930 PolarHBondContact NH1-OE1 3.47Å; R709-E930 IonicContact NH1-OE2 3.5Å; R709-E930 PolarHBondContact NH1-OE2 2.84Å; R709-E930 IonicContact NH2-OE1 3.08Å; R709-E930 IonicContact NH2-OE2 3.55Å; R709-E930 PolarHBondContact NH2-OE2 3.29Å
710	G	92.8	Very high	94.6	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.021	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-6.2	176	0	0	0	0	0	114.7	Y631 D706	Y631-G710 WeakPolarHBondContact CE2-O 3.46Å; Y631-G710 PolarHBondContact OH-O 3.13Å; D706-G710 PolarHBondContact O-N 3.28Å
711	G	94.1	Very high	94.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	105	15.5	168.5	0	0	0	0	0	115.3	H624 V630 Y631 H707 Y708 R709 R713	H624-G711 CarbonylContact O-C 3.5Å; V630-G711 CarbonylContact C-O 3.52Å; Y631-G711 PolarHBondContact N-O 2.92Å; H707-G711 PolarHBondContact O-N 3.08Å; Y708-G711 PolarHBondContact O-N 2.75Å; Y708-G711 VanDerWaalsContact O-N 3.16Å; R709-G711 PolarHBondContact O-N 2.88Å; R709-G711 VanDerWaalsContact O-N 3.14Å; G711-R713 PolarHBondContact O-N 3.25Å
712	M	96.9	Very high	93.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.			trans	-73.9	71.5	179.1	-164.4	-178.8	-68.9	0	0	111.9	A585 V587 H624 I626 I659 S702 H707	A585-M712 HydrophobicContact CB-SD 3.94Å; V587-M712 HydrophobicContact CG2-CE 4.32Å; H624-M712 HydrophobicContact CB-CB 4.2Å; H624-M712 HydrophobicContact CB-CE 4.17Å; H624-M712 WeakPolarHBondContact O-CA 3.41Å; H624-M712 WeakPolarHBondContact O-CB 3.37Å; H624-M712 PolarHBondContact O-N 3.47Å; H624-M712 VanDerWaalsContact O-N 3.13Å; I626-M712 HydrophobicContact CD1-CG 4.22Å; I626-M712 HydrophobicContact CG1-CG 3.69Å; I659-M712 HydrophobicContact CB-SD 4.32Å; I659-M712 HydrophobicContact CD1-CE 3.74Å; I659-M712 HydrophobicContact CD1-SD 4Å; I659-M712 HydrophobicContact CG1-CE 4.03Å; I659-M712 HydrophobicContact CG1-SD 3.97Å; I659-M712 HydrophobicContact CG2-SD 3.39Å; I659-M712 WeakPolarHBondContact CG2-SD 3.32Å; S702-M712 PolarHBondContact N-O 2.96Å; H707-M712 HydrophobicContact CB-CB 4.26Å; H707-M712 HydrophobicContact CB-CE 4.14Å; H707-M712 HydrophobicContact CB-SD 4.12Å; H707-M712 WeakPolarHBondContact O-CB 3.41Å; H707-M712 PolarHBondContact O-N 3.45Å
713	R	94.7	Very high	92.4	Very high	20 Å²	20	36.9 Å²	36.9	8%	0.075	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	136.5	-173.4	-50.4	-178.4	-142.9	170.2	9.3	110.5	R632 V700 V701 Y708 G711	R632-R713 WeakPolarHBondContact CA-O 3.34Å; R632-R713 HydrophobicContact CG-CB 4.44Å; R632-R713 PolarHBondContact N-O 3.4Å; V700-R713 WeakPolarHBondContact O-CA 3.26Å; V701-R713 HydrophobicContact CB-CG 4.11Å; V701-R713 HydrophobicContact CG1-CB 3.93Å; V701-R713 HydrophobicContact CG1-CG 3.81Å; Y708-R713 HydrophobicContact CD2-CG 4.07Å; Y708-R713 VanDerWaalsContact CE1-NH1 3.32Å; Y708-R713 VanDerWaalsContact CE2-CD 3.44Å; Y708-R713 HydrophobicContact CE2-CG 4.24Å; Y708-R713 PolarHBondContact O-NE 3.39Å; Y708-R713 PolarHBondContact O-NH2 3.44Å; Y708-R713 PolarHBondContact OH-NH1 3.43Å; Y708-R713 VanDerWaalsContact OH-NH1 3.08Å; G711-R713 PolarHBondContact O-N 3.25Å
714	A	96.7	Very high	91.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.1	175.9	0	0	0	0	0	111.9	I626 L634 L637 E699 V700	I626-A714 HydrophobicContact CD1-CB 4.14Å; L634-A714 HydrophobicContact CB-CB 3.76Å; L634-A714 HydrophobicContact CD2-CB 3.59Å; L634-A714 HydrophobicContact CG-CB 4.22Å; L637-A714 HydrophobicContact CD1-CB 4.25Å; E699-A714 CarbonylContact C-O 3.58Å; E699-A714 VanDerWaalsContact CA-O 3.31Å; E699-A714 WeakPolarHBondContact CA-O 3.45Å; V700-A714 HydrophobicContact CG1-CB 3.83Å; V700-A714 PolarHBondContact N-O 2.92Å; V700-A714 PolarHBondContact O-N 3.31Å
715	N	96.7	Very high	90.2	Very high	40 Å²	40	47.8 Å²	47.8	21%	0.214	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134.8	175.9	-70.5	-18.4	0	0	0	110.3	R632 Q697 F698	R632-N715 WeakPolarHBondContact CD-OD1 3.4Å; Q697-N715 HydrophobicContact CG-CB 4.38Å; F698-N715 CarbonylContact O-C 3.6Å; F698-N715 WeakPolarHBondContact O-CA 3.47Å
716	Y	96.8	Very high	89.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	144.8	165.5	79.2	-84.9	0	0	0	110.7	L637 M639 F663 Q664 N666 F698 V700 V718	L637-Y716 WeakPolarHBondContact O-CA 3.5Å; M639-Y716 HydrophobicContact CE-CD2 4.15Å; F663-Y716 HydrophobicContact CD1-CE1 4.41Å; Q664-Y716 PolarHBondContact O-OH 3.12Å; N666-Y716 PolarHBondContact ND2-OH 2.9Å; F698-Y716 HydrophobicContact CB-CD1 3.87Å; F698-Y716 HydrophobicContact CB-CE1 3.27Å; F698-Y716 HydrophobicContact CB-CE2 4.06Å; F698-Y716 HydrophobicContact CB-CG 4.48Å; F698-Y716 HydrophobicContact CD2-CE2 4.04Å; F698-Y716 HydrophobicContact CG-CE1 4.28Å; F698-Y716 HydrophobicContact CG-CE2 4.39Å; F698-Y716 AromaticContact CG-CZ 3.91Å; F698-Y716 PolarHBondContact N-O 3.28Å; F698-Y716 PolarHBondContact O-N 3.23Å; F698-Y716 VanDerWaalsContact O-O 3.12Å; V700-Y716 HydrophobicContact CB-CD1 4.49Å; Y716-V718 HydrophobicContact CD2-CG2 4.09Å; Y716-V718 HydrophobicContact CE2-CG2 3.78Å
717	T	96.3	Very high	88.1	Confident	35 Å²	35	56.2 Å²	56.2	22%	0.215	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.4	-173.4	-54.9	0	0	0	0	111.1	L637 M639 Q719	L637-T717 PolarHBondContact O-N 3.34Å; M639-T717 PolarHBondContact N-O 3.39Å; T717-Q719 HydrophobicContact CG2-CG 3.79Å
718	V	94.9	Very high	86.8	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	107.8	173.1	-176.1	0	0	0	0	109.1	M639 K641 P692 S694 M695 G696 F698 Y716	M639-V718 HydrophobicContact CG-CG2 4.14Å; M639-V718 WeakPolarHBondContact O-CA 3.21Å; K641-V718 HydrophobicContact CB-CG1 4.04Å; P692-V718 HydrophobicContact CB-CG1 3.92Å; P692-V718 HydrophobicContact CB-CG2 3.82Å; P692-V718 HydrophobicContact CG-CG1 4.13Å; P692-V718 HydrophobicContact CG-CG2 4.42Å; S694-V718 WeakPolarHBondContact O-CB 3.44Å; S694-V718 WeakPolarHBondContact O-CG1 3.33Å; M695-V718 WeakPolarHBondContact CA-O 3.45Å; G696-V718 PolarHBondContact N-O 3.36Å; G696-V718 VanDerWaalsContact N-O 3.09Å; G696-V718 PolarHBondContact O-N 3.28Å; F698-V718 HydrophobicContact CD2-CG2 4.27Å; F698-V718 HydrophobicContact CE2-CB 4.43Å; F698-V718 HydrophobicContact CE2-CG2 4.29Å; Y716-V718 HydrophobicContact CD2-CG2 4.09Å; Y716-V718 HydrophobicContact CE2-CG2 3.78Å
719	Q	93	Very high	85.7	Confident	98 Å²	98	61.4 Å²	61.4	46%	0.458	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	158.1	-174.8	-61.7	-174.8	-9.1	0	0	112.9	T638 M639 K641 T717 C721	T638-Q719 HydrophobicContact CG2-CG 4.08Å; M639-Q719 PolarHBondContact O-N 2.95Å; K641-Q719 PolarHBondContact N-O 3.48Å; T717-Q719 HydrophobicContact CG2-CG 3.79Å; Q719-C721 PolarHBondContact O-N 2.85Å
720	K	89.6	Confident	84.9	Confident	121 Å²	121	65.5 Å²	65.5	53%	0.526	34%	0.335	S	S	.	.			trans	-81.9	111.1	167.3	-173.6	178.4	174.6	172.1	0	109.5	M695 G722 L723 Q725	M695-K720 HydrophobicContact SD-CB 3.62Å; M695-K720 HydrophobicContact SD-CG 4.07Å; K720-G722 WeakPolarHBondContact CE-O 3.26Å; K720-L723 PolarHBondContact NZ-O 3.33Å; K720-Q725 WeakPolarHBondContact CE-O 3.36Å; K720-Q725 HydrophobicContact CG-CB 4.26Å; K720-Q725 PolarHBondContact NZ-O 2.96Å; K720-Q725 VanDerWaalsContact NZ-O 3.17Å
721	C	87.8	Confident	84.4	Confident	74 Å²	74	67.2 Å²	67.2	50%	0.5	34%	0.343	S	S	.	.			trans	-110.5	-11.1	179.5	-57.1	0	0	0	0	113.4	C640 Q719 Q725	C640-C721 HydrophobicContact CB-CB 3.54Å; C640-C721 WeakPolarHBondContact CB-SG 3.46Å; C640-C721 WeakPolarHBondContact SG-CB 3.28Å; C640-C721 CovalentContact SG-SG 2.02Å; C640-C721 PolarHBondContact SG-SG 3.26Å; Q719-C721 PolarHBondContact O-N 2.85Å; C721-Q725 VanDerWaalsContact N-OE1 3.11Å
722	G	82.6	Confident	83.6	Confident	27 Å²	27	74.5 Å²	74.5	28%	0.278	38%	0.381	S	S	.	.	S	Bend	trans	-120.7	141.1	178	0	0	0	0	0	114.1	K720 F724 Q725	K720-G722 WeakPolarHBondContact CE-O 3.26Å; G722-F724 VanDerWaalsContact C-N 3.3Å; G722-F724 PolarHBondContact O-N 3.25Å; G722-Q725 WeakPolarHBondContact O-CB 3.46Å; G722-Q725 PolarHBondContact O-N 2.84Å
723	L	72.8	Confident	83	Confident	162 Å²	162	78.9 Å²	78.9	85%	0.848	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-39.8	178.7	-88	150.5	0	0	0	113.4	K720 Q725	K720-L723 PolarHBondContact NZ-O 3.33Å; L723-Q725 VanDerWaalsContact C-N 3.34Å
724	F	72.6	Confident	82.9	Confident	203 Å²	203	81.7 Å²	81.7	89%	0.89	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-4	-177.1	-61.9	-73.7	0	0	0	114.5	G722 R726	G722-F724 VanDerWaalsContact C-N 3.3Å; G722-F724 PolarHBondContact O-N 3.25Å; F724-R726 PolarHBondContact O-N 2.7Å
725	Q	72.9	Confident	82.7	Confident	49 Å²	49	85 Å²	85	23%	0.229	44%	0.439	C	S	.	.			trans	-74.1	119.7	178.2	-66.8	177.4	-25.2	0	0	110	K641 K720 C721 G722 L723	K641-Q725 PolarHBondContact O-NE2 2.88Å; K720-Q725 WeakPolarHBondContact CE-O 3.36Å; K720-Q725 HydrophobicContact CG-CB 4.26Å; K720-Q725 PolarHBondContact NZ-O 2.96Å; K720-Q725 VanDerWaalsContact NZ-O 3.17Å; C721-Q725 VanDerWaalsContact N-OE1 3.11Å; G722-Q725 WeakPolarHBondContact O-CB 3.46Å; G722-Q725 PolarHBondContact O-N 2.84Å; L723-Q725 VanDerWaalsContact C-N 3.34Å
726	R	71.1	Confident	82.7	Confident	198 Å²	198	85.9 Å²	85.9	75%	0.747	45%	0.446	S	S	*	.			trans	-110.4	147	173.3	-65.7	-175.6	177.5	-175.6	-0.9	109.9	K641 F724	K641-R726 PolarHBondContact NZ-O 3.32Å; F724-R726 PolarHBondContact O-N 2.7Å
727	Q	69.8	Low	82.8	Confident	44 Å²	44	87.2 Å²	87.2	21%	0.206	45%	0.451	C	S	.	.	S	Bend	trans	-78.5	-41.2	172.4	-171.2	71.9	-11.3	0	0	110.9	M695 E844	M695-Q727 VanDerWaalsContact CB-OE1 3.26Å; M695-Q727 HydrophobicContact CE-CB 3.56Å; M695-Q727 HydrophobicContact CE-CG 4.31Å; M695-Q727 PolarHBondContact O-NE2 3.17Å; M695-Q727 VanDerWaalsContact O-NE2 3.16Å; Q727-E844 PolarHBondContact NE2-O 2.98Å
728	S	66.8	Low	82.9	Confident	95 Å²	95	88.4 Å²	88.4	66%	0.664	45%	0.452	S	S	*	.			trans	-72	132.8	-174.9	50.3	0	0	0	0	112.6
729	E	70.3	Confident	83	Confident	65 Å²	65	88.3 Å²	88.3	30%	0.304	45%	0.452	S	S	.	.			trans	-113.4	136.8	172.1	-76.8	-179.3	-170.8	0	0	110.3	M731 K842 N864	E729-M731 HydrophobicContact CB-CE 3.99Å; E729-M731 WeakPolarHBondContact OE2-CE 3.44Å; E729-K842 IonicContact OE1-NZ 3.59Å; E729-K842 PolarHBondContact OE1-NZ 3.39Å; E729-K842 IonicContact OE2-NZ 3.95Å; E729-N864 PolarHBondContact OE1-ND2 2.93Å; E729-N864 VanDerWaalsContact OE1-ND2 3.16Å; E729-N864 WeakPolarHBondContact OE2-CB 3.06Å; E729-N864 PolarHBondContact OE2-ND2 3.31Å; E729-N864 VanDerWaalsContact OE2-ND2 3.09Å
730	V	73.5	Confident	83.3	Confident	139 Å²	139	83.6 Å²	83.6	84%	0.842	43%	0.43	S	S	*	.			trans	-89.7	114.3	175.6	-179.3	0	0	0	0	108.4
731	M	82.6	Confident	83.7	Confident	38 Å²	38	77.9 Å²	77.9	19%	0.187	41%	0.405	C	S	.	.			trans	-99.3	134.2	175.6	-62.1	-57.8	178.3	0	0	110.5	E729 K821 Y862 N864	E729-M731 HydrophobicContact CB-CE 3.99Å; E729-M731 WeakPolarHBondContact OE2-CE 3.44Å; M731-K821 HydrophobicContact CB-CB 3.76Å; M731-K821 HydrophobicContact CG-CB 4.03Å; M731-Y862 HydrophobicContact CE-CD1 4.05Å; M731-Y862 HydrophobicContact CE-CG 4.48Å; M731-Y862 HydrophobicContact CG-CD1 3.81Å; M731-Y862 HydrophobicContact CG-CE1 4.41Å; M731-N864 HydrophobicContact CE-CB 3.81Å
732	L	76.9	Confident	84.2	Confident	154 Å²	154	75.2 Å²	75.2	81%	0.806	39%	0.386	S	S	*	.	S	Bend	trans	-83.4	-20.9	-176.3	-70.3	168.8	0	0	0	113.3
733	H	85.6	Confident	85	Confident	92 Å²	92	76.4 Å²	76.4	43%	0.426	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.3	-176	-62.2	67.2	0	0	0	109.4	K821 R904	H733-K821 PolarHBondContact O-N 3.5Å; H733-R904 VanDerWaalsContact CB-NH2 3.3Å; H733-R904 PolarHBondContact CD2-NH2 2.57Å; H733-R904 PolarHBondContact CE1-NH1 2.98Å; H733-R904 PolarHBondContact ND1-NH1 3.04Å; H733-R904 VanDerWaalsContact ND1-NH1 3.12Å; H733-R904 PolarHBondContact ND1-NH2 3.01Å
734	S	90.8	Very high	86.1	Confident	78 Å²	78	70.6 Å²	70.6	55%	0.545	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.5	178.9	-168.5	0	0	0	0	110.1	K821	S734-K821 CarbonylContact C-O 3.51Å; S734-K821 VanDerWaalsContact CA-O 3.24Å; S734-K821 WeakPolarHBondContact CA-O 3.44Å; S734-K821 PolarHBondContact OG-O 3.26Å
735	K	94	Very high	87.3	Confident	70 Å²	70	66 Å²	66	30%	0.304	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.5	170.6	-72.3	-179.8	173.9	168.2	0	109.2	F737 H815 D820 K821 K823	K735-F737 HydrophobicContact CB-CE2 3.93Å; K735-H815 WeakPolarHBondContact CD-O 3.42Å; K735-H815 PolarHBondContact NZ-O 3.04Å; K735-D820 WeakPolarHBondContact CD-OD2 3.32Å; K735-D820 WeakPolarHBondContact CE-OD2 3.25Å; K735-D820 IonicContact NZ-OD2 2.66Å; K735-D820 PolarHBondContact NZ-OD2 3.01Å; K735-D820 VanDerWaalsContact NZ-OD2 3.08Å; K735-K821 PolarHBondContact N-O 3.24Å; K735-K823 PolarHBondContact O-N 2.93Å
736	T	96.5	Very high	88.6	Confident	59 Å²	59	64.8 Å²	64.8	36%	0.362	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.5	179.6	-55.4	0	0	0	0	110	Y738 K823 V825	T736-Y738 HydrophobicContact CG2-CE1 4.12Å; T736-Y738 HydrophobicContact CG2-CE2 4.15Å; T736-K823 CarbonylContact C-O 3.58Å; T736-K823 VanDerWaalsContact CA-O 3.28Å; T736-K823 WeakPolarHBondContact CA-O 3.48Å; T736-K823 HydrophobicContact CG2-CB 4.39Å; T736-K823 HydrophobicContact CG2-CD 4.09Å; T736-K823 HydrophobicContact CG2-CG 4.29Å; T736-V825 HydrophobicContact CG2-CG2 4Å
737	F	97.6	Very high	89.8	Confident	28 Å²	28	57.5 Å²	57.5	12%	0.123	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138.3	173.4	-61.7	-96.5	0	0	0	109.2	K735 I739 I814 V822 K823 I824 V825	K735-F737 HydrophobicContact CB-CE2 3.93Å; F737-I739 HydrophobicContact CB-CD1 4.27Å; F737-I739 HydrophobicContact CB-CG1 4.27Å; F737-I814 HydrophobicContact CD2-CG2 4.11Å; F737-I814 HydrophobicContact CE1-CG2 4.43Å; F737-I814 HydrophobicContact CE2-CG2 3.77Å; F737-I814 HydrophobicContact CZ-CG2 3.95Å; F737-V822 HydrophobicContact CD2-CG1 3.9Å; F737-V822 HydrophobicContact CE2-CG1 4Å; F737-K823 PolarHBondContact N-O 3.1Å; F737-I824 HydrophobicContact CB-CD1 3.8Å; F737-I824 HydrophobicContact CD2-CD1 3.92Å; F737-I824 HydrophobicContact CG-CD1 4.19Å; F737-V825 PolarHBondContact O-N 3.42Å
738	Y	98.3	Very high	91.2	Very high	60 Å²	60	55.4 Å²	55.4	24%	0.235	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	109.7	175.2	-51.7	-87.5	0	0	0	107.5	T736 Q788 F789 N791 D792 V825	T736-Y738 HydrophobicContact CG2-CE1 4.12Å; T736-Y738 HydrophobicContact CG2-CE2 4.15Å; Y738-Q788 CarbonylContact O-C 3.56Å; Y738-Q788 WeakPolarHBondContact O-CA 3.44Å; Y738-F789 PolarHBondContact O-N 3.15Å; Y738-N791 VanDerWaalsContact CD2-CA 3.49Å; Y738-N791 VanDerWaalsContact CG-C 3.41Å; Y738-D792 HydrophobicContact CD1-CB 4.03Å; Y738-D792 HydrophobicContact CE1-CB 3.77Å; Y738-D792 VanDerWaalsContact CE1-N 3.29Å; Y738-V825 WeakPolarHBondContact CA-O 3.35Å; Y738-V825 HydrophobicContact CD1-CB 3.74Å; Y738-V825 HydrophobicContact CD1-CG1 4.11Å; Y738-V825 HydrophobicContact CD1-CG2 4.05Å; Y738-V825 HydrophobicContact CE1-CB 4.2Å; Y738-V825 HydrophobicContact CE1-CG2 4.01Å
739	I	98.4	Very high	92.7	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	141.9	-173.4	-61.4	179	0	0	0	108.5	F737 Y786 Q787 F794 P812 I814 I824 V825 F826 K827 I836	F737-I739 HydrophobicContact CB-CD1 4.27Å; F737-I739 HydrophobicContact CB-CG1 4.27Å; I739-Y786 HydrophobicContact CG2-CD1 3.9Å; I739-Y786 HydrophobicContact CG2-CG 4.28Å; I739-Q787 CarbonylContact C-O 3.48Å; I739-Q787 WeakPolarHBondContact CA-O 3.33Å; I739-F794 WeakPolarHBondContact O-CE1 3.48Å; I739-P812 HydrophobicContact CD1-CG 4.07Å; I739-P812 HydrophobicContact CG1-CG 4.31Å; I739-I814 HydrophobicContact CD1-CD1 3.65Å; I739-I814 HydrophobicContact CD1-CG1 4.24Å; I739-I824 HydrophobicContact CB-CG2 4.36Å; I739-I824 HydrophobicContact CD1-CD1 4.4Å; I739-I824 HydrophobicContact CD1-CG2 4.15Å; I739-I824 HydrophobicContact CG1-CG2 4.44Å; I739-V825 PolarHBondContact N-O 3.47Å; I739-F826 HydrophobicContact CG2-CD2 4.34Å; I739-F826 CarbonylContact O-C 3.57Å; I739-F826 WeakPolarHBondContact O-CA 3.44Å; I739-F826 WeakPolarHBondContact O-CD2 3.39Å; I739-K827 PolarHBondContact O-N 3.18Å; I739-I836 HydrophobicContact CD1-CD1 4.24Å; I739-I836 HydrophobicContact CG2-CD1 4.25Å
740	A	98.4	Very high	93.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.5	171.8	0	0	0	0	0	111.6	V742 Y786 Q787 F789 F794 K827 M829	A740-V742 HydrophobicContact CB-CG2 4.15Å; A740-Y786 CarbonylContact O-C 3.54Å; A740-Y786 WeakPolarHBondContact O-CA 3.36Å; A740-Q787 PolarHBondContact N-O 3.4Å; A740-Q787 PolarHBondContact O-N 2.86Å; A740-F789 HydrophobicContact CB-CD2 4.06Å; A740-F789 HydrophobicContact CB-CE2 3.67Å; A740-F794 HydrophobicContact CB-CD1 4.04Å; A740-F794 HydrophobicContact CB-CE1 4.26Å; A740-K827 WeakPolarHBondContact CA-O 3.24Å; A740-K827 HydrophobicContact CB-CB 4.25Å; A740-K827 WeakPolarHBondContact CB-O 3.37Å; A740-M829 HydrophobicContact CB-CE 4.42Å; A740-M829 HydrophobicContact CB-CG 4.17Å; A740-M829 HydrophobicContact CB-SD 4.19Å
741	A	98.5	Very high	95	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.1	164.9	0	0	0	0	0	108.6	V784 V785 F826 K827 M829 A830 Y834 L895	A741-V784 HydrophobicContact CB-CG2 4.02Å; A741-V785 WeakPolarHBondContact CA-O 3.24Å; A741-F826 HydrophobicContact CB-CE2 3.9Å; A741-F826 HydrophobicContact CB-CZ 3.65Å; A741-K827 PolarHBondContact N-O 3Å; A741-K827 VanDerWaalsContact N-O 3.15Å; A741-M829 CarbonylContact O-C 3.52Å; A741-M829 WeakPolarHBondContact O-CA 3.34Å; A741-M829 WeakPolarHBondContact O-CB 3.44Å; A741-M829 PolarHBondContact O-N 2.78Å; A741-A830 PolarHBondContact O-N 3.31Å; A741-Y834 HydrophobicContact CB-CD2 4.28Å; A741-L895 HydrophobicContact CB-CD2 4.14Å
742	V	98.3	Very high	95.6	Very high	19 Å²	19	51 Å²	51	12%	0.115	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.6	-173.2	-176.9	0	0	0	0	109.7	A740 I744 V784 V785 Q787 F789 M829	A740-V742 HydrophobicContact CB-CG2 4.15Å; V742-I744 HydrophobicContact CG1-CG2 4.2Å; V742-V784 WeakPolarHBondContact O-CA 3.33Å; V742-V785 PolarHBondContact N-O 3.24Å; V742-V785 PolarHBondContact O-N 3.32Å; V742-Q787 HydrophobicContact CG2-CB 4.37Å; V742-Q787 HydrophobicContact CG2-CG 4.46Å; V742-F789 HydrophobicContact CG2-CE2 4.45Å; V742-M829 HydrophobicContact CG2-SD 4.18Å
743	E	98.5	Very high	96.4	Very high	52 Å²	52	47.9 Å²	47.9	24%	0.243	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	131.4	173.2	-63	-177.3	175.8	0	0	110.6	K782 K783 V784 A830 S831 Y933	E743-K782 WeakPolarHBondContact OE2-CE 3.47Å; E743-K782 IonicContact OE2-NZ 3.36Å; E743-K782 PolarHBondContact OE2-NZ 3.46Å; E743-K783 CarbonylContact C-O 3.49Å; E743-K783 VanDerWaalsContact CA-O 3.24Å; E743-K783 WeakPolarHBondContact CA-O 3.5Å; E743-V784 HydrophobicContact CG-CB 4.4Å; E743-V784 HydrophobicContact CG-CG2 4.42Å; E743-A830 HydrophobicContact CG-CB 3.79Å; E743-S831 VanDerWaalsContact OE1-CB 3.27Å; E743-S831 WeakPolarHBondContact OE1-CB 3.32Å; E743-S831 PolarHBondContact OE1-N 2.82Å; E743-S831 PolarHBondContact OE1-OG 2.73Å; E743-Y933 VanDerWaalsContact CD-OH 3.31Å; E743-Y933 HydrophobicContact CG-CE1 4.26Å; E743-Y933 WeakPolarHBondContact CG-OH 3.38Å; E743-Y933 WeakPolarHBondContact OE1-CE1 3.5Å; E743-Y933 PolarHBondContact OE1-OH 2.64Å
744	I	97.6	Very high	96.9	Very high	40 Å²	40	44.7 Å²	44.7	21%	0.205	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	159.9	180	64.6	169.3	0	0	0	110.3	V742 W746 K782 K783 V785	V742-I744 HydrophobicContact CG1-CG2 4.2Å; I744-W746 HydrophobicContact CD1-CE3 3.75Å; I744-W746 HydrophobicContact CD1-CZ3 4.42Å; I744-K782 WeakPolarHBondContact O-CA 3.38Å; I744-K783 PolarHBondContact N-O 2.89Å; I744-K783 PolarHBondContact O-N 3.06Å; I744-V785 HydrophobicContact CD1-CB 4.45Å; I744-V785 HydrophobicContact CD1-CG1 3.91Å; I744-V785 HydrophobicContact CD1-CG2 3.63Å; I744-V785 HydrophobicContact CG1-CG1 4.3Å; I744-V785 HydrophobicContact CG1-CG2 4.05Å; I744-V785 HydrophobicContact CG2-CG2 4.34Å
745	D	98	Very high	97.1	Very high	105 Å²	105	41.2 Å²	41.2	56%	0.561	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.6	160.7	-63	-35.8	0	0	0	107.4	I780 R940	D745-I780 HydrophobicContact CB-CG2 4.33Å; D745-R940 IonicContact OD1-NH1 3.92Å; D745-R940 PolarHBondContact OD1-NH1 2.91Å; D745-R940 IonicContact OD2-NH1 2.76Å
746	W	98.3	Very high	97.1	Very high	24 Å²	24	40.5 Å²	40.5	9%	0.091	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	129	179.8	-174.7	-98.2	0	0	0	109.4	I744 Y748 I780 Y781 K783 I809 G966 Y967	I744-W746 HydrophobicContact CD1-CE3 3.75Å; I744-W746 HydrophobicContact CD1-CZ3 4.42Å; W746-Y748 AromaticContact CD1-CD1 3.97Å; W746-Y748 AromaticContact CD1-CD2 3.87Å; W746-Y748 AromaticContact CD1-CE1 3.98Å; W746-Y748 AromaticContact CD1-CE2 3.87Å; W746-Y748 AromaticContact CD1-CG 3.92Å; W746-Y748 AromaticContact CD1-CZ 3.93Å; W746-Y748 AromaticContact NE1-CD1 3.77Å; W746-Y748 AromaticContact NE1-CE1 3.94Å; W746-I780 WeakPolarHBondContact O-CA 3.41Å; W746-Y781 PolarHBondContact N-O 2.66Å; W746-Y781 PolarHBondContact O-N 3.14Å; W746-K783 HydrophobicContact CB-CB 4.21Å; W746-K783 HydrophobicContact CB-CD 3.56Å; W746-K783 HydrophobicContact CB-CG 3.84Å; W746-K783 HydrophobicContact CG-CD 3.82Å; W746-I809 HydrophobicContact CD2-CB 4.36Å; W746-I809 HydrophobicContact CD2-CD1 4.33Å; W746-I809 HydrophobicContact CD2-CG1 4.22Å; W746-I809 HydrophobicContact CE3-CG1 4.42Å; W746-I809 HydrophobicContact CG-CD1 4.36Å; W746-I809 HydrophobicContact CH2-CB 4.02Å; W746-I809 HydrophobicContact CZ2-CB 3.75Å; W746-I809 HydrophobicContact CZ2-CG1 4.49Å; W746-I809 HydrophobicContact CZ3-CB 4.4Å; W746-G966 PolarHBondContact NE1-O 3.13Å; W746-Y967 HydrophobicContact CH2-CE1 4.2Å; W746-Y967 AromaticContact CH2-CE2 3.79Å; W746-Y967 HydrophobicContact CH2-CE2 3.79Å; W746-Y967 AromaticContact CH2-CZ 3.5Å; W746-Y967 VanDerWaalsContact CH2-OH 3.31Å; W746-Y967 WeakPolarHBondContact CH2-OH 3.4Å; W746-Y967 HydrophobicContact CZ2-CD1 4.29Å; W746-Y967 HydrophobicContact CZ2-CD2 4.2Å; W746-Y967 AromaticContact CZ2-CE1 3.77Å; W746-Y967 HydrophobicContact CZ2-CE1 3.77Å; W746-Y967 AromaticContact CZ2-CE2 3.71Å; W746-Y967 HydrophobicContact CZ2-CE2 3.71Å; W746-Y967 HydrophobicContact CZ2-CG 4.49Å; W746-Y967 AromaticContact CZ2-CZ 3.47Å; W746-Y967 VanDerWaalsContact CZ2-CZ 3.47Å
747	D	98.2	Very high	97	Very high	46 Å²	46	42.1 Å²	42.1	25%	0.246	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.7	173.9	-168.1	-15.5	0	0	0	108.6	S749 P750 S779 I780	D747-S749 PolarHBondContact O-N 2.72Å; D747-S749 VanDerWaalsContact OD1-C 3.29Å; D747-S749 PolarHBondContact OD1-N 2.71Å; D747-P750 HydrophobicContact CB-CB 4.41Å; D747-P750 WeakPolarHBondContact O-CD 3.44Å; D747-P750 WeakPolarHBondContact OD2-CA 3.31Å; D747-S779 WeakPolarHBondContact CA-O 3.28Å; D747-S779 WeakPolarHBondContact OD1-CB 3.49Å; D747-S779 PolarHBondContact OD1-OG 3.29Å; D747-I780 HydrophobicContact CB-CG1 3.99Å
748	Y	98.3	Very high	96.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-70.2	-21.9	179.5	-74.3	-85.6	0	0	0	113	W746 S779 Y781 K783 F926 E928 I961 A963 G966 Y967 V968	W746-Y748 AromaticContact CD1-CD1 3.97Å; W746-Y748 AromaticContact CD1-CD2 3.87Å; W746-Y748 AromaticContact CD1-CE1 3.98Å; W746-Y748 AromaticContact CD1-CE2 3.87Å; W746-Y748 AromaticContact CD1-CG 3.92Å; W746-Y748 AromaticContact CD1-CZ 3.93Å; W746-Y748 AromaticContact NE1-CD1 3.77Å; W746-Y748 AromaticContact NE1-CE1 3.94Å; Y748-S779 WeakPolarHBondContact CD2-O 3.32Å; Y748-S779 PolarHBondContact N-O 3.31Å; Y748-Y781 AromaticContact CD2-CD2 3.74Å; Y748-Y781 HydrophobicContact CD2-CD2 3.74Å; Y748-Y781 HydrophobicContact CD2-CE2 4.2Å; Y748-Y781 AromaticContact CE2-CD2 3.61Å; Y748-Y781 HydrophobicContact CE2-CD2 3.61Å; Y748-Y781 HydrophobicContact CE2-CE2 4.23Å; Y748-Y781 HydrophobicContact CE2-CG 4.21Å; Y748-K783 HydrophobicContact CE2-CD 4.21Å; Y748-K783 VanDerWaalsContact OH-CE 3.23Å; Y748-K783 WeakPolarHBondContact OH-CE 3.18Å; Y748-K783 PolarHBondContact OH-NZ 3.38Å; Y748-F926 HydrophobicContact CE1-CB 4.12Å; Y748-F926 AromaticContact CE1-CD2 3.97Å; Y748-F926 HydrophobicContact CE1-CD2 3.97Å; Y748-F926 HydrophobicContact CE1-CG 4.01Å; Y748-F926 VanDerWaalsContact OH-CB 3.25Å; Y748-F926 WeakPolarHBondContact OH-CB 3.44Å; Y748-F926 WeakPolarHBondContact OH-CD1 3.38Å; Y748-F926 WeakPolarHBondContact OH-CG 3.42Å; Y748-E928 PolarHBondContact OH-OE1 3.27Å; Y748-E928 VanDerWaalsContact OH-OE1 3.08Å; Y748-I961 HydrophobicContact CD1-CB 4.13Å; Y748-I961 HydrophobicContact CD1-CG2 3.41Å; Y748-I961 VanDerWaalsContact CD1-CG2 3.41Å; Y748-I961 HydrophobicContact CD2-CG1 4.22Å; Y748-I961 HydrophobicContact CD2-CG2 4.21Å; Y748-I961 HydrophobicContact CE1-CB 4.06Å; Y748-I961 HydrophobicContact CE1-CG2 3.85Å; Y748-I961 HydrophobicContact CE2-CG1 4.16Å; Y748-I961 HydrophobicContact CG-CB 4.38Å; Y748-I961 HydrophobicContact CG-CG1 4.48Å; Y748-I961 HydrophobicContact CG-CG2 3.62Å; Y748-A963 HydrophobicContact CD1-CB 4.35Å; Y748-A963 HydrophobicContact CE1-CB 4.47Å; Y748-G966 WeakPolarHBondContact CD1-O 3.29Å; Y748-Y967 WeakPolarHBondContact O-CA 3.06Å; Y748-V968 WeakPolarHBondContact O-CG2 3.41Å; Y748-V968 PolarHBondContact O-N 2.86Å; Y748-V968 VanDerWaalsContact O-N 3.13Å
749	S	97.6	Very high	96.5	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.021	21%	0.213	C	C	.	.			trans	-144.7	66.9	-177.3	-176.5	0	0	0	0	111.5	D747 N751 N971	D747-S749 PolarHBondContact O-N 2.72Å; D747-S749 VanDerWaalsContact OD1-C 3.29Å; D747-S749 PolarHBondContact OD1-N 2.71Å; S749-N751 PolarHBondContact O-N 3.02Å; S749-N751 VanDerWaalsContact O-N 3.16Å; S749-N971 PolarHBondContact OG-ND2 2.97Å
750	P	97	Very high	96.1	Very high	80 Å²	80	48.3 Å²	48.3	52%	0.519	25%	0.245	S	C	.	.	S	Bend	trans	-62.2	-24.9	-177.5	26	-35.4	0	0	0	113.3	D747 Y967 N971	D747-P750 HydrophobicContact CB-CB 4.41Å; D747-P750 WeakPolarHBondContact O-CD 3.44Å; D747-P750 WeakPolarHBondContact OD2-CA 3.31Å; P750-Y967 HydrophobicContact CG-CE1 4.23Å; P750-N971 WeakPolarHBondContact CD-OD1 3.37Å
751	N	95.7	Very high	95.6	Very high	79 Å²	79	52.2 Å²	52.2	42%	0.422	29%	0.285	S	S	.	.			trans	-124.3	126.5	173.2	-174.1	3.1	0	0	0	111.3	S749 T753 N971	S749-N751 PolarHBondContact O-N 3.02Å; S749-N751 VanDerWaalsContact O-N 3.16Å; N751-T753 PolarHBondContact ND2-OG1 3.39Å; N751-T753 WeakPolarHBondContact OD1-CB 3.45Å; N751-T753 VanDerWaalsContact OD1-CG2 3.27Å; N751-T753 WeakPolarHBondContact OD1-CG2 3.25Å; N751-T753 PolarHBondContact OD1-N 3.42Å; N751-T753 PolarHBondContact OD1-OG1 3.5Å; N751-N971 WeakPolarHBondContact CB-OD1 3.34Å; N751-N971 PolarHBondContact N-OD1 3.13Å; N751-N971 PolarHBondContact O-ND2 3.04Å; N751-N971 PolarHBondContact O-OD1 3.34Å; N751-N971 VanDerWaalsContact O-OD1 3.07Å
752	R	94.6	Very high	94.9	Very high	81 Å²	81	57.3 Å²	57.3	31%	0.306	31%	0.309	S	S	.	.			trans	-104.6	10.6	179.2	-60.5	-171.1	68.5	-176.4	-0.5	114	E755 A756 D771	R752-E755 IonicContact CZ-OE1 2.55Å; R752-E755 IonicContact CZ-OE2 3.96Å; R752-E755 IonicContact NE-OE1 3.9Å; R752-E755 IonicContact NE-OE2 2.75Å; R752-E755 PolarHBondContact NE-OE2 2.96Å; R752-E755 IonicContact NH2-OE1 3.99Å; R752-E755 PolarHBondContact NH2-OE1 3.31Å; R752-E755 IonicContact NH2-OE2 3.59Å; R752-E755 PolarHBondContact NH2-OE2 3.19Å; R752-A756 VanDerWaalsContact O-CB 3.26Å; R752-A756 WeakPolarHBondContact O-CB 3.32Å; R752-A756 PolarHBondContact O-N 2.81Å; R752-D771 IonicContact CZ-OD1 3.49Å; R752-D771 VanDerWaalsContact CZ-OD1 3.3Å; R752-D771 IonicContact NH1-OD1 3.16Å; R752-D771 PolarHBondContact NH1-OD1 3.28Å; R752-D771 IonicContact NH2-OD1 3.72Å; R752-D771 PolarHBondContact NH2-OD1 3.08Å
753	T	94.9	Very high	94.4	Very high	90 Å²	90	64.9 Å²	64.9	55%	0.552	34%	0.343	S	S	*	.	H	α-helix	trans	-67	-39.8	179.8	55.2	0	0	0	0	112.6	N751 A756 E757	N751-T753 PolarHBondContact ND2-OG1 3.39Å; N751-T753 WeakPolarHBondContact OD1-CB 3.45Å; N751-T753 VanDerWaalsContact OD1-CG2 3.27Å; N751-T753 WeakPolarHBondContact OD1-CG2 3.25Å; N751-T753 PolarHBondContact OD1-N 3.42Å; N751-T753 PolarHBondContact OD1-OG1 3.5Å; T753-A756 PolarHBondContact O-N 3.28Å; T753-E757 WeakPolarHBondContact O-CB 3.41Å; T753-E757 PolarHBondContact O-N 2.89Å
754	W	95.1	Very high	94	Very high	25 Å²	25	64.3 Å²	64.3	10%	0.095	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-52.5	179.1	-172.1	100.8	0	0	0	110.3	P138 A756 E757 M758 Y969 L1041 E1055 M1057	P138-W754 HydrophobicContact CB-CG 4.21Å; P138-W754 HydrophobicContact CG-CD2 4Å; P138-W754 HydrophobicContact CG-CG 4Å; P138-W754 HydrophobicContact CG-CZ2 4.47Å; P138-W754 WeakPolarHBondContact CG-O 3.46Å; P138-W754 PolarHBondContact O-NE1 2.72Å; W754-A756 PolarHBondContact O-N 3.17Å; W754-E757 PolarHBondContact O-N 3.44Å; W754-M758 HydrophobicContact CE3-CB 4.13Å; W754-M758 HydrophobicContact CH2-CB 4.3Å; W754-M758 HydrophobicContact CH2-CG 4.02Å; W754-M758 HydrophobicContact CZ3-CB 3.89Å; W754-M758 HydrophobicContact CZ3-CG 3.9Å; W754-M758 WeakPolarHBondContact O-CB 3.33Å; W754-M758 PolarHBondContact O-N 3.16Å; W754-Y969 WeakPolarHBondContact CB-O 3.3Å; W754-Y969 HydrophobicContact CZ3-CD1 4.28Å; W754-L1041 HydrophobicContact CZ2-CD1 4.18Å; W754-E1055 HydrophobicContact CH2-CB 4.36Å; W754-E1055 VanDerWaalsContact CH2-OE2 3.24Å; W754-E1055 WeakPolarHBondContact CH2-OE2 3.12Å; W754-E1055 WeakPolarHBondContact CZ3-OE2 3.36Å; W754-M1057 HydrophobicContact CZ2-SD 4.49Å
755	E	94.8	Very high	93.7	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.019	35%	0.345	C	S	.	.	H	α-helix	trans	-54.6	-49.9	174.8	-179.4	-150.3	139.6	0	0	112.1	R752 E757 M758 F759 N764 A766 L770 Y969	R752-E755 IonicContact CZ-OE1 2.55Å; R752-E755 IonicContact CZ-OE2 3.96Å; R752-E755 IonicContact NE-OE1 3.9Å; R752-E755 IonicContact NE-OE2 2.75Å; R752-E755 PolarHBondContact NE-OE2 2.96Å; R752-E755 IonicContact NH2-OE1 3.99Å; R752-E755 PolarHBondContact NH2-OE1 3.31Å; R752-E755 IonicContact NH2-OE2 3.59Å; R752-E755 PolarHBondContact NH2-OE2 3.19Å; E755-E757 VanDerWaalsContact C-N 3.27Å; E755-E757 PolarHBondContact O-N 3.01Å; E755-M758 PolarHBondContact O-N 2.87Å; E755-F759 HydrophobicContact CG-CD2 4.17Å; E755-F759 WeakPolarHBondContact O-CD2 3.2Å; E755-F759 PolarHBondContact O-N 2.89Å; E755-N764 PolarHBondContact OE1-ND2 3.06Å; E755-N764 PolarHBondContact OE1-OD1 3.18Å; E755-A766 HydrophobicContact CG-CB 3.76Å; E755-A766 VanDerWaalsContact OE1-CB 3.24Å; E755-A766 WeakPolarHBondContact OE1-CB 3.49Å; E755-L770 WeakPolarHBondContact OE2-CD1 2.89Å; E755-Y969 HydrophobicContact CB-CD1 4.44Å; E755-Y969 HydrophobicContact CB-CG 4.22Å; E755-Y969 HydrophobicContact CG-CD1 4.22Å; E755-Y969 HydrophobicContact CG-CG 4.23Å
756	A	94.4	Very high	93.4	Very high	56 Å²	56	59.4 Å²	59.4	46%	0.463	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-29.8	-179.1	0	0	0	0	0	113.1	R752 T753 W754 R760	R752-A756 VanDerWaalsContact O-CB 3.26Å; R752-A756 WeakPolarHBondContact O-CB 3.32Å; R752-A756 PolarHBondContact O-N 2.81Å; T753-A756 PolarHBondContact O-N 3.28Å; W754-A756 PolarHBondContact O-N 3.17Å; A756-R760 PolarHBondContact O-N 3.46Å
757	E	94.3	Very high	93	Very high	93 Å²	93	61 Å²	61	44%	0.435	33%	0.333	S	S	.	.	H	α-helix	trans	-74.8	-47.2	172.7	-175.3	172.1	167	0	0	111.4	P138 T753 W754 E755 F759 R760	P138-E757 HydrophobicContact CB-CB 4.37Å; P138-E757 HydrophobicContact CB-CG 4.2Å; P138-E757 HydrophobicContact CG-CB 3.92Å; P138-E757 HydrophobicContact CG-CG 3.97Å; T753-E757 WeakPolarHBondContact O-CB 3.41Å; T753-E757 PolarHBondContact O-N 2.89Å; W754-E757 PolarHBondContact O-N 3.44Å; E755-E757 VanDerWaalsContact C-N 3.27Å; E755-E757 PolarHBondContact O-N 3.01Å; E757-F759 VanDerWaalsContact C-N 3.32Å; E757-F759 PolarHBondContact O-N 3.43Å; E757-R760 WeakPolarHBondContact O-CB 3.44Å; E757-R760 PolarHBondContact O-N 2.82Å
