A0A087X6X0_POEFO Loading...

AE binding protein 1

AlphaFold DB , UniProt , Accession A0A087X6X0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 828 aa.

						>A0A087X6X0_POEFO|A0A087X6X0
MVKIYFFFFLIVSSHSFVPPHVAECPPLGMESHKIESDQLTASSMSQYAFSPQRARLNMQGSEDEDNMRGGAWCANSEDRIHWFEVDARRETEFTGVVTQGRDALNESDFVTSYFLAFSNDSREWTTIHDGYADWLFFGNNDKDTPVMNRLAEPVLARYIRIIPQSWNGSLCMRLEVLGCPVPDPGGALYRQNEVTPVDYLEFKHHSYSEMVELMKSVHEECPNITNIYSLGRSSKGREIMAMIISGNPTEHEIGEPEFRFTAGLHGNEAVGRELILLLMQYLCKEYKDRNPRAQRLVEGIRIHLVPSLNPDGHETAFEVGSEMSSWTMGHFTEDGFDIFQNFPDLNSILWDAEDKGMVPKLTPNHHVPIPENFEFNTSIAMETRAIISWMKAYPFVLGANFQGGEAIVAYPYDSLRLNKPAKSEQSRSRKKRQYEDEGFDVTEWGRGYQEEPEEDWRSRGYAEPEEEWRGHGYDHGYDHGYDPGYEHGYSQGYGHREEEEDDGGRGAGFHYSEPEDEPRLTPDESLFRWLAVSYASTHLTMTHNYRGSCHGDIPAGAVGMVNRAKWKPVTGSMNDFSYLHTNCYELSIFLGCDKFPHQSELAQEWEKNREAMLTFMEQVHRGIRGIVKDQQGNPIANATISVEGINHDVTTAPTGDYWRLLNPGEYRVTAKAEGFSSETKLCVVGYESGATSCSFNLAKSNWDRIKQIMALHGNKPIRLSYSNSRTQTSSRSSGSQKRVISGGNGFSSNSNASPQRMRMLRIARIRRLRQQRLMRLRLSLTTTMPTTTTTTTTAAPTTSWYDSWGLGEAESVTPVLDYNYEYKIDDY
					

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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	41.3	Very low	31.7	Very low	234 Å²	234	165.8 Å²	165.8	100%	1.153	78%	0.778	S	S	*	*				0	100.8	0	-64	162.5	-175.1	0	0	105.3
2	V	31.1	Very low	31.8	Very low	114 Å²	114	162.7 Å²	162.7	69%	0.691	78%	0.778	S	S	*	*				63.7	99.1	71.3	-177.3	0	0	0	0	107.3	I4	V2-I4 HydrophobicContact CG1-CB 4.44Å; V2-I4 HydrophobicContact CG1-CD1 3.78Å; V2-I4 HydrophobicContact CG1-CG1 3.91Å
3	K	35.7	Very low	31.8	Very low	201 Å²	201	156.5 Å²	156.5	87%	0.874	76%	0.762	S	S	*	*				53	166.8	73.1	-79.3	-169	172	-177.9	0	112.5
4	I	35.8	Very low	31.6	Very low	129 Å²	129	153.4 Å²	153.4	66%	0.662	76%	0.764	S	S	*	*			trans	97.8	123.7	159.6	-53.5	-173.4	0	0	0	116.1	V2	V2-I4 HydrophobicContact CG1-CB 4.44Å; V2-I4 HydrophobicContact CG1-CD1 3.78Å; V2-I4 HydrophobicContact CG1-CG1 3.91Å
5	Y	31	Very low	31.6	Very low	183 Å²	183	153.9 Å²	153.9	72%	0.718	76%	0.763	S	S	*	*			cis	-159.3	156.5	-9.9	-121.4	-150	0	0	0	110.3
6	F	28	Very low	31.7	Very low	156 Å²	156	150.7 Å²	150.7	68%	0.684	76%	0.76	S	S	*	*			trans	38.8	127.6	137.7	-78.6	-109.9	0	0	0	121.6
7	F	32.3	Very low	31.8	Very low	190 Å²	190	152.4 Å²	152.4	83%	0.833	76%	0.761	S	S	*	*				51.7	101.7	71	-107.9	-86.6	0	0	0	114.3
8	F	26.9	Very low	31.9	Very low	178 Å²	178	150.1 Å²	150.1	78%	0.781	76%	0.756	S	S	*	*			trans	-162.1	113.1	143	-116.5	-79.4	0	0	0	112.2
9	F	26.5	Very low	32.3	Very low	147 Å²	147	146.8 Å²	146.8	65%	0.645	75%	0.747	S	S	*	*			trans	37.2	122.8	149	-76.3	-111.5	0	0	0	121	I11	F9-I11 HydrophobicContact CD1-CD1 4.12Å; F9-I11 HydrophobicContact CD1-CG1 4.14Å; F9-I11 HydrophobicContact CE1-CD1 3.61Å; F9-I11 HydrophobicContact CE1-CG1 4.13Å; F9-I11 HydrophobicContact CZ-CD1 4.45Å
10	L	26.5	Very low	32.7	Very low	160 Å²	160	144.1 Å²	144.1	84%	0.838	74%	0.739	S	S	*	*				-145.2	119.4	99.1	-118.6	160.1	0	0	0	111.3	V12	L10-V12 PolarHBondContact O-N 3.49Å
11	I	33.9	Very low	33.4	Very low	132 Å²	132	146.1 Å²	146.1	68%	0.677	75%	0.745	S	S	*	*			trans	-73	114.9	169.3	-63.7	170.8	0	0	0	106.6	F9	F9-I11 HydrophobicContact CD1-CD1 4.12Å; F9-I11 HydrophobicContact CD1-CG1 4.14Å; F9-I11 HydrophobicContact CE1-CD1 3.61Å; F9-I11 HydrophobicContact CE1-CG1 4.13Å; F9-I11 HydrophobicContact CZ-CD1 4.45Å
12	V	32.2	Very low	34	Very low	128 Å²	128	137.8 Å²	137.8	78%	0.776	71%	0.707	S	S	*	*			trans	-117.6	133.3	158.7	-177.7	0	0	0	0	106.5	L10 S14	L10-V12 PolarHBondContact O-N 3.49Å; V12-S14 PolarHBondContact O-N 3.43Å
13	S	31.8	Very low	35.2	Very low	82 Å²	82	133.8 Å²	133.8	57%	0.573	69%	0.686	S	S	*	*			trans	-53.9	123.2	-166	-165.6	0	0	0	0	112.3	H15	S13-H15 PolarHBondContact O-N 3.07Å; S13-H15 PolarHBondContact OG-ND1 3.32Å
14	S	30.2	Very low	37.2	Very low	113 Å²	113	131.7 Å²	131.7	79%	0.79	68%	0.68	S	S	*	*			trans	-71.6	69.5	159.9	58.5	0