758	M	92.9	Very high	92.7	Very high	17 Å²	17	61.3 Å²	61.3	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-57.6	-42.5	179.2	-179.5	50.1	168.2	0	0	111.8	L136 P138 R186 W754 E755	L136-M758 WeakPolarHBondContact O-CE 3.48Å; P138-M758 HydrophobicContact CG-CB 4.08Å; R186-M758 VanDerWaalsContact CZ-O 3.31Å; R186-M758 PolarHBondContact NH1-O 2.88Å; R186-M758 PolarHBondContact NH2-O 2.81Å; W754-M758 HydrophobicContact CE3-CB 4.13Å; W754-M758 HydrophobicContact CH2-CB 4.3Å; W754-M758 HydrophobicContact CH2-CG 4.02Å; W754-M758 HydrophobicContact CZ3-CB 3.89Å; W754-M758 HydrophobicContact CZ3-CG 3.9Å; W754-M758 WeakPolarHBondContact O-CB 3.33Å; W754-M758 PolarHBondContact O-N 3.16Å; E755-M758 PolarHBondContact O-N 2.87Å
759	F	92.6	Very high	92.5	Very high	23 Å²	23	62 Å²	62	10%	0.101	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	16.7	-177.3	-61.9	-77.1	0	0	0	114.4	E755 E757 G761 H762 N764 P765 Y969	E755-F759 HydrophobicContact CG-CD2 4.17Å; E755-F759 WeakPolarHBondContact O-CD2 3.2Å; E755-F759 PolarHBondContact O-N 2.89Å; E757-F759 VanDerWaalsContact C-N 3.32Å; E757-F759 PolarHBondContact O-N 3.43Å; F759-G761 PolarHBondContact O-N 2.67Å; F759-G761 VanDerWaalsContact O-N 3.15Å; F759-H762 PolarHBondContact O-N 2.84Å; F759-N764 HydrophobicContact CB-CB 4.01Å; F759-N764 WeakPolarHBondContact CD2-OD1 3.4Å; F759-N764 HydrophobicContact CG-CB 4.4Å; F759-P765 HydrophobicContact CD1-CG 4.48Å; F759-P765 VanDerWaalsContact CE1-CD 3.46Å; F759-P765 HydrophobicContact CE1-CG 3.81Å; F759-P765 HydrophobicContact CE2-CG 4.25Å; F759-P765 HydrophobicContact CZ-CG 3.68Å; F759-Y969 HydrophobicContact CE2-CD1 4.23Å; F759-Y969 HydrophobicContact CE2-CE1 4.02Å
760	R	90.9	Very high	92.4	Very high	178 Å²	178	62.3 Å²	62.3	67%	0.672	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	123.3	-178.7	-170.2	179.8	-64.9	167.1	4.7	111.8	A756 E757 H762	A756-R760 PolarHBondContact O-N 3.46Å; E757-R760 WeakPolarHBondContact O-CB 3.44Å; E757-R760 PolarHBondContact O-N 2.82Å; R760-H762 VanDerWaalsContact C-N 3.26Å; R760-H762 PolarHBondContact O-N 2.93Å; R760-H762 PolarHBondContact O-ND1 3.03Å
761	G	86.7	Confident	92.1	Very high	82 Å²	82	59.8 Å²	59.8	85%	0.845	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	12.3	178.5	0	0	0	0	0	115	F759	F759-G761 PolarHBondContact O-N 2.67Å; F759-G761 VanDerWaalsContact O-N 3.15Å
762	H	85.3	Confident	91.7	Very high	107 Å²	107	61.3 Å²	61.3	50%	0.495	32%	0.323	S	S	.	.	S	Bend	trans	-129.4	169.7	178.7	-65.3	80.1	0	0	0	110.3	F759 R760	F759-H762 PolarHBondContact O-N 2.84Å; R760-H762 VanDerWaalsContact C-N 3.26Å; R760-H762 PolarHBondContact O-N 2.93Å; R760-H762 PolarHBondContact O-ND1 3.03Å
763	E	86.5	Confident	90.8	Very high	178 Å²	178	65.9 Å²	65.9	83%	0.832	34%	0.341	S	S	*	.			trans	-63.6	136.9	168.7	-174.7	170	-160.4	0	0	110
764	N	90.4	Very high	89.8	Confident	40 Å²	40	67 Å²	67	21%	0.214	34%	0.343	C	S	.	.			trans	-108.5	108.1	-175.9	-170.4	-13.1	0	0	0	109.5	E755 F759 A766 S767	E755-N764 PolarHBondContact OE1-ND2 3.06Å; E755-N764 PolarHBondContact OE1-OD1 3.18Å; F759-N764 HydrophobicContact CB-CB 4.01Å; F759-N764 WeakPolarHBondContact CD2-OD1 3.4Å; F759-N764 HydrophobicContact CG-CB 4.4Å; N764-A766 PolarHBondContact O-N 3.5Å; N764-A766 WeakPolarHBondContact OD1-CB 3.39Å; N764-A766 PolarHBondContact OD1-N 3.42Å; N764-A766 VanDerWaalsContact OD1-N 3.09Å; N764-S767 PolarHBondContact O-N 3.07Å; N764-S767 PolarHBondContact O-OG 2.82Å
765	P	91.9	Very high	89.2	Confident	41 Å²	41	66.9 Å²	66.9	27%	0.266	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.1	-178.6	27.7	-34.9	0	0	0	112.6	F759 S767 I768 S1051	F759-P765 HydrophobicContact CD1-CG 4.48Å; F759-P765 VanDerWaalsContact CE1-CD 3.46Å; F759-P765 HydrophobicContact CE1-CG 3.81Å; F759-P765 HydrophobicContact CE2-CG 4.25Å; F759-P765 HydrophobicContact CZ-CG 3.68Å; P765-S767 PolarHBondContact O-N 3.24Å; P765-S767 VanDerWaalsContact O-N 3.09Å; P765-I768 WeakPolarHBondContact O-CG2 3.35Å; P765-S1051 WeakPolarHBondContact CB-O 3.29Å; P765-S1051 WeakPolarHBondContact CG-O 3.38Å
766	A	91.9	Very high	89.1	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.1	-177.1	0	0	0	0	0	115	E755 N764 I768 F769 L770 Y969	E755-A766 HydrophobicContact CG-CB 3.76Å; E755-A766 VanDerWaalsContact OE1-CB 3.24Å; E755-A766 WeakPolarHBondContact OE1-CB 3.49Å; N764-A766 PolarHBondContact O-N 3.5Å; N764-A766 WeakPolarHBondContact OD1-CB 3.39Å; N764-A766 PolarHBondContact OD1-N 3.42Å; N764-A766 VanDerWaalsContact OD1-N 3.09Å; A766-I768 VanDerWaalsContact C-N 3.29Å; A766-I768 PolarHBondContact O-N 2.98Å; A766-F769 PolarHBondContact O-N 2.89Å; A766-L770 HydrophobicContact CB-CD1 4.02Å; A766-L770 HydrophobicContact CB-CG 4.38Å; A766-L770 WeakPolarHBondContact O-CB 3.41Å; A766-L770 PolarHBondContact O-N 3.12Å; A766-Y969 VanDerWaalsContact CA-OH 3.23Å; A766-Y969 WeakPolarHBondContact CA-OH 3.42Å; A766-Y969 HydrophobicContact CB-CD2 4.26Å; A766-Y969 HydrophobicContact CB-CE1 4.01Å; A766-Y969 HydrophobicContact CB-CE2 3.54Å; A766-Y969 WeakPolarHBondContact CB-OH 3.4Å; A766-Y969 PolarHBondContact N-OH 2.85Å
767	S	89.9	Confident	89.2	Confident	59 Å²	59	65.8 Å²	65.8	41%	0.413	33%	0.334	S	S	.	.	H	α-helix	trans	-63.2	-33.4	-176.1	55.6	0	0	0	0	113.1	N764 P765 F769 D771	N764-S767 PolarHBondContact O-N 3.07Å; N764-S767 PolarHBondContact O-OG 2.82Å; P765-S767 PolarHBondContact O-N 3.24Å; P765-S767 VanDerWaalsContact O-N 3.09Å; S767-F769 VanDerWaalsContact C-N 3.32Å; S767-F769 PolarHBondContact O-N 3.46Å; S767-D771 VanDerWaalsContact O-CB 3.28Å; S767-D771 WeakPolarHBondContact O-CB 3.47Å; S767-D771 PolarHBondContact O-N 2.92Å
768	I	91.8	Very high	89.2	Confident	52 Å²	52	61.4 Å²	61.4	27%	0.267	31%	0.314	S	S	.	.	H	α-helix	trans	-66	-36.3	179.3	-167.6	171	0	0	0	111.6	P765 A766 Y776 E957 S958	P765-I768 WeakPolarHBondContact O-CG2 3.35Å; A766-I768 VanDerWaalsContact C-N 3.29Å; A766-I768 PolarHBondContact O-N 2.98Å; I768-Y776 HydrophobicContact CG1-CE2 4.4Å; I768-E957 HydrophobicContact CD1-CB 4.24Å; I768-E957 HydrophobicContact CD1-CG 3.93Å; I768-S958 WeakPolarHBondContact O-CA 3.35Å; I768-S958 WeakPolarHBondContact O-CB 3.05Å
769	F	94.2	Very high	89.4	Confident	15 Å²	15	61.3 Å²	61.3	7%	0.066	32%	0.315	C	S	.	.	H	α-helix	trans	-90.7	-35.4	-176.3	-47.9	-72.3	0	0	0	113.4	A766 S767 E957 K960 I961 A1052	A766-F769 PolarHBondContact O-N 2.89Å; S767-F769 VanDerWaalsContact C-N 3.32Å; S767-F769 PolarHBondContact O-N 3.46Å; F769-E957 HydrophobicContact CE1-CG 4.41Å; F769-E957 WeakPolarHBondContact CE1-O 3.33Å; F769-K960 WeakPolarHBondContact CD1-O 3.24Å; F769-I961 HydrophobicContact CB-CD1 4.17Å; F769-A1052 HydrophobicContact CD2-CB 4.38Å; F769-A1052 HydrophobicContact CE1-CB 4.42Å; F769-A1052 HydrophobicContact CE2-CB 3.61Å; F769-A1052 HydrophobicContact CZ-CB 3.63Å
770	L	94.6	Very high	89.6	Confident	8 Å²	8	63.1 Å²	63.1	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-109.1	-23.4	-166.1	-55.2	-172.8	0	0	0	114.5	E755 A766 G778 V968 Y969	E755-L770 WeakPolarHBondContact OE2-CD1 2.89Å; A766-L770 HydrophobicContact CB-CD1 4.02Å; A766-L770 HydrophobicContact CB-CG 4.38Å; A766-L770 WeakPolarHBondContact O-CB 3.41Å; A766-L770 PolarHBondContact O-N 3.12Å; L770-G778 WeakPolarHBondContact O-CA 3.27Å; L770-V968 HydrophobicContact CD1-CG2 4.45Å; L770-V968 HydrophobicContact CD2-CG2 4.09Å; L770-Y969 HydrophobicContact CD1-CD2 3.74Å; L770-Y969 HydrophobicContact CD1-CE2 3.81Å; L770-Y969 HydrophobicContact CG-CE2 4.34Å
771	D	90.8	Very high	89.9	Confident	27 Å²	27	54.7 Å²	54.7	14%	0.144	29%	0.294	C	S	.	.			trans	-81.9	139.6	179.9	-72.7	17.3	0	0	0	110.7	R752 S767 R773	R752-D771 IonicContact CZ-OD1 3.49Å; R752-D771 VanDerWaalsContact CZ-OD1 3.3Å; R752-D771 IonicContact NH1-OD1 3.16Å; R752-D771 PolarHBondContact NH1-OD1 3.28Å; R752-D771 IonicContact NH2-OD1 3.72Å; R752-D771 PolarHBondContact NH2-OD1 3.08Å; S767-D771 VanDerWaalsContact O-CB 3.28Å; S767-D771 WeakPolarHBondContact O-CB 3.47Å; S767-D771 PolarHBondContact O-N 2.92Å; D771-R773 HydrophobicContact CB-CB 4.19Å; D771-R773 HydrophobicContact CB-CG 4.22Å; D771-R773 PolarHBondContact O-N 3.08Å; D771-R773 IonicContact OD2-NE 3.59Å
772	K	87.6	Confident	90.5	Very high	111 Å²	111	51.9 Å²	51.9	48%	0.483	26%	0.258	S	S	.	.			trans	-79.2	9.1	168.7	-56.5	-163.1	177.7	-167	0	113.1	I777 N941	K772-I777 WeakPolarHBondContact CE-O 3.26Å; K772-I777 WeakPolarHBondContact CG-O 3.42Å; K772-N941 PolarHBondContact NZ-OD1 3.04Å
773	R	76	Confident	91.1	Very high	177 Å²	177	46.8 Å²	46.8	67%	0.668	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-72.7	159.1	-179.9	-65.1	179.3	-177.6	179.8	5	108.2	D771 G775 Y776	D771-R773 HydrophobicContact CB-CB 4.19Å; D771-R773 HydrophobicContact CB-CG 4.22Å; D771-R773 PolarHBondContact O-N 3.08Å; D771-R773 IonicContact OD2-NE 3.59Å; R773-G775 PolarHBondContact O-N 2.77Å; R773-Y776 WeakPolarHBondContact O-CD2 3.46Å; R773-Y776 PolarHBondContact O-N 2.96Å
774	D	73.1	Confident	91.7	Very high	113 Å²	113	38.3 Å²	38.3	60%	0.604	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	64.6	3.6	174.9	-51.1	-52.8	0	0	0	117.3	Y776 R946	D774-Y776 HydrophobicContact CB-CD2 4.42Å; D774-Y776 HydrophobicContact CB-CE2 3.99Å; D774-R946 PolarHBondContact O-NH2 2.82Å
775	G	83.3	Confident	92.1	Very high	24 Å²	24	36.7 Å²	36.7	25%	0.247	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	97.5	17.9	177.3	0	0	0	0	0	113.9	R773 I942	R773-G775 PolarHBondContact O-N 2.77Å; G775-I942 WeakPolarHBondContact O-CD1 3.42Å
776	Y	92.9	Very high	92.4	Very high	36 Å²	36	34.8 Å²	34.8	14%	0.141	17%	0.174	C	C	.	.			trans	-83	164.5	173.1	-52.2	-39.1	0	0	0	112.6	I768 R773 D774 S954 F955 S958	I768-Y776 HydrophobicContact CG1-CE2 4.4Å; R773-Y776 WeakPolarHBondContact O-CD2 3.46Å; R773-Y776 PolarHBondContact O-N 2.96Å; D774-Y776 HydrophobicContact CB-CD2 4.42Å; D774-Y776 HydrophobicContact CB-CE2 3.99Å; Y776-S954 VanDerWaalsContact OH-CB 3.31Å; Y776-S954 WeakPolarHBondContact OH-CB 3.09Å; Y776-S954 PolarHBondContact OH-OG 2.88Å; Y776-F955 HydrophobicContact CD1-CD2 4.31Å; Y776-S958 WeakPolarHBondContact CD1-OG 3.47Å
777	I	95.1	Very high	92.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.			trans	-76.1	-36.1	-179	-66.2	173.4	0	0	0	111.3	K772 Y781 L934 N937 I938 N941 I942 F955	K772-I777 WeakPolarHBondContact CE-O 3.26Å; K772-I777 WeakPolarHBondContact CG-O 3.42Å; I777-Y781 HydrophobicContact CB-CE1 3.91Å; I777-Y781 HydrophobicContact CD1-CD1 4.45Å; I777-Y781 HydrophobicContact CD1-CE1 3.74Å; I777-Y781 HydrophobicContact CG1-CE1 4.41Å; I777-Y781 HydrophobicContact CG2-CD1 3.96Å; I777-Y781 HydrophobicContact CG2-CE1 3.55Å; I777-Y781 HydrophobicContact CG2-CE2 4.2Å; I777-Y781 HydrophobicContact CG2-CG 4.43Å; I777-L934 HydrophobicContact CD1-CD1 4.14Å; I777-N937 HydrophobicContact CD1-CB 3.99Å; I777-N937 HydrophobicContact CG2-CB 4.42Å; I777-I938 HydrophobicContact CD1-CG1 4.1Å; I777-N941 HydrophobicContact CG2-CB 4.11Å; I777-I942 HydrophobicContact CG1-CD1 3.85Å; I777-I942 HydrophobicContact CG1-CG1 4.45Å; I777-F955 HydrophobicContact CD1-CE2 4.31Å; I777-F955 HydrophobicContact CD1-CZ 4.06Å; I777-F955 HydrophobicContact CG1-CE2 4.2Å; I777-F955 HydrophobicContact CG1-CZ 4.44Å
778	G	95	Very high	93	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.01	18%	0.176	C	C	.	.			trans	78.2	-163.5	-172.6	0	0	0	0	0	112.2	L770 I780 Y781	L770-G778 WeakPolarHBondContact O-CA 3.27Å; G778-I780 VanDerWaalsContact C-N 3.35Å; G778-I780 PolarHBondContact O-N 3.45Å; G778-Y781 WeakPolarHBondContact O-CE2 3.46Å; G778-Y781 PolarHBondContact O-OH 3.42Å
779	S	96.2	Very high	93.3	Very high	15 Å²	15	34.5 Å²	34.5	11%	0.105	17%	0.165	C	C	.	.	S	Bend	trans	-73.8	-8.2	-166.5	70.1	0	0	0	0	117.9	D747 Y748	D747-S779 WeakPolarHBondContact CA-O 3.28Å; D747-S779 WeakPolarHBondContact OD1-CB 3.49Å; D747-S779 PolarHBondContact OD1-OG 3.29Å; Y748-S779 WeakPolarHBondContact CD2-O 3.32Å; Y748-S779 PolarHBondContact N-O 3.31Å
780	I	97.4	Very high	93.4	Very high	62 Å²	62	36.9 Å²	36.9	32%	0.318	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.7	-170.1	-55	175.3	0	0	0	111.4	D745 W746 D747 G778	D745-I780 HydrophobicContact CB-CG2 4.33Å; W746-I780 WeakPolarHBondContact O-CA 3.41Å; D747-I780 HydrophobicContact CB-CG1 3.99Å; G778-I780 VanDerWaalsContact C-N 3.35Å; G778-I780 PolarHBondContact O-N 3.45Å
781	Y	98.3	Very high	93.4	Very high	1 Å²	1	39 Å²	39	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.4	-179.4	-65.9	-101.3	0	0	0	110.9	W746 Y748 I777 G778 K783 E928 N937 N959 I961	W746-Y781 PolarHBondContact N-O 2.66Å; W746-Y781 PolarHBondContact O-N 3.14Å; Y748-Y781 AromaticContact CD2-CD2 3.74Å; Y748-Y781 HydrophobicContact CD2-CD2 3.74Å; Y748-Y781 HydrophobicContact CD2-CE2 4.2Å; Y748-Y781 AromaticContact CE2-CD2 3.61Å; Y748-Y781 HydrophobicContact CE2-CD2 3.61Å; Y748-Y781 HydrophobicContact CE2-CE2 4.23Å; Y748-Y781 HydrophobicContact CE2-CG 4.21Å; I777-Y781 HydrophobicContact CB-CE1 3.91Å; I777-Y781 HydrophobicContact CD1-CD1 4.45Å; I777-Y781 HydrophobicContact CD1-CE1 3.74Å; I777-Y781 HydrophobicContact CG1-CE1 4.41Å; I777-Y781 HydrophobicContact CG2-CD1 3.96Å; I777-Y781 HydrophobicContact CG2-CE1 3.55Å; I777-Y781 HydrophobicContact CG2-CE2 4.2Å; I777-Y781 HydrophobicContact CG2-CG 4.43Å; G778-Y781 WeakPolarHBondContact O-CE2 3.46Å; G778-Y781 PolarHBondContact O-OH 3.42Å; Y781-K783 PolarHBondContact O-N 2.78Å; Y781-E928 VanDerWaalsContact CB-OE1 3.25Å; Y781-E928 WeakPolarHBondContact CB-OE1 3.46Å; Y781-E928 HydrophobicContact CD1-CB 3.81Å; Y781-E928 HydrophobicContact CD1-CG 3.54Å; Y781-E928 HydrophobicContact CD2-CG 4.38Å; Y781-E928 HydrophobicContact CE1-CB 3.6Å; Y781-E928 HydrophobicContact CE1-CG 3.67Å; Y781-E928 HydrophobicContact CE2-CG 4.45Å; Y781-E928 HydrophobicContact CG-CG 3.94Å; Y781-N937 HydrophobicContact CD1-CB 4.29Å; Y781-N959 PolarHBondContact OH-OD1 3.3Å; Y781-I961 HydrophobicContact CE2-CD1 4.45Å; Y781-I961 HydrophobicContact CE2-CG1 4.43Å
782	K	98.4	Very high	93.5	Very high	23 Å²	23	42.5 Å²	42.5	10%	0.1	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	127.6	163.2	-173.8	-178.6	178.9	-172.9	0	108.6	E743 I744 Y933 E936 N937	E743-K782 WeakPolarHBondContact OE2-CE 3.47Å; E743-K782 IonicContact OE2-NZ 3.36Å; E743-K782 PolarHBondContact OE2-NZ 3.46Å; I744-K782 WeakPolarHBondContact O-CA 3.38Å; K782-Y933 HydrophobicContact CD-CD1 3.77Å; K782-Y933 HydrophobicContact CD-CE1 4.27Å; K782-Y933 HydrophobicContact CD-CG 4.41Å; K782-Y933 HydrophobicContact CG-CD1 4.07Å; K782-Y933 HydrophobicContact CG-CG 4.28Å; K782-Y933 VanDerWaalsContact O-CB 3.25Å; K782-Y933 WeakPolarHBondContact O-CB 3.32Å; K782-E936 HydrophobicContact CD-CG 4.26Å; K782-E936 VanDerWaalsContact CD-OE1 3.29Å; K782-E936 WeakPolarHBondContact CD-OE1 3.13Å; K782-E936 VanDerWaalsContact CD-OE2 3.26Å; K782-E936 WeakPolarHBondContact CD-OE2 3.49Å; K782-E936 IonicContact NZ-OE1 2.9Å; K782-E936 PolarHBondContact NZ-OE1 2.71Å; K782-E936 IonicContact NZ-OE2 3.8Å; K782-E936 PolarHBondContact NZ-OE2 2.77Å; K782-N937 VanDerWaalsContact CB-OD1 3.26Å; K782-N937 WeakPolarHBondContact CB-OD1 3.34Å; K782-N937 PolarHBondContact N-ND2 3.36Å; K782-N937 PolarHBondContact N-OD1 2.87Å; K782-N937 PolarHBondContact O-ND2 2.78Å
783	K	98.5	Very high	93.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	172.9	-176.9	-60.9	-163.3	75.5	74.8	0	110.6	E743 I744 W746 Y748 Y781 I809 Y892 S893 E928	E743-K783 CarbonylContact C-O 3.49Å; E743-K783 VanDerWaalsContact CA-O 3.24Å; E743-K783 WeakPolarHBondContact CA-O 3.5Å; I744-K783 PolarHBondContact N-O 2.89Å; I744-K783 PolarHBondContact O-N 3.06Å; W746-K783 HydrophobicContact CB-CB 4.21Å; W746-K783 HydrophobicContact CB-CD 3.56Å; W746-K783 HydrophobicContact CB-CG 3.84Å; W746-K783 HydrophobicContact CG-CD 3.82Å; Y748-K783 HydrophobicContact CE2-CD 4.21Å; Y748-K783 VanDerWaalsContact OH-CE 3.23Å; Y748-K783 WeakPolarHBondContact OH-CE 3.18Å; Y748-K783 PolarHBondContact OH-NZ 3.38Å; Y781-K783 PolarHBondContact O-N 2.78Å; K783-I809 HydrophobicContact CD-CD1 3.63Å; K783-Y892 PolarHBondContact NZ-O 3.33Å; K783-S893 WeakPolarHBondContact CA-O 3.07Å; K783-S893 WeakPolarHBondContact CB-O 3.28Å; K783-E928 WeakPolarHBondContact CD-OE1 3.46Å; K783-E928 IonicContact NZ-OE1 2.73Å; K783-E928 PolarHBondContact NZ-OE1 3.17Å; K783-E928 IonicContact NZ-OE2 3.23Å; K783-E928 PolarHBondContact NZ-OE2 2.99Å
784	V	98.6	Very high	94.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.4	170.4	62.3	0	0	0	0	109.3	A741 V742 E743 A830 Y834 S893 G894 L895 Y933	A741-V784 HydrophobicContact CB-CG2 4.02Å; V742-V784 WeakPolarHBondContact O-CA 3.33Å; E743-V784 HydrophobicContact CG-CB 4.4Å; E743-V784 HydrophobicContact CG-CG2 4.42Å; V784-A830 HydrophobicContact CG2-CB 3.84Å; V784-Y834 HydrophobicContact CB-CE2 4.39Å; V784-Y834 HydrophobicContact CG1-CE2 4.07Å; V784-Y834 HydrophobicContact CG2-CD2 4.4Å; V784-Y834 HydrophobicContact CG2-CE2 3.9Å; V784-S893 PolarHBondContact N-O 2.95Å; V784-G894 CarbonylContact O-C 3.54Å; V784-G894 WeakPolarHBondContact O-CA 3.27Å; V784-L895 HydrophobicContact CG1-CD1 4.29Å; V784-L895 HydrophobicContact CG1-CD2 4.1Å; V784-L895 HydrophobicContact CG1-CG 3.86Å; V784-L895 HydrophobicContact CG2-CD2 3.99Å; V784-Y933 HydrophobicContact CB-CE2 3.99Å; V784-Y933 HydrophobicContact CG1-CE2 3.84Å
785	V	98.4	Very high	95.8	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.03	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	154.7	-175.1	-60.9	0	0	0	0	111.7	A741 V742 I744 Q787 I809	A741-V785 WeakPolarHBondContact CA-O 3.24Å; V742-V785 PolarHBondContact N-O 3.24Å; V742-V785 PolarHBondContact O-N 3.32Å; I744-V785 HydrophobicContact CD1-CB 4.45Å; I744-V785 HydrophobicContact CD1-CG1 3.91Å; I744-V785 HydrophobicContact CD1-CG2 3.63Å; I744-V785 HydrophobicContact CG1-CG1 4.3Å; I744-V785 HydrophobicContact CG1-CG2 4.05Å; I744-V785 HydrophobicContact CG2-CG2 4.34Å; V785-Q787 HydrophobicContact CG2-CG 3.99Å; V785-I809 HydrophobicContact CG1-CD1 4.36Å; V785-I809 HydrophobicContact CG1-CG1 3.58Å
786	Y	98.6	Very high	96.4	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	128.9	170.4	-67.4	-59.8	0	0	0	111	I739 A740 G811 F826 S835 I836 Y881 Y882 S883 L895	I739-Y786 HydrophobicContact CG2-CD1 3.9Å; I739-Y786 HydrophobicContact CG2-CG 4.28Å; A740-Y786 CarbonylContact O-C 3.54Å; A740-Y786 WeakPolarHBondContact O-CA 3.36Å; Y786-G811 WeakPolarHBondContact O-CA 3.4Å; Y786-F826 AromaticContact CD1-CE2 3.87Å; Y786-F826 HydrophobicContact CD1-CE2 3.87Å; Y786-F826 HydrophobicContact CE1-CD2 4.43Å; Y786-F826 AromaticContact CE1-CE2 3.59Å; Y786-F826 HydrophobicContact CE1-CE2 3.59Å; Y786-F826 HydrophobicContact CE1-CZ 4.09Å; Y786-S835 PolarHBondContact OH-O 3.33Å; Y786-I836 HydrophobicContact CD1-CD1 4.2Å; Y786-I836 HydrophobicContact CE1-CB 4.16Å; Y786-I836 HydrophobicContact CE1-CD1 3.94Å; Y786-I836 HydrophobicContact CE1-CG1 4.27Å; Y786-Y881 HydrophobicContact CD2-CD2 4.03Å; Y786-Y881 AromaticContact CD2-CE2 3.49Å; Y786-Y881 HydrophobicContact CD2-CE2 3.49Å; Y786-Y881 VanDerWaalsContact CD2-CE2 3.49Å; Y786-Y881 AromaticContact CE2-CD2 3.91Å; Y786-Y881 HydrophobicContact CE2-CD2 3.91Å; Y786-Y881 AromaticContact CE2-CE2 3.86Å; Y786-Y881 HydrophobicContact CE2-CE2 3.86Å; Y786-Y881 AromaticContact CG-CE2 3.97Å; Y786-Y881 HydrophobicContact CG-CE2 3.97Å; Y786-Y882 VanDerWaalsContact OH-C 3.25Å; Y786-S883 PolarHBondContact OH-N 3.42Å; Y786-S883 VanDerWaalsContact OH-N 3.13Å; Y786-L895 HydrophobicContact CD1-CD2 3.99Å; Y786-L895 HydrophobicContact CD2-CB 4.36Å; Y786-L895 HydrophobicContact CD2-CD2 4.13Å; Y786-L895 HydrophobicContact CE1-CD2 3.89Å; Y786-L895 HydrophobicContact CE2-CB 3.69Å; Y786-L895 HydrophobicContact CE2-CD2 4.06Å; Y786-L895 HydrophobicContact CE2-CG 4.39Å; Y786-L895 HydrophobicContact CG-CD2 4.12Å
787	Q	97.5	Very high	96.5	Very high	40 Å²	40	44.9 Å²	44.9	19%	0.187	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.9	175.7	-63.7	-167.7	-17.9	0	0	111.6	I739 A740 V742 V785 F789	I739-Q787 CarbonylContact C-O 3.48Å; I739-Q787 WeakPolarHBondContact CA-O 3.33Å; A740-Q787 PolarHBondContact N-O 3.4Å; A740-Q787 PolarHBondContact O-N 2.86Å; V742-Q787 HydrophobicContact CG2-CB 4.37Å; V742-Q787 HydrophobicContact CG2-CG 4.46Å; V785-Q787 HydrophobicContact CG2-CG 3.99Å; Q787-F789 HydrophobicContact CB-CE2 4.2Å
788	Q	96.9	Very high	96.4	Very high	57 Å²	57	47.7 Å²	47.7	27%	0.266	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	141.8	178.5	-164.1	175.2	-2.4	0	0	111.9	Y738 V798 P812	Y738-Q788 CarbonylContact O-C 3.56Å; Y738-Q788 WeakPolarHBondContact O-CA 3.44Å; Q788-V798 HydrophobicContact CB-CB 4.09Å; Q788-V798 HydrophobicContact CB-CG2 4.14Å; Q788-V798 HydrophobicContact CG-CB 4.24Å; Q788-V798 HydrophobicContact CG-CG2 3.79Å; Q788-V798 PolarHBondContact O-N 3.13Å; Q788-P812 HydrophobicContact CB-CB 4.01Å; Q788-P812 HydrophobicContact CB-CG 3.93Å
789	F	97.5	Very high	96.2	Very high	8 Å²	8	55.7 Å²	55.7	4%	0.035	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	159.7	175.4	-73.5	-101.3	0	0	0	110.8	Y738 A740 V742 Q787 F794 K796 K797 M829	Y738-F789 PolarHBondContact O-N 3.15Å; A740-F789 HydrophobicContact CB-CD2 4.06Å; A740-F789 HydrophobicContact CB-CE2 3.67Å; V742-F789 HydrophobicContact CG2-CE2 4.45Å; Q787-F789 HydrophobicContact CB-CE2 4.2Å; F789-F794 HydrophobicContact CB-CD1 3.89Å; F789-F794 VanDerWaalsContact CD1-C 3.41Å; F789-F794 VanDerWaalsContact CD1-CA 3.47Å; F789-F794 HydrophobicContact CD1-CB 3.97Å; F789-F794 HydrophobicContact CD1-CD1 4.37Å; F789-F794 AromaticContact CD2-CD1 3.79Å; F789-F794 HydrophobicContact CD2-CD1 3.79Å; F789-F794 HydrophobicContact CE1-CB 4.22Å; F789-F794 VanDerWaalsContact CE1-O 3.28Å; F789-F794 WeakPolarHBondContact CE1-O 3.4Å; F789-F794 HydrophobicContact CE2-CD1 4.43Å; F789-F794 HydrophobicContact CG-CB 4.2Å; F789-F794 AromaticContact CG-CD1 3.75Å; F789-F794 HydrophobicContact CG-CD1 3.75Å; F789-F794 HydrophobicContact CG-CG 4.42Å; F789-K796 WeakPolarHBondContact CD1-O 3.32Å; F789-K797 HydrophobicContact CD1-CG 4.24Å; F789-K797 HydrophobicContact CE1-CG 3.65Å; F789-K797 HydrophobicContact CE2-CG 4.33Å; F789-K797 HydrophobicContact CZ-CD 4.45Å; F789-K797 HydrophobicContact CZ-CG 3.71Å; F789-M829 HydrophobicContact CE1-CE 4.42Å; F789-M829 HydrophobicContact CZ-CE 4.16Å; F789-M829 HydrophobicContact CZ-SD 4.26Å
790	T	96	Very high	95.8	Very high	66 Å²	66	59.9 Å²	59.9	41%	0.405	29%	0.292	S	S	.	.	S	Bend	trans	-76.6	-24	-175.9	56.6	0	0	0	0	113.8	K796 V798	T790-K796 HydrophobicContact CG2-CB 4.46Å; T790-K796 HydrophobicContact CG2-CD 4.38Å; T790-K796 HydrophobicContact CG2-CG 4.31Å; T790-K796 PolarHBondContact N-O 3.25Å; T790-K796 VanDerWaalsContact N-O 3.14Å; T790-K796 PolarHBondContact OG1-O 3.41Å; T790-V798 HydrophobicContact CG2-CG2 4.03Å
791	N	95.3	Very high	95.3	Very high	51 Å²	51	59.9 Å²	59.9	27%	0.273	30%	0.295	S	S	.	.	S	Bend	trans	-161.3	-178.6	-178.6	59.6	45.8	0	0	0	112.3	Y738 K793 F794	Y738-N791 VanDerWaalsContact CD2-CA 3.49Å; Y738-N791 VanDerWaalsContact CG-C 3.41Å; N791-K793 PolarHBondContact O-N 2.86Å; N791-K793 VanDerWaalsContact OD1-CB 3.26Å; N791-K793 WeakPolarHBondContact OD1-CB 3.45Å; N791-K793 PolarHBondContact OD1-N 3.31Å; N791-F794 PolarHBondContact O-N 2.98Å
792	D	93.8	Very high	94.6	Very high	102 Å²	102	65.1 Å²	65.1	55%	0.545	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-4.9	-178.6	59.3	-3.5	0	0	0	115.2	Y738 F794	Y738-D792 HydrophobicContact CD1-CB 4.03Å; Y738-D792 HydrophobicContact CE1-CB 3.77Å; Y738-D792 VanDerWaalsContact CE1-N 3.29Å; D792-F794 WeakPolarHBondContact O-CD2 3.45Å; D792-F794 WeakPolarHBondContact O-CE2 3.34Å
793	K	94.4	Very high	93.7	Very high	148 Å²	148	67.7 Å²	67.7	64%	0.643	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-21.1	172.8	-56.6	-175.8	178.6	-179.6	0	112.2	N791 T795	N791-K793 PolarHBondContact O-N 2.86Å; N791-K793 VanDerWaalsContact OD1-CB 3.26Å; N791-K793 WeakPolarHBondContact OD1-CB 3.45Å; N791-K793 PolarHBondContact OD1-N 3.31Å; K793-T795 VanDerWaalsContact C-N 3.3Å; K793-T795 HydrophobicContact CB-CG2 4.28Å; K793-T795 PolarHBondContact O-N 3.35Å
794	F	95.6	Very high	93.2	Very high	11 Å²	11	71 Å²	71	5%	0.048	36%	0.36	C	S	.	.			trans	52.3	41.1	-178.6	-57.5	-92.4	0	0	0	114.6	I739 A740 F789 N791 D792 V825 K827 M829 T856	I739-F794 WeakPolarHBondContact O-CE1 3.48Å; A740-F794 HydrophobicContact CB-CD1 4.04Å; A740-F794 HydrophobicContact CB-CE1 4.26Å; F789-F794 HydrophobicContact CB-CD1 3.89Å; F789-F794 VanDerWaalsContact CD1-C 3.41Å; F789-F794 VanDerWaalsContact CD1-CA 3.47Å; F789-F794 HydrophobicContact CD1-CB 3.97Å; F789-F794 HydrophobicContact CD1-CD1 4.37Å; F789-F794 AromaticContact CD2-CD1 3.79Å; F789-F794 HydrophobicContact CD2-CD1 3.79Å; F789-F794 HydrophobicContact CE1-CB 4.22Å; F789-F794 VanDerWaalsContact CE1-O 3.28Å; F789-F794 WeakPolarHBondContact CE1-O 3.4Å; F789-F794 HydrophobicContact CE2-CD1 4.43Å; F789-F794 HydrophobicContact CG-CB 4.2Å; F789-F794 AromaticContact CG-CD1 3.75Å; F789-F794 HydrophobicContact CG-CD1 3.75Å; F789-F794 HydrophobicContact CG-CG 4.42Å; N791-F794 PolarHBondContact O-N 2.98Å; D792-F794 WeakPolarHBondContact O-CD2 3.45Å; D792-F794 WeakPolarHBondContact O-CE2 3.34Å; F794-V825 HydrophobicContact CE2-CG1 4.34Å; F794-V825 HydrophobicContact CZ-CG1 4.06Å; F794-V825 WeakPolarHBondContact CZ-O 3.18Å; F794-K827 HydrophobicContact CB-CD 4.02Å; F794-K827 HydrophobicContact CD1-CB 3.92Å; F794-K827 HydrophobicContact CD1-CD 4.38Å; F794-K827 HydrophobicContact CD2-CB 3.88Å; F794-K827 HydrophobicContact CD2-CD 3.45Å; F794-K827 VanDerWaalsContact CD2-CD 3.45Å; F794-K827 HydrophobicContact CD2-CG 4.32Å; F794-K827 HydrophobicContact CE1-CB 3.65Å; F794-K827 HydrophobicContact CE2-CB 3.61Å; F794-K827 HydrophobicContact CE2-CD 3.96Å; F794-K827 HydrophobicContact CE2-CG 4.42Å; F794-K827 HydrophobicContact CG-CB 4.03Å; F794-K827 HydrophobicContact CG-CD 3.7Å; F794-K827 HydrophobicContact CG-CG 4.5Å; F794-K827 HydrophobicContact CZ-CB 3.49Å; F794-K827 VanDerWaalsContact CZ-CB 3.49Å; F794-M829 HydrophobicContact CB-CE 3.33Å; F794-M829 HydrophobicContact CD1-CE 4.46Å; F794-M829 HydrophobicContact CG-CE 4.11Å; F794-T856 HydrophobicContact CE2-CG2 3.97Å; F794-T856 HydrophobicContact CZ-CG2 4.31Å
795	T	94.5	Very high	92.9	Very high	114 Å²	114	75 Å²	75	70%	0.699	38%	0.381	S	S	*	.			trans	-101.5	-30.1	178.9	53.5	0	0	0	0	113.7	K793	K793-T795 VanDerWaalsContact C-N 3.3Å; K793-T795 HydrophobicContact CB-CG2 4.28Å; K793-T795 PolarHBondContact O-N 3.35Å
796	K	95.8	Very high	92.8	Very high	135 Å²	135	74.8 Å²	74.8	59%	0.587	38%	0.38	S	S	*	.	S	Bend	trans	-118.2	117.6	179.8	-174.2	178.2	-179.3	-177.5	0	110.3	F789 T790	F789-K796 WeakPolarHBondContact CD1-O 3.32Å; T790-K796 HydrophobicContact CG2-CB 4.46Å; T790-K796 HydrophobicContact CG2-CD 4.38Å; T790-K796 HydrophobicContact CG2-CG 4.31Å; T790-K796 PolarHBondContact N-O 3.25Å; T790-K796 VanDerWaalsContact N-O 3.14Å; T790-K796 PolarHBondContact OG1-O 3.41Å
797	K	94.2	Very high	92.7	Very high	102 Å²	102	74.8 Å²	74.8	44%	0.443	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-69.1	148	173.2	-63.1	-176.8	-175.6	-171	0	110.2	F789	F789-K797 HydrophobicContact CD1-CG 4.24Å; F789-K797 HydrophobicContact CE1-CG 3.65Å; F789-K797 HydrophobicContact CE2-CG 4.33Å; F789-K797 HydrophobicContact CZ-CD 4.45Å; F789-K797 HydrophobicContact CZ-CG 3.71Å
798	V	93.8	Very high	92.6	Very high	59 Å²	59	73 Å²	73	36%	0.358	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-78.1	120.8	166.7	179.8	0	0	0	0	107	Q788 T790	Q788-V798 HydrophobicContact CB-CB 4.09Å; Q788-V798 HydrophobicContact CB-CG2 4.14Å; Q788-V798 HydrophobicContact CG-CB 4.24Å; Q788-V798 HydrophobicContact CG-CG2 3.79Å; Q788-V798 PolarHBondContact O-N 3.13Å; T790-V798 HydrophobicContact CG2-CG2 4.03Å
799	E	90.6	Very high	92.6	Very high	170 Å²	170	70.3 Å²	70.3	79%	0.794	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-72	133.6	175.2	-70.9	176.1	-173.7	0	0	109.2
800	R	88.2	Confident	92.7	Very high	103 Å²	103	70 Å²	70	39%	0.389	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-71.5	134	173	-68.9	-174.8	-177.2	165.9	1.6	108.8	M804 G808 M810	R800-M804 HydrophobicContact CB-CB 4.17Å; R800-M804 HydrophobicContact CG-CB 4.49Å; R800-G808 PolarHBondContact NH1-O 2.94Å; R800-G808 PolarHBondContact NH2-O 3.47Å; R800-G808 VanDerWaalsContact NH2-O 3.1Å; R800-M810 PolarHBondContact NH2-O 2.86Å
801	T	85.9	Confident	92.7	Very high	62 Å²	62	66.8 Å²	66.8	38%	0.38	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-76.7	162.7	172	50.2	0	0	0	0	110.1	D803 M804 D805	T801-D803 WeakPolarHBondContact CB-OD1 2.95Å; T801-D803 PolarHBondContact O-N 2.86Å; T801-D803 VanDerWaalsContact OG1-CG 3.25Å; T801-D803 PolarHBondContact OG1-OD1 2.93Å; T801-D803 PolarHBondContact OG1-OD2 3.09Å; T801-M804 CarbonylContact O-C 3.59Å; T801-M804 WeakPolarHBondContact O-CA 3.49Å; T801-M804 PolarHBondContact O-N 2.78Å; T801-D805 PolarHBondContact O-N 2.93Å
802	P	83.9	Confident	92.8	Very high	111 Å²	111	65 Å²	65	72%	0.721	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-56.5	-32.2	-178.8	-27.7	36.4	0	0	0	114.7	M804 D805	P802-M804 VanDerWaalsContact C-N 3.26Å; P802-M804 PolarHBondContact O-N 2.94Å; P802-D805 WeakPolarHBondContact O-CB 3.3Å; P802-D805 PolarHBondContact O-N 2.99Å
803	D	80.6	Confident	92.8	Very high	77 Å²	77	60.8 Å²	60.8	41%	0.412	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-68.6	-21.3	174	55.4	-58.8	0	0	0	113.1	T801 H806	T801-D803 WeakPolarHBondContact CB-OD1 2.95Å; T801-D803 PolarHBondContact O-N 2.86Å; T801-D803 VanDerWaalsContact OG1-CG 3.25Å; T801-D803 PolarHBondContact OG1-OD1 2.93Å; T801-D803 PolarHBondContact OG1-OD2 3.09Å; D803-H806 PolarHBondContact O-CE1 2.82Å; D803-H806 PolarHBondContact O-ND1 3.24Å
804	M	87.6	Confident	92.9	Very high	69 Å²	69	53.8 Å²	53.8	34%	0.34	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-100.6	1	177.2	-65	-173	-179.9	0	0	113.5	R800 T801 P802 H806 L807	R800-M804 HydrophobicContact CB-CB 4.17Å; R800-M804 HydrophobicContact CG-CB 4.49Å; T801-M804 CarbonylContact O-C 3.59Å; T801-M804 WeakPolarHBondContact O-CA 3.49Å; T801-M804 PolarHBondContact O-N 2.78Å; P802-M804 VanDerWaalsContact C-N 3.26Å; P802-M804 PolarHBondContact O-N 2.94Å; M804-H806 PolarHBondContact O-N 2.9Å; M804-L807 HydrophobicContact CB-CD1 4.15Å; M804-L807 WeakPolarHBondContact O-CB 3.33Å; M804-L807 WeakPolarHBondContact O-CG 3.31Å; M804-L807 PolarHBondContact O-N 2.82Å; M804-L807 VanDerWaalsContact O-N 3.13Å
805	D	91.6	Very high	92.8	Very high	83 Å²	83	55.8 Å²	55.8	44%	0.444	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-60.8	-32.4	-178.9	-164.2	40.1	0	0	0	111.5	T801 P802 L807 G808	T801-D805 PolarHBondContact O-N 2.93Å; P802-D805 WeakPolarHBondContact O-CB 3.3Å; P802-D805 PolarHBondContact O-N 2.99Å; D805-L807 PolarHBondContact O-N 2.79Å; D805-G808 PolarHBondContact O-N 2.98Å
806	H	95.7	Very high	92.7	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-59.8	-19.4	176.9	75.8	-89.4	0	0	0	114.3	D803 M804 G808 E918 F919 A920 N965 L972 N973 L975	D803-H806 PolarHBondContact O-CE1 2.82Å; D803-H806 PolarHBondContact O-ND1 3.24Å; M804-H806 PolarHBondContact O-N 2.9Å; H806-G808 PolarHBondContact O-N 3.3Å; H806-G808 VanDerWaalsContact O-N 3.1Å; H806-E918 PolarHBondContact CE1-O 3.31Å; H806-F919 AromaticContact CE1-CD1 3.83Å; H806-F919 AromaticContact CG-CD1 3.99Å; H806-F919 AromaticContact ND1-CD1 3.69Å; H806-F919 WeakPolarHBondContact NE2-CA 3.38Å; H806-A920 PolarHBondContact CD2-O 2.81Å; H806-A920 VanDerWaalsContact CD2-O 3.29Å; H806-A920 PolarHBondContact NE2-N 3.4Å; H806-N965 PolarHBondContact O-ND2 2.94Å; H806-L972 HydrophobicContact CB-CD1 4.48Å; H806-L972 VanDerWaalsContact O-CD1 3.26Å; H806-L972 WeakPolarHBondContact O-CD1 3.18Å; H806-N973 WeakPolarHBondContact CA-O 3.39Å; H806-N973 WeakPolarHBondContact CB-O 3.39Å; H806-N973 PolarHBondContact N-O 2.61Å; H806-L975 HydrophobicContact CB-CD2 3.65Å; H806-L975 HydrophobicContact CB-CG 4.21Å
807	L	96.8	Very high	92.5	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-63.3	-20.9	-177.1	-66.4	176.9	0	0	0	113.4	M804 D805 I809 M810 M813 P898 A920	M804-L807 HydrophobicContact CB-CD1 4.15Å; M804-L807 WeakPolarHBondContact O-CB 3.33Å; M804-L807 WeakPolarHBondContact O-CG 3.31Å; M804-L807 PolarHBondContact O-N 2.82Å; M804-L807 VanDerWaalsContact O-N 3.13Å; D805-L807 PolarHBondContact O-N 2.79Å; L807-I809 PolarHBondContact O-N 3.16Å; L807-M810 HydrophobicContact CB-CE 4.45Å; L807-M810 HydrophobicContact CD2-CE 3.83Å; L807-M810 VanDerWaalsContact O-CB 3.27Å; L807-M810 WeakPolarHBondContact O-CB 3.48Å; L807-M810 WeakPolarHBondContact O-CE 3.45Å; L807-M810 PolarHBondContact O-N 3.01Å; L807-M813 HydrophobicContact CD1-CG 4.05Å; L807-M813 HydrophobicContact CD2-CG 3.71Å; L807-M813 HydrophobicContact CD2-SD 4.04Å; L807-P898 HydrophobicContact CD2-CG 4.4Å; L807-A920 HydrophobicContact CD2-CB 3.95Å
808	G	96.4	Very high	92.4	Very high	2 Å²	2	41.9 Å²	41.9	2%	0.021	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	-124.7	175.8	0	0	0	0	0	112.4	R800 D805 H806 M810	R800-G808 PolarHBondContact NH1-O 2.94Å; R800-G808 PolarHBondContact NH2-O 3.47Å; R800-G808 VanDerWaalsContact NH2-O 3.1Å; D805-G808 PolarHBondContact O-N 2.98Å; H806-G808 PolarHBondContact O-N 3.3Å; H806-G808 VanDerWaalsContact O-N 3.1Å; G808-M810 PolarHBondContact O-N 2.95Å
809	I	97.3	Very high	92.3	Very high	2 Å²	2	40 Å²	40	1%	0.01	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-22.5	-177.7	-161.8	171.2	0	0	0	113.6	W746 K783 V785 L807 F926 N965	W746-I809 HydrophobicContact CD2-CB 4.36Å; W746-I809 HydrophobicContact CD2-CD1 4.33Å; W746-I809 HydrophobicContact CD2-CG1 4.22Å; W746-I809 HydrophobicContact CE3-CG1 4.42Å; W746-I809 HydrophobicContact CG-CD1 4.36Å; W746-I809 HydrophobicContact CH2-CB 4.02Å; W746-I809 HydrophobicContact CZ2-CB 3.75Å; W746-I809 HydrophobicContact CZ2-CG1 4.49Å; W746-I809 HydrophobicContact CZ3-CB 4.4Å; K783-I809 HydrophobicContact CD-CD1 3.63Å; V785-I809 HydrophobicContact CG1-CD1 4.36Å; V785-I809 HydrophobicContact CG1-CG1 3.58Å; L807-I809 PolarHBondContact O-N 3.16Å; I809-F926 HydrophobicContact CD1-CE1 3.91Å; I809-F926 HydrophobicContact CD1-CZ 4.1Å; I809-F926 HydrophobicContact CG2-CE1 4.46Å; I809-F926 HydrophobicContact CG2-CE2 4.36Å; I809-F926 HydrophobicContact CG2-CZ 3.67Å; I809-N965 WeakPolarHBondContact CG2-O 3.48Å; I809-N965 PolarHBondContact N-O 2.98Å
810	M	98	Very high	92.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-64.7	152.2	-174.5	-62.3	-172.6	-68.5	0	0	112.4	R800 L807 G808 I896 A920 L922 N965 M988	R800-M810 PolarHBondContact NH2-O 2.86Å; L807-M810 HydrophobicContact CB-CE 4.45Å; L807-M810 HydrophobicContact CD2-CE 3.83Å; L807-M810 VanDerWaalsContact O-CB 3.27Å; L807-M810 WeakPolarHBondContact O-CB 3.48Å; L807-M810 WeakPolarHBondContact O-CE 3.45Å; L807-M810 PolarHBondContact O-N 3.01Å; G808-M810 PolarHBondContact O-N 2.95Å; M810-I896 CarbonylContact C-O 3.57Å; M810-I896 WeakPolarHBondContact CA-O 3.26Å; M810-I896 HydrophobicContact CG-CG2 4.4Å; M810-A920 HydrophobicContact CE-CB 4.02Å; M810-A920 WeakPolarHBondContact CE-O 3.28Å; M810-L922 HydrophobicContact CG-CB 4.22Å; M810-L922 HydrophobicContact CG-CD2 4.18Å; M810-L922 HydrophobicContact SD-CB 3.58Å; M810-L922 VanDerWaalsContact SD-CB 3.58Å; M810-L922 HydrophobicContact SD-CD2 4.47Å; M810-N965 HydrophobicContact CE-CB 4.38Å; M810-N965 VanDerWaalsContact CE-CG 3.44Å; M810-N965 WeakPolarHBondContact CE-OD1 3.32Å; M810-M988 HydrophobicContact CE-CE 4.45Å; M810-M988 HydrophobicContact SD-CE 3.34Å; M810-M988 WeakPolarHBondContact SD-CE 3.31Å
811	G	97.7	Very high	92.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-61.4	171.5	168.3	0	0	0	0	0	113.7	Y786 Y881 I896	Y786-G811 WeakPolarHBondContact O-CA 3.4Å; G811-Y881 VanDerWaalsContact CA-OH 3.23Å; G811-Y881 WeakPolarHBondContact CA-OH 3.45Å; G811-I896 PolarHBondContact N-O 3.48Å
812	P	96.3	Very high	93.2	Very high	12 Å²	12	26.7 Å²	26.7	8%	0.078	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-56.8	147.2	175.4	29.1	-39.7	0	0	0	112	I739 Q788 I814 Y881	I739-P812 HydrophobicContact CD1-CG 4.07Å; I739-P812 HydrophobicContact CG1-CG 4.31Å; Q788-P812 HydrophobicContact CB-CB 4.01Å; Q788-P812 HydrophobicContact CB-CG 3.93Å; P812-I814 PolarHBondContact O-N 2.89Å; P812-Y881 WeakPolarHBondContact CD-OH 3.4Å; P812-Y881 VanDerWaalsContact N-OH 3.16Å; P812-Y881 WeakPolarHBondContact O-CE1 3.21Å; P812-Y881 PolarHBondContact O-OH 2.9Å
813	M	94.7	Very high	93.8	Very high	15 Å²	15	24.8 Å²	24.8	7%	0.074	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-65.5	121.3	168.3	-67	177.6	76.7	0	0	110.4	L807 P898 V900 E918 A920 Y986	L807-M813 HydrophobicContact CD1-CG 4.05Å; L807-M813 HydrophobicContact CD2-CG 3.71Å; L807-M813 HydrophobicContact CD2-SD 4.04Å; M813-P898 HydrophobicContact CB-CG 4.3Å; M813-P898 HydrophobicContact CG-CG 3.59Å; M813-V900 HydrophobicContact CE-CG2 3.79Å; M813-E918 HydrophobicContact CE-CB 4.4Å; M813-A920 HydrophobicContact CE-CB 4.45Å; M813-A920 HydrophobicContact SD-CB 4.49Å; M813-Y986 HydrophobicContact CE-CD2 3.73Å; M813-Y986 HydrophobicContact CE-CE2 3.81Å
814	I	95.7	Very high	94.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	106.3	176.1	-59.6	176.5	0	0	0	108.1	F737 I739 P812 V822 I824 W861 Y881 P898 L899 V900	F737-I814 HydrophobicContact CD2-CG2 4.11Å; F737-I814 HydrophobicContact CE1-CG2 4.43Å; F737-I814 HydrophobicContact CE2-CG2 3.77Å; F737-I814 HydrophobicContact CZ-CG2 3.95Å; I739-I814 HydrophobicContact CD1-CD1 3.65Å; I739-I814 HydrophobicContact CD1-CG1 4.24Å; P812-I814 PolarHBondContact O-N 2.89Å; I814-V822 HydrophobicContact CG2-CG1 4.19Å; I814-I824 HydrophobicContact CD1-CD1 3.97Å; I814-W861 HydrophobicContact CD1-CH2 4.04Å; I814-W861 HydrophobicContact CD1-CZ3 3.79Å; I814-W861 HydrophobicContact CG2-CZ3 4.42Å; I814-Y881 HydrophobicContact CD1-CD1 3.8Å; I814-Y881 HydrophobicContact CD1-CE1 3.51Å; I814-Y881 HydrophobicContact CD1-CE2 4.42Å; I814-Y881 HydrophobicContact CD1-CG 4.36Å; I814-Y881 HydrophobicContact CG1-CD1 4.38Å; I814-Y881 HydrophobicContact CG1-CE1 3.78Å; I814-P898 PolarHBondContact N-O 2.83Å; I814-L899 HydrophobicContact CB-CD1 3.97Å; I814-L899 HydrophobicContact CG2-CD1 3.72Å; I814-L899 WeakPolarHBondContact O-CD1 3.48Å; I814-V900 PolarHBondContact O-N 3.07Å
815	H	93.6	Very high	95.1	Very high	54 Å²	54	18.3 Å²	18.3	25%	0.25	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	120.2	176.5	-66.7	79.6	0	0	0	112.6	K735 V900 E918	K735-H815 WeakPolarHBondContact CD-O 3.42Å; K735-H815 PolarHBondContact NZ-O 3.04Å; H815-V900 WeakPolarHBondContact CA-O 3.48Å; H815-E918 IonicContact CD2-OE2 3.79Å; H815-E918 IonicContact CE1-OE2 3.08Å; H815-E918 IonicContact NE2-OE2 2.86Å; H815-E918 PolarHBondContact NE2-OE2 2.96Å
816	A	92.9	Very high	95.5	Very high	2 Å²	2	14.3 Å²	14.3	2%	0.017	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150	175.1	0	0	0	0	0	111.8	V822 V863 V900 I901 C902	A816-V822 HydrophobicContact CB-CG2 3.63Å; A816-V863 HydrophobicContact CB-CG2 3.9Å; A816-V900 PolarHBondContact N-O 2.79Å; A816-I901 WeakPolarHBondContact O-CA 3.38Å; A816-C902 PolarHBondContact O-N 3.5Å
817	S	92.1	Very high	95.6	Very high	22 Å²	22	16.9 Å²	16.9	15%	0.154	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	149.3	172.9	-63	0	0	0	0	110.1	G819 D820 C902	S817-G819 PolarHBondContact O-N 3.45Å; S817-G819 VanDerWaalsContact O-N 3.16Å; S817-D820 WeakPolarHBondContact CB-OD2 3.49Å; S817-D820 PolarHBondContact N-OD2 3.08Å; S817-D820 VanDerWaalsContact O-CB 3.23Å; S817-D820 WeakPolarHBondContact O-CB 3.34Å; S817-D820 VanDerWaalsContact O-CG 3.25Å; S817-D820 PolarHBondContact O-N 3.1Å; S817-C902 CarbonylContact C-O 3.55Å; S817-C902 VanDerWaalsContact CA-O 3.31Å; S817-C902 WeakPolarHBondContact CA-O 3.21Å
818	V	91.8	Very high	95.7	Very high	34 Å²	34	16.9 Å²	16.9	21%	0.206	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	123.5	169.3	177.3	0	0	0	0	110.1	I901 C902	V818-I901 HydrophobicContact CG2-CG2 4.42Å; V818-C902 PolarHBondContact N-O 3.26Å
819	G	91.1	Very high	95.8	Very high	20 Å²	20	20.2 Å²	20.2	21%	0.206	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.8	0	-173.4	0	0	0	0	0	115.3	S817 V863	S817-G819 PolarHBondContact O-N 3.45Å; S817-G819 VanDerWaalsContact O-N 3.16Å; G819-V863 WeakPolarHBondContact CA-O 3.21Å; G819-V863 PolarHBondContact N-O 2.78Å
820	D	92.5	Very high	95.8	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.027	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	143.6	176.2	-67	-10.8	0	0	0	111.7	K735 S817 V863 R904	K735-D820 WeakPolarHBondContact CD-OD2 3.32Å; K735-D820 WeakPolarHBondContact CE-OD2 3.25Å; K735-D820 IonicContact NZ-OD2 2.66Å; K735-D820 PolarHBondContact NZ-OD2 3.01Å; K735-D820 VanDerWaalsContact NZ-OD2 3.08Å; S817-D820 WeakPolarHBondContact CB-OD2 3.49Å; S817-D820 PolarHBondContact N-OD2 3.08Å; S817-D820 VanDerWaalsContact O-CB 3.23Å; S817-D820 WeakPolarHBondContact O-CB 3.34Å; S817-D820 VanDerWaalsContact O-CG 3.25Å; S817-D820 PolarHBondContact O-N 3.1Å; D820-V863 WeakPolarHBondContact O-CB 3.17Å; D820-V863 PolarHBondContact O-N 2.84Å; D820-R904 IonicContact OD1-CZ 2.89Å; D820-R904 IonicContact OD1-NH2 3.75Å; D820-R904 PolarHBondContact OD1-NH2 2.84Å
821	K	94.8	Very high	95.7	Very high	50 Å²	50	23.8 Å²	23.8	22%	0.217	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	116.3	157.7	177.8	169.2	177.9	161.7	0	108.5	M731 H733 S734 K735 F860 Y862	M731-K821 HydrophobicContact CB-CB 3.76Å; M731-K821 HydrophobicContact CG-CB 4.03Å; H733-K821 PolarHBondContact O-N 3.5Å; S734-K821 CarbonylContact C-O 3.51Å; S734-K821 VanDerWaalsContact CA-O 3.24Å; S734-K821 WeakPolarHBondContact CA-O 3.44Å; S734-K821 PolarHBondContact OG-O 3.26Å; K735-K821 PolarHBondContact N-O 3.24Å; K821-F860 HydrophobicContact CD-CD1 4.49Å; K821-Y862 HydrophobicContact CD-CE1 3.89Å; K821-Y862 HydrophobicContact CG-CE1 4.32Å; K821-Y862 PolarHBondContact NZ-OH 2.88Å
822	V	95.8	Very high	95.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	119	177.7	-177.1	0	0	0	0	108.5	F737 I814 A816 I824 F860 W861 V863	F737-V822 HydrophobicContact CD2-CG1 3.9Å; F737-V822 HydrophobicContact CE2-CG1 4Å; I814-V822 HydrophobicContact CG2-CG1 4.19Å; A816-V822 HydrophobicContact CB-CG2 3.63Å; V822-I824 HydrophobicContact CG1-CD1 3.57Å; V822-I824 HydrophobicContact CG1-CG1 4.19Å; V822-F860 WeakPolarHBondContact O-CA 3.49Å; V822-W861 HydrophobicContact CB-CB 4.2Å; V822-W861 HydrophobicContact CB-CE3 4.31Å; V822-W861 HydrophobicContact CG1-CE3 3.95Å; V822-W861 PolarHBondContact N-O 2.9Å; V822-W861 PolarHBondContact O-N 3.01Å; V822-V863 HydrophobicContact CG2-CG2 3.98Å
823	K	97	Very high	95.8	Very high	72 Å²	72	30.7 Å²	30.7	31%	0.313	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109.8	177.2	-178.1	-175.4	-179.1	-171.6	0	108.5	K735 T736 F737 V825 T858 F860	K735-K823 PolarHBondContact O-N 2.93Å; T736-K823 CarbonylContact C-O 3.58Å; T736-K823 VanDerWaalsContact CA-O 3.28Å; T736-K823 WeakPolarHBondContact CA-O 3.48Å; T736-K823 HydrophobicContact CG2-CB 4.39Å; T736-K823 HydrophobicContact CG2-CD 4.09Å; T736-K823 HydrophobicContact CG2-CG 4.29Å; F737-K823 PolarHBondContact N-O 3.1Å; K823-V825 HydrophobicContact CD-CG2 4.47Å; K823-V825 HydrophobicContact CG-CG2 4.38Å; K823-T858 HydrophobicContact CD-CG2 4.15Å; K823-T858 HydrophobicContact CG-CG2 3.51Å; K823-F860 HydrophobicContact CB-CD1 4.3Å; K823-F860 HydrophobicContact CB-CE1 4.28Å; K823-F860 HydrophobicContact CD-CE1 4.11Å; K823-F860 HydrophobicContact CG-CD1 4.19Å; K823-F860 HydrophobicContact CG-CE1 3.77Å
824	I	97.9	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	108.3	175.1	-52.2	-58.1	0	0	0	108.3	F737 I739 I814 V822 F826 I836 T858 Y859 W861	F737-I824 HydrophobicContact CB-CD1 3.8Å; F737-I824 HydrophobicContact CD2-CD1 3.92Å; F737-I824 HydrophobicContact CG-CD1 4.19Å; I739-I824 HydrophobicContact CB-CG2 4.36Å; I739-I824 HydrophobicContact CD1-CD1 4.4Å; I739-I824 HydrophobicContact CD1-CG2 4.15Å; I739-I824 HydrophobicContact CG1-CG2 4.44Å; I814-I824 HydrophobicContact CD1-CD1 3.97Å; V822-I824 HydrophobicContact CG1-CD1 3.57Å; V822-I824 HydrophobicContact CG1-CG1 4.19Å; I824-F826 HydrophobicContact CG2-CB 4.33Å; I824-F826 PolarHBondContact O-N 2.6Å; I824-I836 HydrophobicContact CG2-CD1 4.21Å; I824-I836 HydrophobicContact CG2-CG2 4.09Å; I824-T858 CarbonylContact O-C 3.54Å; I824-T858 VanDerWaalsContact O-CA 3.31Å; I824-T858 WeakPolarHBondContact O-CA 3.42Å; I824-Y859 PolarHBondContact N-O 3.16Å; I824-Y859 PolarHBondContact O-N 3.35Å; I824-W861 HydrophobicContact CD1-CE3 4.29Å; I824-W861 HydrophobicContact CD1-CH2 4.26Å; I824-W861 HydrophobicContact CD1-CZ3 3.92Å; I824-W861 HydrophobicContact CG1-CD2 4.19Å; I824-W861 HydrophobicContact CG1-CE3 3.97Å; I824-W861 HydrophobicContact CG1-CH2 3.78Å; I824-W861 HydrophobicContact CG1-CZ2 3.99Å; I824-W861 HydrophobicContact CG1-CZ3 3.77Å
825	V	98.3	Very high	96.1	Very high	9 Å²	9	30 Å²	30	6%	0.055	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	102.2	169.7	-174.3	0	0	0	0	106.5	T736 F737 Y738 I739 F794 K823 T856	T736-V825 HydrophobicContact CG2-CG2 4Å; F737-V825 PolarHBondContact O-N 3.42Å; Y738-V825 WeakPolarHBondContact CA-O 3.35Å; Y738-V825 HydrophobicContact CD1-CB 3.74Å; Y738-V825 HydrophobicContact CD1-CG1 4.11Å; Y738-V825 HydrophobicContact CD1-CG2 4.05Å; Y738-V825 HydrophobicContact CE1-CB 4.2Å; Y738-V825 HydrophobicContact CE1-CG2 4.01Å; I739-V825 PolarHBondContact N-O 3.47Å; F794-V825 HydrophobicContact CE2-CG1 4.34Å; F794-V825 HydrophobicContact CZ-CG1 4.06Å; F794-V825 WeakPolarHBondContact CZ-O 3.18Å; K823-V825 HydrophobicContact CD-CG2 4.47Å; K823-V825 HydrophobicContact CG-CG2 4.38Å; V825-T856 HydrophobicContact CG1-CG2 3.76Å
826	F	98.6	Very high	96.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.3	-173.2	178.3	-111.2	0	0	0	111.1	I739 A741 Y786 I824 N828 I836 T851 T856 H857 Y859	I739-F826 HydrophobicContact CG2-CD2 4.34Å; I739-F826 CarbonylContact O-C 3.57Å; I739-F826 WeakPolarHBondContact O-CA 3.44Å; I739-F826 WeakPolarHBondContact O-CD2 3.39Å; A741-F826 HydrophobicContact CB-CE2 3.9Å; A741-F826 HydrophobicContact CB-CZ 3.65Å; Y786-F826 AromaticContact CD1-CE2 3.87Å; Y786-F826 HydrophobicContact CD1-CE2 3.87Å; Y786-F826 HydrophobicContact CE1-CD2 4.43Å; Y786-F826 AromaticContact CE1-CE2 3.59Å; Y786-F826 HydrophobicContact CE1-CE2 3.59Å; Y786-F826 HydrophobicContact CE1-CZ 4.09Å; I824-F826 HydrophobicContact CG2-CB 4.33Å; I824-F826 PolarHBondContact O-N 2.6Å; F826-N828 HydrophobicContact CE1-CB 4.15Å; F826-I836 HydrophobicContact CB-CG2 3.86Å; F826-I836 HydrophobicContact CD1-CG2 4.29Å; F826-I836 HydrophobicContact CD2-CB 4.43Å; F826-I836 HydrophobicContact CD2-CG2 4.01Å; F826-I836 HydrophobicContact CG-CG2 3.79Å; F826-T851 HydrophobicContact CD1-CG2 4.07Å; F826-T851 HydrophobicContact CE1-CG2 4.25Å; F826-T856 CarbonylContact O-C 3.19Å; F826-T856 VanDerWaalsContact O-CA 3.27Å; F826-T856 WeakPolarHBondContact O-CA 3.27Å; F826-H857 PolarHBondContact N-O 3.4Å; F826-H857 PolarHBondContact O-N 2.7Å; F826-Y859 HydrophobicContact CB-CD2 3.89Å; F826-Y859 HydrophobicContact CB-CE2 3.69Å; F826-Y859 AromaticContact CD1-CE2 3.88Å; F826-Y859 HydrophobicContact CD1-CE2 3.88Å; F826-Y859 HydrophobicContact CG-CE2 4.1Å
827	K	98.4	Very high	96.4	Very high	55 Å²	55	28 Å²	28	24%	0.239	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.6	171.8	-178.7	168.2	-179.6	176.7	0	110.5	I739 A740 A741 F794 M829 E855 T856	I739-K827 PolarHBondContact O-N 3.18Å; A740-K827 WeakPolarHBondContact CA-O 3.24Å; A740-K827 HydrophobicContact CB-CB 4.25Å; A740-K827 WeakPolarHBondContact CB-O 3.37Å; A741-K827 PolarHBondContact N-O 3Å; A741-K827 VanDerWaalsContact N-O 3.15Å; F794-K827 HydrophobicContact CB-CD 4.02Å; F794-K827 HydrophobicContact CD1-CB 3.92Å; F794-K827 HydrophobicContact CD1-CD 4.38Å; F794-K827 HydrophobicContact CD2-CB 3.88Å; F794-K827 HydrophobicContact CD2-CD 3.45Å; F794-K827 VanDerWaalsContact CD2-CD 3.45Å; F794-K827 HydrophobicContact CD2-CG 4.32Å; F794-K827 HydrophobicContact CE1-CB 3.65Å; F794-K827 HydrophobicContact CE2-CB 3.61Å; F794-K827 HydrophobicContact CE2-CD 3.96Å; F794-K827 HydrophobicContact CE2-CG 4.42Å; F794-K827 HydrophobicContact CG-CB 4.03Å; F794-K827 HydrophobicContact CG-CD 3.7Å; F794-K827 HydrophobicContact CG-CG 4.5Å; F794-K827 HydrophobicContact CZ-CB 3.49Å; F794-K827 VanDerWaalsContact CZ-CB 3.49Å; K827-M829 HydrophobicContact CD-CE 3.8Å; K827-M829 HydrophobicContact CD-CG 4.31Å; K827-M829 HydrophobicContact CG-CE 4.43Å; K827-M829 HydrophobicContact CG-CG 4.07Å; K827-M829 PolarHBondContact O-N 2.82Å; K827-E855 WeakPolarHBondContact CA-O 3.32Å; K827-T856 HydrophobicContact CB-CG2 4.45Å
828	N	98.5	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	103.8	173.3	-173.8	0.1	0	0	0	109.6	F826 A830 R832 Y834 T851 K852 G854 E855	F826-N828 HydrophobicContact CE1-CB 4.15Å; N828-A830 WeakPolarHBondContact OD1-CB 3.19Å; N828-A830 PolarHBondContact OD1-N 2.59Å; N828-R832 PolarHBondContact ND2-O 3.22Å; N828-Y834 PolarHBondContact ND2-N 2.96Å; N828-T851 HydrophobicContact CB-CG2 3.8Å; N828-T851 PolarHBondContact ND2-O 3.01Å; N828-K852 WeakPolarHBondContact CB-O 3.45Å; N828-G854 WeakPolarHBondContact O-CA 3.42Å; N828-G854 PolarHBondContact O-N 3.24Å; N828-E855 PolarHBondContact N-O 2.69Å
829	M	98.3	Very high	96.7	Very high	73 Å²	73	25.5 Å²	25.5	36%	0.36	13%	0.133	S	C	.	.			trans	-94.3	0.3	175	-61.5	-174.7	169.5	0	0	112.9	A740 A741 V742 F789 F794 K827	A740-M829 HydrophobicContact CB-CE 4.42Å; A740-M829 HydrophobicContact CB-CG 4.17Å; A740-M829 HydrophobicContact CB-SD 4.19Å; A741-M829 CarbonylContact O-C 3.52Å; A741-M829 WeakPolarHBondContact O-CA 3.34Å; A741-M829 WeakPolarHBondContact O-CB 3.44Å; A741-M829 PolarHBondContact O-N 2.78Å; V742-M829 HydrophobicContact CG2-SD 4.18Å; F789-M829 HydrophobicContact CE1-CE 4.42Å; F789-M829 HydrophobicContact CZ-CE 4.16Å; F789-M829 HydrophobicContact CZ-SD 4.26Å; F794-M829 HydrophobicContact CB-CE 3.33Å; F794-M829 HydrophobicContact CD1-CE 4.46Å; F794-M829 HydrophobicContact CG-CE 4.11Å; K827-M829 HydrophobicContact CD-CE 3.8Å; K827-M829 HydrophobicContact CD-CG 4.31Å; K827-M829 HydrophobicContact CG-CE 4.43Å; K827-M829 HydrophobicContact CG-CG 4.07Å; K827-M829 PolarHBondContact O-N 2.82Å
830	A	97.8	Very high	96.4	Very high	7 Å²	7	24.8 Å²	24.8	6%	0.058	13%	0.126	C	C	.	.	S	Bend	trans	-88.4	176.7	-179.1	0	0	0	0	0	112	A741 E743 V784 N828 Y834 P853	A741-A830 PolarHBondContact O-N 3.31Å; E743-A830 HydrophobicContact CG-CB 3.79Å; V784-A830 HydrophobicContact CG2-CB 3.84Å; N828-A830 WeakPolarHBondContact OD1-CB 3.19Å; N828-A830 PolarHBondContact OD1-N 2.59Å; A830-Y834 HydrophobicContact CB-CD2 3.85Å; A830-Y834 HydrophobicContact CB-CE2 3.52Å; A830-P853 WeakPolarHBondContact O-CB 3.19Å
831	S	96.9	Very high	96.3	Very high	70 Å²	70	24.6 Å²	24.6	49%	0.49	13%	0.125	S	C	.	.	S	Bend	trans	-83.4	-7.6	-173.3	59.9	0	0	0	0	115.3	E743	E743-S831 VanDerWaalsContact OE1-CB 3.27Å; E743-S831 WeakPolarHBondContact OE1-CB 3.32Å; E743-S831 PolarHBondContact OE1-N 2.82Å; E743-S831 PolarHBondContact OE1-OG 2.73Å
832	R	96.8	Very high	96.2	Very high	96 Å²	96	22.4 Å²	22.4	36%	0.362	12%	0.116	S	C	.	.	S	Bend	trans	-132.8	156.4	-173.5	-65.3	174.7	176	-96.8	2	111.6	N828 Y834	N828-R832 PolarHBondContact ND2-O 3.22Å; R832-Y834 HydrophobicContact CB-CE2 4.27Å; R832-Y834 WeakPolarHBondContact O-CD2 3.32Å; R832-Y834 PolarHBondContact O-N 2.67Å
833	P	98	Very high	95.9	Very high	60 Å²	60	23.4 Å²	23.4	39%	0.39	12%	0.121	S	C	.	.			trans	-61.5	132.8	173.5	-18.6	31.6	0	0	0	111.2	T851	P833-T851 WeakPolarHBondContact CA-O 3.35Å
834	Y	98.4	Very high	95.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-138.1	164.8	176	-67.9	-54.6	0	0	0	109.4	A741 V784 N828 A830 R832 T851 D890 L895 Y933	A741-Y834 HydrophobicContact CB-CD2 4.28Å; V784-Y834 HydrophobicContact CB-CE2 4.39Å; V784-Y834 HydrophobicContact CG1-CE2 4.07Å; V784-Y834 HydrophobicContact CG2-CD2 4.4Å; V784-Y834 HydrophobicContact CG2-CE2 3.9Å; N828-Y834 PolarHBondContact ND2-N 2.96Å; A830-Y834 HydrophobicContact CB-CD2 3.85Å; A830-Y834 HydrophobicContact CB-CE2 3.52Å; R832-Y834 HydrophobicContact CB-CE2 4.27Å; R832-Y834 WeakPolarHBondContact O-CD2 3.32Å; R832-Y834 PolarHBondContact O-N 2.67Å; Y834-T851 PolarHBondContact N-O 3.08Å; Y834-T851 VanDerWaalsContact N-O 3.17Å; Y834-T851 WeakPolarHBondContact O-CA 3.43Å; Y834-T851 WeakPolarHBondContact O-CB 3.49Å; Y834-T851 PolarHBondContact O-N 2.89Å; Y834-D890 HydrophobicContact CD1-CB 4.3Å; Y834-D890 HydrophobicContact CE1-CB 4.28Å; Y834-D890 WeakPolarHBondContact CE1-OD1 3.45Å; Y834-L895 HydrophobicContact CD1-CD1 3.55Å; Y834-L895 HydrophobicContact CD2-CD1 4.06Å; Y834-L895 HydrophobicContact CE1-CD1 4.05Å; Y834-L895 HydrophobicContact CE2-CD1 4.49Å; Y834-L895 HydrophobicContact CG-CD1 3.57Å; Y834-Y933 PolarHBondContact OH-OH 2.69Å; Y834-Y933 VanDerWaalsContact OH-OH 3.07Å
835	S	98	Very high	94.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.			trans	-131.2	-175.5	173.3	74.2	0	0	0	0	111.4	Y786 Y849 S883 T884	Y786-S835 PolarHBondContact OH-O 3.33Å; S835-Y849 WeakPolarHBondContact CB-O 3.47Å; S835-S883 PolarHBondContact N-OG 2.79Å; S835-S883 WeakPolarHBondContact O-CB 3.47Å; S835-T884 PolarHBondContact OG-N 2.97Å; S835-T884 PolarHBondContact OG-OG1 3.35Å
836	I	97.8	Very high	94.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.			trans	-144.9	119.8	169.6	-175	163	0	0	0	109.1	I739 Y786 I824 F826 Y859 W861 Y881	I739-I836 HydrophobicContact CD1-CD1 4.24Å; I739-I836 HydrophobicContact CG2-CD1 4.25Å; Y786-I836 HydrophobicContact CD1-CD1 4.2Å; Y786-I836 HydrophobicContact CE1-CB 4.16Å; Y786-I836 HydrophobicContact CE1-CD1 3.94Å; Y786-I836 HydrophobicContact CE1-CG1 4.27Å; I824-I836 HydrophobicContact CG2-CD1 4.21Å; I824-I836 HydrophobicContact CG2-CG2 4.09Å; F826-I836 HydrophobicContact CB-CG2 3.86Å; F826-I836 HydrophobicContact CD1-CG2 4.29Å; F826-I836 HydrophobicContact CD2-CB 4.43Å; F826-I836 HydrophobicContact CD2-CG2 4.01Å; F826-I836 HydrophobicContact CG-CG2 3.79Å; I836-Y859 HydrophobicContact CG2-CD2 3.41Å; I836-Y859 VanDerWaalsContact CG2-CD2 3.41Å; I836-Y859 HydrophobicContact CG2-CE2 3.49Å; I836-Y859 VanDerWaalsContact CG2-CE2 3.49Å; I836-Y859 HydrophobicContact CG2-CG 3.97Å; I836-Y859 WeakPolarHBondContact O-CD1 3.3Å; I836-W861 HydrophobicContact CD1-CH2 4.45Å; I836-W861 HydrophobicContact CG1-CH2 4.14Å; I836-W861 HydrophobicContact CG1-CZ2 4.04Å; I836-Y881 HydrophobicContact CD1-CD2 3.6Å; I836-Y881 HydrophobicContact CD1-CE2 3.76Å; I836-Y881 HydrophobicContact CG1-CD2 3.84Å; I836-Y881 HydrophobicContact CG1-CE2 4.48Å
837	H	96.8	Very high	93.8	Very high	16 Å²	16	36.5 Å²	36.5	7%	0.074	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	157.4	177.4	-173.7	71.3	0	0	0	109.5	V848 Y881 Y882 T884	H837-V848 HydrophobicContact CB-CG1 4.17Å; H837-V848 HydrophobicContact CB-CG2 4.12Å; H837-Y881 CarbonylContact O-C 3.55Å; H837-Y881 WeakPolarHBondContact O-CA 3.44Å; H837-Y881 VanDerWaalsContact O-CB 3.27Å; H837-Y881 WeakPolarHBondContact O-CB 3.49Å; H837-Y882 PolarHBondContact N-O 3.02Å; H837-Y882 PolarHBondContact O-N 2.68Å; H837-T884 HydrophobicContact CB-CG2 3.65Å
838	A	95.5	Very high	93.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.1	-175	0	0	0	0	0	112.2	G840 V841 W861 A880 L899	A838-G840 PolarHBondContact O-N 2.73Å; A838-V841 HydrophobicContact CB-CG1 3.76Å; A838-V841 HydrophobicContact CB-CG2 4.1Å; A838-V841 WeakPolarHBondContact O-CG2 3.34Å; A838-W861 HydrophobicContact CB-CD2 4.43Å; A838-W861 HydrophobicContact CB-CE3 4.36Å; A838-W861 HydrophobicContact CB-CH2 3.93Å; A838-W861 HydrophobicContact CB-CZ2 4Å; A838-W861 HydrophobicContact CB-CZ3 4.12Å; A838-A880 WeakPolarHBondContact CA-O 3.25Å; A838-L899 HydrophobicContact CB-CD2 3.59Å
839	H	93.7	Very high	93.4	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.009	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	127	175.4	-87.5	82.8	0	0	0	111.5	Y662 D676 V841 A880 Y882 F1027	Y662-H839 AromaticContact CD1-NE2 3.91Å; Y662-H839 AromaticContact CD2-CD2 3.61Å; Y662-H839 AromaticContact CD2-NE2 3.81Å; Y662-H839 AromaticContact CE1-NE2 3.87Å; Y662-H839 AromaticContact CE2-CD2 3.37Å; Y662-H839 WeakPolarHBondContact CE2-CD2 3.37Å; Y662-H839 AromaticContact CE2-NE2 3.82Å; Y662-H839 AromaticContact CG-NE2 3.88Å; Y662-H839 AromaticContact CZ-CD2 3.69Å; Y662-H839 AromaticContact CZ-NE2 3.84Å; D676-H839 WeakPolarHBondContact OD2-CB 3.38Å; D676-H839 IonicContact OD2-CD2 3.97Å; H839-V841 PolarHBondContact O-N 3.05Å; H839-V841 VanDerWaalsContact O-N 3.08Å; H839-A880 PolarHBondContact N-O 2.77Å; H839-A880 PolarHBondContact ND1-O 2.56Å; H839-Y882 AromaticContact CE1-CE1 3.3Å; H839-Y882 WeakPolarHBondContact CE1-CE1 3.23Å; H839-Y882 AromaticContact CE1-CZ 3.85Å; H839-Y882 AromaticContact ND1-CD1 3.84Å; H839-Y882 AromaticContact ND1-CE1 3.3Å; H839-Y882 VanDerWaalsContact ND1-CE1 3.3Å; H839-Y882 WeakPolarHBondContact ND1-CE1 3.3Å; H839-F1027 HydrophobicContact CB-CE2 3.92Å; H839-F1027 AromaticContact CD2-CE2 3.78Å; H839-F1027 AromaticContact CG-CE2 3.66Å; H839-F1027 AromaticContact ND1-CZ 3.93Å
840	G	85.4	Confident	93.3	Very high	5 Å²	5	42 Å²	42	5%	0.052	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	18.9	172.9	0	0	0	0	0	116.4	R667 D676 A838 T867	R667-G840 WeakPolarHBondContact CD-O 3.36Å; D676-G840 WeakPolarHBondContact OD2-CA 3.4Å; D676-G840 PolarHBondContact OD2-N 2.72Å; A838-G840 PolarHBondContact O-N 2.73Å; G840-T867 VanDerWaalsContact O-CG2 3.3Å; G840-T867 WeakPolarHBondContact O-CG2 3.3Å
841	V	90.6	Very high	93.3	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	22%	0.219	C	C	.	.			trans	-74	147.9	162.7	-59.2	0	0	0	0	110.6	A838 H839 T843 W861 L899	A838-V841 HydrophobicContact CB-CG1 3.76Å; A838-V841 HydrophobicContact CB-CG2 4.1Å; A838-V841 WeakPolarHBondContact O-CG2 3.34Å; H839-V841 PolarHBondContact O-N 3.05Å; H839-V841 VanDerWaalsContact O-N 3.08Å; V841-T843 HydrophobicContact CG2-CG2 4.31Å; V841-W861 HydrophobicContact CB-CB 3.93Å; V841-W861 HydrophobicContact CB-CG 4.1Å; V841-W861 HydrophobicContact CG1-CB 4.12Å; V841-W861 HydrophobicContact CG1-CD2 4.36Å; V841-W861 HydrophobicContact CG1-CE3 4.48Å; V841-W861 HydrophobicContact CG1-CG 4.23Å; V841-W861 HydrophobicContact CG2-CB 4.11Å; V841-W861 HydrophobicContact CG2-CD2 4.29Å; V841-W861 HydrophobicContact CG2-CG 3.77Å; V841-L899 HydrophobicContact CG1-CD2 3.33Å
842	K	91.1	Very high	93.4	Very high	5 Å²	5	44.5 Å²	44.5	2%	0.022	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-87.4	136.4	170.9	174.2	170.2	-175.1	163.3	0	110.5	D693 E729 Y862 N864	D693-K842 PolarHBondContact O-NZ 2.81Å; D693-K842 IonicContact OD2-NZ 2.71Å; E729-K842 IonicContact OE1-NZ 3.59Å; E729-K842 PolarHBondContact OE1-NZ 3.39Å; E729-K842 IonicContact OE2-NZ 3.95Å; K842-Y862 PolarHBondContact N-O 2.98Å; K842-Y862 WeakPolarHBondContact O-CD2 3.35Å; K842-Y862 PolarHBondContact O-N 3.49Å; K842-N864 WeakPolarHBondContact CD-ND2 3.5Å
843	T	90.4	Very high	93.4	Very high	20 Å²	20	43 Å²	43	12%	0.123	23%	0.225	C	C	.	.			trans	-122.7	169.1	176.8	55.2	0	0	0	0	110.9	V841 S845	V841-T843 HydrophobicContact CG2-CG2 4.31Å; T843-S845 WeakPolarHBondContact CB-O 3.48Å; T843-S845 PolarHBondContact OG1-O 3.02Å
844	E	84.9	Confident	93.4	Very high	119 Å²	119	42.8 Å²	42.8	56%	0.556	23%	0.234	S	C	*	.	S	Bend	trans	-73	-42.8	177.1	-72.2	176.8	-165.8	0	0	111.9	Q727 Y862	Q727-E844 PolarHBondContact NE2-O 2.98Å; E844-Y862 HydrophobicContact CG-CE2 3.75Å; E844-Y862 PolarHBondContact OE1-OH 3.45Å
845	S	85.8	Confident	93.3	Very high	57 Å²	57	45.4 Å²	45.4	40%	0.399	25%	0.247	S	C	.	.	S	Bend	trans	-120.2	152.3	175.2	56.4	0	0	0	0	110.8	T843 D847	T843-S845 WeakPolarHBondContact CB-O 3.48Å; T843-S845 PolarHBondContact OG1-O 3.02Å; S845-D847 VanDerWaalsContact C-N 3.27Å; S845-D847 PolarHBondContact O-N 2.77Å; S845-D847 PolarHBondContact OG-O 3.33Å
846	P	87.1	Confident	93.3	Very high	43 Å²	43	48.5 Å²	48.5	28%	0.279	27%	0.266	S	S	.	.	S	Bend	trans	-60.9	-35.7	168	-20.2	31.6	0	0	0	112.7	Q697 F698 V848	Q697-P846 VanDerWaalsContact O-CB 3.27Å; Q697-P846 WeakPolarHBondContact O-CB 3.4Å; Q697-P846 WeakPolarHBondContact O-CG 3.4Å; F698-P846 HydrophobicContact CD1-CB 3.91Å; F698-P846 HydrophobicContact CD1-CG 4.2Å; F698-P846 HydrophobicContact CE1-CB 3.71Å; F698-P846 HydrophobicContact CE1-CG 3.69Å; F698-P846 HydrophobicContact CE2-CG 4.41Å; F698-P846 HydrophobicContact CZ-CB 4.34Å; F698-P846 HydrophobicContact CZ-CG 3.8Å; P846-V848 PolarHBondContact O-N 3.16Å
847	D	89.3	Confident	93.3	Very high	137 Å²	137	51 Å²	51	73%	0.733	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-66.9	132.2	-177.3	-58.3	-40.4	0	0	0	112.1	S845	S845-D847 VanDerWaalsContact C-N 3.27Å; S845-D847 PolarHBondContact O-N 2.77Å; S845-D847 PolarHBondContact OG-O 3.33Å
848	V	92.9	Very high	93.4	Very high	39 Å²	39	52.2 Å²	52.2	24%	0.236	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-102	124.4	175.6	-177.4	0	0	0	0	109.7	H837 P846 Q850 Y859 T884	H837-V848 HydrophobicContact CB-CG1 4.17Å; H837-V848 HydrophobicContact CB-CG2 4.12Å; P846-V848 PolarHBondContact O-N 3.16Å; V848-Q850 PolarHBondContact O-N 2.8Å; V848-Y859 HydrophobicContact CG1-CD1 4.49Å; V848-Y859 HydrophobicContact CG1-CE1 3.9Å; V848-T884 WeakPolarHBondContact CB-OG1 3.37Å; V848-T884 WeakPolarHBondContact CG1-OG1 3.41Å
849	Y	95.4	Very high	93.4	Very high	102 Å²	102	52.9 Å²	52.9	40%	0.4	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-65.8	132.7	178.2	-168.5	-96.8	0	0	0	111.7	S835 E855 H857 Y859	S835-Y849 WeakPolarHBondContact CB-O 3.47Å; Y849-E855 PolarHBondContact OH-OE1 3.22Å; Y849-H857 HydrophobicContact CD1-CB 4.03Å; Y849-H857 AromaticContact CD1-CD2 3.82Å; Y849-H857 AromaticContact CD1-CE1 3.69Å; Y849-H857 AromaticContact CD1-CG 3.47Å; Y849-H857 VanDerWaalsContact CD1-CG 3.47Å; Y849-H857 AromaticContact CD1-ND1 3.4Å; Y849-H857 WeakPolarHBondContact CD1-ND1 3.45Å; Y849-H857 AromaticContact CD1-NE2 3.96Å; Y849-H857 HydrophobicContact CE1-CB 4.33Å; Y849-H857 AromaticContact CE1-ND1 3.69Å; Y849-H857 AromaticContact CG-CE1 3.6Å; Y849-H857 AromaticContact CG-ND1 3.82Å; Y849-H857 AromaticContact CG-NE2 3.79Å; Y849-Y859 WeakPolarHBondContact O-CE1 3.34Å; Y849-Y859 PolarHBondContact O-OH 3.32Å
850	Q	96.6	Very high	93.5	Very high	102 Å²	102	56.5 Å²	56.5	48%	0.477	30%	0.304	S	S	.	.			trans	-90	115.4	171.8	-63.8	-177.4	2.6	0	0	109.8	V848 A885	V848-Q850 PolarHBondContact O-N 2.8Å; Q850-A885 HydrophobicContact CG-CB 4.12Å
851	T	98	Very high	93.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-84.2	120.4	-178	-57.7	0	0	0	0	110	F826 N828 P833 Y834 E855 H857 Y859	F826-T851 HydrophobicContact CD1-CG2 4.07Å; F826-T851 HydrophobicContact CE1-CG2 4.25Å; N828-T851 HydrophobicContact CB-CG2 3.8Å; N828-T851 PolarHBondContact ND2-O 3.01Å; P833-T851 WeakPolarHBondContact CA-O 3.35Å; Y834-T851 PolarHBondContact N-O 3.08Å; Y834-T851 VanDerWaalsContact N-O 3.17Å; Y834-T851 WeakPolarHBondContact O-CA 3.43Å; Y834-T851 WeakPolarHBondContact O-CB 3.49Å; Y834-T851 PolarHBondContact O-N 2.89Å; T851-E855 HydrophobicContact CG2-CB 3.83Å; T851-E855 HydrophobicContact CG2-CG 4.15Å; T851-E855 WeakPolarHBondContact CG2-O 3.44Å; T851-H857 HydrophobicContact CG2-CB 4.19Å; T851-H857 WeakPolarHBondContact OG1-CB 3.36Å; T851-Y859 PolarHBondContact OG1-OH 2.82Å
852	K	98.2	Very high	94.1	Very high	131 Å²	131	57.2 Å²	57.2	57%	0.57	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-71.9	158.8	-178.3	-64.7	179.7	-178.4	178.1	0	112.1	N828 G854 E855	N828-K852 WeakPolarHBondContact CB-O 3.45Å; K852-G854 PolarHBondContact O-N 3.04Å; K852-E855 HydrophobicContact CB-CB 4.27Å; K852-E855 WeakPolarHBondContact CB-OE2 3.43Å; K852-E855 PolarHBondContact N-OE2 2.96Å; K852-E855 WeakPolarHBondContact O-CB 3.38Å; K852-E855 PolarHBondContact O-N 3.32Å
853	P	98.3	Very high	94.1	Very high	63 Å²	63	57 Å²	57	41%	0.409	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	128.7	173	-30.7	38.4	0	0	0	112.8	A830 E855	A830-P853 WeakPolarHBondContact O-CB 3.19Å; P853-E855 PolarHBondContact O-N 3.32Å
854	G	96.7	Very high	94.1	Very high	56 Å²	56	56.7 Å²	56.7	58%	0.577	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-12.4	-177.8	0	0	0	0	0	115.4	N828 K852	N828-G854 WeakPolarHBondContact O-CA 3.42Å; N828-G854 PolarHBondContact O-N 3.24Å; K852-G854 PolarHBondContact O-N 3.04Å
855	E	98	Very high	94.3	Very high	55 Å²	55	58.9 Å²	58.9	26%	0.257	31%	0.31	S	S	.	.			trans	-77.1	153.5	179.8	-170.9	-179.5	-177.2	0	0	111.8	K827 N828 Y849 T851 K852 P853	K827-E855 WeakPolarHBondContact CA-O 3.32Å; N828-E855 PolarHBondContact N-O 2.69Å; Y849-E855 PolarHBondContact OH-OE1 3.22Å; T851-E855 HydrophobicContact CG2-CB 3.83Å; T851-E855 HydrophobicContact CG2-CG 4.15Å; T851-E855 WeakPolarHBondContact CG2-O 3.44Å; K852-E855 HydrophobicContact CB-CB 4.27Å; K852-E855 WeakPolarHBondContact CB-OE2 3.43Å; K852-E855 PolarHBondContact N-OE2 2.96Å; K852-E855 WeakPolarHBondContact O-CB 3.38Å; K852-E855 PolarHBondContact O-N 3.32Å; P853-E855 PolarHBondContact O-N 3.32Å
856	T	98	Very high	94.5	Very high	65 Å²	65	58.4 Å²	58.4	40%	0.399	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.4	168.6	-56.8	0	0	0	0	109.5	F794 V825 F826 K827	F794-T856 HydrophobicContact CE2-CG2 3.97Å; F794-T856 HydrophobicContact CZ-CG2 4.31Å; V825-T856 HydrophobicContact CG1-CG2 3.76Å; F826-T856 CarbonylContact O-C 3.19Å; F826-T856 VanDerWaalsContact O-CA 3.27Å; F826-T856 WeakPolarHBondContact O-CA 3.27Å; K827-T856 HydrophobicContact CB-CG2 4.45Å
857	H	97.7	Very high	94.7	Very high	53 Å²	53	56.5 Å²	56.5	25%	0.245	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	155.5	177.3	-170.4	77.8	0	0	0	110.4	F826 Y849 T851 Y859	F826-H857 PolarHBondContact N-O 3.4Å; F826-H857 PolarHBondContact O-N 2.7Å; Y849-H857 HydrophobicContact CD1-CB 4.03Å; Y849-H857 AromaticContact CD1-CD2 3.82Å; Y849-H857 AromaticContact CD1-CE1 3.69Å; Y849-H857 AromaticContact CD1-CG 3.47Å; Y849-H857 VanDerWaalsContact CD1-CG 3.47Å; Y849-H857 AromaticContact CD1-ND1 3.4Å; Y849-H857 WeakPolarHBondContact CD1-ND1 3.45Å; Y849-H857 AromaticContact CD1-NE2 3.96Å; Y849-H857 HydrophobicContact CE1-CB 4.33Å; Y849-H857 AromaticContact CE1-ND1 3.69Å; Y849-H857 AromaticContact CG-CE1 3.6Å; Y849-H857 AromaticContact CG-ND1 3.82Å; Y849-H857 AromaticContact CG-NE2 3.79Å; T851-H857 HydrophobicContact CG2-CB 4.19Å; T851-H857 WeakPolarHBondContact OG1-CB 3.36Å; H857-Y859 HydrophobicContact CB-CE2 4.18Å; H857-Y859 AromaticContact CD2-CD2 3.94Å; H857-Y859 AromaticContact CD2-CE1 3.95Å; H857-Y859 AromaticContact CD2-CE2 3.68Å; H857-Y859 AromaticContact CD2-CZ 3.71Å
858	T	97.6	Very high	94.8	Very high	41 Å²	41	50 Å²	50	25%	0.252	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.1	176.7	-61.7	0	0	0	0	110.8	K823 I824 F860	K823-T858 HydrophobicContact CD-CG2 4.15Å; K823-T858 HydrophobicContact CG-CG2 3.51Å; I824-T858 CarbonylContact O-C 3.54Å; I824-T858 VanDerWaalsContact O-CA 3.31Å; I824-T858 WeakPolarHBondContact O-CA 3.42Å; T858-F860 HydrophobicContact CG2-CD1 4.43Å; T858-F860 HydrophobicContact CG2-CE1 3.86Å; T858-F860 HydrophobicContact CG2-CE2 3.94Å; T858-F860 HydrophobicContact CG2-CZ 3.58Å
859	Y	96.5	Very high	94.8	Very high	15 Å²	15	48.6 Å²	48.6	6%	0.059	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	143.5	174	-57.6	-97.7	0	0	0	110.3	I824 F826 I836 V848 Y849 T851 H857	I824-Y859 PolarHBondContact N-O 3.16Å; I824-Y859 PolarHBondContact O-N 3.35Å; F826-Y859 HydrophobicContact CB-CD2 3.89Å; F826-Y859 HydrophobicContact CB-CE2 3.69Å; F826-Y859 AromaticContact CD1-CE2 3.88Å; F826-Y859 HydrophobicContact CD1-CE2 3.88Å; F826-Y859 HydrophobicContact CG-CE2 4.1Å; I836-Y859 HydrophobicContact CG2-CD2 3.41Å; I836-Y859 VanDerWaalsContact CG2-CD2 3.41Å; I836-Y859 HydrophobicContact CG2-CE2 3.49Å; I836-Y859 VanDerWaalsContact CG2-CE2 3.49Å; I836-Y859 HydrophobicContact CG2-CG 3.97Å; I836-Y859 WeakPolarHBondContact O-CD1 3.3Å; V848-Y859 HydrophobicContact CG1-CD1 4.49Å; V848-Y859 HydrophobicContact CG1-CE1 3.9Å; Y849-Y859 WeakPolarHBondContact O-CE1 3.34Å; Y849-Y859 PolarHBondContact O-OH 3.32Å; T851-Y859 PolarHBondContact OG1-OH 2.82Å; H857-Y859 HydrophobicContact CB-CE2 4.18Å; H857-Y859 AromaticContact CD2-CD2 3.94Å; H857-Y859 AromaticContact CD2-CE1 3.95Å; H857-Y859 AromaticContact CD2-CE2 3.68Å; H857-Y859 AromaticContact CD2-CZ 3.71Å
860	F	94.8	Very high	94.7	Very high	77 Å²	77	44.7 Å²	44.7	34%	0.338	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.8	178.4	-62.6	-74.6	0	0	0	110.4	K821 V822 K823 T858 Y862	K821-F860 HydrophobicContact CD-CD1 4.49Å; V822-F860 WeakPolarHBondContact O-CA 3.49Å; K823-F860 HydrophobicContact CB-CD1 4.3Å; K823-F860 HydrophobicContact CB-CE1 4.28Å; K823-F860 HydrophobicContact CD-CE1 4.11Å; K823-F860 HydrophobicContact CG-CD1 4.19Å; K823-F860 HydrophobicContact CG-CE1 3.77Å; T858-F860 HydrophobicContact CG2-CD1 4.43Å; T858-F860 HydrophobicContact CG2-CE1 3.86Å; T858-F860 HydrophobicContact CG2-CE2 3.94Å; T858-F860 HydrophobicContact CG2-CZ 3.58Å; F860-Y862 HydrophobicContact CB-CE2 4.07Å
861	W	95.1	Very high	94.4	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.9	174.1	-53.5	-27.9	0	0	0	109.9	I814 V822 I824 I836 A838 V841 Y881 L899	I814-W861 HydrophobicContact CD1-CH2 4.04Å; I814-W861 HydrophobicContact CD1-CZ3 3.79Å; I814-W861 HydrophobicContact CG2-CZ3 4.42Å; V822-W861 HydrophobicContact CB-CB 4.2Å; V822-W861 HydrophobicContact CB-CE3 4.31Å; V822-W861 HydrophobicContact CG1-CE3 3.95Å; V822-W861 PolarHBondContact N-O 2.9Å; V822-W861 PolarHBondContact O-N 3.01Å; I824-W861 HydrophobicContact CD1-CE3 4.29Å; I824-W861 HydrophobicContact CD1-CH2 4.26Å; I824-W861 HydrophobicContact CD1-CZ3 3.92Å; I824-W861 HydrophobicContact CG1-CD2 4.19Å; I824-W861 HydrophobicContact CG1-CE3 3.97Å; I824-W861 HydrophobicContact CG1-CH2 3.78Å; I824-W861 HydrophobicContact CG1-CZ2 3.99Å; I824-W861 HydrophobicContact CG1-CZ3 3.77Å; I836-W861 HydrophobicContact CD1-CH2 4.45Å; I836-W861 HydrophobicContact CG1-CH2 4.14Å; I836-W861 HydrophobicContact CG1-CZ2 4.04Å; A838-W861 HydrophobicContact CB-CD2 4.43Å; A838-W861 HydrophobicContact CB-CE3 4.36Å; A838-W861 HydrophobicContact CB-CH2 3.93Å; A838-W861 HydrophobicContact CB-CZ2 4Å; A838-W861 HydrophobicContact CB-CZ3 4.12Å; V841-W861 HydrophobicContact CB-CB 3.93Å; V841-W861 HydrophobicContact CB-CG 4.1Å; V841-W861 HydrophobicContact CG1-CB 4.12Å; V841-W861 HydrophobicContact CG1-CD2 4.36Å; V841-W861 HydrophobicContact CG1-CE3 4.48Å; V841-W861 HydrophobicContact CG1-CG 4.23Å; V841-W861 HydrophobicContact CG2-CB 4.11Å; V841-W861 HydrophobicContact CG2-CD2 4.29Å; V841-W861 HydrophobicContact CG2-CG 3.77Å; W861-Y881 HydrophobicContact CH2-CG 4.37Å; W861-L899 HydrophobicContact CZ3-CD1 4.37Å
862	Y	93.2	Very high	94.1	Very high	19 Å²	19	48 Å²	48	8%	0.075	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.4	-179.7	-65.3	-89.4	0	0	0	108.2	M731 K821 K842 E844 F860 N864 T867	M731-Y862 HydrophobicContact CE-CD1 4.05Å; M731-Y862 HydrophobicContact CE-CG 4.48Å; M731-Y862 HydrophobicContact CG-CD1 3.81Å; M731-Y862 HydrophobicContact CG-CE1 4.41Å; K821-Y862 HydrophobicContact CD-CE1 3.89Å; K821-Y862 HydrophobicContact CG-CE1 4.32Å; K821-Y862 PolarHBondContact NZ-OH 2.88Å; K842-Y862 PolarHBondContact N-O 2.98Å; K842-Y862 WeakPolarHBondContact O-CD2 3.35Å; K842-Y862 PolarHBondContact O-N 3.49Å; E844-Y862 HydrophobicContact CG-CE2 3.75Å; E844-Y862 PolarHBondContact OE1-OH 3.45Å; F860-Y862 HydrophobicContact CB-CE2 4.07Å; Y862-N864 PolarHBondContact O-N 2.94Å; Y862-T867 PolarHBondContact O-OG1 3Å
863	V	92.8	Very high	93.8	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	23%	0.232	C	C	.	.			trans	-101.2	83	-178.8	-173.8	0	0	0	0	108.5	A816 G819 D820 V822 T867 I901	A816-V863 HydrophobicContact CB-CG2 3.9Å; G819-V863 WeakPolarHBondContact CA-O 3.21Å; G819-V863 PolarHBondContact N-O 2.78Å; D820-V863 WeakPolarHBondContact O-CB 3.17Å; D820-V863 PolarHBondContact O-N 2.84Å; V822-V863 HydrophobicContact CG2-CG2 3.98Å; V863-T867 HydrophobicContact CB-CG2 4.48Å; V863-T867 HydrophobicContact CG1-CG2 4.13Å; V863-I901 HydrophobicContact CG1-CD1 4.24Å; V863-I901 HydrophobicContact CG1-CG1 4.48Å; V863-I901 HydrophobicContact CG1-CG2 3.5Å
864	N	90.3	Very high	93.4	Very high	14 Å²	14	40 Å²	40	8%	0.075	22%	0.216	C	C	.	.			trans	-91	-174.9	-178.9	74.3	16.2	0	0	0	111.4	D693 E729 M731 K842 Y862 N866 T867 G868	D693-N864 PolarHBondContact OD2-ND2 3.22Å; E729-N864 PolarHBondContact OE1-ND2 2.93Å; E729-N864 VanDerWaalsContact OE1-ND2 3.16Å; E729-N864 WeakPolarHBondContact OE2-CB 3.06Å; E729-N864 PolarHBondContact OE2-ND2 3.31Å; E729-N864 VanDerWaalsContact OE2-ND2 3.09Å; M731-N864 HydrophobicContact CE-CB 3.81Å; K842-N864 WeakPolarHBondContact CD-ND2 3.5Å; Y862-N864 PolarHBondContact O-N 2.94Å; N864-N866 PolarHBondContact O-N 2.86Å; N864-N866 VanDerWaalsContact OD1-CA 3.26Å; N864-N866 WeakPolarHBondContact OD1-CA 3.49Å; N864-N866 WeakPolarHBondContact OD1-CB 3.34Å; N864-N866 PolarHBondContact OD1-N 2.92Å; N864-T867 PolarHBondContact N-OG1 2.98Å; N864-T867 WeakPolarHBondContact O-CB 3.3Å; N864-T867 PolarHBondContact O-N 3.36Å; N864-T867 VanDerWaalsContact O-N 3.11Å; N864-T867 PolarHBondContact OD1-N 2.83Å; N864-T867 PolarHBondContact OD1-OG1 2.91Å; N864-G868 PolarHBondContact O-N 2.87Å
865	K	89.1	Confident	93.1	Very high	164 Å²	164	38.9 Å²	38.9	71%	0.713	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-31.2	178	-177.6	-175.6	173.4	-169	0	112.1	R674	R674-K865 PolarHBondContact NH1-O 3Å
866	N	89.4	Confident	92.8	Very high	47 Å²	47	36.3 Å²	36.3	25%	0.251	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.6	179.6	-66.2	-12.9	0	0	0	113	R674 N864	R674-N866 WeakPolarHBondContact CD-O 3.31Å; R674-N866 PolarHBondContact NE-O 3.15Å; N864-N866 PolarHBondContact O-N 2.86Å; N864-N866 VanDerWaalsContact OD1-CA 3.26Å; N864-N866 WeakPolarHBondContact OD1-CA 3.49Å; N864-N866 WeakPolarHBondContact OD1-CB 3.34Å; N864-N866 PolarHBondContact OD1-N 2.92Å
867	T	90.4	Very high	92.6	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.018	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-46	172.4	-46.3	0	0	0	0	112.1	R667 G840 Y862 V863 N864 I901	R667-T867 WeakPolarHBondContact CD-O 3.41Å; G840-T867 VanDerWaalsContact O-CG2 3.3Å; G840-T867 WeakPolarHBondContact O-CG2 3.3Å; Y862-T867 PolarHBondContact O-OG1 3Å; V863-T867 HydrophobicContact CB-CG2 4.48Å; V863-T867 HydrophobicContact CG1-CG2 4.13Å; N864-T867 PolarHBondContact N-OG1 2.98Å; N864-T867 WeakPolarHBondContact O-CB 3.3Å; N864-T867 PolarHBondContact O-N 3.36Å; N864-T867 VanDerWaalsContact O-N 3.11Å; N864-T867 PolarHBondContact OD1-N 2.83Å; N864-T867 PolarHBondContact OD1-OG1 2.91Å; T867-I901 HydrophobicContact CG2-CD1 3.6Å
868	G	91.1	Very high	92.5	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.01	16%	0.159	C	C	.	.	S	Bend	trans	-80	-179.4	-173.8	0	0	0	0	0	114.9	R674 N864	R674-G868 WeakPolarHBondContact CD-O 3.47Å; R674-G868 PolarHBondContact NH1-O 3.36Å; N864-G868 PolarHBondContact O-N 2.87Å
869	P	93.4	Very high	92.4	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.058	15%	0.147	C	C	.	.			trans	-69.6	154.6	-179.8	24.3	-29	0	0	0	112.7	Q873 E874 I901 R903	P869-Q873 VanDerWaalsContact CA-OE1 3.24Å; P869-Q873 HydrophobicContact CB-CB 3.83Å; P869-E874 WeakPolarHBondContact CB-O 3.27Å; P869-I901 WeakPolarHBondContact CD-O 3.48Å; P869-R903 HydrophobicContact CG-CG 4.15Å
870	T	93.4	Very high	92.4	Very high	21 Å²	21	29 Å²	29	13%	0.129	15%	0.145	C	C	.	.			trans	-70.1	176	173.9	69.6	0	0	0	0	111.8	I669 Q672 R674 E872 Q873 R903	I669-T870 HydrophobicContact CD1-CG2 3.78Å; Q672-T870 WeakPolarHBondContact O-CB 3.37Å; Q672-T870 WeakPolarHBondContact O-CG2 3.48Å; Q672-T870 PolarHBondContact O-OG1 2.75Å; R674-T870 HydrophobicContact CB-CG2 3.9Å; T870-E872 VanDerWaalsContact C-N 3.26Å; T870-E872 PolarHBondContact OG1-N 3.07Å; T870-Q873 WeakPolarHBondContact OG1-CG 3.49Å; T870-Q873 PolarHBondContact OG1-N 2.9Å; T870-R903 PolarHBondContact O-NE 3.25Å
871	T	91	Very high	92.6	Very high	95 Å²	95	25.3 Å²	25.3	58%	0.583	13%	0.128	S	C	*	.	S	Bend	trans	-67.5	-31.9	174.4	45.3	0	0	0	0	112.7	R903	T871-R903 PolarHBondContact O-NH1 2.92Å; T871-R903 PolarHBondContact O-NH2 2.6Å
872	E	90.4	Very high	92.7	Very high	75 Å²	75	26 Å²	26	35%	0.35	13%	0.131	S	C	.	.	S	Bend	trans	-82.7	-24	-176.4	-50.6	-44.1	132.3	0	0	112.4	Q672 T870 K1009	Q672-E872 HydrophobicContact CB-CB 4.08Å; Q672-E872 HydrophobicContact CB-CG 4.27Å; T870-E872 VanDerWaalsContact C-N 3.26Å; T870-E872 PolarHBondContact OG1-N 3.07Å; E872-K1009 WeakPolarHBondContact O-CD 3.46Å
873	Q	91.6	Very high	92.9	Very high	14 Å²	14	25.1 Å²	25.1	7%	0.065	13%	0.128	C	C	.	.	S	Bend	trans	-73.1	172	171.6	-81.7	-179.5	-53.5	0	0	113.6	N673 R674 P869 T870 R903	N673-Q873 VanDerWaalsContact CA-CD 3.45Å; N673-Q873 VanDerWaalsContact CA-NE2 3.35Å; N673-Q873 HydrophobicContact CB-CG 3.86Å; N673-Q873 VanDerWaalsContact CB-NE2 3.28Å; N673-Q873 VanDerWaalsContact CG-CG 3.42Å; N673-Q873 WeakPolarHBondContact OD1-CG 3.45Å; R674-Q873 PolarHBondContact O-NE2 3.24Å; P869-Q873 VanDerWaalsContact CA-OE1 3.24Å; P869-Q873 HydrophobicContact CB-CB 3.83Å; T870-Q873 WeakPolarHBondContact OG1-CG 3.49Å; T870-Q873 PolarHBondContact OG1-N 2.9Å; Q873-R903 PolarHBondContact O-NH2 2.86Å
874	E	91.4	Very high	93	Very high	14 Å²	14	26.7 Å²	26.7	7%	0.065	14%	0.137	C	C	.	.			trans	-54.5	153.4	166.4	-72.3	-54.6	155.1	0	0	113.8	P869 C876 K1009 T1029 K1031	P869-E874 WeakPolarHBondContact CB-O 3.27Å; E874-C876 PolarHBondContact O-N 3.08Å; E874-K1009 HydrophobicContact CG-CB 4.39Å; E874-K1009 HydrophobicContact CG-CD 4.44Å; E874-K1009 HydrophobicContact CG-CG 4.47Å; E874-K1009 VanDerWaalsContact OE1-CD 3.23Å; E874-K1009 WeakPolarHBondContact OE1-CD 3.31Å; E874-K1009 WeakPolarHBondContact OE1-CE 2.97Å; E874-K1009 WeakPolarHBondContact OE1-CG 3.32Å; E874-T1029 HydrophobicContact CB-CG2 4.35Å; E874-T1029 HydrophobicContact CG-CG2 4.39Å; E874-K1031 VanDerWaalsContact OE1-CE 3.28Å; E874-K1031 WeakPolarHBondContact OE1-CE 3.36Å; E874-K1031 IonicContact OE1-NZ 3.45Å; E874-K1031 PolarHBondContact OE1-NZ 3.13Å; E874-K1031 WeakPolarHBondContact OE2-CE 3.07Å; E874-K1031 IonicContact OE2-NZ 3.2Å; E874-K1031 PolarHBondContact OE2-NZ 2.75Å
875	E	89.9	Confident	93.2	Very high	32 Å²	32	27.4 Å²	27.4	15%	0.15	15%	0.146	C	C	.	.	S	Bend	trans	-58.4	-32	-179	-174.2	174.3	-173.9	0	0	111.3	C902 R903 K913	E875-C902 CarbonylContact O-C 3.53Å; E875-C902 WeakPolarHBondContact O-CA 3.25Å; E875-R903 PolarHBondContact O-N 2.95Å; E875-K913 IonicContact OE1-NZ 3.57Å; E875-K913 PolarHBondContact OE1-NZ 2.92Å; E875-K913 IonicContact OE2-NZ 3.79Å; E875-K913 PolarHBondContact OE2-NZ 2.96Å
876	C	92	Very high	93.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138	176.3	-54.6	0	0	0	0	111	E874 V900 I901 C902 R908 Y986 T1029	E874-C876 PolarHBondContact O-N 3.08Å; C876-V900 HydrophobicContact CB-CG1 3.96Å; C876-I901 VanDerWaalsContact CA-O 3.3Å; C876-I901 WeakPolarHBondContact CA-O 3.49Å; C876-C902 HydrophobicContact CB-CB 4.12Å; C876-C902 WeakPolarHBondContact CB-SG 3.23Å; C876-C902 WeakPolarHBondContact SG-CB 3.46Å; C876-C902 CovalentContact SG-SG 2.04Å; C876-C902 PolarHBondContact SG-SG 2.9Å; C876-R908 PolarHBondContact SG-NH1 2.75Å; C876-Y986 HydrophobicContact CB-CE1 4.29Å; C876-T1029 PolarHBondContact O-OG1 2.94Å
877	S	93.1	Very high	93.6	Very high	14 Å²	14	21.7 Å²	21.7	10%	0.098	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	144.8	171.5	57	0	0	0	0	109.8	I901	S877-I901 PolarHBondContact N-O 3.38Å; S877-I901 PolarHBondContact O-N 2.95Å
878	V	95.6	Very high	93.6	Very high	7 Å²	7	21.8 Å²	21.8	4%	0.042	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	146.9	171.5	58.6	0	0	0	0	110.9	P898 L899 Y986 M988 F1027	V878-P898 HydrophobicContact CG2-CB 4.14Å; V878-L899 CarbonylContact C-O 3.59Å; V878-L899 WeakPolarHBondContact CA-O 3.2Å; V878-Y986 HydrophobicContact CB-CD1 3.74Å; V878-Y986 HydrophobicContact CB-CG 3.99Å; V878-Y986 HydrophobicContact CG1-CD1 3.92Å; V878-Y986 HydrophobicContact CG1-CG 4.26Å; V878-Y986 HydrophobicContact CG2-CG 4.48Å; V878-M988 HydrophobicContact CG2-CG 4.01Å; V878-M988 HydrophobicContact CG2-SD 3.75Å; V878-F1027 HydrophobicContact CG1-CB 4.23Å; V878-F1027 VanDerWaalsContact O-CB 3.3Å; V878-F1027 WeakPolarHBondContact O-CB 3.3Å
879	S	95.6	Very high	93.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	162.7	166.4	-58.1	0	0	0	0	108.9	L899	S879-L899 PolarHBondContact N-O 2.75Å; S879-L899 PolarHBondContact O-N 2.87Å
880	A	97.1	Very high	94.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	145.3	175.1	0	0	0	0	0	113.4	A838 H839 I896 G897 M988 F1027	A838-A880 WeakPolarHBondContact CA-O 3.25Å; H839-A880 PolarHBondContact N-O 2.77Å; H839-A880 PolarHBondContact ND1-O 2.56Å; A880-I896 HydrophobicContact CB-CD1 3.7Å; A880-G897 CarbonylContact C-O 3.46Å; A880-G897 WeakPolarHBondContact CA-O 3.38Å; A880-M988 HydrophobicContact CB-SD 4.34Å; A880-F1027 HydrophobicContact CB-CD1 4.49Å; A880-F1027 HydrophobicContact CB-CE1 3.56Å; A880-F1027 HydrophobicContact CB-CE2 4.48Å; A880-F1027 HydrophobicContact CB-CZ 3.55Å
881	Y	98.1	Very high	94.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.9	160.7	71	-98.1	0	0	0	111.3	Y786 G811 P812 I814 I836 H837 W861 I896 G897 P898 L899	Y786-Y881 HydrophobicContact CD2-CD2 4.03Å; Y786-Y881 AromaticContact CD2-CE2 3.49Å; Y786-Y881 HydrophobicContact CD2-CE2 3.49Å; Y786-Y881 VanDerWaalsContact CD2-CE2 3.49Å; Y786-Y881 AromaticContact CE2-CD2 3.91Å; Y786-Y881 HydrophobicContact CE2-CD2 3.91Å; Y786-Y881 AromaticContact CE2-CE2 3.86Å; Y786-Y881 HydrophobicContact CE2-CE2 3.86Å; Y786-Y881 AromaticContact CG-CE2 3.97Å; Y786-Y881 HydrophobicContact CG-CE2 3.97Å; G811-Y881 VanDerWaalsContact CA-OH 3.23Å; G811-Y881 WeakPolarHBondContact CA-OH 3.45Å; P812-Y881 WeakPolarHBondContact CD-OH 3.4Å; P812-Y881 VanDerWaalsContact N-OH 3.16Å; P812-Y881 WeakPolarHBondContact O-CE1 3.21Å; P812-Y881 PolarHBondContact O-OH 2.9Å; I814-Y881 HydrophobicContact CD1-CD1 3.8Å; I814-Y881 HydrophobicContact CD1-CE1 3.51Å; I814-Y881 HydrophobicContact CD1-CE2 4.42Å; I814-Y881 HydrophobicContact CD1-CG 4.36Å; I814-Y881 HydrophobicContact CG1-CD1 4.38Å; I814-Y881 HydrophobicContact CG1-CE1 3.78Å; I836-Y881 HydrophobicContact CD1-CD2 3.6Å; I836-Y881 HydrophobicContact CD1-CE2 3.76Å; I836-Y881 HydrophobicContact CG1-CD2 3.84Å; I836-Y881 HydrophobicContact CG1-CE2 4.48Å; H837-Y881 CarbonylContact O-C 3.55Å; H837-Y881 WeakPolarHBondContact O-CA 3.44Å; H837-Y881 VanDerWaalsContact O-CB 3.27Å; H837-Y881 WeakPolarHBondContact O-CB 3.49Å; W861-Y881 HydrophobicContact CH2-CG 4.37Å; Y881-I896 CarbonylContact O-C 3.6Å; Y881-I896 WeakPolarHBondContact O-CA 3.38Å; Y881-G897 WeakPolarHBondContact CD1-O 3.35Å; Y881-G897 WeakPolarHBondContact CE1-O 3.35Å; Y881-G897 PolarHBondContact N-O 2.02Å; Y881-G897 PolarHBondContact O-N 2.87Å; Y881-P898 WeakPolarHBondContact CE1-O 3.12Å; Y881-L899 HydrophobicContact CD1-CB 4.32Å
882	Y	97.6	Very high	94.6	Very high	15 Å²	15	18.1 Å²	18.1	6%	0.059	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	172.2	-168.1	63.9	-73	0	0	0	110.7	Y786 H837 H839 T884 V887 L895	Y786-Y882 VanDerWaalsContact OH-C 3.25Å; H837-Y882 PolarHBondContact N-O 3.02Å; H837-Y882 PolarHBondContact O-N 2.68Å; H839-Y882 AromaticContact CE1-CE1 3.3Å; H839-Y882 WeakPolarHBondContact CE1-CE1 3.23Å; H839-Y882 AromaticContact CE1-CZ 3.85Å; H839-Y882 AromaticContact ND1-CD1 3.84Å; H839-Y882 AromaticContact ND1-CE1 3.3Å; H839-Y882 VanDerWaalsContact ND1-CE1 3.3Å; H839-Y882 WeakPolarHBondContact ND1-CE1 3.3Å; Y882-T884 HydrophobicContact CD2-CG2 4.48Å; Y882-T884 HydrophobicContact CE2-CG2 3.99Å; Y882-V887 HydrophobicContact CD2-CG1 4.35Å; Y882-V887 HydrophobicContact CE2-CG1 3.91Å; Y882-V887 HydrophobicContact CE2-CG2 4.22Å; Y882-L895 WeakPolarHBondContact CA-O 3.22Å
883	S	97.8	Very high	94.9	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.007	8%	0.081	C	C	.	.			trans	-85.9	141.4	173.9	-178.3	0	0	0	0	110.8	Y786 S835 A885 D890	Y786-S883 PolarHBondContact OH-N 3.42Å; Y786-S883 VanDerWaalsContact OH-N 3.13Å; S835-S883 PolarHBondContact N-OG 2.79Å; S835-S883 WeakPolarHBondContact O-CB 3.47Å; S883-A885 PolarHBondContact OG-N 3.12Å; S883-D890 VanDerWaalsContact CB-OD2 3.25Å; S883-D890 WeakPolarHBondContact CB-OD2 3.18Å; S883-D890 PolarHBondContact OG-OD2 3.33Å
884	T	94.8	Very high	95.2	Very high	34 Å²	34	13.9 Å²	13.9	21%	0.209	8%	0.078	C	C	.	.			trans	-113.9	10.4	179.7	67.5	0	0	0	0	112.2	S835 H837 V848 Y882	S835-T884 PolarHBondContact OG-N 2.97Å; S835-T884 PolarHBondContact OG-OG1 3.35Å; H837-T884 HydrophobicContact CB-CG2 3.65Å; V848-T884 WeakPolarHBondContact CB-OG1 3.37Å; V848-T884 WeakPolarHBondContact CG1-OG1 3.41Å; Y882-T884 HydrophobicContact CD2-CG2 4.48Å; Y882-T884 HydrophobicContact CE2-CG2 3.99Å
885	A	94.9	Very high	95.6	Very high	30 Å²	30	13.2 Å²	13.2	25%	0.248	8%	0.075	C	C	.	.	S	Bend	trans	-71.2	-49	176.9	0	0	0	0	0	110.2	Q850 S883	Q850-A885 HydrophobicContact CG-CB 4.12Å; S883-A885 PolarHBondContact OG-N 3.12Å
886	D	93.8	Very high	96	Very high	50 Å²	50	11.7 Å²	11.7	27%	0.267	7%	0.068	S	C	.	.	S	Bend	trans	-137	99.6	162.3	-175.3	-40.6	0	0	0	107.6	T888 K889 D890 W932	D886-T888 PolarHBondContact O-N 3.4Å; D886-T888 VanDerWaalsContact O-N 3.14Å; D886-T888 PolarHBondContact OD1-N 2.88Å; D886-K889 HydrophobicContact CB-CB 4.32Å; D886-K889 PolarHBondContact O-N 2.83Å; D886-K889 WeakPolarHBondContact OD1-CG 3.26Å; D886-K889 PolarHBondContact OD1-N 3.1Å; D886-K889 WeakPolarHBondContact OD2-CD 3.25Å; D886-D890 PolarHBondContact N-OD2 2.92Å; D886-D890 WeakPolarHBondContact O-CB 3.43Å; D886-D890 PolarHBondContact O-N 3.44Å; D886-W932 HydrophobicContact CB-CZ2 3.88Å; D886-W932 WeakPolarHBondContact OD2-CZ2 3.42Å
887	V	91.6	Very high	96.3	Very high	41 Å²	41	11.7 Å²	11.7	25%	0.248	7%	0.068	C	C	.	.	H	α-helix	trans	-55.2	-39.1	-170.1	175.1	0	0	0	0	111.7	Y882 L891	Y882-V887 HydrophobicContact CD2-CG1 4.35Å; Y882-V887 HydrophobicContact CE2-CG1 3.91Å; Y882-V887 HydrophobicContact CE2-CG2 4.22Å; V887-L891 WeakPolarHBondContact O-CB 2.97Å; V887-L891 PolarHBondContact O-N 3.02Å
888	T	91.9	Very high	96.5	Very high	4 Å²	4	11 Å²	11	3%	0.025	6%	0.063	C	C	.	.	H	α-helix	trans	-78	-55.7	-176.7	-56.3	0	0	0	0	111.3	V705 R709 D886 D890 L891 Y892	V705-T888 HydrophobicContact CB-CG2 4.35Å; V705-T888 HydrophobicContact CG1-CG2 3.31Å; V705-T888 HydrophobicContact CG2-CG2 4.04Å; R709-T888 VanDerWaalsContact NH2-CG2 3.26Å; D886-T888 PolarHBondContact O-N 3.4Å; D886-T888 VanDerWaalsContact O-N 3.14Å; D886-T888 PolarHBondContact OD1-N 2.88Å; T888-D890 VanDerWaalsContact C-N 3.32Å; T888-D890 PolarHBondContact O-N 2.59Å; T888-L891 PolarHBondContact O-N 2.55Å; T888-Y892 HydrophobicContact CG2-CD2 3.85Å; T888-Y892 HydrophobicContact CG2-CE2 3.75Å; T888-Y892 WeakPolarHBondContact O-CD2 3.25Å; T888-Y892 PolarHBondContact O-N 2.82Å
889	K	95.9	Very high	96.6	Very high	39 Å²	39	10.8 Å²	10.8	17%	0.17	6%	0.061	C	C	.	.	H	α-helix	trans	-70.4	-33.9	-172.1	-57	-170.4	76.5	60.4	0	111.2	D886 S893 E930 W932	D886-K889 HydrophobicContact CB-CB 4.32Å; D886-K889 PolarHBondContact O-N 2.83Å; D886-K889 WeakPolarHBondContact OD1-CG 3.26Å; D886-K889 PolarHBondContact OD1-N 3.1Å; D886-K889 WeakPolarHBondContact OD2-CD 3.25Å; K889-S893 WeakPolarHBondContact O-CB 3.21Å; K889-S893 PolarHBondContact O-N 3.49Å; K889-S893 PolarHBondContact O-OG 3.25Å; K889-E930 WeakPolarHBondContact CE-O 3.42Å; K889-E930 WeakPolarHBondContact CG-O 3.26Å; K889-E930 PolarHBondContact NZ-O 3.19Å; K889-E930 IonicContact NZ-OE2 3.41Å; K889-E930 PolarHBondContact NZ-OE2 2.89Å; K889-W932 HydrophobicContact CB-CD2 4.1Å; K889-W932 HydrophobicContact CB-CG 4.33Å; K889-W932 HydrophobicContact CB-CZ2 3.95Å; K889-W932 HydrophobicContact CD-CD2 4.23Å; K889-W932 HydrophobicContact CD-CE3 4.18Å; K889-W932 HydrophobicContact CD-CH2 3.68Å; K889-W932 HydrophobicContact CD-CZ2 3.72Å; K889-W932 HydrophobicContact CD-CZ3 3.91Å; K889-W932 HydrophobicContact CG-CZ2 4.36Å
890	D	97.7	Very high	96.6	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-70.9	-37	178.7	-58.4	-10	0	0	0	112	Y834 S883 D886 T888 G894 L895 W932	Y834-D890 HydrophobicContact CD1-CB 4.3Å; Y834-D890 HydrophobicContact CE1-CB 4.28Å; Y834-D890 WeakPolarHBondContact CE1-OD1 3.45Å; S883-D890 VanDerWaalsContact CB-OD2 3.25Å; S883-D890 WeakPolarHBondContact CB-OD2 3.18Å; S883-D890 PolarHBondContact OG-OD2 3.33Å; D886-D890 PolarHBondContact N-OD2 2.92Å; D886-D890 WeakPolarHBondContact O-CB 3.43Å; D886-D890 PolarHBondContact O-N 3.44Å; T888-D890 VanDerWaalsContact C-N 3.32Å; T888-D890 PolarHBondContact O-N 2.59Å; D890-G894 PolarHBondContact O-N 3.33Å; D890-L895 HydrophobicContact CB-CD1 4.36Å; D890-L895 PolarHBondContact O-N 2.92Å; D890-W932 PolarHBondContact OD1-NE1 2.93Å
891	L	96.9	Very high	96.5	Very high	6 Å²	6	10.8 Å²	10.8	3%	0.031	6%	0.061	C	C	.	.	H	α-helix	trans	-61.1	-56.7	175.4	174.1	65.3	0	0	0	110.5	V887 T888 S893 G894 I896 L924 M990	V887-L891 WeakPolarHBondContact O-CB 2.97Å; V887-L891 PolarHBondContact O-N 3.02Å; T888-L891 PolarHBondContact O-N 2.55Å; L891-S893 VanDerWaalsContact C-N 3.26Å; L891-S893 PolarHBondContact O-N 3.08Å; L891-G894 WeakPolarHBondContact O-CA 3.42Å; L891-G894 PolarHBondContact O-N 3.37Å; L891-I896 HydrophobicContact CD1-CB 4.13Å; L891-I896 HydrophobicContact CD1-CD1 4.08Å; L891-I896 HydrophobicContact CD1-CG1 4.27Å; L891-L924 HydrophobicContact CD1-CD2 4.26Å; L891-L924 HydrophobicContact CG-CD2 4.41Å; L891-M990 HydrophobicContact CD1-CB 4.42Å; L891-M990 HydrophobicContact CD1-CE 4.34Å; L891-M990 HydrophobicContact CD2-CB 4.27Å; L891-M990 HydrophobicContact CD2-CE 4.14Å
892	Y	98.1	Very high	96.2	Very high	3 Å²	3	11.2 Å²	11.2	1%	0.012	7%	0.065	C	C	.	.	H	α-helix	trans	-66.7	-27.7	-179.3	-68.3	-54.1	0	0	0	113	V705 K783 T888 G894 L924 V925 D927 E930	V705-Y892 HydrophobicContact CG1-CE2 4.37Å; V705-Y892 HydrophobicContact CG2-CE2 4.14Å; K783-Y892 PolarHBondContact NZ-O 3.33Å; T888-Y892 HydrophobicContact CG2-CD2 3.85Å; T888-Y892 HydrophobicContact CG2-CE2 3.75Å; T888-Y892 WeakPolarHBondContact O-CD2 3.25Å; T888-Y892 PolarHBondContact O-N 2.82Å; Y892-G894 PolarHBondContact O-N 2.84Å; Y892-L924 HydrophobicContact CE1-CD1 4.06Å; Y892-V925 VanDerWaalsContact CE1-O 3.3Å; Y892-V925 WeakPolarHBondContact CE1-O 3.36Å; Y892-D927 WeakPolarHBondContact CB-O 3.32Å; Y892-D927 HydrophobicContact CD1-CB 4.04Å; Y892-D927 HydrophobicContact CD2-CB 4.38Å; Y892-D927 HydrophobicContact CE1-CB 3.95Å; Y892-D927 HydrophobicContact CE2-CB 4.25Å; Y892-D927 HydrophobicContact CG-CB 4.27Å; Y892-E930 HydrophobicContact CD2-CB 3.48Å; Y892-E930 VanDerWaalsContact CD2-CB 3.48Å; Y892-E930 HydrophobicContact CD2-CG 4.18Å; Y892-E930 HydrophobicContact CE2-CB 4.11Å; Y892-E930 HydrophobicContact CE2-CG 4.33Å; Y892-E930 HydrophobicContact CG-CB 4.19Å
893	S	98.4	Very high	95.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-68.2	-18.6	171.2	-59.2	0	0	0	0	113.4	K783 V784 K889 L891 W932	K783-S893 WeakPolarHBondContact CA-O 3.07Å; K783-S893 WeakPolarHBondContact CB-O 3.28Å; V784-S893 PolarHBondContact N-O 2.95Å; K889-S893 WeakPolarHBondContact O-CB 3.21Å; K889-S893 PolarHBondContact O-N 3.49Å; K889-S893 PolarHBondContact O-OG 3.25Å; L891-S893 VanDerWaalsContact C-N 3.26Å; L891-S893 PolarHBondContact O-N 3.08Å; S893-W932 PolarHBondContact OG-N 3.21Å
894	G	97.8	Very high	95.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	125.3	6.2	169.8	0	0	0	0	0	117	V784 D890 L891 Y892 I896	V784-G894 CarbonylContact O-C 3.54Å; V784-G894 WeakPolarHBondContact O-CA 3.27Å; D890-G894 PolarHBondContact O-N 3.33Å; L891-G894 WeakPolarHBondContact O-CA 3.42Å; L891-G894 PolarHBondContact O-N 3.37Å; Y892-G894 PolarHBondContact O-N 2.84Å; G894-I896 PolarHBondContact O-N 3.09Å; G894-I896 VanDerWaalsContact O-N 3.17Å
895	L	98.6	Very high	94.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.			trans	-86.1	86.6	-176.7	-66.9	-175.4	0	0	0	113.1	A741 V784 Y786 Y834 Y882 D890	A741-L895 HydrophobicContact CB-CD2 4.14Å; V784-L895 HydrophobicContact CG1-CD1 4.29Å; V784-L895 HydrophobicContact CG1-CD2 4.1Å; V784-L895 HydrophobicContact CG1-CG 3.86Å; V784-L895 HydrophobicContact CG2-CD2 3.99Å; Y786-L895 HydrophobicContact CD1-CD2 3.99Å; Y786-L895 HydrophobicContact CD2-CB 4.36Å; Y786-L895 HydrophobicContact CD2-CD2 4.13Å; Y786-L895 HydrophobicContact CE1-CD2 3.89Å; Y786-L895 HydrophobicContact CE2-CB 3.69Å; Y786-L895 HydrophobicContact CE2-CD2 4.06Å; Y786-L895 HydrophobicContact CE2-CG 4.39Å; Y786-L895 HydrophobicContact CG-CD2 4.12Å; Y834-L895 HydrophobicContact CD1-CD1 3.55Å; Y834-L895 HydrophobicContact CD2-CD1 4.06Å; Y834-L895 HydrophobicContact CE1-CD1 4.05Å; Y834-L895 HydrophobicContact CE2-CD1 4.49Å; Y834-L895 HydrophobicContact CG-CD1 3.57Å; Y882-L895 WeakPolarHBondContact CA-O 3.22Å; D890-L895 HydrophobicContact CB-CD1 4.36Å; D890-L895 PolarHBondContact O-N 2.92Å
896	I	98.5	Very high	92.9	Very high	1 Å²	1	27 Å²	27	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	148.3	178.1	-171	64.5	0	0	0	110.7	M810 G811 A880 Y881 L891 G894 L922 M990	M810-I896 CarbonylContact C-O 3.57Å; M810-I896 WeakPolarHBondContact CA-O 3.26Å; M810-I896 HydrophobicContact CG-CG2 4.4Å; G811-I896 PolarHBondContact N-O 3.48Å; A880-I896 HydrophobicContact CB-CD1 3.7Å; Y881-I896 CarbonylContact O-C 3.6Å; Y881-I896 WeakPolarHBondContact O-CA 3.38Å; L891-I896 HydrophobicContact CD1-CB 4.13Å; L891-I896 HydrophobicContact CD1-CD1 4.08Å; L891-I896 HydrophobicContact CD1-CG1 4.27Å; G894-I896 PolarHBondContact O-N 3.09Å; G894-I896 VanDerWaalsContact O-N 3.17Å; I896-L922 HydrophobicContact CB-CD2 4.41Å; I896-L922 HydrophobicContact CG1-CD2 4.03Å; I896-L922 HydrophobicContact CG2-CD2 3.53Å; I896-M990 HydrophobicContact CD1-CG 4.25Å
897	G	98.1	Very high	91.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	164.6	170	0	0	0	0	0	114.5	A880 Y881	A880-G897 CarbonylContact C-O 3.46Å; A880-G897 WeakPolarHBondContact CA-O 3.38Å; Y881-G897 WeakPolarHBondContact CD1-O 3.35Å; Y881-G897 WeakPolarHBondContact CE1-O 3.35Å; Y881-G897 PolarHBondContact N-O 2.02Å; Y881-G897 PolarHBondContact O-N 2.87Å
898	P	97.8	Very high	90	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	128.5	-176.4	29.6	-32.3	0	0	0	113.6	L807 M813 I814 V878 Y881 A920 M988	L807-P898 HydrophobicContact CD2-CG 4.4Å; M813-P898 HydrophobicContact CB-CG 4.3Å; M813-P898 HydrophobicContact CG-CG 3.59Å; I814-P898 PolarHBondContact N-O 2.83Å; V878-P898 HydrophobicContact CG2-CB 4.14Å; Y881-P898 WeakPolarHBondContact CE1-O 3.12Å; P898-A920 HydrophobicContact CB-CB 4.12Å; P898-A920 HydrophobicContact CG-CB 3.94Å; P898-M988 HydrophobicContact CB-CE 3.81Å; P898-M988 HydrophobicContact CB-SD 3.97Å; P898-M988 HydrophobicContact CG-CE 4.39Å
899	L	97.5	Very high	88.5	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	115.9	164.9	173.5	65.6	0	0	0	109	I814 A838 V841 W861 V878 S879 Y881 I901	I814-L899 HydrophobicContact CB-CD1 3.97Å; I814-L899 HydrophobicContact CG2-CD1 3.72Å; I814-L899 WeakPolarHBondContact O-CD1 3.48Å; A838-L899 HydrophobicContact CB-CD2 3.59Å; V841-L899 HydrophobicContact CG1-CD2 3.33Å; W861-L899 HydrophobicContact CZ3-CD1 4.37Å; V878-L899 CarbonylContact C-O 3.59Å; V878-L899 WeakPolarHBondContact CA-O 3.2Å; S879-L899 PolarHBondContact N-O 2.75Å; S879-L899 PolarHBondContact O-N 2.87Å; Y881-L899 HydrophobicContact CD1-CB 4.32Å; L899-I901 HydrophobicContact CD1-CG1 4.38Å; L899-I901 HydrophobicContact CD2-CD1 4.04Å; L899-I901 HydrophobicContact CD2-CG1 4.29Å; L899-I901 HydrophobicContact CG-CD1 4.32Å; L899-I901 HydrophobicContact CG-CG1 4.01Å
900	V	96.1	Very high	86.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117	178.6	-179	0	0	0	0	109.4	M813 I814 H815 A816 C876 Y986	M813-V900 HydrophobicContact CE-CG2 3.79Å; I814-V900 PolarHBondContact O-N 3.07Å; H815-V900 WeakPolarHBondContact CA-O 3.48Å; A816-V900 PolarHBondContact N-O 2.79Å; C876-V900 HydrophobicContact CB-CG1 3.96Å; V900-Y986 HydrophobicContact CG1-CE1 4.12Å; V900-Y986 HydrophobicContact CG1-CE2 4.15Å; V900-Y986 HydrophobicContact CG2-CD2 4.04Å; V900-Y986 HydrophobicContact CG2-CE2 3.9Å; V900-Y986 HydrophobicContact CG2-CG 4.42Å
901	I	94.6	Very high	84.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.8	179.2	-55.4	179.4	0	0	0	109.8	A816 V818 V863 T867 P869 C876 S877 L899	A816-I901 WeakPolarHBondContact O-CA 3.38Å; V818-I901 HydrophobicContact CG2-CG2 4.42Å; V863-I901 HydrophobicContact CG1-CD1 4.24Å; V863-I901 HydrophobicContact CG1-CG1 4.48Å; V863-I901 HydrophobicContact CG1-CG2 3.5Å; T867-I901 HydrophobicContact CG2-CD1 3.6Å; P869-I901 WeakPolarHBondContact CD-O 3.48Å; C876-I901 VanDerWaalsContact CA-O 3.3Å; C876-I901 WeakPolarHBondContact CA-O 3.49Å; S877-I901 PolarHBondContact N-O 3.38Å; S877-I901 PolarHBondContact O-N 2.95Å; L899-I901 HydrophobicContact CD1-CG1 4.38Å; L899-I901 HydrophobicContact CD2-CD1 4.04Å; L899-I901 HydrophobicContact CD2-CG1 4.29Å; L899-I901 HydrophobicContact CG-CD1 4.32Å; L899-I901 HydrophobicContact CG-CG1 4.01Å
902	C	92.8	Very high	82.3	Confident	10 Å²	10	45 Å²	45	7%	0.068	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	149.9	179.7	-61.1	0	0	0	0	112.6	A816 S817 V818 E875 C876 R908	A816-C902 PolarHBondContact O-N 3.5Å; S817-C902 CarbonylContact C-O 3.55Å; S817-C902 VanDerWaalsContact CA-O 3.31Å; S817-C902 WeakPolarHBondContact CA-O 3.21Å; V818-C902 PolarHBondContact N-O 3.26Å; E875-C902 CarbonylContact O-C 3.53Å; E875-C902 WeakPolarHBondContact O-CA 3.25Å; C876-C902 HydrophobicContact CB-CB 4.12Å; C876-C902 WeakPolarHBondContact CB-SG 3.23Å; C876-C902 WeakPolarHBondContact SG-CB 3.46Å; C876-C902 CovalentContact SG-SG 2.04Å; C876-C902 PolarHBondContact SG-SG 2.9Å; C902-R908 PolarHBondContact SG-NH1 2.96Å
903	R	90.6	Very high	80.2	Confident	84 Å²	84	49.4 Å²	49.4	32%	0.317	25%	0.254	S	S	.	.			trans	-62.2	138.1	161.7	-69.1	-173.5	-82.2	164.9	-18.1	109.2	P869 T870 T871 Q873 E875 S905	P869-R903 HydrophobicContact CG-CG 4.15Å; T870-R903 PolarHBondContact O-NE 3.25Å; T871-R903 PolarHBondContact O-NH1 2.92Å; T871-R903 PolarHBondContact O-NH2 2.6Å; Q873-R903 PolarHBondContact O-NH2 2.86Å; E875-R903 PolarHBondContact O-N 2.95Å; R903-S905 PolarHBondContact O-N 3.49Å
904	R	83.8	Confident	77.9	Confident	95 Å²	95	57.2 Å²	57.2	36%	0.358	29%	0.288	S	S	.	.			trans	-67.5	125.5	-178.5	-176.7	168.4	-84.9	-178.4	-8	110.5	H733 D820	H733-R904 VanDerWaalsContact CB-NH2 3.3Å; H733-R904 PolarHBondContact CD2-NH2 2.57Å; H733-R904 PolarHBondContact CE1-NH1 2.98Å; H733-R904 PolarHBondContact ND1-NH1 3.04Å; H733-R904 VanDerWaalsContact ND1-NH1 3.12Å; H733-R904 PolarHBondContact ND1-NH2 3.01Å; D820-R904 IonicContact OD1-CZ 2.89Å; D820-R904 IonicContact OD1-NH2 3.75Å; D820-R904 PolarHBondContact OD1-NH2 2.84Å
905	S	75.8	Confident	76.1	Confident	29 Å²	29	64 Å²	64	20%	0.203	32%	0.32	C	S	.	.			trans	-133.5	118.1	179.6	-179.4	0	0	0	0	111.1	R903 A907 R908 S909	R903-S905 PolarHBondContact O-N 3.49Å; S905-A907 PolarHBondContact O-N 2.92Å; S905-R908 PolarHBondContact O-N 3.49Å; S905-S909 PolarHBondContact O-N 2.8Å; S905-S909 VanDerWaalsContact O-N 3.11Å; S905-S909 PolarHBondContact O-OG 3.16Å
906	W	65.1	Low	75	Confident	202 Å²	202	66 Å²	66	77%	0.765	33%	0.332	S	S	*	.	H	α-helix	trans	-60.7	-33.2	177.5	-74.9	95.8	0	0	0	112.6	S909 L910	W906-S909 PolarHBondContact O-N 3.12Å; W906-L910 WeakPolarHBondContact O-CB 3.45Å; W906-L910 WeakPolarHBondContact O-CD1 3.46Å; W906-L910 VanDerWaalsContact O-CG 3.26Å; W906-L910 WeakPolarHBondContact O-CG 3.41Å; W906-L910 PolarHBondContact O-N 2.96Å
907	A	61.1	Low	74.5	Confident	37 Å²	37	68.6 Å²	68.6	31%	0.306	34%	0.344	S	S	.	.	H	α-helix	trans	-66.8	-35.8	178	0	0	0	0	0	112.8	S905 G911 L912 K913	S905-A907 PolarHBondContact O-N 2.92Å; A907-G911 PolarHBondContact O-N 2.89Å; A907-L912 PolarHBondContact O-N 2.55Å; A907-K913 HydrophobicContact CB-CG 4.35Å; A907-K913 PolarHBondContact O-N 3.07Å
908	R	63.5	Low	74.2	Confident	80 Å²	80	70.1 Å²	70.1	30%	0.302	35%	0.352	S	S	.	.	H	α-helix	trans	-75.1	-39.7	175.5	-157.4	174.7	-175.7	179.2	-2.5	110.9	C876 C902 S905 L910 G911 E918	C876-R908 PolarHBondContact SG-NH1 2.75Å; C902-R908 PolarHBondContact SG-NH1 2.96Å; S905-R908 PolarHBondContact O-N 3.49Å; R908-L910 VanDerWaalsContact C-N 3.29Å; R908-L910 PolarHBondContact O-N 2.95Å; R908-G911 PolarHBondContact O-N 2.95Å; R908-E918 IonicContact CZ-OE1 3.49Å; R908-E918 IonicContact NH1-OE1 3.24Å; R908-E918 VanDerWaalsContact NH2-CD 3.27Å; R908-E918 IonicContact NH2-OE1 3.69Å; R908-E918 PolarHBondContact NH2-OE1 3.04Å; R908-E918 IonicContact NH2-OE2 3.59Å; R908-E918 PolarHBondContact NH2-OE2 2.9Å
909	S	60.9	Low	74.2	Confident	90 Å²	90	70.2 Å²	70.2	63%	0.629	35%	0.352	S	S	*	.	H	α-helix	trans	-66.1	-27	176.1	-60.5	0	0	0	0	114.2	S905 W906	S905-S909 PolarHBondContact O-N 2.8Å; S905-S909 VanDerWaalsContact O-N 3.11Å; S905-S909 PolarHBondContact O-OG 3.16Å; W906-S909 PolarHBondContact O-N 3.12Å
910	L	53.7	Low	74.2	Confident	113 Å²	113	70.1 Å²	70.1	59%	0.592	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	2.5	176.2	-69.7	167.3	0	0	0	113.3	W906 R908 L912	W906-L910 WeakPolarHBondContact O-CB 3.45Å; W906-L910 WeakPolarHBondContact O-CD1 3.46Å; W906-L910 VanDerWaalsContact O-CG 3.26Å; W906-L910 WeakPolarHBondContact O-CG 3.41Å; W906-L910 PolarHBondContact O-N 2.96Å; R908-L910 VanDerWaalsContact C-N 3.29Å; R908-L910 PolarHBondContact O-N 2.95Å; L910-L912 HydrophobicContact CB-CD1 3.7Å; L910-L912 HydrophobicContact CB-CG 3.92Å; L910-L912 HydrophobicContact CD1-CD1 3.98Å; L910-L912 HydrophobicContact CG-CD1 4.49Å; L910-L912 PolarHBondContact O-N 3.39Å
911	G	55.5	Low	74.3	Confident	65 Å²	65	70.1 Å²	70.1	67%	0.67	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	19.4	-177.6	0	0	0	0	0	114.4	A907 R908	A907-G911 PolarHBondContact O-N 2.89Å; R908-G911 PolarHBondContact O-N 2.95Å
912	L	50.8	Low	74.5	Confident	134 Å²	134	70.1 Å²	70.1	70%	0.702	35%	0.351	S	S	*	.			trans	-88.2	-8.5	-176.4	-66.9	166.4	0	0	0	113.2	A907 L910	A907-L912 PolarHBondContact O-N 2.55Å; L910-L912 HydrophobicContact CB-CD1 3.7Å; L910-L912 HydrophobicContact CB-CG 3.92Å; L910-L912 HydrophobicContact CD1-CD1 3.98Å; L910-L912 HydrophobicContact CG-CD1 4.49Å; L910-L912 PolarHBondContact O-N 3.39Å
913	K	52.8	Low	74.8	Confident	96 Å²	96	69.7 Å²	69.7	42%	0.417	35%	0.348	S	S	.	.	S	Bend	trans	-90.3	132.8	171.9	-98.6	-177.1	174.1	179.5	0	109.3	E875 A907	E875-K913 IonicContact OE1-NZ 3.57Å; E875-K913 PolarHBondContact OE1-NZ 2.92Å; E875-K913 IonicContact OE2-NZ 3.79Å; E875-K913 PolarHBondContact OE2-NZ 2.96Å; A907-K913 HydrophobicContact CB-CG 4.35Å; A907-K913 PolarHBondContact O-N 3.07Å
914	K	50.8	Low	75.2	Confident	165 Å²	165	65.7 Å²	65.7	72%	0.717	33%	0.333	S	S	*	.			trans	-49.7	153.6	176.1	-158.1	179.6	-177.4	-172.1	0	112	V916	K914-V916 PolarHBondContact O-N 3.33Å
915	E	59.3	Low	75.9	Confident	142 Å²	142	61.3 Å²	61.3	66%	0.664	32%	0.317	S	S	*	.			trans	-43	119.4	173.4	-69.8	157.4	177	0	0	110.8
916	V	76.4	Confident	76.9	Confident	43 Å²	43	59.9 Å²	59.9	26%	0.261	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.4	174.2	168.9	0	0	0	0	104.7	K914 E918 K982 Y984	K914-V916 PolarHBondContact O-N 3.33Å; V916-E918 HydrophobicContact CG1-CG 4.22Å; V916-K982 WeakPolarHBondContact CA-O 3.46Å; V916-Y984 HydrophobicContact CG1-CD2 3.29Å; V916-Y984 HydrophobicContact CG1-CE2 3.57Å
917	E	87	Confident	78.5	Confident	54 Å²	54	51.5 Å²	51.5	25%	0.252	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	139.1	173.8	-62.7	-55	143.9	0	0	109.3	F919 K982 V983 Y984	E917-F919 HydrophobicContact CB-CE2 4.24Å; E917-F919 HydrophobicContact CB-CZ 4.27Å; E917-K982 PolarHBondContact N-O 3.26Å; E917-V983 HydrophobicContact CB-CG1 4.36Å; E917-V983 HydrophobicContact CB-CG2 4.27Å; E917-V983 CarbonylContact O-C 3.53Å; E917-V983 WeakPolarHBondContact O-CA 3.48Å; E917-Y984 PolarHBondContact O-N 2.98Å
918	E	93.2	Very high	80.3	Confident	33 Å²	33	49.8 Å²	49.8	15%	0.154	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	117.8	-177	-67.7	-170.3	132.6	0	0	109.5	H806 M813 H815 R908 V916 Y984 Y986	H806-E918 PolarHBondContact CE1-O 3.31Å; M813-E918 HydrophobicContact CE-CB 4.4Å; H815-E918 IonicContact CD2-OE2 3.79Å; H815-E918 IonicContact CE1-OE2 3.08Å; H815-E918 IonicContact NE2-OE2 2.86Å; H815-E918 PolarHBondContact NE2-OE2 2.96Å; R908-E918 IonicContact CZ-OE1 3.49Å; R908-E918 IonicContact NH1-OE1 3.24Å; R908-E918 VanDerWaalsContact NH2-CD 3.27Å; R908-E918 IonicContact NH2-OE1 3.69Å; R908-E918 PolarHBondContact NH2-OE1 3.04Å; R908-E918 IonicContact NH2-OE2 3.59Å; R908-E918 PolarHBondContact NH2-OE2 2.9Å; V916-E918 HydrophobicContact CG1-CG 4.22Å; E918-Y984 WeakPolarHBondContact CA-O 3.47Å; E918-Y986 HydrophobicContact CB-CE2 3.88Å; E918-Y986 HydrophobicContact CG-CE2 3.97Å; E918-Y986 PolarHBondContact OE1-OH 3.18Å
919	F	97.1	Very high	81.9	Confident	1 Å²	1	47.2 Å²	47.2	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.6	174.9	-58.8	-57.6	0	0	0	110.2	H806 E917 G974 L975 N976 M977 V983 Y984 W985 Y986	H806-F919 AromaticContact CE1-CD1 3.83Å; H806-F919 AromaticContact CG-CD1 3.99Å; H806-F919 AromaticContact ND1-CD1 3.69Å; H806-F919 WeakPolarHBondContact NE2-CA 3.38Å; E917-F919 HydrophobicContact CB-CE2 4.24Å; E917-F919 HydrophobicContact CB-CZ 4.27Å; F919-G974 WeakPolarHBondContact CE1-O 3.16Å; F919-L975 HydrophobicContact CB-CD2 3.97Å; F919-L975 HydrophobicContact CD1-CD2 3.56Å; F919-L975 HydrophobicContact CD2-CD2 4.38Å; F919-L975 HydrophobicContact CE1-CD2 4.17Å; F919-L975 HydrophobicContact CG-CD2 3.7Å; F919-N976 WeakPolarHBondContact CZ-O 3.31Å; F919-M977 HydrophobicContact CD2-CE 4.09Å; F919-M977 HydrophobicContact CE2-CE 3.35Å; F919-M977 HydrophobicContact CE2-SD 4.5Å; F919-M977 HydrophobicContact CZ-CE 4.05Å; F919-V983 HydrophobicContact CD2-CG1 3.45Å; F919-V983 VanDerWaalsContact CD2-CG1 3.45Å; F919-V983 HydrophobicContact CE2-CG1 3.51Å; F919-Y984 PolarHBondContact N-O 2.8Å; F919-W985 HydrophobicContact CB-CD2 4.26Å; F919-W985 HydrophobicContact CB-CE3 3.58Å; F919-W985 HydrophobicContact CB-CZ3 3.83Å; F919-W985 HydrophobicContact CD2-CD2 4.12Å; F919-W985 AromaticContact CD2-CE3 3.96Å; F919-W985 HydrophobicContact CD2-CE3 3.96Å; F919-W985 AromaticContact CD2-CH2 3.87Å; F919-W985 HydrophobicContact CD2-CH2 3.87Å; F919-W985 HydrophobicContact CD2-CZ2 4.03Å; F919-W985 AromaticContact CD2-CZ3 3.83Å; F919-W985 HydrophobicContact CD2-CZ3 3.83Å; F919-W985 HydrophobicContact CE2-CH2 4.47Å; F919-W985 HydrophobicContact CG-CE3 4.15Å; F919-W985 HydrophobicContact CG-CH2 4.46Å; F919-W985 HydrophobicContact CG-CZ3 4.03Å; F919-W985 CarbonylContact O-C 3.59Å; F919-W985 WeakPolarHBondContact O-CA 3.3Å; F919-Y986 PolarHBondContact O-N 3.02Å
920	A	97.7	Very high	83.5	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.1	169.5	0	0	0	0	0	110.2	H806 L807 M810 M813 P898 N965 Y986	H806-A920 PolarHBondContact CD2-O 2.81Å; H806-A920 VanDerWaalsContact CD2-O 3.29Å; H806-A920 PolarHBondContact NE2-N 3.4Å; L807-A920 HydrophobicContact CD2-CB 3.95Å; M810-A920 HydrophobicContact CE-CB 4.02Å; M810-A920 WeakPolarHBondContact CE-O 3.28Å; M813-A920 HydrophobicContact CE-CB 4.45Å; M813-A920 HydrophobicContact SD-CB 4.49Å; P898-A920 HydrophobicContact CB-CB 4.12Å; P898-A920 HydrophobicContact CG-CB 3.94Å; A920-N965 PolarHBondContact O-ND2 3.43Å; A920-Y986 CarbonylContact C-O 3.58Å; A920-Y986 WeakPolarHBondContact CA-O 3.42Å
921	L	98.5	Very high	85.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	123	-179.9	-58.7	177.5	0	0	0	109.6	F923 I964 N965 L972 L975 W985 Y986 L987 M988 L1042	L921-F923 HydrophobicContact CB-CD2 4.33Å; L921-F923 HydrophobicContact CB-CE2 3.79Å; L921-F923 HydrophobicContact CD1-CE2 4.12Å; L921-I964 HydrophobicContact CD2-CG2 4.14Å; L921-N965 WeakPolarHBondContact CA-OD1 3.43Å; L921-L972 HydrophobicContact CD2-CD2 4.11Å; L921-L975 HydrophobicContact CD2-CD1 4.36Å; L921-L975 HydrophobicContact CD2-CD2 4.24Å; L921-W985 HydrophobicContact CD1-CE3 3.53Å; L921-W985 HydrophobicContact CD1-CZ3 3.74Å; L921-W985 HydrophobicContact CD2-CZ3 4.48Å; L921-W985 HydrophobicContact CG-CE3 4.1Å; L921-W985 HydrophobicContact CG-CZ3 4.33Å; L921-Y986 PolarHBondContact N-O 2.85Å; L921-L987 HydrophobicContact CB-CD2 4.34Å; L921-L987 HydrophobicContact CD1-CD2 4.1Å; L921-L987 CarbonylContact O-C 3.54Å; L921-M988 PolarHBondContact O-N 2.94Å; L921-L1042 HydrophobicContact CD1-CD2 3.67Å
922	L	98.6	Very high	87.6	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.3	168.5	174	67.2	0	0	0	107.9	M810 I896 L924 F926 I964 N965 M988 M990	M810-L922 HydrophobicContact CG-CB 4.22Å; M810-L922 HydrophobicContact CG-CD2 4.18Å; M810-L922 HydrophobicContact SD-CB 3.58Å; M810-L922 VanDerWaalsContact SD-CB 3.58Å; M810-L922 HydrophobicContact SD-CD2 4.47Å; I896-L922 HydrophobicContact CB-CD2 4.41Å; I896-L922 HydrophobicContact CG1-CD2 4.03Å; I896-L922 HydrophobicContact CG2-CD2 3.53Å; L922-L924 HydrophobicContact CD1-CB 4.26Å; L922-L924 HydrophobicContact CD2-CB 4.36Å; L922-L924 HydrophobicContact CD2-CD2 4.28Å; L922-L924 HydrophobicContact CG-CB 4.05Å; L922-F926 HydrophobicContact CD2-CZ 4.33Å; L922-I964 WeakPolarHBondContact O-CA 3.37Å; L922-N965 PolarHBondContact N-OD1 3.04Å; L922-N965 PolarHBondContact O-N 2.62Å; L922-M988 WeakPolarHBondContact CA-O 3.23Å; L922-M988 HydrophobicContact CB-CE 4.31Å; L922-M988 HydrophobicContact CD1-CB 4.18Å; L922-M990 HydrophobicContact CD1-CB 4.22Å; L922-M990 HydrophobicContact CD1-CG 4.12Å
923	F	98.6	Very high	89.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.2	165.8	-68.3	-105.1	0	0	0	106.8	L921 I964 M988 H997 V999 L1022 C1044 M1054	L921-F923 HydrophobicContact CB-CD2 4.33Å; L921-F923 HydrophobicContact CB-CE2 3.79Å; L921-F923 HydrophobicContact CD1-CE2 4.12Å; F923-I964 HydrophobicContact CD1-CD1 4.38Å; F923-I964 HydrophobicContact CD1-CG1 4.01Å; F923-I964 HydrophobicContact CE1-CD1 3.57Å; F923-I964 HydrophobicContact CE1-CG1 3.68Å; F923-I964 HydrophobicContact CE1-CG2 4.49Å; F923-I964 HydrophobicContact CE2-CG2 4.34Å; F923-I964 HydrophobicContact CZ-CD1 3.89Å; F923-I964 HydrophobicContact CZ-CG1 4.16Å; F923-I964 HydrophobicContact CZ-CG2 4.18Å; F923-M988 PolarHBondContact N-O 2.95Å; F923-H997 HydrophobicContact CB-CB 3.83Å; F923-H997 WeakPolarHBondContact CB-CD2 3.22Å; F923-H997 HydrophobicContact CD1-CB 4.21Å; F923-H997 HydrophobicContact CG-CB 4.22Å; F923-H997 PolarHBondContact O-CD2 3.17Å; F923-H997 PolarHBondContact O-NE2 2.92Å; F923-V999 HydrophobicContact CD1-CG2 4.21Å; F923-V999 HydrophobicContact CD2-CG2 3.74Å; F923-V999 HydrophobicContact CE1-CG1 4.35Å; F923-V999 HydrophobicContact CE1-CG2 3.9Å; F923-V999 HydrophobicContact CE2-CB 4.28Å; F923-V999 HydrophobicContact CE2-CG1 3.88Å; F923-V999 HydrophobicContact CE2-CG2 3.39Å; F923-V999 HydrophobicContact CG-CG2 4.16Å; F923-V999 HydrophobicContact CZ-CB 4.06Å; F923-V999 HydrophobicContact CZ-CG1 3.53Å; F923-V999 HydrophobicContact CZ-CG2 3.5Å; F923-L1022 HydrophobicContact CB-CD1 4.35Å; F923-L1022 HydrophobicContact CD2-CD1 3.75Å; F923-L1022 HydrophobicContact CE2-CD1 4.46Å; F923-L1022 HydrophobicContact CG-CD1 4.24Å; F923-C1044 HydrophobicContact CD1-CB 4.38Å; F923-C1044 HydrophobicContact CE1-CB 4.44Å; F923-M1054 HydrophobicContact CB-SD 4.48Å; F923-M1054 HydrophobicContact CD1-CG 4.13Å; F923-M1054 HydrophobicContact CD1-SD 3.73Å
924	L	98.4	Very high	92	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	131	-177.7	175	64	0	0	0	109.8	L891 Y892 L922 F926 A963 M990 D995	L891-L924 HydrophobicContact CD1-CD2 4.26Å; L891-L924 HydrophobicContact CG-CD2 4.41Å; Y892-L924 HydrophobicContact CE1-CD1 4.06Å; L922-L924 HydrophobicContact CD1-CB 4.26Å; L922-L924 HydrophobicContact CD2-CB 4.36Å; L922-L924 HydrophobicContact CD2-CD2 4.28Å; L922-L924 HydrophobicContact CG-CB 4.05Å; L924-F926 HydrophobicContact CB-CD2 4.38Å; L924-F926 HydrophobicContact CB-CE2 4.11Å; L924-F926 HydrophobicContact CD2-CD1 4.1Å; L924-F926 HydrophobicContact CD2-CD2 4.21Å; L924-F926 HydrophobicContact CD2-CE1 3.77Å; L924-F926 HydrophobicContact CD2-CE2 3.89Å; L924-F926 HydrophobicContact CD2-CG 4.31Å; L924-F926 HydrophobicContact CD2-CZ 3.66Å; L924-F926 HydrophobicContact CG-CD2 4.14Å; L924-F926 HydrophobicContact CG-CE2 4.13Å; L924-F926 HydrophobicContact CG-CG 4.43Å; L924-F926 HydrophobicContact CG-CZ 4.41Å; L924-F926 PolarHBondContact O-N 2.79Å; L924-A963 PolarHBondContact N-O 2.96Å; L924-A963 PolarHBondContact O-N 2.89Å; L924-A963 VanDerWaalsContact O-N 3.13Å; L924-M990 HydrophobicContact CD1-CB 4.3Å; L924-M990 WeakPolarHBondContact CD1-O 3.4Å; L924-D995 WeakPolarHBondContact CA-OD1 3.46Å
925	V	98.4	Very high	94.2	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.018	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	103.6	161.9	-172.3	0	0	0	0	107.8	Y892 D927 K960 H962 V994 D995 M1054	Y892-V925 VanDerWaalsContact CE1-O 3.3Å; Y892-V925 WeakPolarHBondContact CE1-O 3.36Å; V925-D927 PolarHBondContact O-N 2.66Å; V925-K960 HydrophobicContact CG1-CB 3.89Å; V925-H962 WeakPolarHBondContact CG2-CD2 3.48Å; V925-V994 HydrophobicContact CB-CG2 4.41Å; V925-V994 HydrophobicContact CG2-CG2 4.27Å; V925-D995 WeakPolarHBondContact CG2-OD1 3.48Å; V925-D995 PolarHBondContact N-OD1 2.7Å; V925-M1054 HydrophobicContact CG2-CE 4.11Å
926	F	98.3	Very high	95.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	99.6	176.7	-78	-93.3	0	0	0	109.8	Y748 I809 L922 L924 E928 I961 A963	Y748-F926 HydrophobicContact CE1-CB 4.12Å; Y748-F926 AromaticContact CE1-CD2 3.97Å; Y748-F926 HydrophobicContact CE1-CD2 3.97Å; Y748-F926 HydrophobicContact CE1-CG 4.01Å; Y748-F926 VanDerWaalsContact OH-CB 3.25Å; Y748-F926 WeakPolarHBondContact OH-CB 3.44Å; Y748-F926 WeakPolarHBondContact OH-CD1 3.38Å; Y748-F926 WeakPolarHBondContact OH-CG 3.42Å; I809-F926 HydrophobicContact CD1-CE1 3.91Å; I809-F926 HydrophobicContact CD1-CZ 4.1Å; I809-F926 HydrophobicContact CG2-CE1 4.46Å; I809-F926 HydrophobicContact CG2-CE2 4.36Å; I809-F926 HydrophobicContact CG2-CZ 3.67Å; L922-F926 HydrophobicContact CD2-CZ 4.33Å; L924-F926 HydrophobicContact CB-CD2 4.38Å; L924-F926 HydrophobicContact CB-CE2 4.11Å; L924-F926 HydrophobicContact CD2-CD1 4.1Å; L924-F926 HydrophobicContact CD2-CD2 4.21Å; L924-F926 HydrophobicContact CD2-CE1 3.77Å; L924-F926 HydrophobicContact CD2-CE2 3.89Å; L924-F926 HydrophobicContact CD2-CG 4.31Å; L924-F926 HydrophobicContact CD2-CZ 3.66Å; L924-F926 HydrophobicContact CG-CD2 4.14Å; L924-F926 HydrophobicContact CG-CE2 4.13Å; L924-F926 HydrophobicContact CG-CG 4.43Å; L924-F926 HydrophobicContact CG-CZ 4.41Å; L924-F926 PolarHBondContact O-N 2.79Å; F926-E928 PolarHBondContact O-N 2.95Å; F926-E928 VanDerWaalsContact O-N 3.12Å; F926-I961 HydrophobicContact CB-CB 4.32Å; F926-I961 PolarHBondContact N-O 2.88Å; F926-I961 PolarHBondContact O-N 2.81Å; F926-A963 HydrophobicContact CD2-CB 4.03Å; F926-A963 HydrophobicContact CE2-CB 4.31Å
927	D	98	Very high	96.9	Very high	26 Å²	26	19.5 Å²	19.5	14%	0.139	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	92.1	171.9	-170.3	-8.8	0	0	0	110.9	Y892 V925 N929 E930	Y892-D927 WeakPolarHBondContact CB-O 3.32Å; Y892-D927 HydrophobicContact CD1-CB 4.04Å; Y892-D927 HydrophobicContact CD2-CB 4.38Å; Y892-D927 HydrophobicContact CE1-CB 3.95Å; Y892-D927 HydrophobicContact CE2-CB 4.25Å; Y892-D927 HydrophobicContact CG-CB 4.27Å; V925-D927 PolarHBondContact O-N 2.66Å; D927-N929 PolarHBondContact O-N 3.46Å; D927-N929 WeakPolarHBondContact OD1-CA 3.49Å; D927-N929 WeakPolarHBondContact OD1-CB 3.27Å; D927-N929 PolarHBondContact OD1-N 2.91Å; D927-N929 PolarHBondContact OD1-ND2 3.01Å; D927-E930 PolarHBondContact O-N 2.88Å
928	E	98.1	Very high	97.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.8	177.8	-71.1	-79.5	-164.2	0	0	112.8	Y748 Y781 K783 F926 E930 S931 N959	Y748-E928 PolarHBondContact OH-OE1 3.27Å; Y748-E928 VanDerWaalsContact OH-OE1 3.08Å; Y781-E928 VanDerWaalsContact CB-OE1 3.25Å; Y781-E928 WeakPolarHBondContact CB-OE1 3.46Å; Y781-E928 HydrophobicContact CD1-CB 3.81Å; Y781-E928 HydrophobicContact CD1-CG 3.54Å; Y781-E928 HydrophobicContact CD2-CG 4.38Å; Y781-E928 HydrophobicContact CE1-CB 3.6Å; Y781-E928 HydrophobicContact CE1-CG 3.67Å; Y781-E928 HydrophobicContact CE2-CG 4.45Å; Y781-E928 HydrophobicContact CG-CG 3.94Å; K783-E928 WeakPolarHBondContact CD-OE1 3.46Å; K783-E928 IonicContact NZ-OE1 2.73Å; K783-E928 PolarHBondContact NZ-OE1 3.17Å; K783-E928 IonicContact NZ-OE2 3.23Å; K783-E928 PolarHBondContact NZ-OE2 2.99Å; F926-E928 PolarHBondContact O-N 2.95Å; F926-E928 VanDerWaalsContact O-N 3.12Å; E928-E930 PolarHBondContact O-N 2.99Å; E928-S931 VanDerWaalsContact O-CB 3.27Å; E928-S931 WeakPolarHBondContact O-CB 3.37Å; E928-S931 PolarHBondContact O-N 2.8Å; E928-S931 WeakPolarHBondContact OE2-CB 3.41Å; E928-S931 PolarHBondContact OE2-OG 2.75Å; E928-S931 VanDerWaalsContact OE2-OG 3.08Å; E928-N959 HydrophobicContact CB-CB 4.11Å; E928-N959 PolarHBondContact N-O 2.87Å
929	N	97.1	Very high	97.4	Very high	27 Å²	27	24.6 Å²	24.6	14%	0.144	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.6	170.6	-50.6	-71.1	0	0	0	110.7	D927 I956 N959	D927-N929 PolarHBondContact O-N 3.46Å; D927-N929 WeakPolarHBondContact OD1-CA 3.49Å; D927-N929 WeakPolarHBondContact OD1-CB 3.27Å; D927-N929 PolarHBondContact OD1-N 2.91Å; D927-N929 PolarHBondContact OD1-ND2 3.01Å; N929-I956 PolarHBondContact ND2-O 3.07Å; N929-N959 WeakPolarHBondContact OD1-CB 3.02Å; N929-N959 PolarHBondContact OD1-ND2 2.91Å
930	E	96.2	Very high	97.1	Very high	43 Å²	43	30.4 Å²	30.4	20%	0.201	13%	0.131	C	C	.	.	S	Bend	trans	-90.7	-7.2	178.1	-71.2	-59.6	170	0	0	114.8	R709 K889 Y892 D927 E928	R709-E930 IonicContact CZ-OE1 3.02Å; R709-E930 IonicContact CZ-OE2 2.71Å; R709-E930 IonicContact NH1-OE1 3.39Å; R709-E930 PolarHBondContact NH1-OE1 3.47Å; R709-E930 IonicContact NH1-OE2 3.5Å; R709-E930 PolarHBondContact NH1-OE2 2.84Å; R709-E930 IonicContact NH2-OE1 3.08Å; R709-E930 IonicContact NH2-OE2 3.55Å; R709-E930 PolarHBondContact NH2-OE2 3.29Å; K889-E930 WeakPolarHBondContact CE-O 3.42Å; K889-E930 WeakPolarHBondContact CG-O 3.26Å; K889-E930 PolarHBondContact NZ-O 3.19Å; K889-E930 IonicContact NZ-OE2 3.41Å; K889-E930 PolarHBondContact NZ-OE2 2.89Å; Y892-E930 HydrophobicContact CD2-CB 3.48Å; Y892-E930 VanDerWaalsContact CD2-CB 3.48Å; Y892-E930 HydrophobicContact CD2-CG 4.18Å; Y892-E930 HydrophobicContact CE2-CB 4.11Å; Y892-E930 HydrophobicContact CE2-CG 4.33Å; Y892-E930 HydrophobicContact CG-CB 4.19Å; D927-E930 PolarHBondContact O-N 2.88Å; E928-E930 PolarHBondContact O-N 2.99Å
931	S	97.5	Very high	96.8	Very high	5 Å²	5	32.3 Å²	32.3	4%	0.035	14%	0.141	C	C	.	.	S	Bend	trans	-63.7	143.7	178.1	-177.9	0	0	0	0	112.7	E928 Y933 L934	E928-S931 VanDerWaalsContact O-CB 3.27Å; E928-S931 WeakPolarHBondContact O-CB 3.37Å; E928-S931 PolarHBondContact O-N 2.8Å; E928-S931 WeakPolarHBondContact OE2-CB 3.41Å; E928-S931 PolarHBondContact OE2-OG 2.75Å; E928-S931 VanDerWaalsContact OE2-OG 3.08Å; S931-Y933 PolarHBondContact O-N 2.75Å; S931-Y933 VanDerWaalsContact O-N 3.13Å; S931-Y933 PolarHBondContact OG-N 3.3Å; S931-L934 PolarHBondContact O-N 3.45Å
932	W	97.9	Very high	96.4	Very high	74 Å²	74	33.2 Å²	33.2	28%	0.28	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-20.2	170	-74.8	118.7	0	0	0	113	D886 K889 D890 S893	D886-W932 HydrophobicContact CB-CZ2 3.88Å; D886-W932 WeakPolarHBondContact OD2-CZ2 3.42Å; K889-W932 HydrophobicContact CB-CD2 4.1Å; K889-W932 HydrophobicContact CB-CG 4.33Å; K889-W932 HydrophobicContact CB-CZ2 3.95Å; K889-W932 HydrophobicContact CD-CD2 4.23Å; K889-W932 HydrophobicContact CD-CE3 4.18Å; K889-W932 HydrophobicContact CD-CH2 3.68Å; K889-W932 HydrophobicContact CD-CZ2 3.72Å; K889-W932 HydrophobicContact CD-CZ3 3.91Å; K889-W932 HydrophobicContact CG-CZ2 4.36Å; D890-W932 PolarHBondContact OD1-NE1 2.93Å; S893-W932 PolarHBondContact OG-N 3.21Å
933	Y	98.1	Very high	95.6	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.016	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	1.2	-171.4	-57.2	-75	0	0	0	113.4	E743 K782 V784 Y834 S931 D935 E936 N937	E743-Y933 VanDerWaalsContact CD-OH 3.31Å; E743-Y933 HydrophobicContact CG-CE1 4.26Å; E743-Y933 WeakPolarHBondContact CG-OH 3.38Å; E743-Y933 WeakPolarHBondContact OE1-CE1 3.5Å; E743-Y933 PolarHBondContact OE1-OH 2.64Å; K782-Y933 HydrophobicContact CD-CD1 3.77Å; K782-Y933 HydrophobicContact CD-CE1 4.27Å; K782-Y933 HydrophobicContact CD-CG 4.41Å; K782-Y933 HydrophobicContact CG-CD1 4.07Å; K782-Y933 HydrophobicContact CG-CG 4.28Å; K782-Y933 VanDerWaalsContact O-CB 3.25Å; K782-Y933 WeakPolarHBondContact O-CB 3.32Å; V784-Y933 HydrophobicContact CB-CE2 3.99Å; V784-Y933 HydrophobicContact CG1-CE2 3.84Å; Y834-Y933 PolarHBondContact OH-OH 2.69Å; Y834-Y933 VanDerWaalsContact OH-OH 3.07Å; S931-Y933 PolarHBondContact O-N 2.75Å; S931-Y933 VanDerWaalsContact O-N 3.13Å; S931-Y933 PolarHBondContact OG-N 3.3Å; Y933-D935 VanDerWaalsContact C-N 3.33Å; Y933-D935 PolarHBondContact O-N 3.16Å; Y933-E936 WeakPolarHBondContact O-CA 3.48Å; Y933-E936 WeakPolarHBondContact O-CB 3Å; Y933-E936 PolarHBondContact O-N 2.7Å; Y933-N937 PolarHBondContact O-N 2.9Å; Y933-N937 PolarHBondContact O-ND2 2.86Å
934	L	97.5	Very high	95	Very high	12 Å²	12	51.8 Å²	51.8	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-49.5	-51.1	-179.4	178.4	65.5	0	0	0	112.5	I777 S931 E936 N937 I938 K950 F955	I777-L934 HydrophobicContact CD1-CD1 4.14Å; S931-L934 PolarHBondContact O-N 3.45Å; L934-E936 VanDerWaalsContact C-N 3.28Å; L934-E936 PolarHBondContact O-N 2.91Å; L934-N937 PolarHBondContact O-N 3.39Å; L934-N937 VanDerWaalsContact O-N 3.15Å; L934-I938 HydrophobicContact CD1-CD1 4.07Å; L934-I938 HydrophobicContact CD1-CG1 4.27Å; L934-I938 HydrophobicContact CD2-CD1 4.47Å; L934-I938 HydrophobicContact CG-CD1 3.9Å; L934-I938 HydrophobicContact CG-CG1 4.46Å; L934-I938 WeakPolarHBondContact O-CG1 3.44Å; L934-I938 PolarHBondContact O-N 3.08Å; L934-K950 HydrophobicContact CD2-CD 4.03Å; L934-K950 HydrophobicContact CD2-CG 4.31Å; L934-F955 HydrophobicContact CD1-CE1 4.32Å; L934-F955 HydrophobicContact CD1-CZ 4.25Å
935	D	96.3	Very high	94.4	Very high	70 Å²	70	55.2 Å²	55.2	37%	0.374	25%	0.25	S	C	.	.	H	α-helix	trans	-62.6	-33.9	-179.8	-82.2	-40	0	0	0	113.4	Y933 R939 K950	Y933-D935 VanDerWaalsContact C-N 3.33Å; Y933-D935 PolarHBondContact O-N 3.16Å; D935-R939 VanDerWaalsContact O-CG 3.26Å; D935-R939 WeakPolarHBondContact O-CG 3.4Å; D935-R939 PolarHBondContact O-N 3.32Å; D935-R939 PolarHBondContact O-NH1 2.93Å; D935-K950 WeakPolarHBondContact OD1-CE 3.31Å; D935-K950 IonicContact OD1-NZ 3.65Å; D935-K950 PolarHBondContact OD1-NZ 3.3Å; D935-K950 IonicContact OD2-NZ 2.65Å; D935-K950 PolarHBondContact OD2-NZ 2.88Å
936	E	96.1	Very high	93.8	Very high	56 Å²	56	62.2 Å²	62.2	26%	0.262	28%	0.276	S	S	.	.	H	α-helix	trans	-72.2	-41.4	175.8	-171.8	172.1	173.8	0	0	110.4	K782 Y933 L934 R939 R940	K782-E936 HydrophobicContact CD-CG 4.26Å; K782-E936 VanDerWaalsContact CD-OE1 3.29Å; K782-E936 WeakPolarHBondContact CD-OE1 3.13Å; K782-E936 VanDerWaalsContact CD-OE2 3.26Å; K782-E936 WeakPolarHBondContact CD-OE2 3.49Å; K782-E936 IonicContact NZ-OE1 2.9Å; K782-E936 PolarHBondContact NZ-OE1 2.71Å; K782-E936 IonicContact NZ-OE2 3.8Å; K782-E936 PolarHBondContact NZ-OE2 2.77Å; Y933-E936 WeakPolarHBondContact O-CA 3.48Å; Y933-E936 WeakPolarHBondContact O-CB 3Å; Y933-E936 PolarHBondContact O-N 2.7Å; L934-E936 VanDerWaalsContact C-N 3.28Å; L934-E936 PolarHBondContact O-N 2.91Å; E936-R939 PolarHBondContact O-N 3.07Å; E936-R940 HydrophobicContact CG-CG 4.43Å; E936-R940 WeakPolarHBondContact O-CB 3.42Å; E936-R940 VanDerWaalsContact O-CG 3.22Å; E936-R940 WeakPolarHBondContact O-CG 3.39Å; E936-R940 PolarHBondContact O-N 3.17Å; E936-R940 IonicContact OE1-CZ 2.7Å; E936-R940 IonicContact OE1-NE 2.78Å; E936-R940 PolarHBondContact OE1-NE 2.96Å; E936-R940 VanDerWaalsContact OE1-NE 3.16Å; E936-R940 IonicContact OE1-NH2 2.86Å; E936-R940 PolarHBondContact OE1-NH2 2.93Å
937	N	96.9	Very high	93.1	Very high	1 Å²	1	68 Å²	68	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-41.5	177.6	-68.4	-31	0	0	0	112.1	I777 Y781 K782 Y933 L934 R940 N941	I777-N937 HydrophobicContact CD1-CB 3.99Å; I777-N937 HydrophobicContact CG2-CB 4.42Å; Y781-N937 HydrophobicContact CD1-CB 4.29Å; K782-N937 VanDerWaalsContact CB-OD1 3.26Å; K782-N937 WeakPolarHBondContact CB-OD1 3.34Å; K782-N937 PolarHBondContact N-ND2 3.36Å; K782-N937 PolarHBondContact N-OD1 2.87Å; K782-N937 PolarHBondContact O-ND2 2.78Å; Y933-N937 PolarHBondContact O-N 2.9Å; Y933-N937 PolarHBondContact O-ND2 2.86Å; L934-N937 PolarHBondContact O-N 3.39Å; L934-N937 VanDerWaalsContact O-N 3.15Å; N937-R940 PolarHBondContact O-N 2.79Å; N937-N941 WeakPolarHBondContact O-CB 3.49Å; N937-N941 PolarHBondContact O-N 2.86Å; N937-N941 PolarHBondContact O-ND2 2.79Å; N937-N941 VanDerWaalsContact O-ND2 3.07Å
938	I	95.6	Very high	92.6	Very high	13 Å²	13	73.5 Å²	73.5	7%	0.067	34%	0.343	C	S	.	.	H	α-helix	trans	-59.2	-51.7	172.8	-68.3	168.4	0	0	0	110.2	I777 L934 R940 N941 I942 P945 L949 K950 F955	I777-I938 HydrophobicContact CD1-CG1 4.1Å; L934-I938 HydrophobicContact CD1-CD1 4.07Å; L934-I938 HydrophobicContact CD1-CG1 4.27Å; L934-I938 HydrophobicContact CD2-CD1 4.47Å; L934-I938 HydrophobicContact CG-CD1 3.9Å; L934-I938 HydrophobicContact CG-CG1 4.46Å; L934-I938 WeakPolarHBondContact O-CG1 3.44Å; L934-I938 PolarHBondContact O-N 3.08Å; I938-R940 VanDerWaalsContact C-N 3.29Å; I938-R940 PolarHBondContact O-N 3.32Å; I938-N941 PolarHBondContact O-N 2.74Å; I938-I942 HydrophobicContact CG1-CD1 4.4Å; I938-I942 HydrophobicContact CG2-CD1 4.28Å; I938-I942 WeakPolarHBondContact O-CB 3.45Å; I938-I942 PolarHBondContact O-N 3.17Å; I938-P945 HydrophobicContact CG2-CB 4.07Å; I938-P945 HydrophobicContact CG2-CG 4.36Å; I938-L949 HydrophobicContact CG2-CD2 4.29Å; I938-K950 HydrophobicContact CD1-CG 4.2Å; I938-F955 HydrophobicContact CD1-CE1 4.28Å; I938-F955 HydrophobicContact CD1-CZ 3.88Å; I938-F955 HydrophobicContact CG1-CZ 3.85Å
939	R	93.8	Very high	92.3	Very high	182 Å²	182	74.4 Å²	74.4	69%	0.687	35%	0.347	S	S	*	.	H	α-helix	trans	-63.1	-34.5	-178.3	-71.7	179.5	-160.2	111.4	1.3	113	D935 E936	D935-R939 VanDerWaalsContact O-CG 3.26Å; D935-R939 WeakPolarHBondContact O-CG 3.4Å; D935-R939 PolarHBondContact O-N 3.32Å; D935-R939 PolarHBondContact O-NH1 2.93Å; E936-R939 PolarHBondContact O-N 3.07Å
940	R	92.5	Very high	92.1	Very high	123 Å²	123	77.9 Å²	77.9	46%	0.464	36%	0.361	S	S	.	.	H	α-helix	trans	-74.9	-39.4	-180	-75	173.2	173.4	-148.9	0.4	112.4	D745 E936 N937 I938	D745-R940 IonicContact OD1-NH1 3.92Å; D745-R940 PolarHBondContact OD1-NH1 2.91Å; D745-R940 IonicContact OD2-NH1 2.76Å; E936-R940 HydrophobicContact CG-CG 4.43Å; E936-R940 WeakPolarHBondContact O-CB 3.42Å; E936-R940 VanDerWaalsContact O-CG 3.22Å; E936-R940 WeakPolarHBondContact O-CG 3.39Å; E936-R940 PolarHBondContact O-N 3.17Å; E936-R940 IonicContact OE1-CZ 2.7Å; E936-R940 IonicContact OE1-NE 2.78Å; E936-R940 PolarHBondContact OE1-NE 2.96Å; E936-R940 VanDerWaalsContact OE1-NE 3.16Å; E936-R940 IonicContact OE1-NH2 2.86Å; E936-R940 PolarHBondContact OE1-NH2 2.93Å; N937-R940 PolarHBondContact O-N 2.79Å; I938-R940 VanDerWaalsContact C-N 3.29Å; I938-R940 PolarHBondContact O-N 3.32Å
941	N	90.3	Very high	91.8	Very high	40 Å²	40	79.5 Å²	79.5	21%	0.214	38%	0.382	C	S	.	.	H	α-helix	trans	-105.2	-26.8	-167.5	-68.6	-68.4	0	0	0	114.5	K772 I777 N937 I938	K772-N941 PolarHBondContact NZ-OD1 3.04Å; I777-N941 HydrophobicContact CG2-CB 4.11Å; N937-N941 WeakPolarHBondContact O-CB 3.49Å; N937-N941 PolarHBondContact O-N 2.86Å; N937-N941 PolarHBondContact O-ND2 2.79Å; N937-N941 VanDerWaalsContact O-ND2 3.07Å; I938-N941 PolarHBondContact O-N 2.74Å
942	I	90.3	Very high	91.6	Very high	18 Å²	18	82.3 Å²	82.3	9%	0.092	40%	0.397	C	S	.	.			trans	-110.3	115.9	-173.5	-58.8	165.7	0	0	0	110.3	G775 I777 I938 N944 P945 L949 F955	G775-I942 WeakPolarHBondContact O-CD1 3.42Å; I777-I942 HydrophobicContact CG1-CD1 3.85Å; I777-I942 HydrophobicContact CG1-CG1 4.45Å; I938-I942 HydrophobicContact CG1-CD1 4.4Å; I938-I942 HydrophobicContact CG2-CD1 4.28Å; I938-I942 WeakPolarHBondContact O-CB 3.45Å; I938-I942 PolarHBondContact O-N 3.17Å; I942-N944 PolarHBondContact O-N 3.13Å; I942-P945 HydrophobicContact CG2-CB 4.3Å; I942-L949 HydrophobicContact CD1-CD2 3.9Å; I942-F955 HydrophobicContact CD1-CE2 3.81Å
943	R	83	Confident	91.2	Very high	237 Å²	237	85 Å²	85	89%	0.894	42%	0.416	S	S	*	.	S	Bend	trans	-83.1	113.6	175	-64.2	-177.7	-178.6	-177.4	1.1	109
944	N	84.8	Confident	90.9	Very high	154 Å²	154	87 Å²	87	82%	0.824	43%	0.431	S	S	*	.	S	Bend	trans	63.1	75.9	-176.8	-54	-35.7	0	0	0	113.2	I942	I942-N944 PolarHBondContact O-N 3.13Å
945	P	86.7	Confident	90.8	Very high	71 Å²	71	86.4 Å²	86.4	46%	0.461	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-60.9	141.2	177.1	27	-34.4	0	0	0	111	I938 I942 L949	I938-P945 HydrophobicContact CG2-CB 4.07Å; I938-P945 HydrophobicContact CG2-CG 4.36Å; I942-P945 HydrophobicContact CG2-CB 4.3Å; P945-L949 HydrophobicContact CB-CD2 3.91Å
946	R	85.7	Confident	90.8	Very high	151 Å²	151	85.3 Å²	85.3	57%	0.57	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-65.4	152.6	176.2	-56.1	178.5	-161.8	-178	6	110	D774 N948 L949	D774-R946 PolarHBondContact O-NH2 2.82Å; R946-N948 PolarHBondContact O-N 2.67Å; R946-L949 PolarHBondContact O-N 2.88Å
947	P	83.9	Confident	90.7	Very high	121 Å²	121	85 Å²	85	79%	0.786	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	139.7	168.3	-20.4	32.4	0	0	0	110.2	L949	P947-L949 PolarHBondContact O-N 2.7Å
948	N	86.9	Confident	90.7	Very high	141 Å²	141	85 Å²	85	75%	0.754	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	22.3	179.2	-56.4	-18.1	0	0	0	116.3	R946 K950 A951	R946-N948 PolarHBondContact O-N 2.67Å; N948-K950 PolarHBondContact O-N 3.2Å; N948-A951 PolarHBondContact O-N 3.16Å
949	L	90.9	Very high	90.7	Very high	19 Å²	19	84.4 Å²	84.4	10%	0.099	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-48.1	-37.5	-180	-177.4	67.3	0	0	0	114.5	I938 I942 P945 R946 P947 A951 D952 F955	I938-L949 HydrophobicContact CG2-CD2 4.29Å; I942-L949 HydrophobicContact CD1-CD2 3.9Å; P945-L949 HydrophobicContact CB-CD2 3.91Å; R946-L949 PolarHBondContact O-N 2.88Å; P947-L949 PolarHBondContact O-N 2.7Å; L949-A951 PolarHBondContact O-N 3.18Å; L949-D952 WeakPolarHBondContact O-CB 3.4Å; L949-D952 PolarHBondContact O-N 2.83Å; L949-F955 HydrophobicContact CD1-CB 4.03Å; L949-F955 HydrophobicContact CD1-CD2 3.66Å; L949-F955 HydrophobicContact CD1-CE2 4.28Å; L949-F955 HydrophobicContact CD1-CG 3.79Å; L949-F955 HydrophobicContact CD2-CD2 4.06Å; L949-F955 HydrophobicContact CD2-CE2 3.8Å; L949-F955 HydrophobicContact CD2-CZ 4.04Å; L949-F955 HydrophobicContact CG-CB 4.44Å; L949-F955 HydrophobicContact CG-CD1 4.02Å; L949-F955 HydrophobicContact CG-CD2 3.75Å; L949-F955 HydrophobicContact CG-CE1 4.2Å; L949-F955 HydrophobicContact CG-CE2 3.95Å; L949-F955 HydrophobicContact CG-CG 3.78Å; L949-F955 HydrophobicContact CG-CZ 4.17Å; L949-F955 WeakPolarHBondContact O-CB 3.27Å; L949-F955 WeakPolarHBondContact O-CD1 3.34Å; L949-F955 WeakPolarHBondContact O-CG 3.48Å
950	K	92.9	Very high	90.9	Very high	101 Å²	101	78.3 Å²	78.3	44%	0.439	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-72.6	-11.5	-178.1	-62.9	-174.3	-178.9	-177.5	0	114.8	L934 D935 I938 N948	L934-K950 HydrophobicContact CD2-CD 4.03Å; L934-K950 HydrophobicContact CD2-CG 4.31Å; D935-K950 WeakPolarHBondContact OD1-CE 3.31Å; D935-K950 IonicContact OD1-NZ 3.65Å; D935-K950 PolarHBondContact OD1-NZ 3.3Å; D935-K950 IonicContact OD2-NZ 2.65Å; D935-K950 PolarHBondContact OD2-NZ 2.88Å; I938-K950 HydrophobicContact CD1-CG 4.2Å; N948-K950 PolarHBondContact O-N 3.2Å
951	A	91.3	Very high	91.2	Very high	76 Å²	76	72.5 Å²	72.5	63%	0.628	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-108.1	8	177.9	0	0	0	0	0	111.7	N948 L949	N948-A951 PolarHBondContact O-N 3.16Å; L949-A951 PolarHBondContact O-N 3.18Å
952	D	91.8	Very high	91.6	Very high	65 Å²	65	70.8 Å²	70.8	35%	0.348	36%	0.364	S	S	.	.			trans	-88.6	123.1	175.8	178.6	-90.5	0	0	0	109.1	L949 S954 F955 I956	L949-D952 WeakPolarHBondContact O-CB 3.4Å; L949-D952 PolarHBondContact O-N 2.83Å; D952-S954 VanDerWaalsContact C-N 3.27Å; D952-S954 PolarHBondContact O-N 2.89Å; D952-S954 WeakPolarHBondContact OD1-CB 3.43Å; D952-S954 PolarHBondContact OD1-N 2.93Å; D952-S954 PolarHBondContact OD1-OG 3.49Å; D952-F955 HydrophobicContact CB-CB 4.11Å; D952-F955 WeakPolarHBondContact O-CB 3.09Å; D952-F955 PolarHBondContact O-N 3.26Å; D952-F955 PolarHBondContact OD1-N 3.49Å; D952-I956 WeakPolarHBondContact O-CG1 3.47Å; D952-I956 PolarHBondContact O-N 2.9Å
953	D	91.3	Very high	91.9	Very high	130 Å²	130	69.9 Å²	69.9	70%	0.695	36%	0.36	S	S	*	.	H	α-helix	trans	-61.8	-36	-173.6	-58	-36.3	0	0	0	112.4	F955 I956 E957	D953-F955 VanDerWaalsContact C-N 3.3Å; D953-F955 PolarHBondContact O-N 2.65Å; D953-I956 PolarHBondContact O-N 2.71Å; D953-E957 WeakPolarHBondContact O-CB 3.21Å; D953-E957 PolarHBondContact O-N 2.6Å
954	S	91.5	Very high	92.7	Very high	45 Å²	45	58.7 Å²	58.7	32%	0.315	32%	0.317	S	S	.	.	H	α-helix	trans	-66.8	-34.8	177.5	85	0	0	0	0	112	Y776 D952 S958	Y776-S954 VanDerWaalsContact OH-CB 3.31Å; Y776-S954 WeakPolarHBondContact OH-CB 3.09Å; Y776-S954 PolarHBondContact OH-OG 2.88Å; D952-S954 VanDerWaalsContact C-N 3.27Å; D952-S954 PolarHBondContact O-N 2.89Å; D952-S954 WeakPolarHBondContact OD1-CB 3.43Å; D952-S954 PolarHBondContact OD1-N 2.93Å; D952-S954 PolarHBondContact OD1-OG 3.49Å; S954-S958 WeakPolarHBondContact O-CB 3.38Å; S954-S958 PolarHBondContact O-N 2.99Å
955	F	94.9	Very high	93.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-71.5	-41.8	173.3	179.1	-98.9	0	0	0	111.7	Y776 I777 L934 I938 I942 L949 D952 D953 E957 S958 N959	Y776-F955 HydrophobicContact CD1-CD2 4.31Å; I777-F955 HydrophobicContact CD1-CE2 4.31Å; I777-F955 HydrophobicContact CD1-CZ 4.06Å; I777-F955 HydrophobicContact CG1-CE2 4.2Å; I777-F955 HydrophobicContact CG1-CZ 4.44Å; L934-F955 HydrophobicContact CD1-CE1 4.32Å; L934-F955 HydrophobicContact CD1-CZ 4.25Å; I938-F955 HydrophobicContact CD1-CE1 4.28Å; I938-F955 HydrophobicContact CD1-CZ 3.88Å; I938-F955 HydrophobicContact CG1-CZ 3.85Å; I942-F955 HydrophobicContact CD1-CE2 3.81Å; L949-F955 HydrophobicContact CD1-CB 4.03Å; L949-F955 HydrophobicContact CD1-CD2 3.66Å; L949-F955 HydrophobicContact CD1-CE2 4.28Å; L949-F955 HydrophobicContact CD1-CG 3.79Å; L949-F955 HydrophobicContact CD2-CD2 4.06Å; L949-F955 HydrophobicContact CD2-CE2 3.8Å; L949-F955 HydrophobicContact CD2-CZ 4.04Å; L949-F955 HydrophobicContact CG-CB 4.44Å; L949-F955 HydrophobicContact CG-CD1 4.02Å; L949-F955 HydrophobicContact CG-CD2 3.75Å; L949-F955 HydrophobicContact CG-CE1 4.2Å; L949-F955 HydrophobicContact CG-CE2 3.95Å; L949-F955 HydrophobicContact CG-CG 3.78Å; L949-F955 HydrophobicContact CG-CZ 4.17Å; L949-F955 WeakPolarHBondContact O-CB 3.27Å; L949-F955 WeakPolarHBondContact O-CD1 3.34Å; L949-F955 WeakPolarHBondContact O-CG 3.48Å; D952-F955 HydrophobicContact CB-CB 4.11Å; D952-F955 WeakPolarHBondContact O-CB 3.09Å; D952-F955 PolarHBondContact O-N 3.26Å; D952-F955 PolarHBondContact OD1-N 3.49Å; D953-F955 VanDerWaalsContact C-N 3.3Å; D953-F955 PolarHBondContact O-N 2.65Å; F955-E957 VanDerWaalsContact C-N 3.32Å; F955-E957 PolarHBondContact O-N 2.94Å; F955-S958 PolarHBondContact O-N 2.71Å; F955-S958 PolarHBondContact O-OG 2.61Å; F955-N959 WeakPolarHBondContact CE1-ND2 3.45Å; F955-N959 WeakPolarHBondContact CZ-ND2 3.37Å; F955-N959 PolarHBondContact O-N 2.84Å; F955-N959 PolarHBondContact O-ND2 2.97Å
956	I	95.3	Very high	93.9	Very high	47 Å²	47	48 Å²	48	24%	0.241	26%	0.256	C	S	.	.	H	α-helix	trans	-57.8	-49.6	175.3	-69	168.9	0	0	0	109.6	N929 D952 D953 S958 N959 K960	N929-I956 PolarHBondContact ND2-O 3.07Å; D952-I956 WeakPolarHBondContact O-CG1 3.47Å; D952-I956 PolarHBondContact O-N 2.9Å; D953-I956 PolarHBondContact O-N 2.71Å; I956-S958 PolarHBondContact O-N 3.48Å; I956-N959 PolarHBondContact O-N 3.03Å; I956-N959 VanDerWaalsContact O-N 3.11Å; I956-K960 PolarHBondContact O-N 2.93Å
957	E	95	Very high	94.5	Very high	51 Å²	51	43.1 Å²	43.1	24%	0.238	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-41.2	-179.9	-167.9	52.2	-137.7	0	0	112.2	I768 F769 D953 F955 N959 K960 H962	I768-E957 HydrophobicContact CD1-CB 4.24Å; I768-E957 HydrophobicContact CD1-CG 3.93Å; F769-E957 HydrophobicContact CE1-CG 4.41Å; F769-E957 WeakPolarHBondContact CE1-O 3.33Å; D953-E957 WeakPolarHBondContact O-CB 3.21Å; D953-E957 PolarHBondContact O-N 2.6Å; F955-E957 VanDerWaalsContact C-N 3.32Å; F955-E957 PolarHBondContact O-N 2.94Å; E957-N959 PolarHBondContact O-N 3.46Å; E957-K960 PolarHBondContact O-N 3.17Å; E957-K960 IonicContact OE2-NZ 3.97Å; E957-K960 PolarHBondContact OE2-NZ 3.33Å; E957-H962 IonicContact OE1-CE1 3.03Å
958	S	95.8	Very high	95.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.9	-20.9	175.9	76.6	0	0	0	0	114.2	I768 Y776 S954 F955 I956	I768-S958 WeakPolarHBondContact O-CA 3.35Å; I768-S958 WeakPolarHBondContact O-CB 3.05Å; Y776-S958 WeakPolarHBondContact CD1-OG 3.47Å; S954-S958 WeakPolarHBondContact O-CB 3.38Å; S954-S958 PolarHBondContact O-N 2.99Å; F955-S958 PolarHBondContact O-N 2.71Å; F955-S958 PolarHBondContact O-OG 2.61Å; I956-S958 PolarHBondContact O-N 3.48Å
959	N	97.4	Very high	95.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	2.3	-177.1	-66.7	-39	0	0	0	113.7	Y781 E928 N929 F955 I956 E957	Y781-N959 PolarHBondContact OH-OD1 3.3Å; E928-N959 HydrophobicContact CB-CB 4.11Å; E928-N959 PolarHBondContact N-O 2.87Å; N929-N959 WeakPolarHBondContact OD1-CB 3.02Å; N929-N959 PolarHBondContact OD1-ND2 2.91Å; F955-N959 WeakPolarHBondContact CE1-ND2 3.45Å; F955-N959 WeakPolarHBondContact CZ-ND2 3.37Å; F955-N959 PolarHBondContact O-N 2.84Å; F955-N959 PolarHBondContact O-ND2 2.97Å; I956-N959 PolarHBondContact O-N 3.03Å; I956-N959 VanDerWaalsContact O-N 3.11Å; E957-N959 PolarHBondContact O-N 3.46Å
960	K	97.5	Very high	95.9	Very high	54 Å²	54	30.5 Å²	30.5	24%	0.235	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	98.8	170.8	-70.4	-176.3	-174.1	167.8	0	109.6	F769 V925 I956 E957 H962	F769-K960 WeakPolarHBondContact CD1-O 3.24Å; V925-K960 HydrophobicContact CG1-CB 3.89Å; I956-K960 PolarHBondContact O-N 2.93Å; E957-K960 PolarHBondContact O-N 3.17Å; E957-K960 IonicContact OE2-NZ 3.97Å; E957-K960 PolarHBondContact OE2-NZ 3.33Å; K960-H962 PolarHBondContact O-ND1 2.95Å; K960-H962 VanDerWaalsContact O-ND1 3.12Å
961	I	98	Very high	96.1	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	102.5	-173.7	-47.1	-60	0	0	0	111	Y748 F769 Y781 F926 A963 V968	Y748-I961 HydrophobicContact CD1-CB 4.13Å; Y748-I961 HydrophobicContact CD1-CG2 3.41Å; Y748-I961 VanDerWaalsContact CD1-CG2 3.41Å; Y748-I961 HydrophobicContact CD2-CG1 4.22Å; Y748-I961 HydrophobicContact CD2-CG2 4.21Å; Y748-I961 HydrophobicContact CE1-CB 4.06Å; Y748-I961 HydrophobicContact CE1-CG2 3.85Å; Y748-I961 HydrophobicContact CE2-CG1 4.16Å; Y748-I961 HydrophobicContact CG-CB 4.38Å; Y748-I961 HydrophobicContact CG-CG1 4.48Å; Y748-I961 HydrophobicContact CG-CG2 3.62Å; F769-I961 HydrophobicContact CB-CD1 4.17Å; Y781-I961 HydrophobicContact CE2-CD1 4.45Å; Y781-I961 HydrophobicContact CE2-CG1 4.43Å; F926-I961 HydrophobicContact CB-CB 4.32Å; F926-I961 PolarHBondContact N-O 2.88Å; F926-I961 PolarHBondContact O-N 2.81Å; I961-A963 HydrophobicContact CG2-CB 4.46Å; I961-A963 PolarHBondContact O-N 3.07Å; I961-V968 HydrophobicContact CG2-CG1 3.78Å
962	H	97.9	Very high	96.4	Very high	3 Å²	3	22.9 Å²	22.9	1%	0.014	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	83.2	-176.8	-63.5	86.5	0	0	0	112.7	V925 E957 K960 V968 D1048 H1049 A1052 M1054	V925-H962 WeakPolarHBondContact CG2-CD2 3.48Å; E957-H962 IonicContact OE1-CE1 3.03Å; K960-H962 PolarHBondContact O-ND1 2.95Å; K960-H962 VanDerWaalsContact O-ND1 3.12Å; H962-V968 WeakPolarHBondContact O-CG1 3.27Å; H962-D1048 IonicContact CE1-OD2 2.68Å; H962-D1048 IonicContact NE2-OD2 2.89Å; H962-H1049 AromaticContact CD2-CD2 3.33Å; H962-H1049 PolarHBondContact CD2-CD2 3.08Å; H962-H1049 AromaticContact CD2-NE2 3.94Å; H962-H1049 AromaticContact NE2-CD2 3.88Å; H962-A1052 HydrophobicContact CB-CB 3.59Å; H962-A1052 WeakPolarHBondContact ND1-CB 2.94Å; H962-M1054 HydrophobicContact CB-CB 4.34Å; H962-M1054 HydrophobicContact CB-CE 3.96Å; H962-M1054 VanDerWaalsContact O-CA 3.28Å; H962-M1054 WeakPolarHBondContact O-CA 3.4Å; H962-M1054 WeakPolarHBondContact O-CB 3.24Å; H962-M1054 PolarHBondContact O-N 3.32Å
963	A	98.3	Very high	96.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	152.4	-162	0	0	0	0	0	114.9	Y748 L924 F926 I961 Y967 V968	Y748-A963 HydrophobicContact CD1-CB 4.35Å; Y748-A963 HydrophobicContact CE1-CB 4.47Å; L924-A963 PolarHBondContact N-O 2.96Å; L924-A963 PolarHBondContact O-N 2.89Å; L924-A963 VanDerWaalsContact O-N 3.13Å; F926-A963 HydrophobicContact CD2-CB 4.03Å; F926-A963 HydrophobicContact CE2-CB 4.31Å; I961-A963 HydrophobicContact CG2-CB 4.46Å; I961-A963 PolarHBondContact O-N 3.07Å; A963-Y967 WeakPolarHBondContact CA-O 3.39Å; A963-V968 HydrophobicContact CB-CG1 4.02Å
964	I	98.7	Very high	96.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.3	163.1	-50.6	176.8	0	0	0	107.6	L921 L922 F923 G966 Y967 L972 M1054 A1056	L921-I964 HydrophobicContact CD2-CG2 4.14Å; L922-I964 WeakPolarHBondContact O-CA 3.37Å; F923-I964 HydrophobicContact CD1-CD1 4.38Å; F923-I964 HydrophobicContact CD1-CG1 4.01Å; F923-I964 HydrophobicContact CE1-CD1 3.57Å; F923-I964 HydrophobicContact CE1-CG1 3.68Å; F923-I964 HydrophobicContact CE1-CG2 4.49Å; F923-I964 HydrophobicContact CE2-CG2 4.34Å; F923-I964 HydrophobicContact CZ-CD1 3.89Å; F923-I964 HydrophobicContact CZ-CG1 4.16Å; F923-I964 HydrophobicContact CZ-CG2 4.18Å; I964-G966 PolarHBondContact O-N 3.42Å; I964-G966 VanDerWaalsContact O-N 3.08Å; I964-Y967 PolarHBondContact N-O 2.88Å; I964-Y967 PolarHBondContact O-N 3.49Å; I964-L972 HydrophobicContact CB-CD2 4.13Å; I964-L972 HydrophobicContact CG2-CD2 3.59Å; I964-M1054 HydrophobicContact CD1-CG 4.31Å; I964-M1054 HydrophobicContact CG1-CG 3.68Å; I964-A1056 HydrophobicContact CD1-CB 3.83Å
965	N	98.4	Very high	96.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	27.3	-175.8	-65.1	-14.1	0	0	0	114.3	H806 I809 M810 A920 L921 L922 L972	H806-N965 PolarHBondContact O-ND2 2.94Å; I809-N965 WeakPolarHBondContact CG2-O 3.48Å; I809-N965 PolarHBondContact N-O 2.98Å; M810-N965 HydrophobicContact CE-CB 4.38Å; M810-N965 VanDerWaalsContact CE-CG 3.44Å; M810-N965 WeakPolarHBondContact CE-OD1 3.32Å; A920-N965 PolarHBondContact O-ND2 3.43Å; L921-N965 WeakPolarHBondContact CA-OD1 3.43Å; L922-N965 PolarHBondContact N-OD1 3.04Å; L922-N965 PolarHBondContact O-N 2.62Å; N965-L972 HydrophobicContact CB-CD1 4.01Å; N965-L972 HydrophobicContact CB-CD2 4.49Å
966	G	98	Very high	96.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	17.2	-177.4	0	0	0	0	0	114.6	W746 Y748 I964	W746-G966 PolarHBondContact NE1-O 3.13Å; Y748-G966 WeakPolarHBondContact CD1-O 3.29Å; I964-G966 PolarHBondContact O-N 3.42Å; I964-G966 VanDerWaalsContact O-N 3.08Å
967	Y	98.6	Very high	96.8	Very high	50 Å²	50	19.3 Å²	19.3	20%	0.196	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-123.2	151.8	172.2	-68.3	-66.5	0	0	0	112.2	W746 Y748 P750 A963 I964 N971 L972	W746-Y967 HydrophobicContact CH2-CE1 4.2Å; W746-Y967 AromaticContact CH2-CE2 3.79Å; W746-Y967 HydrophobicContact CH2-CE2 3.79Å; W746-Y967 AromaticContact CH2-CZ 3.5Å; W746-Y967 VanDerWaalsContact CH2-OH 3.31Å; W746-Y967 WeakPolarHBondContact CH2-OH 3.4Å; W746-Y967 HydrophobicContact CZ2-CD1 4.29Å; W746-Y967 HydrophobicContact CZ2-CD2 4.2Å; W746-Y967 AromaticContact CZ2-CE1 3.77Å; W746-Y967 HydrophobicContact CZ2-CE1 3.77Å; W746-Y967 AromaticContact CZ2-CE2 3.71Å; W746-Y967 HydrophobicContact CZ2-CE2 3.71Å; W746-Y967 HydrophobicContact CZ2-CG 4.49Å; W746-Y967 AromaticContact CZ2-CZ 3.47Å; W746-Y967 VanDerWaalsContact CZ2-CZ 3.47Å; Y748-Y967 WeakPolarHBondContact O-CA 3.06Å; P750-Y967 HydrophobicContact CG-CE1 4.23Å; A963-Y967 WeakPolarHBondContact CA-O 3.39Å; I964-Y967 PolarHBondContact N-O 2.88Å; I964-Y967 PolarHBondContact O-N 3.49Å; Y967-N971 HydrophobicContact CD1-CB 3.94Å; Y967-N971 HydrophobicContact CG-CB 4.22Å; Y967-L972 HydrophobicContact CD2-CB 4.5Å; Y967-L972 HydrophobicContact CD2-CD1 4.01Å
968	V	98.2	Very high	96.7	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	10%	0.104	C	C	.	.			trans	-126.2	162.3	177.9	-63.2	0	0	0	0	111.9	Y748 L770 I961 H962 A963 G970 N971 G1053	Y748-V968 WeakPolarHBondContact O-CG2 3.41Å; Y748-V968 PolarHBondContact O-N 2.86Å; Y748-V968 VanDerWaalsContact O-N 3.13Å; L770-V968 HydrophobicContact CD1-CG2 4.45Å; L770-V968 HydrophobicContact CD2-CG2 4.09Å; I961-V968 HydrophobicContact CG2-CG1 3.78Å; H962-V968 WeakPolarHBondContact O-CG1 3.27Å; A963-V968 HydrophobicContact CB-CG1 4.02Å; V968-G970 PolarHBondContact O-N 3.45Å; V968-N971 WeakPolarHBondContact O-CB 3.36Å; V968-N971 PolarHBondContact O-N 2.76Å; V968-N971 PolarHBondContact O-ND2 3.47Å; V968-G1053 CarbonylContact C-O 3.56Å; V968-G1053 WeakPolarHBondContact CA-O 3.47Å; V968-G1053 WeakPolarHBondContact CB-O 3.14Å
969	Y	96.9	Very high	96.6	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	49.8	173.3	-57.9	-76.2	0	0	0	114	W754 E755 F759 A766 L770 N971 S1051 A1052 G1053	W754-Y969 WeakPolarHBondContact CB-O 3.3Å; W754-Y969 HydrophobicContact CZ3-CD1 4.28Å; E755-Y969 HydrophobicContact CB-CD1 4.44Å; E755-Y969 HydrophobicContact CB-CG 4.22Å; E755-Y969 HydrophobicContact CG-CD1 4.22Å; E755-Y969 HydrophobicContact CG-CG 4.23Å; F759-Y969 HydrophobicContact CE2-CD1 4.23Å; F759-Y969 HydrophobicContact CE2-CE1 4.02Å; A766-Y969 VanDerWaalsContact CA-OH 3.23Å; A766-Y969 WeakPolarHBondContact CA-OH 3.42Å; A766-Y969 HydrophobicContact CB-CD2 4.26Å; A766-Y969 HydrophobicContact CB-CE1 4.01Å; A766-Y969 HydrophobicContact CB-CE2 3.54Å; A766-Y969 WeakPolarHBondContact CB-OH 3.4Å; A766-Y969 PolarHBondContact N-OH 2.85Å; L770-Y969 HydrophobicContact CD1-CD2 3.74Å; L770-Y969 HydrophobicContact CD1-CE2 3.81Å; L770-Y969 HydrophobicContact CG-CE2 4.34Å; Y969-N971 VanDerWaalsContact C-N 3.32Å; Y969-N971 PolarHBondContact O-N 3.19Å; Y969-S1051 PolarHBondContact OH-O 3.47Å; Y969-A1052 WeakPolarHBondContact CE2-O 3.45Å; Y969-A1052 VanDerWaalsContact CZ-C 3.47Å; Y969-A1052 VanDerWaalsContact CZ-O 3.27Å; Y969-A1052 WeakPolarHBondContact OH-CA 3.47Å; Y969-A1052 PolarHBondContact OH-O 3.43Å; Y969-G1053 VanDerWaalsContact CZ-CA 3.47Å; Y969-G1053 PolarHBondContact N-O 2.78Å
970	G	95.8	Very high	96.3	Very high	13 Å²	13	24.3 Å²	24.3	13%	0.134	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	12.2	175.2	0	0	0	0	0	115.3	V968 L972 E1055	V968-G970 PolarHBondContact O-N 3.45Å; G970-L972 VanDerWaalsContact C-N 3.29Å; G970-L972 PolarHBondContact O-N 3.3Å; G970-E1055 PolarHBondContact N-O 3.39Å
971	N	97.7	Very high	96	Very high	12 Å²	12	22.3 Å²	22.3	6%	0.064	13%	0.131	C	C	.	.			trans	-76.6	-11.8	178	-80.4	-87	0	0	0	114.3	S749 P750 N751 Y967 V968 Y969 N973	S749-N971 PolarHBondContact OG-ND2 2.97Å; P750-N971 WeakPolarHBondContact CD-OD1 3.37Å; N751-N971 WeakPolarHBondContact CB-OD1 3.34Å; N751-N971 PolarHBondContact N-OD1 3.13Å; N751-N971 PolarHBondContact O-ND2 3.04Å; N751-N971 PolarHBondContact O-OD1 3.34Å; N751-N971 VanDerWaalsContact O-OD1 3.07Å; Y967-N971 HydrophobicContact CD1-CB 3.94Å; Y967-N971 HydrophobicContact CG-CB 4.22Å; V968-N971 WeakPolarHBondContact O-CB 3.36Å; V968-N971 PolarHBondContact O-N 2.76Å; V968-N971 PolarHBondContact O-ND2 3.47Å; Y969-N971 VanDerWaalsContact C-N 3.32Å; Y969-N971 PolarHBondContact O-N 3.19Å; N971-N973 PolarHBondContact O-N 3.15Å; N971-N973 PolarHBondContact O-ND2 2.87Å
972	L	97.3	Very high	95.7	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	14%	0.144	C	C	.	.			trans	-72.3	114.1	176.4	179.6	59.7	0	0	0	110.9	H806 L921 I964 N965 Y967 G970 L975 A1056	H806-L972 HydrophobicContact CB-CD1 4.48Å; H806-L972 VanDerWaalsContact O-CD1 3.26Å; H806-L972 WeakPolarHBondContact O-CD1 3.18Å; L921-L972 HydrophobicContact CD2-CD2 4.11Å; I964-L972 HydrophobicContact CB-CD2 4.13Å; I964-L972 HydrophobicContact CG2-CD2 3.59Å; N965-L972 HydrophobicContact CB-CD1 4.01Å; N965-L972 HydrophobicContact CB-CD2 4.49Å; Y967-L972 HydrophobicContact CD2-CB 4.5Å; Y967-L972 HydrophobicContact CD2-CD1 4.01Å; G970-L972 VanDerWaalsContact C-N 3.29Å; G970-L972 PolarHBondContact O-N 3.3Å; L972-L975 HydrophobicContact CD2-CD1 3.95Å; L972-L975 HydrophobicContact CG-CD1 4.31Å; L972-A1056 HydrophobicContact CB-CB 3.93Å; L972-A1056 HydrophobicContact CD2-CB 3.85Å; L972-A1056 HydrophobicContact CG-CB 4.35Å
973	N	93.4	Very high	95.5	Very high	101 Å²	101	25.2 Å²	25.2	54%	0.54	14%	0.143	S	C	.	.			trans	-102.3	176.2	178.4	-64.6	-50.1	0	0	0	112.2	H806 N971 L975	H806-N973 WeakPolarHBondContact CA-O 3.39Å; H806-N973 WeakPolarHBondContact CB-O 3.39Å; H806-N973 PolarHBondContact N-O 2.61Å; N971-N973 PolarHBondContact O-N 3.15Å; N971-N973 PolarHBondContact O-ND2 2.87Å; N973-L975 PolarHBondContact O-N 2.93Å
974	G	92.9	Very high	95.3	Very high	9 Å²	9	25.4 Å²	25.4	9%	0.093	14%	0.144	C	C	.	.			trans	86.3	1.1	170.7	0	0	0	0	0	115.9	F919 N976	F919-G974 WeakPolarHBondContact CE1-O 3.16Å; G974-N976 VanDerWaalsContact C-N 3.28Å; G974-N976 PolarHBondContact O-N 3.1Å; G974-N976 VanDerWaalsContact O-N 3.13Å
975	L	96.4	Very high	95.3	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	14%	0.144	C	C	.	.			trans	-86.7	63.4	175.3	-60.1	179.5	0	0	0	111.3	H806 F919 L921 L972 N973 W985 L1042 Y1058 T1059	H806-L975 HydrophobicContact CB-CD2 3.65Å; H806-L975 HydrophobicContact CB-CG 4.21Å; F919-L975 HydrophobicContact CB-CD2 3.97Å; F919-L975 HydrophobicContact CD1-CD2 3.56Å; F919-L975 HydrophobicContact CD2-CD2 4.38Å; F919-L975 HydrophobicContact CE1-CD2 4.17Å; F919-L975 HydrophobicContact CG-CD2 3.7Å; L921-L975 HydrophobicContact CD2-CD1 4.36Å; L921-L975 HydrophobicContact CD2-CD2 4.24Å; L972-L975 HydrophobicContact CD2-CD1 3.95Å; L972-L975 HydrophobicContact CG-CD1 4.31Å; N973-L975 PolarHBondContact O-N 2.93Å; L975-W985 HydrophobicContact CD1-CH2 4.47Å; L975-W985 HydrophobicContact CD1-CZ3 4.25Å; L975-W985 HydrophobicContact CD2-CH2 4.32Å; L975-W985 HydrophobicContact CD2-CZ3 3.85Å; L975-L1042 HydrophobicContact CD1-CD2 3.96Å; L975-Y1058 CarbonylContact O-C 3.55Å; L975-Y1058 WeakPolarHBondContact O-CA 3.43Å; L975-T1059 PolarHBondContact O-N 2.8Å
976	N	94.9	Very high	95.3	Very high	94 Å²	94	25.4 Å²	25.4	50%	0.503	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134.2	-176.9	-58	-60	0	0	0	110.9	F919 G974 T1059	F919-N976 WeakPolarHBondContact CZ-O 3.31Å; G974-N976 VanDerWaalsContact C-N 3.28Å; G974-N976 PolarHBondContact O-N 3.1Å; G974-N976 VanDerWaalsContact O-N 3.13Å; N976-T1059 WeakPolarHBondContact CA-O 3.34Å
977	M	94.6	Very high	95.3	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.03	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	169.1	179.4	63.1	-161.9	77.8	0	0	111	F919 V983 W985 M1032 P1034 Y1058 T1059 V1060 T1061	F919-M977 HydrophobicContact CD2-CE 4.09Å; F919-M977 HydrophobicContact CE2-CE 3.35Å; F919-M977 HydrophobicContact CE2-SD 4.5Å; F919-M977 HydrophobicContact CZ-CE 4.05Å; M977-V983 HydrophobicContact CB-CG2 4.32Å; M977-V983 HydrophobicContact SD-CG2 3.78Å; M977-W985 HydrophobicContact CE-CH2 3.89Å; M977-W985 HydrophobicContact CE-CZ2 3.55Å; M977-W985 HydrophobicContact SD-CZ2 4.49Å; M977-M1032 HydrophobicContact CE-CE 3.98Å; M977-M1032 HydrophobicContact SD-CE 3.16Å; M977-M1032 WeakPolarHBondContact SD-CE 3.39Å; M977-P1034 HydrophobicContact CG-CB 4.49Å; M977-P1034 HydrophobicContact CG-CG 4.06Å; M977-P1034 HydrophobicContact SD-CB 4.27Å; M977-P1034 HydrophobicContact SD-CG 4.01Å; M977-Y1058 HydrophobicContact CE-CD2 3.84Å; M977-Y1058 HydrophobicContact CE-CG 4.45Å; M977-Y1058 HydrophobicContact SD-CD2 4.27Å; M977-T1059 PolarHBondContact N-O 3.42Å; M977-V1060 HydrophobicContact CG-CB 4.49Å; M977-V1060 HydrophobicContact CG-CG2 3.87Å; M977-V1060 CarbonylContact O-C 3.55Å; M977-V1060 VanDerWaalsContact O-CA 3.29Å; M977-V1060 WeakPolarHBondContact O-CA 3.11Å; M977-V1060 HydrophobicContact SD-CG2 4.21Å; M977-T1061 PolarHBondContact O-N 3.19Å; M977-T1061 PolarHBondContact O-OG1 3.38Å
978	E	94.1	Very high	95.3	Very high	69 Å²	69	23 Å²	23	32%	0.322	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	152.7	178.9	-54.1	-172.6	152.4	0	0	112	G980 D981 P1034 T1061 K1063	E978-G980 PolarHBondContact O-N 3.21Å; E978-D981 WeakPolarHBondContact CA-OD2 3.42Å; E978-D981 WeakPolarHBondContact CB-OD2 3.3Å; E978-D981 PolarHBondContact N-OD2 3.4Å; E978-D981 VanDerWaalsContact O-CB 3.3Å; E978-D981 WeakPolarHBondContact O-CB 3.29Å; E978-D981 VanDerWaalsContact O-CG 3.26Å; E978-D981 PolarHBondContact O-N 2.96Å; E978-P1034 VanDerWaalsContact O-CG 3.3Å; E978-P1034 WeakPolarHBondContact O-CG 3.31Å; E978-T1061 CarbonylContact C-O 3.49Å; E978-T1061 WeakPolarHBondContact CA-O 3.26Å; E978-K1063 HydrophobicContact CB-CD 4.35Å; E978-K1063 VanDerWaalsContact CB-CE 3.48Å; E978-K1063 HydrophobicContact CB-CG 3.72Å; E978-K1063 VanDerWaalsContact OE2-CE 3.29Å; E978-K1063 WeakPolarHBondContact OE2-CE 3.26Å; E978-K1063 WeakPolarHBondContact OE2-CG 3.33Å
979	V	93.6	Very high	95.3	Very high	42 Å²	42	22.9 Å²	22.9	26%	0.255	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	127.5	175.4	172.3	0	0	0	0	111.3	D981 E1035 V1060 T1061 K1063	V979-D981 VanDerWaalsContact C-N 3.35Å; V979-E1035 WeakPolarHBondContact CG1-O 3.45Å; V979-V1060 HydrophobicContact CG2-CG1 3.68Å; V979-T1061 PolarHBondContact N-O 3.45Å; V979-K1063 WeakPolarHBondContact O-CD 3.5Å; V979-K1063 WeakPolarHBondContact O-CE 3.42Å; V979-K1063 WeakPolarHBondContact O-CG 3.47Å; V979-K1063 PolarHBondContact O-NZ 3.07Å
980	G	90.6	Very high	95.2	Very high	45 Å²	45	23.2 Å²	23.2	46%	0.464	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	10.4	179.9	0	0	0	0	0	115.2	E978 P1034	E978-G980 PolarHBondContact O-N 3.21Å; G980-P1034 PolarHBondContact N-O 2.82Å
981	D	91.5	Very high	95.2	Very high	12 Å²	12	22.7 Å²	22.7	6%	0.064	13%	0.13	C	C	.	.			trans	-62.9	157.7	166.6	-76.8	-15.6	0	0	0	112.3	E978 V979 V983 P1034 K1063	E978-D981 WeakPolarHBondContact CA-OD2 3.42Å; E978-D981 WeakPolarHBondContact CB-OD2 3.3Å; E978-D981 PolarHBondContact N-OD2 3.4Å; E978-D981 VanDerWaalsContact O-CB 3.3Å; E978-D981 WeakPolarHBondContact O-CB 3.29Å; E978-D981 VanDerWaalsContact O-CG 3.26Å; E978-D981 PolarHBondContact O-N 2.96Å; V979-D981 VanDerWaalsContact C-N 3.35Å; D981-V983 HydrophobicContact CB-CG2 4.08Å; D981-P1034 HydrophobicContact CB-CG 4.47Å; D981-P1034 WeakPolarHBondContact O-CD 3.46Å; D981-K1063 VanDerWaalsContact OD1-CE 3.22Å; D981-K1063 WeakPolarHBondContact OD1-CE 2.84Å; D981-K1063 IonicContact OD1-NZ 3.86Å; D981-K1063 PolarHBondContact OD1-NZ 3.13Å
982	K	91.3	Very high	95	Very high	67 Å²	67	23 Å²	23	29%	0.291	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	110.2	167.2	-177.5	-178.6	174.8	-173	0	107.4	V916 E917 Y984	V916-K982 WeakPolarHBondContact CA-O 3.46Å; E917-K982 PolarHBondContact N-O 3.26Å; K982-Y984 WeakPolarHBondContact CE-OH 3.48Å; K982-Y984 PolarHBondContact NZ-OH 2.86Å
983	V	93.9	Very high	94.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.4	-174.5	-172.8	0	0	0	0	109.3	E917 F919 M977 D981 W985 K1031 M1032	E917-V983 HydrophobicContact CB-CG1 4.36Å; E917-V983 HydrophobicContact CB-CG2 4.27Å; E917-V983 CarbonylContact O-C 3.53Å; E917-V983 WeakPolarHBondContact O-CA 3.48Å; F919-V983 HydrophobicContact CD2-CG1 3.45Å; F919-V983 VanDerWaalsContact CD2-CG1 3.45Å; F919-V983 HydrophobicContact CE2-CG1 3.51Å; M977-V983 HydrophobicContact CB-CG2 4.32Å; M977-V983 HydrophobicContact SD-CG2 3.78Å; D981-V983 HydrophobicContact CB-CG2 4.08Å; V983-W985 HydrophobicContact CG1-CD2 4.42Å; V983-W985 HydrophobicContact CG1-CG 4.49Å; V983-W985 HydrophobicContact CG1-CZ2 4.45Å; V983-K1031 VanDerWaalsContact O-CA 3.31Å; V983-K1031 WeakPolarHBondContact O-CA 3.48Å; V983-M1032 HydrophobicContact CB-CB 4.3Å; V983-M1032 PolarHBondContact N-O 2.94Å; V983-M1032 PolarHBondContact O-N 3.16Å
984	Y	95.2	Very high	94.8	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.6	164.2	-73.3	-74.1	0	0	0	109.6	V916 E917 E918 F919 K982 T1029 V1030 K1031	V916-Y984 HydrophobicContact CG1-CD2 3.29Å; V916-Y984 HydrophobicContact CG1-CE2 3.57Å; E917-Y984 PolarHBondContact O-N 2.98Å; E918-Y984 WeakPolarHBondContact CA-O 3.47Å; F919-Y984 PolarHBondContact N-O 2.8Å; K982-Y984 WeakPolarHBondContact CE-OH 3.48Å; K982-Y984 PolarHBondContact NZ-OH 2.86Å; Y984-T1029 HydrophobicContact CD1-CG2 3.54Å; Y984-T1029 HydrophobicContact CE1-CG2 4.18Å; Y984-T1029 HydrophobicContact CG-CG2 4.37Å; Y984-V1030 WeakPolarHBondContact CA-O 3.22Å; Y984-K1031 HydrophobicContact CD1-CG 3.7Å; Y984-K1031 HydrophobicContact CE1-CD 4.04Å; Y984-K1031 HydrophobicContact CE1-CG 3.53Å
985	W	97.8	Very high	95	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.3	168.4	-59.1	92.6	0	0	0	108.2	F919 L921 L975 M977 V983 L987 W1001 T1029 V1030 M1032 L1042 Y1058	F919-W985 HydrophobicContact CB-CD2 4.26Å; F919-W985 HydrophobicContact CB-CE3 3.58Å; F919-W985 HydrophobicContact CB-CZ3 3.83Å; F919-W985 HydrophobicContact CD2-CD2 4.12Å; F919-W985 AromaticContact CD2-CE3 3.96Å; F919-W985 HydrophobicContact CD2-CE3 3.96Å; F919-W985 AromaticContact CD2-CH2 3.87Å; F919-W985 HydrophobicContact CD2-CH2 3.87Å; F919-W985 HydrophobicContact CD2-CZ2 4.03Å; F919-W985 AromaticContact CD2-CZ3 3.83Å; F919-W985 HydrophobicContact CD2-CZ3 3.83Å; F919-W985 HydrophobicContact CE2-CH2 4.47Å; F919-W985 HydrophobicContact CG-CE3 4.15Å; F919-W985 HydrophobicContact CG-CH2 4.46Å; F919-W985 HydrophobicContact CG-CZ3 4.03Å; F919-W985 CarbonylContact O-C 3.59Å; F919-W985 WeakPolarHBondContact O-CA 3.3Å; L921-W985 HydrophobicContact CD1-CE3 3.53Å; L921-W985 HydrophobicContact CD1-CZ3 3.74Å; L921-W985 HydrophobicContact CD2-CZ3 4.48Å; L921-W985 HydrophobicContact CG-CE3 4.1Å; L921-W985 HydrophobicContact CG-CZ3 4.33Å; L975-W985 HydrophobicContact CD1-CH2 4.47Å; L975-W985 HydrophobicContact CD1-CZ3 4.25Å; L975-W985 HydrophobicContact CD2-CH2 4.32Å; L975-W985 HydrophobicContact CD2-CZ3 3.85Å; M977-W985 HydrophobicContact CE-CH2 3.89Å; M977-W985 HydrophobicContact CE-CZ2 3.55Å; M977-W985 HydrophobicContact SD-CZ2 4.49Å; V983-W985 HydrophobicContact CG1-CD2 4.42Å; V983-W985 HydrophobicContact CG1-CG 4.49Å; V983-W985 HydrophobicContact CG1-CZ2 4.45Å; W985-L987 HydrophobicContact CB-CD2 4.23Å; W985-W1001 HydrophobicContact CB-CZ2 4.46Å; W985-W1001 AromaticContact CD2-NE1 3.79Å; W985-W1001 AromaticContact CE2-NE1 3.6Å; W985-W1001 HydrophobicContact CG-CZ2 4.4Å; W985-W1001 AromaticContact CZ2-NE1 3.76Å; W985-W1001 AromaticContact NE1-NE1 3.95Å; W985-T1029 WeakPolarHBondContact O-CA 3.32Å; W985-V1030 HydrophobicContact CB-CG2 3.65Å; W985-V1030 HydrophobicContact CG-CG2 4.29Å; W985-V1030 PolarHBondContact N-O 2.83Å; W985-V1030 PolarHBondContact O-N 3.35Å; W985-M1032 HydrophobicContact CZ2-CE 3.78Å; W985-M1032 HydrophobicContact CZ2-SD 4.46Å; W985-L1042 HydrophobicContact CZ3-CD2 4.18Å; W985-Y1058 HydrophobicContact CH2-CG 4.34Å
986	Y	98	Very high	95	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	99.1	176.4	-63.4	-55.3	0	0	0	108.5	M813 C876 V878 V900 E918 F919 A920 L921 T1029	M813-Y986 HydrophobicContact CE-CD2 3.73Å; M813-Y986 HydrophobicContact CE-CE2 3.81Å; C876-Y986 HydrophobicContact CB-CE1 4.29Å; V878-Y986 HydrophobicContact CB-CD1 3.74Å; V878-Y986 HydrophobicContact CB-CG 3.99Å; V878-Y986 HydrophobicContact CG1-CD1 3.92Å; V878-Y986 HydrophobicContact CG1-CG 4.26Å; V878-Y986 HydrophobicContact CG2-CG 4.48Å; V900-Y986 HydrophobicContact CG1-CE1 4.12Å; V900-Y986 HydrophobicContact CG1-CE2 4.15Å; V900-Y986 HydrophobicContact CG2-CD2 4.04Å; V900-Y986 HydrophobicContact CG2-CE2 3.9Å; V900-Y986 HydrophobicContact CG2-CG 4.42Å; E918-Y986 HydrophobicContact CB-CE2 3.88Å; E918-Y986 HydrophobicContact CG-CE2 3.97Å; E918-Y986 PolarHBondContact OE1-OH 3.18Å; F919-Y986 PolarHBondContact O-N 3.02Å; A920-Y986 CarbonylContact C-O 3.58Å; A920-Y986 WeakPolarHBondContact CA-O 3.42Å; L921-Y986 PolarHBondContact N-O 2.85Å; Y986-T1029 HydrophobicContact CD1-CG2 3.86Å; Y986-T1029 HydrophobicContact CE1-CG2 3.67Å
987	L	98.4	Very high	95.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	136.3	-175.4	-52.3	178.8	0	0	0	110.5	L921 W985 W1001 Y1020 L1022 F1027 Q1028 V1030	L921-L987 HydrophobicContact CB-CD2 4.34Å; L921-L987 HydrophobicContact CD1-CD2 4.1Å; L921-L987 CarbonylContact O-C 3.54Å; W985-L987 HydrophobicContact CB-CD2 4.23Å; L987-W1001 HydrophobicContact CD1-CH2 3.79Å; L987-W1001 HydrophobicContact CD1-CZ2 4.39Å; L987-W1001 HydrophobicContact CD2-CH2 4.15Å; L987-W1001 HydrophobicContact CD2-CZ2 3.96Å; L987-Y1020 HydrophobicContact CD1-CD1 3.92Å; L987-Y1020 HydrophobicContact CD1-CG 4.17Å; L987-L1022 HydrophobicContact CB-CD1 3.98Å; L987-L1022 HydrophobicContact CB-CD2 3.81Å; L987-L1022 HydrophobicContact CB-CG 4.46Å; L987-F1027 VanDerWaalsContact O-CA 3.32Å; L987-F1027 WeakPolarHBondContact O-CA 3.34Å; L987-Q1028 WeakPolarHBondContact CB-O 3.44Å; L987-Q1028 PolarHBondContact N-O 3.03Å; L987-Q1028 PolarHBondContact O-N 3.11Å; L987-V1030 HydrophobicContact CD1-CG1 3.96Å; L987-V1030 HydrophobicContact CD1-CG2 4.1Å; L987-V1030 HydrophobicContact CG-CG2 4.46Å
988	M	98.4	Very high	95.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	125.3	178	-56.4	-176.4	-68.5	0	0	110.3	M810 V878 A880 P898 L921 L922 F923 F1027	M810-M988 HydrophobicContact CE-CE 4.45Å; M810-M988 HydrophobicContact SD-CE 3.34Å; M810-M988 WeakPolarHBondContact SD-CE 3.31Å; V878-M988 HydrophobicContact CG2-CG 4.01Å; V878-M988 HydrophobicContact CG2-SD 3.75Å; A880-M988 HydrophobicContact CB-SD 4.34Å; P898-M988 HydrophobicContact CB-CE 3.81Å; P898-M988 HydrophobicContact CB-SD 3.97Å; P898-M988 HydrophobicContact CG-CE 4.39Å; L921-M988 PolarHBondContact O-N 2.94Å; L922-M988 WeakPolarHBondContact CA-O 3.23Å; L922-M988 HydrophobicContact CB-CE 4.31Å; L922-M988 HydrophobicContact CD1-CB 4.18Å; F923-M988 PolarHBondContact N-O 2.95Å; M988-F1027 HydrophobicContact CB-CD1 3.78Å; M988-F1027 HydrophobicContact CB-CE1 4.16Å; M988-F1027 HydrophobicContact CG-CD1 3.73Å; M988-F1027 HydrophobicContact CG-CE1 4.36Å
989	G	97.6	Very high	95.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142	164.5	0	0	0	0	0	110.4	F1023 A1025 I1026	G989-F1023 CarbonylContact C-O 3.55Å; G989-A1025 VanDerWaalsContact O-CA 3.32Å; G989-A1025 WeakPolarHBondContact O-CA 3.1Å; G989-A1025 PolarHBondContact O-N 3.27Å; G989-I1026 PolarHBondContact N-O 2.88Å
990	M	96.5	Very high	95.6	Very high	8 Å²	8	11.2 Å²	11.2	4%	0.039	7%	0.067	C	C	.	.			trans	-147.7	166.7	174.8	-71.5	-63.8	-70.3	0	0	107.7	L891 I896 L922 L924 D995 A1025 F1027	L891-M990 HydrophobicContact CD1-CB 4.42Å; L891-M990 HydrophobicContact CD1-CE 4.34Å; L891-M990 HydrophobicContact CD2-CB 4.27Å; L891-M990 HydrophobicContact CD2-CE 4.14Å; I896-M990 HydrophobicContact CD1-CG 4.25Å; L922-M990 HydrophobicContact CD1-CB 4.22Å; L922-M990 HydrophobicContact CD1-CG 4.12Å; L924-M990 HydrophobicContact CD1-CB 4.3Å; L924-M990 WeakPolarHBondContact CD1-O 3.4Å; M990-D995 VanDerWaalsContact O-CB 3.32Å; M990-D995 WeakPolarHBondContact O-CB 3.27Å; M990-D995 VanDerWaalsContact O-CG 3.28Å; M990-A1025 HydrophobicContact SD-CB 3.89Å; M990-F1027 HydrophobicContact SD-CE1 4.08Å; M990-F1027 HydrophobicContact SD-CZ 4.03Å
991	G	94.9	Very high	96	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.01	5%	0.046	C	C	.	.	S	Bend	trans	119.3	-137.4	171.3	0	0	0	0	0	113.5	V705 D995	V705-G991 WeakPolarHBondContact CG2-O 3.48Å; V705-G991 PolarHBondContact N-O 2.78Å; G991-D995 VanDerWaalsContact CA-OD2 3.31Å; G991-D995 WeakPolarHBondContact CA-OD2 3.43Å
992	N	94.5	Very high	96.3	Very high	19 Å²	19	8.6 Å²	8.6	10%	0.102	4%	0.043	C	C	.	.	S	Bend	trans	-117	-166.2	-168.1	-149.7	4.3	0	0	0	113.5	V705 D706 V994 D995 P1024	V705-N992 HydrophobicContact CB-CB 4.29Å; D706-N992 WeakPolarHBondContact CB-OD1 3.08Å; D706-N992 PolarHBondContact N-OD1 3.1Å; D706-N992 PolarHBondContact OD1-ND2 3.44Å; D706-N992 PolarHBondContact OD2-ND2 3.24Å; D706-N992 PolarHBondContact OD2-OD1 2.74Å; N992-V994 PolarHBondContact O-N 2.78Å; N992-D995 PolarHBondContact N-OD2 2.86Å; N992-D995 WeakPolarHBondContact O-CB 3.42Å; N992-D995 PolarHBondContact O-N 3.16Å; N992-P1024 VanDerWaalsContact O-CG 3.27Å; N992-P1024 WeakPolarHBondContact O-CG 3.32Å
993	E	92.6	Very high	96.4	Very high	38 Å²	38	5.5 Å²	5.5	18%	0.178	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.6	-179.2	-60.8	171	-175.8	0	0	112.2	T656 I658 T704 H707 D995	T656-E993 WeakPolarHBondContact CB-OE2 3.38Å; T656-E993 WeakPolarHBondContact O-CG 3.44Å; I658-E993 WeakPolarHBondContact CD1-O 3.39Å; T704-E993 HydrophobicContact CG2-CB 4.41Å; T704-E993 HydrophobicContact CG2-CG 3.6Å; H707-E993 IonicContact CE1-OE1 3.5Å; H707-E993 PolarHBondContact CE1-OE1 3.43Å; H707-E993 IonicContact CG-OE1 2.75Å; H707-E993 IonicContact ND1-OE1 3.88Å; H707-E993 PolarHBondContact ND1-OE1 2.68Å; H707-E993 IonicContact NE2-OE1 3.39Å; E993-D995 VanDerWaalsContact C-N 3.3Å; E993-D995 PolarHBondContact O-N 2.68Å
994	V	94.1	Very high	96.5	Very high	38 Å²	38	5.7 Å²	5.7	23%	0.23	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-18.1	173.8	-58.4	0	0	0	0	113.2	E293 V925 N992 I996 H1049	E293-V994 WeakPolarHBondContact OE2-CG1 3.48Å; V925-V994 HydrophobicContact CB-CG2 4.41Å; V925-V994 HydrophobicContact CG2-CG2 4.27Å; N992-V994 PolarHBondContact O-N 2.78Å; V994-I996 PolarHBondContact O-N 3.09Å; V994-H1049 PolarHBondContact O-CE1 3.18Å; V994-H1049 PolarHBondContact O-NE2 2.89Å
995	D	96.4	Very high	96.5	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.005	3%	0.031	C	C	.	.			trans	-79.8	51	-176.5	-70.3	-82.7	0	0	0	112.9	L924 V925 M990 G991 N992 E993 H997 P1024	L924-D995 WeakPolarHBondContact CA-OD1 3.46Å; V925-D995 WeakPolarHBondContact CG2-OD1 3.48Å; V925-D995 PolarHBondContact N-OD1 2.7Å; M990-D995 VanDerWaalsContact O-CB 3.32Å; M990-D995 WeakPolarHBondContact O-CB 3.27Å; M990-D995 VanDerWaalsContact O-CG 3.28Å; G991-D995 VanDerWaalsContact CA-OD2 3.31Å; G991-D995 WeakPolarHBondContact CA-OD2 3.43Å; N992-D995 PolarHBondContact N-OD2 2.86Å; N992-D995 WeakPolarHBondContact O-CB 3.42Å; N992-D995 PolarHBondContact O-N 3.16Å; E993-D995 VanDerWaalsContact C-N 3.3Å; E993-D995 PolarHBondContact O-N 2.68Å; D995-H997 IonicContact OD1-CE1 3.46Å; D995-H997 PolarHBondContact OD1-CE1 3.5Å; D995-H997 IonicContact OD1-NE2 3.31Å; D995-H997 PolarHBondContact OD1-NE2 3.39Å; D995-H997 VanDerWaalsContact OD1-NE2 3.08Å; D995-P1024 HydrophobicContact CB-CG 4.3Å
996	I	95.4	Very high	96.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.031	C	C	.	.			trans	-87	120.6	159.8	69.7	175.4	0	0	0	108.4	E293 P320 I658 V994 F1023 V1046 H1049	E293-I996 VanDerWaalsContact O-CD1 3.26Å; E293-I996 WeakPolarHBondContact O-CD1 3.36Å; P320-I996 HydrophobicContact CG-CD1 4.44Å; I658-I996 HydrophobicContact CD1-CG2 3.17Å; I658-I996 HydrophobicContact CG1-CG2 3.98Å; I658-I996 HydrophobicContact CG2-CG2 4.41Å; V994-I996 PolarHBondContact O-N 3.09Å; I996-F1023 HydrophobicContact CB-CD1 4.35Å; I996-F1023 HydrophobicContact CB-CE1 4.24Å; I996-F1023 HydrophobicContact CG2-CD1 3.9Å; I996-F1023 HydrophobicContact CG2-CE1 3.98Å; I996-V1046 HydrophobicContact CG1-CG2 4.01Å; I996-V1046 WeakPolarHBondContact O-CG2 3.5Å; I996-H1049 PolarHBondContact O-CE1 2.76Å; I996-H1049 PolarHBondContact O-ND1 2.66Å
997	H	97.6	Very high	96.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.4	-178.6	-50	-55.5	0	0	0	110.7	F923 D995 E1021 L1022 H1049	F923-H997 HydrophobicContact CB-CB 3.83Å; F923-H997 WeakPolarHBondContact CB-CD2 3.22Å; F923-H997 HydrophobicContact CD1-CB 4.21Å; F923-H997 HydrophobicContact CG-CB 4.22Å; F923-H997 PolarHBondContact O-CD2 3.17Å; F923-H997 PolarHBondContact O-NE2 2.92Å; D995-H997 IonicContact OD1-CE1 3.46Å; D995-H997 PolarHBondContact OD1-CE1 3.5Å; D995-H997 IonicContact OD1-NE2 3.31Å; D995-H997 PolarHBondContact OD1-NE2 3.39Å; D995-H997 VanDerWaalsContact OD1-NE2 3.08Å; H997-E1021 CarbonylContact O-C 3.06Å; H997-E1021 WeakPolarHBondContact O-CA 3.17Å; H997-L1022 HydrophobicContact CB-CB 4.3Å; H997-L1022 PolarHBondContact N-O 3.34Å; H997-L1022 PolarHBondContact O-N 2.97Å; H997-H1049 AromaticContact CE1-CE1 3.71Å; H997-H1049 AromaticContact CE1-ND1 3.93Å; H997-H1049 AromaticContact ND1-CE1 3.44Å; H997-H1049 PolarHBondContact ND1-CE1 3.12Å; H997-H1049 AromaticContact ND1-ND1 3.32Å; H997-H1049 PolarHBondContact ND1-ND1 3.29Å
998	T	97.2	Very high	96.2	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.012	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	95.6	178.1	54.1	0	0	0	0	109.2	F319 P320 H1000 Y1020 E1021 C1044 H1045	F319-T998 HydrophobicContact CB-CG2 4.14Å; P320-T998 WeakPolarHBondContact O-CB 3.49Å; P320-T998 WeakPolarHBondContact O-CG2 3.26Å; P320-T998 PolarHBondContact O-OG1 3.01Å; T998-H1000 PolarHBondContact O-N 3.35Å; T998-Y1020 WeakPolarHBondContact CA-O 3.3Å; T998-E1021 HydrophobicContact CG2-CB 4.31Å; T998-E1021 HydrophobicContact CG2-CG 3.86Å; T998-C1044 CarbonylContact O-C 3.46Å; T998-C1044 WeakPolarHBondContact O-CA 3.44Å; T998-H1045 PolarHBondContact O-N 3.36Å; T998-H1045 VanDerWaalsContact OG1-CB 3.32Å; T998-H1045 WeakPolarHBondContact OG1-CB 3.34Å; T998-H1045 PolarHBondContact OG1-N 3.1Å
999	V	98.1	Very high	96	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	117.2	-172	-174	0	0	0	0	109.3	F923 W1001 S1019 Y1020 L1022 L1042	F923-V999 HydrophobicContact CD1-CG2 4.21Å; F923-V999 HydrophobicContact CD2-CG2 3.74Å; F923-V999 HydrophobicContact CE1-CG1 4.35Å; F923-V999 HydrophobicContact CE1-CG2 3.9Å; F923-V999 HydrophobicContact CE2-CB 4.28Å; F923-V999 HydrophobicContact CE2-CG1 3.88Å; F923-V999 HydrophobicContact CE2-CG2 3.39Å; F923-V999 HydrophobicContact CG-CG2 4.16Å; F923-V999 HydrophobicContact CZ-CB 4.06Å; F923-V999 HydrophobicContact CZ-CG1 3.53Å; F923-V999 HydrophobicContact CZ-CG2 3.5Å; V999-W1001 HydrophobicContact CB-CH2 3.88Å; V999-W1001 HydrophobicContact CB-CZ3 4.12Å; V999-W1001 HydrophobicContact CG1-CE3 4.39Å; V999-W1001 HydrophobicContact CG1-CH2 3.44Å; V999-W1001 VanDerWaalsContact CG1-CH2 3.44Å; V999-W1001 HydrophobicContact CG1-CZ2 3.61Å; V999-W1001 HydrophobicContact CG1-CZ3 3.88Å; V999-W1001 WeakPolarHBondContact O-CZ3 3.23Å; V999-S1019 CarbonylContact O-C 3.55Å; V999-S1019 WeakPolarHBondContact O-CA 3.4Å; V999-Y1020 PolarHBondContact N-O 3.15Å; V999-Y1020 PolarHBondContact O-N 3.04Å; V999-L1022 HydrophobicContact CG2-CD1 3.56Å; V999-L1022 HydrophobicContact CG2-CG 4.18Å; V999-L1042 HydrophobicContact CG1-CD1 3.67Å
1000	H	98.1	Very high	95.6	Very high	1 Å²	1	13 Å²	13	1%	0.005	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.9	179.8	179.3	52.6	0	0	0	112.1	H122 H124 T998 H1002 D1018 L1042 H1043	H122-H1000 AromaticContact NE2-NE2 3.45Å; H122-H1000 PolarHBondContact NE2-NE2 3.22Å; H124-H1000 AromaticContact CE1-CD2 3.72Å; H124-H1000 AromaticContact CE1-CE1 3.26Å; H124-H1000 PolarHBondContact CE1-CE1 3.47Å; H124-H1000 AromaticContact CE1-CG 3.81Å; H124-H1000 AromaticContact CE1-ND1 3.54Å; H124-H1000 AromaticContact CE1-NE2 3.38Å; H124-H1000 PolarHBondContact CE1-NE2 3.14Å; H124-H1000 AromaticContact ND1-CE1 3.4Å; H124-H1000 PolarHBondContact ND1-CE1 3.01Å; H124-H1000 AromaticContact ND1-ND1 3.71Å; H124-H1000 AromaticContact ND1-NE2 3.96Å; H124-H1000 AromaticContact NE2-CE1 3.84Å; H124-H1000 AromaticContact NE2-NE2 3.61Å; T998-H1000 PolarHBondContact O-N 3.35Å; H1000-H1002 AromaticContact CD2-CD2 3.31Å; H1000-H1002 PolarHBondContact CD2-CD2 3.04Å; H1000-H1002 AromaticContact CD2-NE2 3.54Å; H1000-H1002 AromaticContact NE2-CD2 3.44Å; H1000-H1002 PolarHBondContact NE2-CD2 2.82Å; H1000-H1002 AromaticContact NE2-NE2 3.82Å; H1000-D1018 WeakPolarHBondContact CA-O 3.45Å; H1000-D1018 IonicContact CE1-OD2 3.24Å; H1000-D1018 PolarHBondContact ND1-O 2.88Å; H1000-L1042 WeakPolarHBondContact O-CA 3.22Å; H1000-L1042 WeakPolarHBondContact O-CD1 3.44Å; H1000-H1043 AromaticContact CD2-NE2 3.56Å; H1000-H1043 PolarHBondContact N-O 2.85Å; H1000-H1043 PolarHBondContact O-N 2.8Å
1001	W	98.1	Very high	95.1	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.008	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.8	174.4	-64.9	-99.4	0	0	0	110.5	W985 L987 V999 H1004 V1006 D1018 V1030 L1042 Y1058	W985-W1001 HydrophobicContact CB-CZ2 4.46Å; W985-W1001 AromaticContact CD2-NE1 3.79Å; W985-W1001 AromaticContact CE2-NE1 3.6Å; W985-W1001 HydrophobicContact CG-CZ2 4.4Å; W985-W1001 AromaticContact CZ2-NE1 3.76Å; W985-W1001 AromaticContact NE1-NE1 3.95Å; L987-W1001 HydrophobicContact CD1-CH2 3.79Å; L987-W1001 HydrophobicContact CD1-CZ2 4.39Å; L987-W1001 HydrophobicContact CD2-CH2 4.15Å; L987-W1001 HydrophobicContact CD2-CZ2 3.96Å; V999-W1001 HydrophobicContact CB-CH2 3.88Å; V999-W1001 HydrophobicContact CB-CZ3 4.12Å; V999-W1001 HydrophobicContact CG1-CE3 4.39Å; V999-W1001 HydrophobicContact CG1-CH2 3.44Å; V999-W1001 VanDerWaalsContact CG1-CH2 3.44Å; V999-W1001 HydrophobicContact CG1-CZ2 3.61Å; V999-W1001 HydrophobicContact CG1-CZ3 3.88Å; V999-W1001 WeakPolarHBondContact O-CZ3 3.23Å; W1001-H1004 WeakPolarHBondContact CB-O 3.18Å; W1001-V1006 HydrophobicContact CD2-CG1 3.92Å; W1001-V1006 HydrophobicContact CE3-CG1 3.99Å; W1001-V1006 HydrophobicContact CE3-CG2 4.19Å; W1001-V1006 HydrophobicContact CG-CG1 4.4Å; W1001-V1006 HydrophobicContact CZ2-CG1 4.45Å; W1001-V1006 HydrophobicContact CZ3-CG1 4.32Å; W1001-V1006 HydrophobicContact CZ3-CG2 3.98Å; W1001-D1018 PolarHBondContact N-O 3.2Å; W1001-V1030 HydrophobicContact CH2-CG2 4.08Å; W1001-V1030 HydrophobicContact CZ2-CG2 4.14Å; W1001-L1042 HydrophobicContact CD2-CD1 4.09Å; W1001-L1042 HydrophobicContact CG-CD1 4Å; W1001-L1042 HydrophobicContact CZ2-CD1 4.4Å; W1001-Y1058 HydrophobicContact CB-CE1 4.47Å
1002	H	98.1	Very high	94.3	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	142.6	171.7	-75	-139.8	0	0	0	110.7	H122 E133 H184 H1000 H1004 W1040 L1041 H1043 Y1058	H122-H1002 AromaticContact CE1-CE1 3.64Å; H122-H1002 AromaticContact CE1-CG 3.96Å; H122-H1002 AromaticContact CE1-ND1 3.56Å; H122-H1002 AromaticContact NE2-CE1 3.96Å; E133-H1002 WeakPolarHBondContact OE1-CB 3.4Å; E133-H1002 IonicContact OE1-CE1 2.97Å; E133-H1002 IonicContact OE1-CG 2.65Å; E133-H1002 IonicContact OE1-ND1 2.9Å; E133-H1002 PolarHBondContact OE1-ND1 2.71Å; H184-H1002 AromaticContact CD2-CE1 3.9Å; H184-H1002 AromaticContact CE1-CE1 3.82Å; H184-H1002 AromaticContact NE2-CE1 3.43Å; H184-H1002 PolarHBondContact NE2-CE1 3.29Å; H184-H1002 AromaticContact NE2-NE2 3.6Å; H1000-H1002 AromaticContact CD2-CD2 3.31Å; H1000-H1002 PolarHBondContact CD2-CD2 3.04Å; H1000-H1002 AromaticContact CD2-NE2 3.54Å; H1000-H1002 AromaticContact NE2-CD2 3.44Å; H1000-H1002 PolarHBondContact NE2-CD2 2.82Å; H1000-H1002 AromaticContact NE2-NE2 3.82Å; H1002-H1004 PolarHBondContact O-N 3.15Å; H1002-H1004 VanDerWaalsContact O-N 3.08Å; H1002-W1040 HydrophobicContact CB-CB 4.43Å; H1002-W1040 HydrophobicContact CB-CE3 4.29Å; H1002-L1041 HydrophobicContact CB-CB 4.33Å; H1002-L1041 WeakPolarHBondContact CB-O 3.19Å; H1002-L1041 PolarHBondContact N-O 3.39Å; H1002-H1043 AromaticContact CD2-CD2 3.94Å; H1002-H1043 AromaticContact CD2-NE2 3.98Å; H1002-H1043 AromaticContact NE2-CD2 3.47Å; H1002-H1043 PolarHBondContact NE2-CD2 3.32Å; H1002-H1043 AromaticContact NE2-NE2 3.25Å; H1002-H1043 PolarHBondContact NE2-NE2 2.98Å; H1002-Y1058 PolarHBondContact O-OH 2.84Å
1003	G	94.4	Very high	94.1	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.01	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	-11.4	172.1	0	0	0	0	0	116.6	Y128	Y128-G1003 PolarHBondContact OH-N 2.95Å
1004	H	95.8	Very high	94.2	Very high	4 Å²	4	13.9 Å²	13.9	2%	0.019	8%	0.084	C	C	.	.			trans	-143.2	134	-177.2	-61.9	96.1	0	0	0	112.6	H167 W1001 H1002 M1032 E1035 H1036 W1040 Y1058	H167-H1004 WeakPolarHBondContact NE2-CA 3.25Å; W1001-H1004 WeakPolarHBondContact CB-O 3.18Å; H1002-H1004 PolarHBondContact O-N 3.15Å; H1002-H1004 VanDerWaalsContact O-N 3.08Å; H1004-M1032 HydrophobicContact CB-CG 4.21Å; H1004-M1032 HydrophobicContact CB-SD 3.69Å; H1004-E1035 PolarHBondContact CD2-N 3.26Å; H1004-E1035 PolarHBondContact NE2-N 3.18Å; H1004-H1036 PolarHBondContact NE2-N 2.85Å; H1004-W1040 AromaticContact CE1-CD1 4Å; H1004-W1040 AromaticContact CE1-CE2 3.98Å; H1004-W1040 AromaticContact CE1-NE1 3.58Å; H1004-Y1058 AromaticContact ND1-CE2 3.92Å; H1004-Y1058 AromaticContact ND1-CZ 3.82Å; H1004-Y1058 PolarHBondContact ND1-OH 2.95Å
1005	S	95.4	Very high	94.2	Very high	5 Å²	5	12.6 Å²	12.6	4%	0.035	8%	0.075	C	C	.	.			trans	-85.6	152.9	166.3	-64	0	0	0	0	112.9	H167 A1017	H167-S1005 PolarHBondContact CD2-OG 3.49Å; H167-S1005 PolarHBondContact NE2-N 3.3Å; S1005-A1017 CarbonylContact C-O 3.41Å; S1005-A1017 WeakPolarHBondContact CA-O 3.45Å; S1005-A1017 WeakPolarHBondContact CB-O 3.45Å
1006	V	96.1	Very high	94.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	163	174.8	-60.3	0	0	0	0	111.8	W1001 R1016 A1017 V1030 K1031 M1032	W1001-V1006 HydrophobicContact CD2-CG1 3.92Å; W1001-V1006 HydrophobicContact CE3-CG1 3.99Å; W1001-V1006 HydrophobicContact CE3-CG2 4.19Å; W1001-V1006 HydrophobicContact CG-CG1 4.4Å; W1001-V1006 HydrophobicContact CZ2-CG1 4.45Å; W1001-V1006 HydrophobicContact CZ3-CG1 4.32Å; W1001-V1006 HydrophobicContact CZ3-CG2 3.98Å; V1006-R1016 WeakPolarHBondContact O-CD 3.42Å; V1006-R1016 PolarHBondContact O-NH1 2.91Å; V1006-A1017 HydrophobicContact CG2-CB 4.47Å; V1006-A1017 WeakPolarHBondContact CG2-O 3.35Å; V1006-A1017 PolarHBondContact N-O 3.43Å; V1006-A1017 PolarHBondContact O-N 3.31Å; V1006-V1030 HydrophobicContact CB-CB 4.2Å; V1006-V1030 HydrophobicContact CB-CG2 4.07Å; V1006-V1030 HydrophobicContact CG1-CG2 4.16Å; V1006-V1030 HydrophobicContact CG2-CB 4.23Å; V1006-V1030 HydrophobicContact CG2-CG2 4.17Å; V1006-K1031 CarbonylContact C-O 3.54Å; V1006-K1031 WeakPolarHBondContact CA-O 3.43Å; V1006-K1031 WeakPolarHBondContact CB-O 3.42Å; V1006-M1032 HydrophobicContact CG1-CB 4.21Å; V1006-M1032 HydrophobicContact CG1-CG 4.38Å
1007	E	95.9	Very high	94.2	Very high	47 Å²	47	14.7 Å²	14.7	22%	0.22	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.6	172.9	-177.5	-175.5	106.9	0	0	109.5	P1014 H1015 R1016 V1030 K1031	E1007-P1014 HydrophobicContact CG-CB 3.52Å; E1007-P1014 WeakPolarHBondContact OE1-CB 3.15Å; E1007-H1015 WeakPolarHBondContact CA-O 3.45Å; E1007-R1016 IonicContact OE2-NH2 3.08Å; E1007-V1030 CarbonylContact O-C 3.59Å; E1007-V1030 WeakPolarHBondContact O-CA 3.45Å; E1007-K1031 HydrophobicContact CB-CB 4.46Å; E1007-K1031 PolarHBondContact N-O 2.88Å; E1007-K1031 PolarHBondContact O-N 3.48Å
1008	Y	94.9	Very high	94.1	Very high	33 Å²	33	14.9 Å²	14.9	13%	0.129	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	156.3	172	73.6	-87.4	0	0	0	110.7	L1010 P1014 H1015 A1017 Y1020	Y1008-L1010 HydrophobicContact CD2-CB 4.29Å; Y1008-L1010 HydrophobicContact CE2-CB 3.97Å; Y1008-L1010 HydrophobicContact CE2-CD2 4.38Å; Y1008-P1014 CarbonylContact O-C 3.54Å; Y1008-P1014 WeakPolarHBondContact O-CA 3.5Å; Y1008-H1015 HydrophobicContact CD1-CB 4.1Å; Y1008-H1015 HydrophobicContact CD2-CB 4.42Å; Y1008-H1015 HydrophobicContact CE1-CB 3.59Å; Y1008-H1015 HydrophobicContact CE2-CB 3.95Å; Y1008-H1015 HydrophobicContact CG-CB 4.48Å; Y1008-H1015 PolarHBondContact N-O 3.45Å; Y1008-H1015 PolarHBondContact O-N 2.73Å; Y1008-A1017 HydrophobicContact CD1-CB 4.12Å; Y1008-A1017 HydrophobicContact CE1-CB 3.89Å; Y1008-Y1020 HydrophobicContact CD1-CD2 4.33Å; Y1008-Y1020 HydrophobicContact CD1-CE2 4.33Å; Y1008-Y1020 HydrophobicContact CD2-CE2 4.15Å; Y1008-Y1020 HydrophobicContact CE2-CE2 4.38Å; Y1008-Y1020 HydrophobicContact CG-CD2 4.49Å; Y1008-Y1020 HydrophobicContact CG-CE2 4.13Å
1009	K	93.5	Very high	94	Very high	49 Å²	49	15.1 Å²	15.1	21%	0.213	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.2	177.9	-76.6	-171.3	176.4	-155.7	0	112.7	N673 E872 E874 G1013	N673-K1009 PolarHBondContact ND2-O 3.42Å; E872-K1009 WeakPolarHBondContact O-CD 3.46Å; E874-K1009 HydrophobicContact CG-CB 4.39Å; E874-K1009 HydrophobicContact CG-CD 4.44Å; E874-K1009 HydrophobicContact CG-CG 4.47Å; E874-K1009 VanDerWaalsContact OE1-CD 3.23Å; E874-K1009 WeakPolarHBondContact OE1-CD 3.31Å; E874-K1009 WeakPolarHBondContact OE1-CE 2.97Å; E874-K1009 WeakPolarHBondContact OE1-CG 3.32Å; K1009-G1013 WeakPolarHBondContact CA-O 3.43Å
1010	L	90.8	Very high	93.9	Very high	23 Å²	23	16.3 Å²	16.3	12%	0.12	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	146.3	173.9	-171	65.2	0	0	0	108.5	Y670 R671 N673 Y1008 G1012 G1013 H1015	Y670-L1010 HydrophobicContact CE1-CD1 4.42Å; R671-L1010 HydrophobicContact CB-CD1 3.87Å; R671-L1010 HydrophobicContact CB-CG 4.14Å; N673-L1010 HydrophobicContact CB-CD1 4.44Å; Y1008-L1010 HydrophobicContact CD2-CB 4.29Å; Y1008-L1010 HydrophobicContact CE2-CB 3.97Å; Y1008-L1010 HydrophobicContact CE2-CD2 4.38Å; L1010-G1012 PolarHBondContact O-N 3.38Å; L1010-G1013 PolarHBondContact N-O 3.18Å; L1010-G1013 VanDerWaalsContact N-O 3.16Å; L1010-G1013 PolarHBondContact O-N 2.8Å; L1010-H1015 PolarHBondContact O-NE2 2.76Å
1011	G	84.3	Confident	93.8	Very high	23 Å²	23	18.6 Å²	18.6	24%	0.237	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	6.8	171.2	0	0	0	0	0	116.6	R671 Q672	R671-G1011 VanDerWaalsContact O-CA 3.27Å; R671-G1011 WeakPolarHBondContact O-CA 3.33Å; R671-G1011 PolarHBondContact O-N 3.01Å; Q672-G1011 VanDerWaalsContact CD-O 3.32Å; Q672-G1011 PolarHBondContact NE2-O 3.24Å; Q672-G1011 PolarHBondContact OE1-O 2.65Å
1012	G	79.1	Confident	93.8	Very high	25 Å²	25	18.5 Å²	18.5	26%	0.258	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	118	-15.7	-179.4	0	0	0	0	0	115	L1010	L1010-G1012 PolarHBondContact O-N 3.38Å
1013	G	90.3	Very high	93.7	Very high	4 Å²	4	19.2 Å²	19.2	4%	0.041	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	178.4	-174.5	0	0	0	0	0	115	K1009 L1010	K1009-G1013 WeakPolarHBondContact CA-O 3.43Å; L1010-G1013 PolarHBondContact N-O 3.18Å; L1010-G1013 VanDerWaalsContact N-O 3.16Å; L1010-G1013 PolarHBondContact O-N 2.8Å
1014	P	94.2	Very high	93.9	Very high	34 Å²	34	19.2 Å²	19.2	22%	0.221	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	143	-176.3	32.5	-33.1	0	0	0	111.9	T170 E1007 Y1008	T170-P1014 WeakPolarHBondContact CB-O 3.48Å; T170-P1014 HydrophobicContact CG2-CB 4.3Å; T170-P1014 HydrophobicContact CG2-CG 4.4Å; T170-P1014 WeakPolarHBondContact CG2-O 3.2Å; T170-P1014 PolarHBondContact OG1-O 3.3Å; E1007-P1014 HydrophobicContact CG-CB 3.52Å; E1007-P1014 WeakPolarHBondContact OE1-CB 3.15Å; Y1008-P1014 CarbonylContact O-C 3.54Å; Y1008-P1014 WeakPolarHBondContact O-CA 3.5Å
1015	H	94.9	Very high	93.9	Very high	10 Å²	10	19 Å²	19	5%	0.046	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.2	173.7	-67.1	-72.9	0	0	0	109.9	D173 E1007 Y1008 L1010	D173-H1015 WeakPolarHBondContact OD1-CA 3.33Å; D173-H1015 IonicContact OD1-CE1 2.67Å; D173-H1015 IonicContact OD1-CG 3.79Å; D173-H1015 IonicContact OD1-ND1 2.8Å; D173-H1015 PolarHBondContact OD1-ND1 2.73Å; E1007-H1015 WeakPolarHBondContact CA-O 3.45Å; Y1008-H1015 HydrophobicContact CD1-CB 4.1Å; Y1008-H1015 HydrophobicContact CD2-CB 4.42Å; Y1008-H1015 HydrophobicContact CE1-CB 3.59Å; Y1008-H1015 HydrophobicContact CE2-CB 3.95Å; Y1008-H1015 HydrophobicContact CG-CB 4.48Å; Y1008-H1015 PolarHBondContact N-O 3.45Å; Y1008-H1015 PolarHBondContact O-N 2.73Å; L1010-H1015 PolarHBondContact O-NE2 2.76Å
1016	R	95.9	Very high	93.9	Very high	34 Å²	34	19.4 Å²	19.4	13%	0.128	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.1	-179.6	-176.9	66.3	59.4	-156	-2.3	111	S166 S168 T170 D173 M177 R179 V1006 E1007	S166-R1016 WeakPolarHBondContact O-CD 3.38Å; S166-R1016 PolarHBondContact O-NE 3.03Å; S166-R1016 PolarHBondContact O-NH1 2.46Å; S166-R1016 VanDerWaalsContact O-NH1 3.07Å; S166-R1016 PolarHBondContact O-NH2 2.04Å; S168-R1016 PolarHBondContact O-NE 3.47Å; T170-R1016 HydrophobicContact CG2-CB 4.07Å; D173-R1016 WeakPolarHBondContact OD2-CB 3.12Å; D173-R1016 PolarHBondContact OD2-N 2.64Å; M177-R1016 HydrophobicContact CE-CB 3.82Å; M177-R1016 HydrophobicContact CE-CG 3.74Å; M177-R1016 HydrophobicContact SD-CB 3.87Å; M177-R1016 HydrophobicContact SD-CG 4.44Å; R179-R1016 PolarHBondContact NH2-O 3.16Å; V1006-R1016 WeakPolarHBondContact O-CD 3.42Å; V1006-R1016 PolarHBondContact O-NH1 2.91Å; E1007-R1016 IonicContact OE2-NH2 3.08Å
1017	A	95.4	Very high	94	Very high	11 Å²	11	20.3 Å²	20.3	9%	0.091	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	165.9	174.7	0	0	0	0	0	111.3	S1005 V1006 Y1008 S1019	S1005-A1017 CarbonylContact C-O 3.41Å; S1005-A1017 WeakPolarHBondContact CA-O 3.45Å; S1005-A1017 WeakPolarHBondContact CB-O 3.45Å; V1006-A1017 HydrophobicContact CG2-CB 4.47Å; V1006-A1017 WeakPolarHBondContact CG2-O 3.35Å; V1006-A1017 PolarHBondContact N-O 3.43Å; V1006-A1017 PolarHBondContact O-N 3.31Å; Y1008-A1017 HydrophobicContact CD1-CB 4.12Å; Y1008-A1017 HydrophobicContact CE1-CB 3.89Å; A1017-S1019 WeakPolarHBondContact CB-O 3.42Å
1018	D	95	Very high	94	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.021	10%	0.104	C	C	.	.	S	Bend	trans	-133.7	-7.8	170.5	63.7	-32.8	0	0	0	112.3	H124 G125 R179 H1000 W1001	H124-D1018 VanDerWaalsContact C-OD2 3.32Å; H124-D1018 VanDerWaalsContact CA-OD2 3.27Å; H124-D1018 WeakPolarHBondContact CA-OD2 3.33Å; H124-D1018 WeakPolarHBondContact CB-OD2 3.46Å; H124-D1018 IonicContact CG-OD2 2.66Å; H124-D1018 IonicContact ND1-OD2 2.69Å; G125-D1018 PolarHBondContact N-OD2 2.9Å; R179-D1018 IonicContact CZ-OD1 2.59Å; R179-D1018 IonicContact NE-OD1 3.43Å; R179-D1018 PolarHBondContact NE-OD1 3.38Å; H1000-D1018 WeakPolarHBondContact CA-O 3.45Å; H1000-D1018 IonicContact CE1-OD2 3.24Å; H1000-D1018 PolarHBondContact ND1-O 2.88Å; W1001-D1018 PolarHBondContact N-O 3.2Å
1019	S	95.8	Very high	94	Very high	8 Å²	8	17.7 Å²	17.7	6%	0.056	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	150.7	160.9	59.4	0	0	0	0	110.5	A321 V999 A1017	A321-S1019 WeakPolarHBondContact O-CB 3.43Å; A321-S1019 PolarHBondContact O-OG 2.85Å; V999-S1019 CarbonylContact O-C 3.55Å; V999-S1019 WeakPolarHBondContact O-CA 3.4Å; A1017-S1019 WeakPolarHBondContact CB-O 3.42Å
1020	Y	96.9	Very high	94.2	Very high	24 Å²	24	15.4 Å²	15.4	9%	0.094	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	133.1	172.1	-165.9	-89.8	0	0	0	111.4	L987 T998 V999 Y1008 L1022 Q1028 V1030	L987-Y1020 HydrophobicContact CD1-CD1 3.92Å; L987-Y1020 HydrophobicContact CD1-CG 4.17Å; T998-Y1020 WeakPolarHBondContact CA-O 3.3Å; V999-Y1020 PolarHBondContact N-O 3.15Å; V999-Y1020 PolarHBondContact O-N 3.04Å; Y1008-Y1020 HydrophobicContact CD1-CD2 4.33Å; Y1008-Y1020 HydrophobicContact CD1-CE2 4.33Å; Y1008-Y1020 HydrophobicContact CD2-CE2 4.15Å; Y1008-Y1020 HydrophobicContact CE2-CE2 4.38Å; Y1008-Y1020 HydrophobicContact CG-CD2 4.49Å; Y1008-Y1020 HydrophobicContact CG-CE2 4.13Å; Y1020-L1022 HydrophobicContact CD1-CD2 3.96Å; Y1020-L1022 HydrophobicContact CD1-CG 4.49Å; Y1020-L1022 HydrophobicContact CE1-CD2 4.08Å; Y1020-Q1028 HydrophobicContact CD1-CB 4.2Å; Y1020-Q1028 HydrophobicContact CD1-CG 4.37Å; Y1020-Q1028 HydrophobicContact CE1-CB 3.43Å; Y1020-Q1028 VanDerWaalsContact CE1-CB 3.43Å; Y1020-Q1028 HydrophobicContact CE1-CG 3.64Å; Y1020-Q1028 HydrophobicContact CE2-CG 3.89Å; Y1020-Q1028 WeakPolarHBondContact OH-CG 3.48Å; Y1020-V1030 HydrophobicContact CD2-CG1 4.5Å
1021	E	96.1	Very high	94.4	Very high	50 Å²	50	15.9 Å²	15.9	23%	0.234	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133.1	-176.6	-48.2	82.9	179.7	0	0	112.2	F319 S322 H997 T998 F1023	F319-E1021 HydrophobicContact CB-CG 4.26Å; F319-E1021 HydrophobicContact CD2-CB 4.45Å; F319-E1021 HydrophobicContact CD2-CG 3.93Å; F319-E1021 HydrophobicContact CG-CG 4.39Å; S322-E1021 WeakPolarHBondContact CB-OE1 3.4Å; H997-E1021 CarbonylContact O-C 3.06Å; H997-E1021 WeakPolarHBondContact O-CA 3.17Å; T998-E1021 HydrophobicContact CG2-CB 4.31Å; T998-E1021 HydrophobicContact CG2-CG 3.86Å; E1021-F1023 HydrophobicContact CB-CE2 3.93Å; E1021-F1023 HydrophobicContact CB-CZ 3.89Å
1022	L	97	Very high	94.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.7	175	-58.2	173.5	0	0	0	109	F923 L987 H997 V999 Y1020	F923-L1022 HydrophobicContact CB-CD1 4.35Å; F923-L1022 HydrophobicContact CD2-CD1 3.75Å; F923-L1022 HydrophobicContact CE2-CD1 4.46Å; F923-L1022 HydrophobicContact CG-CD1 4.24Å; L987-L1022 HydrophobicContact CB-CD1 3.98Å; L987-L1022 HydrophobicContact CB-CD2 3.81Å; L987-L1022 HydrophobicContact CB-CG 4.46Å; H997-L1022 HydrophobicContact CB-CB 4.3Å; H997-L1022 PolarHBondContact N-O 3.34Å; H997-L1022 PolarHBondContact O-N 2.97Å; V999-L1022 HydrophobicContact CG2-CD1 3.56Å; V999-L1022 HydrophobicContact CG2-CG 4.18Å; Y1020-L1022 HydrophobicContact CD1-CD2 3.96Å; Y1020-L1022 HydrophobicContact CD1-CG 4.49Å; Y1020-L1022 HydrophobicContact CE1-CD2 4.08Å
1023	F	96.8	Very high	95.5	Very high	15 Å²	15	22.2 Å²	22.2	7%	0.066	10%	0.101	C	C	.	.			trans	-130.8	172	176.2	-52.4	-74.8	0	0	0	108.1	F319 I658 F681 G989 I996 E1021 A1025 I1026	F319-F1023 AromaticContact CD1-CE1 3.65Å; F319-F1023 HydrophobicContact CD1-CE1 3.65Å; F319-F1023 AromaticContact CD1-CZ 3.71Å; F319-F1023 HydrophobicContact CD1-CZ 3.71Å; F319-F1023 AromaticContact CD2-CZ 3.76Å; F319-F1023 HydrophobicContact CD2-CZ 3.76Å; F319-F1023 AromaticContact CE1-CE1 3.45Å; F319-F1023 HydrophobicContact CE1-CE1 3.45Å; F319-F1023 VanDerWaalsContact CE1-CE1 3.45Å; F319-F1023 AromaticContact CE1-CZ 3.44Å; F319-F1023 HydrophobicContact CE1-CZ 3.44Å; F319-F1023 VanDerWaalsContact CE1-CZ 3.44Å; F319-F1023 HydrophobicContact CE2-CE1 4.38Å; F319-F1023 HydrophobicContact CE2-CE2 4.29Å; F319-F1023 AromaticContact CE2-CZ 3.52Å; F319-F1023 HydrophobicContact CE2-CZ 3.52Å; F319-F1023 HydrophobicContact CG-CE1 4.19Å; F319-F1023 AromaticContact CG-CZ 3.86Å; F319-F1023 HydrophobicContact CG-CZ 3.86Å; F319-F1023 AromaticContact CZ-CE1 3.87Å; F319-F1023 HydrophobicContact CZ-CE1 3.87Å; F319-F1023 HydrophobicContact CZ-CE2 4.27Å; F319-F1023 AromaticContact CZ-CZ 3.37Å; F319-F1023 HydrophobicContact CZ-CZ 3.37Å; I658-F1023 HydrophobicContact CG2-CB 4.16Å; I658-F1023 HydrophobicContact CG2-CD1 3.76Å; I658-F1023 HydrophobicContact CG2-CG 4.27Å; F681-F1023 HydrophobicContact CE1-CD1 4.15Å; F681-F1023 HydrophobicContact CE1-CD2 4.49Å; F681-F1023 AromaticContact CE1-CE1 3.97Å; F681-F1023 HydrophobicContact CE1-CE1 3.97Å; F681-F1023 HydrophobicContact CE1-CE2 4.34Å; F681-F1023 HydrophobicContact CE1-CG 4.42Å; F681-F1023 HydrophobicContact CE1-CZ 4.08Å; F681-F1023 HydrophobicContact CZ-CD1 4.33Å; F681-F1023 AromaticContact CZ-CD2 3.94Å; F681-F1023 HydrophobicContact CZ-CD2 3.94Å; F681-F1023 HydrophobicContact CZ-CE1 4.01Å; F681-F1023 AromaticContact CZ-CE2 3.6Å; F681-F1023 HydrophobicContact CZ-CE2 3.6Å; F681-F1023 HydrophobicContact CZ-CG 4.31Å; F681-F1023 AromaticContact CZ-CZ 3.65Å; F681-F1023 HydrophobicContact CZ-CZ 3.65Å; G989-F1023 CarbonylContact C-O 3.55Å; I996-F1023 HydrophobicContact CB-CD1 4.35Å; I996-F1023 HydrophobicContact CB-CE1 4.24Å; I996-F1023 HydrophobicContact CG2-CD1 3.9Å; I996-F1023 HydrophobicContact CG2-CE1 3.98Å; E1021-F1023 HydrophobicContact CB-CE2 3.93Å; E1021-F1023 HydrophobicContact CB-CZ 3.89Å; F1023-A1025 PolarHBondContact O-N 2.88Å; F1023-I1026 HydrophobicContact CB-CB 4.46Å; F1023-I1026 HydrophobicContact CB-CG1 3.82Å; F1023-I1026 HydrophobicContact CD2-CG1 4.17Å; F1023-I1026 WeakPolarHBondContact O-CB 3.02Å; F1023-I1026 PolarHBondContact O-N 3.26Å
1024	P	97.1	Very high	95.7	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	125.8	176.8	-30.5	37.7	0	0	0	112.6	S660 T704 N992 D995 I1026	S660-P1024 WeakPolarHBondContact CB-O 3.43Å; S660-P1024 PolarHBondContact OG-O 3.43Å; T704-P1024 HydrophobicContact CG2-CG 4.36Å; N992-P1024 VanDerWaalsContact O-CG 3.27Å; N992-P1024 WeakPolarHBondContact O-CG 3.32Å; D995-P1024 HydrophobicContact CB-CG 4.3Å; P1024-I1026 VanDerWaalsContact C-N 3.25Å; P1024-I1026 PolarHBondContact O-N 3.29Å
1025	A	96.2	Very high	95.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.008	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	25.7	-176.5	0	0	0	0	0	116	T677 A703 G989 M990 F1023 F1027	T677-A1025 VanDerWaalsContact CB-O 3.28Å; T677-A1025 WeakPolarHBondContact CB-O 3.46Å; T677-A1025 HydrophobicContact CG2-CB 3.95Å; A703-A1025 HydrophobicContact CB-CB 3.48Å; A703-A1025 VanDerWaalsContact CB-CB 3.48Å; G989-A1025 VanDerWaalsContact O-CA 3.32Å; G989-A1025 WeakPolarHBondContact O-CA 3.1Å; G989-A1025 PolarHBondContact O-N 3.27Å; M990-A1025 HydrophobicContact SD-CB 3.89Å; F1023-A1025 PolarHBondContact O-N 2.88Å; A1025-F1027 HydrophobicContact CB-CE2 4.49Å; A1025-F1027 HydrophobicContact CB-CZ 4.09Å; A1025-F1027 WeakPolarHBondContact O-CE2 3.47Å
1026	I	96.8	Very high	95.1	Very high	12 Å²	12	25.6 Å²	25.6	6%	0.062	11%	0.113	C	C	.	.			trans	-95.3	127.2	167.4	-61.2	-57.8	0	0	0	109.9	T677 S679 G989 F1023 P1024	T677-I1026 HydrophobicContact CG2-CD1 4.1Å; S679-I1026 WeakPolarHBondContact OG-CD1 3.38Å; S679-I1026 WeakPolarHBondContact OG-CG1 3.21Å; G989-I1026 PolarHBondContact N-O 2.88Å; F1023-I1026 HydrophobicContact CB-CB 4.46Å; F1023-I1026 HydrophobicContact CB-CG1 3.82Å; F1023-I1026 HydrophobicContact CD2-CG1 4.17Å; F1023-I1026 WeakPolarHBondContact O-CB 3.02Å; F1023-I1026 PolarHBondContact O-N 3.26Å; P1024-I1026 VanDerWaalsContact C-N 3.25Å; P1024-I1026 PolarHBondContact O-N 3.29Å
1027	F	96.4	Very high	95.1	Very high	20 Å²	20	26.6 Å²	26.6	9%	0.088	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.4	-177.9	-43.1	-60.5	0	0	0	110.2	H839 V878 A880 L987 M988 M990 A1025	H839-F1027 HydrophobicContact CB-CE2 3.92Å; H839-F1027 AromaticContact CD2-CE2 3.78Å; H839-F1027 AromaticContact CG-CE2 3.66Å; H839-F1027 AromaticContact ND1-CZ 3.93Å; V878-F1027 HydrophobicContact CG1-CB 4.23Å; V878-F1027 VanDerWaalsContact O-CB 3.3Å; V878-F1027 WeakPolarHBondContact O-CB 3.3Å; A880-F1027 HydrophobicContact CB-CD1 4.49Å; A880-F1027 HydrophobicContact CB-CE1 3.56Å; A880-F1027 HydrophobicContact CB-CE2 4.48Å; A880-F1027 HydrophobicContact CB-CZ 3.55Å; L987-F1027 VanDerWaalsContact O-CA 3.32Å; L987-F1027 WeakPolarHBondContact O-CA 3.34Å; M988-F1027 HydrophobicContact CB-CD1 3.78Å; M988-F1027 HydrophobicContact CB-CE1 4.16Å; M988-F1027 HydrophobicContact CG-CD1 3.73Å; M988-F1027 HydrophobicContact CG-CE1 4.36Å; M990-F1027 HydrophobicContact SD-CE1 4.08Å; M990-F1027 HydrophobicContact SD-CZ 4.03Å; A1025-F1027 HydrophobicContact CB-CE2 4.49Å; A1025-F1027 HydrophobicContact CB-CZ 4.09Å; A1025-F1027 WeakPolarHBondContact O-CE2 3.47Å
1028	Q	95.9	Very high	95.1	Very high	17 Å²	17	27 Å²	27	8%	0.079	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	141.6	178.9	-173.8	68.3	-0.2	0	0	111.9	L987 Y1020 V1030	L987-Q1028 WeakPolarHBondContact CB-O 3.44Å; L987-Q1028 PolarHBondContact N-O 3.03Å; L987-Q1028 PolarHBondContact O-N 3.11Å; Y1020-Q1028 HydrophobicContact CD1-CB 4.2Å; Y1020-Q1028 HydrophobicContact CD1-CG 4.37Å; Y1020-Q1028 HydrophobicContact CE1-CB 3.43Å; Y1020-Q1028 VanDerWaalsContact CE1-CB 3.43Å; Y1020-Q1028 HydrophobicContact CE1-CG 3.64Å; Y1020-Q1028 HydrophobicContact CE2-CG 3.89Å; Y1020-Q1028 WeakPolarHBondContact OH-CG 3.48Å; Q1028-V1030 HydrophobicContact CG-CG1 3.9Å
1029	T	96.2	Very high	95.2	Very high	8 Å²	8	28.7 Å²	28.7	5%	0.049	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.3	166.5	-54	0	0	0	0	109.2	E874 C876 Y984 W985 Y986	E874-T1029 HydrophobicContact CB-CG2 4.35Å; E874-T1029 HydrophobicContact CG-CG2 4.39Å; C876-T1029 PolarHBondContact O-OG1 2.94Å; Y984-T1029 HydrophobicContact CD1-CG2 3.54Å; Y984-T1029 HydrophobicContact CE1-CG2 4.18Å; Y984-T1029 HydrophobicContact CG-CG2 4.37Å; W985-T1029 WeakPolarHBondContact O-CA 3.32Å; Y986-T1029 HydrophobicContact CD1-CG2 3.86Å; Y986-T1029 HydrophobicContact CE1-CG2 3.67Å
1030	V	96.6	Very high	95.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	157.4	171.1	-50	0	0	0	0	110.7	Y984 W985 L987 W1001 V1006 E1007 Y1020 Q1028	Y984-V1030 WeakPolarHBondContact CA-O 3.22Å; W985-V1030 HydrophobicContact CB-CG2 3.65Å; W985-V1030 HydrophobicContact CG-CG2 4.29Å; W985-V1030 PolarHBondContact N-O 2.83Å; W985-V1030 PolarHBondContact O-N 3.35Å; L987-V1030 HydrophobicContact CD1-CG1 3.96Å; L987-V1030 HydrophobicContact CD1-CG2 4.1Å; L987-V1030 HydrophobicContact CG-CG2 4.46Å; W1001-V1030 HydrophobicContact CH2-CG2 4.08Å; W1001-V1030 HydrophobicContact CZ2-CG2 4.14Å; V1006-V1030 HydrophobicContact CB-CB 4.2Å; V1006-V1030 HydrophobicContact CB-CG2 4.07Å; V1006-V1030 HydrophobicContact CG1-CG2 4.16Å; V1006-V1030 HydrophobicContact CG2-CB 4.23Å; V1006-V1030 HydrophobicContact CG2-CG2 4.17Å; E1007-V1030 CarbonylContact O-C 3.59Å; E1007-V1030 WeakPolarHBondContact O-CA 3.45Å; Y1020-V1030 HydrophobicContact CD2-CG1 4.5Å; Q1028-V1030 HydrophobicContact CG-CG1 3.9Å
1031	K	95.3	Very high	95.4	Very high	34 Å²	34	27.2 Å²	27.2	15%	0.148	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.3	-179.3	-72.9	176.8	-175.6	145	0	111.4	E874 V983 Y984 V1006 E1007	E874-K1031 VanDerWaalsContact OE1-CE 3.28Å; E874-K1031 WeakPolarHBondContact OE1-CE 3.36Å; E874-K1031 IonicContact OE1-NZ 3.45Å; E874-K1031 PolarHBondContact OE1-NZ 3.13Å; E874-K1031 WeakPolarHBondContact OE2-CE 3.07Å; E874-K1031 IonicContact OE2-NZ 3.2Å; E874-K1031 PolarHBondContact OE2-NZ 2.75Å; V983-K1031 VanDerWaalsContact O-CA 3.31Å; V983-K1031 WeakPolarHBondContact O-CA 3.48Å; Y984-K1031 HydrophobicContact CD1-CG 3.7Å; Y984-K1031 HydrophobicContact CE1-CD 4.04Å; Y984-K1031 HydrophobicContact CE1-CG 3.53Å; V1006-K1031 CarbonylContact C-O 3.54Å; V1006-K1031 WeakPolarHBondContact CA-O 3.43Å; V1006-K1031 WeakPolarHBondContact CB-O 3.42Å; E1007-K1031 HydrophobicContact CB-CB 4.46Å; E1007-K1031 PolarHBondContact N-O 2.88Å; E1007-K1031 PolarHBondContact O-N 3.48Å
1032	M	94.8	Very high	95.5	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.015	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	151.1	171.6	-165.4	174	72.8	0	0	110.8	M977 V983 W985 H1004 V1006 P1034 Y1058	M977-M1032 HydrophobicContact CE-CE 3.98Å; M977-M1032 HydrophobicContact SD-CE 3.16Å; M977-M1032 WeakPolarHBondContact SD-CE 3.39Å; V983-M1032 HydrophobicContact CB-CB 4.3Å; V983-M1032 PolarHBondContact N-O 2.94Å; V983-M1032 PolarHBondContact O-N 3.16Å; W985-M1032 HydrophobicContact CZ2-CE 3.78Å; W985-M1032 HydrophobicContact CZ2-SD 4.46Å; H1004-M1032 HydrophobicContact CB-CG 4.21Å; H1004-M1032 HydrophobicContact CB-SD 3.69Å; V1006-M1032 HydrophobicContact CG1-CB 4.21Å; V1006-M1032 HydrophobicContact CG1-CG 4.38Å; M1032-P1034 HydrophobicContact CE-CB 4.27Å; M1032-Y1058 HydrophobicContact CE-CD2 4.49Å; M1032-Y1058 HydrophobicContact CE-CE2 4.03Å
1033	R	93	Very high	95.5	Very high	177 Å²	177	24.9 Å²	24.9	67%	0.668	12%	0.121	S	C	*	.			trans	-126.4	101	163.3	-74.1	-169.5	175.4	171.7	2.5	108.2
1034	P	92.8	Very high	95.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	12%	0.118	C	C	.	.			trans	-68.6	139.4	-177.9	28.8	-34.9	0	0	0	110.9	M977 E978 G980 D981 M1032 V1060	M977-P1034 HydrophobicContact CG-CB 4.49Å; M977-P1034 HydrophobicContact CG-CG 4.06Å; M977-P1034 HydrophobicContact SD-CB 4.27Å; M977-P1034 HydrophobicContact SD-CG 4.01Å; E978-P1034 VanDerWaalsContact O-CG 3.3Å; E978-P1034 WeakPolarHBondContact O-CG 3.31Å; G980-P1034 PolarHBondContact N-O 2.82Å; D981-P1034 HydrophobicContact CB-CG 4.47Å; D981-P1034 WeakPolarHBondContact O-CD 3.46Å; M1032-P1034 HydrophobicContact CE-CB 4.27Å; P1034-V1060 HydrophobicContact CB-CB 4.42Å; P1034-V1060 HydrophobicContact CB-CG1 3.74Å; P1034-V1060 HydrophobicContact CB-CG2 3.73Å; P1034-V1060 HydrophobicContact CG-CG1 4.32Å
1035	E	88.2	Confident	95.5	Very high	69 Å²	69	24.4 Å²	24.4	32%	0.322	12%	0.119	S	C	.	.			trans	-115.3	-37.2	-176.4	-68.6	-172.1	176.2	0	0	112.8	N127 S166 V979 H1004	N127-E1035 PolarHBondContact ND2-OE2 3.44Å; S166-E1035 WeakPolarHBondContact CB-OE1 3.46Å; S166-E1035 VanDerWaalsContact OG-CD 3.25Å; S166-E1035 PolarHBondContact OG-OE1 2.99Å; V979-E1035 WeakPolarHBondContact CG1-O 3.45Å; H1004-E1035 PolarHBondContact CD2-N 3.26Å; H1004-E1035 PolarHBondContact NE2-N 3.18Å
1036	H	89.3	Confident	95.6	Very high	50 Å²	50	24.4 Å²	24.4	23%	0.231	12%	0.119	C	C	.	.	S	Bend	trans	-112.4	134.2	-176.8	-66.6	-78.6	0	0	0	112.7	N127 H1004 W1040 V1060	N127-H1036 VanDerWaalsContact CG-NE2 3.33Å; N127-H1036 PolarHBondContact ND2-NE2 2.98Å; N127-H1036 PolarHBondContact OD1-CD2 2.86Å; N127-H1036 PolarHBondContact OD1-NE2 2.89Å; N127-H1036 VanDerWaalsContact OD1-NE2 3.12Å; H1004-H1036 PolarHBondContact NE2-N 2.85Å; H1036-W1040 HydrophobicContact CB-CZ2 3.93Å; H1036-W1040 PolarHBondContact O-NE1 2.9Å; H1036-V1060 WeakPolarHBondContact O-CB 3.45Å; H1036-V1060 WeakPolarHBondContact O-CG1 3.49Å
1037	P	94.8	Very high	95.6	Very high	55 Å²	55	24.6 Å²	24.6	36%	0.357	12%	0.121	S	C	.	.			trans	-69.9	146.6	172.6	32.3	-34.9	0	0	0	110.6	V1060 E1062	P1037-V1060 CarbonylContact C-O 3.51Å; P1037-V1060 WeakPolarHBondContact CA-O 3.47Å; P1037-E1062 HydrophobicContact CB-CG 3.95Å; P1037-E1062 HydrophobicContact CG-CG 3.87Å
1038	G	95.5	Very high	95.5	Very high	19 Å²	19	26 Å²	26	20%	0.196	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.3	170.7	-178.9	0	0	0	0	0	111.9	T1059 V1060	G1038-T1059 WeakPolarHBondContact O-CA 3.28Å; G1038-V1060 PolarHBondContact N-O 2.91Å; G1038-V1060 PolarHBondContact O-N 3.29Å
1039	T	97.4	Very high	95.6	Very high	40 Å²	40	25.2 Å²	25.2	25%	0.245	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.1	169.3	-53.6	0	0	0	0	108.2	Y137 M1057 Y1058 T1059	Y137-T1039 PolarHBondContact OH-O 2.8Å; T1039-M1057 HydrophobicContact CG2-CB 4.01Å; T1039-M1057 HydrophobicContact CG2-CE 3.35Å; T1039-Y1058 WeakPolarHBondContact CA-O 3.28Å; T1039-T1059 PolarHBondContact OG1-OG1 2.88Å
1040	W	98.1	Very high	95.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	144.9	-168.2	-59.6	103	0	0	0	110.2	Y128 K130 E133 H1002 H1004 H1036 M1057 Y1058	Y128-W1040 HydrophobicContact CD2-CH2 4.22Å; Y128-W1040 AromaticContact CD2-CZ3 3.88Å; Y128-W1040 HydrophobicContact CD2-CZ3 3.88Å; Y128-W1040 HydrophobicContact CE2-CE3 4.42Å; Y128-W1040 HydrophobicContact CE2-CH2 4.42Å; Y128-W1040 AromaticContact CE2-CZ3 3.68Å; Y128-W1040 HydrophobicContact CE2-CZ3 3.68Å; Y128-W1040 WeakPolarHBondContact O-CH2 3.4Å; K130-W1040 HydrophobicContact CD-CD2 4.3Å; K130-W1040 HydrophobicContact CD-CE3 3.82Å; K130-W1040 HydrophobicContact CD-CH2 3.88Å; K130-W1040 HydrophobicContact CD-CZ2 4.32Å; K130-W1040 HydrophobicContact CD-CZ3 3.59Å; K130-W1040 HydrophobicContact CG-CH2 4Å; K130-W1040 HydrophobicContact CG-CZ2 4.27Å; K130-W1040 HydrophobicContact CG-CZ3 4.24Å; E133-W1040 WeakPolarHBondContact OE2-CZ3 3.23Å; H1002-W1040 HydrophobicContact CB-CB 4.43Å; H1002-W1040 HydrophobicContact CB-CE3 4.29Å; H1004-W1040 AromaticContact CE1-CD1 4Å; H1004-W1040 AromaticContact CE1-CE2 3.98Å; H1004-W1040 AromaticContact CE1-NE1 3.58Å; H1036-W1040 HydrophobicContact CB-CZ2 3.93Å; H1036-W1040 PolarHBondContact O-NE1 2.9Å; W1040-M1057 WeakPolarHBondContact O-CA 3.43Å; W1040-Y1058 HydrophobicContact CB-CD1 3.84Å; W1040-Y1058 HydrophobicContact CB-CD2 4.38Å; W1040-Y1058 HydrophobicContact CB-CE1 3.3Å; W1040-Y1058 HydrophobicContact CB-CE2 3.91Å; W1040-Y1058 HydrophobicContact CB-CG 4.36Å; W1040-Y1058 AromaticContact CD1-CE2 3.74Å; W1040-Y1058 AromaticContact CD1-CZ 3.92Å; W1040-Y1058 HydrophobicContact CG-CE1 4.27Å; W1040-Y1058 HydrophobicContact CG-CE2 4.1Å; W1040-Y1058 AromaticContact CG-CZ 3.81Å; W1040-Y1058 PolarHBondContact N-O 2.96Å; W1040-Y1058 PolarHBondContact O-N 2.55Å
1041	L	98.2	Very high	95.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	142.4	176.5	-166.3	67	0	0	0	110.3	Y137 W754 H1002 H1043 E1055 M1057	Y137-L1041 HydrophobicContact CD1-CB 4.41Å; Y137-L1041 HydrophobicContact CD1-CD2 4.31Å; Y137-L1041 HydrophobicContact CD2-CB 4.33Å; Y137-L1041 HydrophobicContact CD2-CD1 4.28Å; Y137-L1041 HydrophobicContact CE1-CB 4.05Å; Y137-L1041 HydrophobicContact CE2-CB 3.94Å; Y137-L1041 HydrophobicContact CG-CD1 4.45Å; Y137-L1041 HydrophobicContact CG-CD2 4.5Å; Y137-L1041 PolarHBondContact OH-N 2.95Å; W754-L1041 HydrophobicContact CZ2-CD1 4.18Å; H1002-L1041 HydrophobicContact CB-CB 4.33Å; H1002-L1041 WeakPolarHBondContact CB-O 3.19Å; H1002-L1041 PolarHBondContact N-O 3.39Å; L1041-H1043 HydrophobicContact CG-CB 4.47Å; L1041-E1055 HydrophobicContact CD1-CB 4.4Å; L1041-M1057 HydrophobicContact CB-SD 4.38Å; L1041-M1057 HydrophobicContact CD1-SD 3.55Å; L1041-M1057 VanDerWaalsContact CD1-SD 3.55Å
1042	L	98.3	Very high	95.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	116.3	171	170.8	69.1	0	0	0	106.9	L921 L975 W985 V999 H1000 W1001 A1056 Y1058	L921-L1042 HydrophobicContact CD1-CD2 3.67Å; L975-L1042 HydrophobicContact CD1-CD2 3.96Å; W985-L1042 HydrophobicContact CZ3-CD2 4.18Å; V999-L1042 HydrophobicContact CG1-CD1 3.67Å; H1000-L1042 WeakPolarHBondContact O-CA 3.22Å; H1000-L1042 WeakPolarHBondContact O-CD1 3.44Å; W1001-L1042 HydrophobicContact CD2-CD1 4.09Å; W1001-L1042 HydrophobicContact CG-CD1 4Å; W1001-L1042 HydrophobicContact CZ2-CD1 4.4Å; L1042-A1056 HydrophobicContact CD2-CB 4.44Å; L1042-A1056 PolarHBondContact N-O 3.23Å; L1042-A1056 PolarHBondContact O-N 2.81Å; L1042-A1056 VanDerWaalsContact O-O 3.06Å; L1042-Y1058 HydrophobicContact CB-CD1 4.13Å
1043	H	98	Very high	95.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	164.6	-175.5	70.7	96.4	0	0	0	112.6	H184 H1000 H1002 L1041 H1045 E1055	H184-H1043 AromaticContact NE2-NE2 3.96Å; H1000-H1043 AromaticContact CD2-NE2 3.56Å; H1000-H1043 PolarHBondContact N-O 2.85Å; H1000-H1043 PolarHBondContact O-N 2.8Å; H1002-H1043 AromaticContact CD2-CD2 3.94Å; H1002-H1043 AromaticContact CD2-NE2 3.98Å; H1002-H1043 AromaticContact NE2-CD2 3.47Å; H1002-H1043 PolarHBondContact NE2-CD2 3.32Å; H1002-H1043 AromaticContact NE2-NE2 3.25Å; H1002-H1043 PolarHBondContact NE2-NE2 2.98Å; L1041-H1043 HydrophobicContact CG-CB 4.47Å; H1043-H1045 AromaticContact CE1-CD2 3.55Å; H1043-E1055 HydrophobicContact CB-CB 4.34Å; H1043-E1055 HydrophobicContact CB-CG 3.88Å
1044	C	97.8	Very high	95.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.8	163.4	179.5	0	0	0	0	109.1	F923 T998 V1046 H1049 I1050 M1054	F923-C1044 HydrophobicContact CD1-CB 4.38Å; F923-C1044 HydrophobicContact CE1-CB 4.44Å; T998-C1044 CarbonylContact O-C 3.46Å; T998-C1044 WeakPolarHBondContact O-CA 3.44Å; C1044-V1046 VanDerWaalsContact C-N 3.32Å; C1044-H1049 HydrophobicContact CB-CB 4.04Å; C1044-H1049 PolarHBondContact SG-ND1 3.47Å; C1044-I1050 WeakPolarHBondContact O-CG1 3.37Å; C1044-M1054 HydrophobicContact CB-CB 4.22Å; C1044-M1054 HydrophobicContact CB-CG 3.94Å; C1044-M1054 HydrophobicContact CB-SD 3.45Å; C1044-M1054 WeakPolarHBondContact CB-SD 3.42Å; C1044-M1054 PolarHBondContact N-O 2.87Å
1045	H	96.4	Very high	96	Very high	6 Å²	6	17.2 Å²	17.2	3%	0.028	10%	0.101	C	C	.	.			trans	-89	4.9	-178.5	-146.6	-74.5	0	0	0	114.1	H124 H182 A321 T998 H1043	H124-H1045 AromaticContact CE1-CD2 3.92Å; H124-H1045 AromaticContact CE1-NE2 3.8Å; H124-H1045 AromaticContact NE2-NE2 3.83Å; H182-H1045 AromaticContact CE1-NE2 3.81Å; H182-H1045 AromaticContact NE2-CE1 3.78Å; H182-H1045 AromaticContact NE2-NE2 3.26Å; H182-H1045 PolarHBondContact NE2-NE2 3.26Å; A321-H1045 HydrophobicContact CB-CB 3.36Å; T998-H1045 PolarHBondContact O-N 3.36Å; T998-H1045 VanDerWaalsContact OG1-CB 3.32Å; T998-H1045 WeakPolarHBondContact OG1-CB 3.34Å; T998-H1045 PolarHBondContact OG1-N 3.1Å; H1043-H1045 AromaticContact CE1-CD2 3.55Å
1046	V	97.8	Very high	96.4	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-74.5	128.3	173.6	-179.2	0	0	0	0	109.4	E293 P320 I996 C1044 D1048 H1049 I1050	E293-V1046 HydrophobicContact CG-CG1 3.85Å; P320-V1046 HydrophobicContact CB-CG2 4.02Å; P320-V1046 HydrophobicContact CG-CG2 3.99Å; I996-V1046 HydrophobicContact CG1-CG2 4.01Å; I996-V1046 WeakPolarHBondContact O-CG2 3.5Å; C1044-V1046 VanDerWaalsContact C-N 3.32Å; V1046-D1048 PolarHBondContact O-N 3.32Å; V1046-H1049 HydrophobicContact CB-CB 4.05Å; V1046-H1049 WeakPolarHBondContact CB-ND1 3.48Å; V1046-H1049 PolarHBondContact O-N 3.28Å; V1046-H1049 VanDerWaalsContact O-N 3.16Å; V1046-I1050 WeakPolarHBondContact O-CG1 3.31Å; V1046-I1050 PolarHBondContact O-N 3.45Å
1047	T	96	Very high	96.8	Very high	17 Å²	17	12.6 Å²	12.6	10%	0.104	8%	0.079	C	C	.	.	H	α-helix	trans	-53.3	-47.6	-171	-73.1	0	0	0	0	114.1	P188 L230 G291 S1051	P188-T1047 HydrophobicContact CB-CG2 3.66Å; P188-T1047 HydrophobicContact CG-CG2 4.06Å; L230-T1047 HydrophobicContact CD1-CG2 3.59Å; G291-T1047 WeakPolarHBondContact O-CB 3.2Å; G291-T1047 PolarHBondContact O-N 3.05Å; G291-T1047 VanDerWaalsContact O-N 3.16Å; G291-T1047 PolarHBondContact O-OG1 3.11Å; T1047-S1051 PolarHBondContact O-N 2.86Å; T1047-S1051 PolarHBondContact O-OG 2.8Å
1048	D	95.5	Very high	96.9	Very high	49 Å²	49	10 Å²	10	26%	0.262	6%	0.062	S	C	.	.	H	α-helix	trans	-65.2	-47	179.3	-164.6	78.5	0	0	0	110.9	N292 H962 V1046 I1050 S1051 A1052	N292-D1048 VanDerWaalsContact OD1-CB 3.27Å; N292-D1048 WeakPolarHBondContact OD1-CB 3.49Å; N292-D1048 PolarHBondContact OD1-N 3.21Å; H962-D1048 IonicContact CE1-OD2 2.68Å; H962-D1048 IonicContact NE2-OD2 2.89Å; V1046-D1048 PolarHBondContact O-N 3.32Å; D1048-I1050 VanDerWaalsContact C-N 3.33Å; D1048-I1050 PolarHBondContact O-N 2.8Å; D1048-S1051 CarbonylContact O-C 3.6Å; D1048-S1051 WeakPolarHBondContact O-CA 3.49Å; D1048-S1051 WeakPolarHBondContact O-CB 3.27Å; D1048-S1051 PolarHBondContact O-N 3.14Å; D1048-A1052 WeakPolarHBondContact O-CB 3.07Å; D1048-A1052 PolarHBondContact O-N 2.9Å
1049	H	97.6	Very high	97	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.9	-39.6	179.7	-58.6	170.2	0	0	0	113.2	E293 H962 V994 I996 H997 C1044 V1046 G1053 M1054	E293-H1049 IonicContact OE1-CD2 3.52Å; E293-H1049 IonicContact OE1-NE2 2.84Å; E293-H1049 PolarHBondContact OE1-NE2 2.83Å; H962-H1049 AromaticContact CD2-CD2 3.33Å; H962-H1049 PolarHBondContact CD2-CD2 3.08Å; H962-H1049 AromaticContact CD2-NE2 3.94Å; H962-H1049 AromaticContact NE2-CD2 3.88Å; V994-H1049 PolarHBondContact O-CE1 3.18Å; V994-H1049 PolarHBondContact O-NE2 2.89Å; I996-H1049 PolarHBondContact O-CE1 2.76Å; I996-H1049 PolarHBondContact O-ND1 2.66Å; H997-H1049 AromaticContact CE1-CE1 3.71Å; H997-H1049 AromaticContact CE1-ND1 3.93Å; H997-H1049 AromaticContact ND1-CE1 3.44Å; H997-H1049 PolarHBondContact ND1-CE1 3.12Å; H997-H1049 AromaticContact ND1-ND1 3.32Å; H997-H1049 PolarHBondContact ND1-ND1 3.29Å; C1044-H1049 HydrophobicContact CB-CB 4.04Å; C1044-H1049 PolarHBondContact SG-ND1 3.47Å; V1046-H1049 HydrophobicContact CB-CB 4.05Å; V1046-H1049 WeakPolarHBondContact CB-ND1 3.48Å; V1046-H1049 PolarHBondContact O-N 3.28Å; V1046-H1049 VanDerWaalsContact O-N 3.16Å; H1049-G1053 PolarHBondContact O-N 2.56Å; H1049-M1054 HydrophobicContact CB-CB 4.08Å; H1049-M1054 HydrophobicContact CB-CE 4.37Å; H1049-M1054 HydrophobicContact CB-SD 4.07Å; H1049-M1054 WeakPolarHBondContact O-CB 3.21Å; H1049-M1054 PolarHBondContact O-N 3.36Å
1050	I	95.4	Very high	97	Very high	11 Å²	11	9.1 Å²	9.1	6%	0.056	5%	0.053	C	C	.	.	H	α-helix	trans	-61.2	-51.5	172.4	-62.5	167.9	0	0	0	109.5	P188 C1044 V1046 D1048 A1052 G1053	P188-I1050 HydrophobicContact CG-CB 4.48Å; P188-I1050 HydrophobicContact CG-CG2 4.45Å; C1044-I1050 WeakPolarHBondContact O-CG1 3.37Å; V1046-I1050 WeakPolarHBondContact O-CG1 3.31Å; V1046-I1050 PolarHBondContact O-N 3.45Å; D1048-I1050 VanDerWaalsContact C-N 3.33Å; D1048-I1050 PolarHBondContact O-N 2.8Å; I1050-A1052 PolarHBondContact O-N 2.84Å; I1050-G1053 PolarHBondContact O-N 2.88Å
1051	S	94	Very high	96.8	Very high	37 Å²	37	12.3 Å²	12.3	26%	0.259	7%	0.073	S	C	.	.	H	α-helix	trans	-62.7	-34.5	-175.5	-56.1	0	0	0	0	111.8	P765 Y969 T1047 D1048 G1053	P765-S1051 WeakPolarHBondContact CB-O 3.29Å; P765-S1051 WeakPolarHBondContact CG-O 3.38Å; Y969-S1051 PolarHBondContact OH-O 3.47Å; T1047-S1051 PolarHBondContact O-N 2.86Å; T1047-S1051 PolarHBondContact O-OG 2.8Å; D1048-S1051 CarbonylContact O-C 3.6Å; D1048-S1051 WeakPolarHBondContact O-CA 3.49Å; D1048-S1051 WeakPolarHBondContact O-CB 3.27Å; D1048-S1051 PolarHBondContact O-N 3.14Å; S1051-G1053 VanDerWaalsContact C-N 3.32Å
1052	A	96.4	Very high	96.6	Very high	3 Å²	3	19 Å²	19	3%	0.025	10%	0.104	C	C	.	.	H	α-helix	trans	-82.2	-5.4	177.6	0	0	0	0	0	114.4	F769 H962 Y969 D1048 I1050	F769-A1052 HydrophobicContact CD2-CB 4.38Å; F769-A1052 HydrophobicContact CE1-CB 4.42Å; F769-A1052 HydrophobicContact CE2-CB 3.61Å; F769-A1052 HydrophobicContact CZ-CB 3.63Å; H962-A1052 HydrophobicContact CB-CB 3.59Å; H962-A1052 WeakPolarHBondContact ND1-CB 2.94Å; Y969-A1052 WeakPolarHBondContact CE2-O 3.45Å; Y969-A1052 VanDerWaalsContact CZ-C 3.47Å; Y969-A1052 VanDerWaalsContact CZ-O 3.27Å; Y969-A1052 WeakPolarHBondContact OH-CA 3.47Å; Y969-A1052 PolarHBondContact OH-O 3.43Å; D1048-A1052 WeakPolarHBondContact O-CB 3.07Å; D1048-A1052 PolarHBondContact O-N 2.9Å; I1050-A1052 PolarHBondContact O-N 2.84Å
1053	G	96.3	Very high	95.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	102	21.7	167.8	0	0	0	0	0	115.6	V968 Y969 H1049 I1050 S1051 E1055	V968-G1053 CarbonylContact C-O 3.56Å; V968-G1053 WeakPolarHBondContact CA-O 3.47Å; V968-G1053 WeakPolarHBondContact CB-O 3.14Å; Y969-G1053 VanDerWaalsContact CZ-CA 3.47Å; Y969-G1053 PolarHBondContact N-O 2.78Å; H1049-G1053 PolarHBondContact O-N 2.56Å; I1050-G1053 PolarHBondContact O-N 2.88Å; S1051-G1053 VanDerWaalsContact C-N 3.32Å; G1053-E1055 PolarHBondContact O-N 3.26Å
1054	M	98.2	Very high	94.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.			trans	-74	60.2	173.9	-161.7	179.4	-77.2	0	0	111.4	F923 V925 H962 I964 C1044 H1049	F923-M1054 HydrophobicContact CB-SD 4.48Å; F923-M1054 HydrophobicContact CD1-CG 4.13Å; F923-M1054 HydrophobicContact CD1-SD 3.73Å; V925-M1054 HydrophobicContact CG2-CE 4.11Å; H962-M1054 HydrophobicContact CB-CB 4.34Å; H962-M1054 HydrophobicContact CB-CE 3.96Å; H962-M1054 VanDerWaalsContact O-CA 3.28Å; H962-M1054 WeakPolarHBondContact O-CA 3.4Å; H962-M1054 WeakPolarHBondContact O-CB 3.24Å; H962-M1054 PolarHBondContact O-N 3.32Å; I964-M1054 HydrophobicContact CD1-CG 4.31Å; I964-M1054 HydrophobicContact CG1-CG 3.68Å; C1044-M1054 HydrophobicContact CB-CB 4.22Å; C1044-M1054 HydrophobicContact CB-CG 3.94Å; C1044-M1054 HydrophobicContact CB-SD 3.45Å; C1044-M1054 WeakPolarHBondContact CB-SD 3.42Å; C1044-M1054 PolarHBondContact N-O 2.87Å; H1049-M1054 HydrophobicContact CB-CB 4.08Å; H1049-M1054 HydrophobicContact CB-CE 4.37Å; H1049-M1054 HydrophobicContact CB-SD 4.07Å; H1049-M1054 WeakPolarHBondContact O-CB 3.21Å; H1049-M1054 PolarHBondContact O-N 3.36Å
1055	E	96.7	Very high	93.1	Very high	5 Å²	5	36.9 Å²	36.9	2%	0.023	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.3	-173.4	-61	-177.9	111.9	0	0	109.8	W754 G970 L1041 H1043 G1053	W754-E1055 HydrophobicContact CH2-CB 4.36Å; W754-E1055 VanDerWaalsContact CH2-OE2 3.24Å; W754-E1055 WeakPolarHBondContact CH2-OE2 3.12Å; W754-E1055 WeakPolarHBondContact CZ3-OE2 3.36Å; G970-E1055 PolarHBondContact N-O 3.39Å; L1041-E1055 HydrophobicContact CD1-CB 4.4Å; H1043-E1055 HydrophobicContact CB-CB 4.34Å; H1043-E1055 HydrophobicContact CB-CG 3.88Å; G1053-E1055 PolarHBondContact O-N 3.26Å
1056	A	97.4	Very high	90.9	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	170.4	176.3	0	0	0	0	0	110.2	I964 L972 L1042	I964-A1056 HydrophobicContact CD1-CB 3.83Å; L972-A1056 HydrophobicContact CB-CB 3.93Å; L972-A1056 HydrophobicContact CD2-CB 3.85Å; L972-A1056 HydrophobicContact CG-CB 4.35Å; L1042-A1056 HydrophobicContact CD2-CB 4.44Å; L1042-A1056 PolarHBondContact N-O 3.23Å; L1042-A1056 PolarHBondContact O-N 2.81Å; L1042-A1056 VanDerWaalsContact O-O 3.06Å
1057	M	97.3	Very high	88.1	Confident	22 Å²	22	49.4 Å²	49.4	11%	0.108	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.9	179.9	-59.4	-67.4	-69.3	0	0	109.3	Y137 D139 W754 T1039 W1040 L1041	Y137-M1057 HydrophobicContact CD2-CE 3.54Å; Y137-M1057 HydrophobicContact CD2-SD 3.79Å; Y137-M1057 HydrophobicContact CE2-CE 3.27Å; Y137-M1057 HydrophobicContact CE2-SD 3.85Å; D139-M1057 HydrophobicContact CB-CE 4.37Å; W754-M1057 HydrophobicContact CZ2-SD 4.49Å; T1039-M1057 HydrophobicContact CG2-CB 4.01Å; T1039-M1057 HydrophobicContact CG2-CE 3.35Å; W1040-M1057 WeakPolarHBondContact O-CA 3.43Å; L1041-M1057 HydrophobicContact CB-SD 4.38Å; L1041-M1057 HydrophobicContact CD1-SD 3.55Å; L1041-M1057 VanDerWaalsContact CD1-SD 3.55Å
1058	Y	97.5	Very high	85.5	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.3	168.4	75.2	-85.7	0	0	0	110.5	L975 M977 W985 W1001 H1002 H1004 M1032 T1039 W1040 L1042 V1060	L975-Y1058 CarbonylContact O-C 3.55Å; L975-Y1058 WeakPolarHBondContact O-CA 3.43Å; M977-Y1058 HydrophobicContact CE-CD2 3.84Å; M977-Y1058 HydrophobicContact CE-CG 4.45Å; M977-Y1058 HydrophobicContact SD-CD2 4.27Å; W985-Y1058 HydrophobicContact CH2-CG 4.34Å; W1001-Y1058 HydrophobicContact CB-CE1 4.47Å; H1002-Y1058 PolarHBondContact O-OH 2.84Å; H1004-Y1058 AromaticContact ND1-CE2 3.92Å; H1004-Y1058 AromaticContact ND1-CZ 3.82Å; H1004-Y1058 PolarHBondContact ND1-OH 2.95Å; M1032-Y1058 HydrophobicContact CE-CD2 4.49Å; M1032-Y1058 HydrophobicContact CE-CE2 4.03Å; T1039-Y1058 WeakPolarHBondContact CA-O 3.28Å; W1040-Y1058 HydrophobicContact CB-CD1 3.84Å; W1040-Y1058 HydrophobicContact CB-CD2 4.38Å; W1040-Y1058 HydrophobicContact CB-CE1 3.3Å; W1040-Y1058 HydrophobicContact CB-CE2 3.91Å; W1040-Y1058 HydrophobicContact CB-CG 4.36Å; W1040-Y1058 AromaticContact CD1-CE2 3.74Å; W1040-Y1058 AromaticContact CD1-CZ 3.92Å; W1040-Y1058 HydrophobicContact CG-CE1 4.27Å; W1040-Y1058 HydrophobicContact CG-CE2 4.1Å; W1040-Y1058 AromaticContact CG-CZ 3.81Å; W1040-Y1058 PolarHBondContact N-O 2.96Å; W1040-Y1058 PolarHBondContact O-N 2.55Å; L1042-Y1058 HydrophobicContact CB-CD1 4.13Å; Y1058-V1060 HydrophobicContact CD2-CG2 4Å; Y1058-V1060 HydrophobicContact CE2-CG2 3.76Å
1059	T	96.9	Very high	82.7	Confident	37 Å²	37	64.5 Å²	64.5	23%	0.227	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.6	-175.2	-58	0	0	0	0	110.4	L975 N976 M977 G1038 T1039 T1061	L975-T1059 PolarHBondContact O-N 2.8Å; N976-T1059 WeakPolarHBondContact CA-O 3.34Å; M977-T1059 PolarHBondContact N-O 3.42Å; G1038-T1059 WeakPolarHBondContact O-CA 3.28Å; T1039-T1059 PolarHBondContact OG1-OG1 2.88Å; T1059-T1061 HydrophobicContact CG2-CG2 4.2Å
1060	V	96.7	Very high	79.6	Confident	3 Å²	3	70.4 Å²	70.4	2%	0.018	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.7	171.8	-176.8	0	0	0	0	108.5	M977 V979 P1034 H1036 P1037 G1038 Y1058	M977-V1060 HydrophobicContact CG-CB 4.49Å; M977-V1060 HydrophobicContact CG-CG2 3.87Å; M977-V1060 CarbonylContact O-C 3.55Å; M977-V1060 VanDerWaalsContact O-CA 3.29Å; M977-V1060 WeakPolarHBondContact O-CA 3.11Å; M977-V1060 HydrophobicContact SD-CG2 4.21Å; V979-V1060 HydrophobicContact CG2-CG1 3.68Å; P1034-V1060 HydrophobicContact CB-CB 4.42Å; P1034-V1060 HydrophobicContact CB-CG1 3.74Å; P1034-V1060 HydrophobicContact CB-CG2 3.73Å; P1034-V1060 HydrophobicContact CG-CG1 4.32Å; H1036-V1060 WeakPolarHBondContact O-CB 3.45Å; H1036-V1060 WeakPolarHBondContact O-CG1 3.49Å; P1037-V1060 CarbonylContact C-O 3.51Å; P1037-V1060 WeakPolarHBondContact CA-O 3.47Å; G1038-V1060 PolarHBondContact N-O 2.91Å; G1038-V1060 PolarHBondContact O-N 3.29Å; Y1058-V1060 HydrophobicContact CD2-CG2 4Å; Y1058-V1060 HydrophobicContact CE2-CG2 3.76Å
1061	T	95.3	Very high	78.8	Confident	67 Å²	67	73.4 Å²	73.4	41%	0.411	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	155.9	176.1	58.2	0	0	0	0	111.7	M977 E978 V979 T1059	M977-T1061 PolarHBondContact O-N 3.19Å; M977-T1061 PolarHBondContact O-OG1 3.38Å; E978-T1061 CarbonylContact C-O 3.49Å; E978-T1061 WeakPolarHBondContact CA-O 3.26Å; V979-T1061 PolarHBondContact N-O 3.45Å; T1059-T1061 HydrophobicContact CG2-CG2 4.2Å
1062	E	93.3	Very high	78	Confident	142 Å²	142	75.3 Å²	75.3	66%	0.664	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-69.8	140	172.2	-68.8	-166.6	171.7	0	0	111	P1037	P1037-E1062 HydrophobicContact CB-CG 3.95Å; P1037-E1062 HydrophobicContact CG-CG 3.87Å
1063	K	83.2	Confident	77	Confident	71 Å²	71	79.3 Å²	79.3	31%	0.309	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-66.5	128.1	170.2	-70.6	-162.2	166.5	167.3	0	110.4	E978 V979 D981 K1065	E978-K1063 HydrophobicContact CB-CD 4.35Å; E978-K1063 VanDerWaalsContact CB-CE 3.48Å; E978-K1063 HydrophobicContact CB-CG 3.72Å; E978-K1063 VanDerWaalsContact OE2-CE 3.29Å; E978-K1063 WeakPolarHBondContact OE2-CE 3.26Å; E978-K1063 WeakPolarHBondContact OE2-CG 3.33Å; V979-K1063 WeakPolarHBondContact O-CD 3.5Å; V979-K1063 WeakPolarHBondContact O-CE 3.42Å; V979-K1063 WeakPolarHBondContact O-CG 3.47Å; V979-K1063 PolarHBondContact O-NZ 3.07Å; D981-K1063 VanDerWaalsContact OD1-CE 3.22Å; D981-K1063 WeakPolarHBondContact OD1-CE 2.84Å; D981-K1063 IonicContact OD1-NZ 3.86Å; D981-K1063 PolarHBondContact OD1-NZ 3.13Å; K1063-K1065 PolarHBondContact O-N 2.97Å; K1063-K1065 VanDerWaalsContact O-N 3.1Å
1064	P	74.3	Confident	75.9	Confident	97 Å²	97	83.9 Å²	83.9	63%	0.63	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-58.7	122.8	172.1	19.3	-25.8	0	0	0	108.6	R1066	P1064-R1066 PolarHBondContact O-N 3Å
1065	K	62.6	Low	74.5	Confident	208 Å²	208	89.2 Å²	89.2	90%	0.904	48%	0.484	S	S	*	.			trans	-57.7	100	173.1	-72.1	-179.1	-179.2	173.9	0	107.7	K1063 G1067	K1063-K1065 PolarHBondContact O-N 2.97Å; K1063-K1065 VanDerWaalsContact O-N 3.1Å; K1065-G1067 PolarHBondContact O-N 3.42Å
1066	R	50.8	Low	73	Confident	217 Å²	217	94.8 Å²	94.8	82%	0.819	52%	0.515	S	S	*	.			trans	-59.3	110.3	168.2	-76.3	-169.6	-176.7	-177.9	3	106.5	P1064	P1064-R1066 PolarHBondContact O-N 3Å
1067	G	39	Very low	71.3	Confident	52 Å²	52	101.6 Å²	101.6	54%	0.536	55%	0.552	S	S	.	*			trans	-55.5	150.3	173.2	0	0	0	0	0	109.2	K1065 F1069	K1065-G1067 PolarHBondContact O-N 3.42Å; G1067-F1069 CarbonylContact O-C 3.53Å; G1067-F1069 PolarHBondContact O-N 2.74Å
1068	L	40.4	Very low	69.3	Low	173 Å²	173	107.7 Å²	107.7	91%	0.906	59%	0.586	S	S	*	*	S	Bend	trans	-58.4	4	-178	-110.2	96.1	0	0	0	115.5
1069	F	38.3	Very low	66.9	Low	209 Å²	209	116.7 Å²	116.7	92%	0.917	64%	0.635	S	S	*	*			trans	-138.5	88.7	169.9	-66.8	-81.7	0	0	0	108.7	G1067	G1067-F1069 CarbonylContact O-C 3.53Å; G1067-F1069 PolarHBondContact O-N 2.74Å
1070	G	32.4	Very low	64.2	Low	124 Å²	124	123.9 Å²	123.9	100%	1.278	67%	0.672	S	S	*	*			trans	-173	0	178	0	0	0	0	0	112.1

Retrieved 1,070 of 1,070 residues in 315.8 ms (Link to these results)

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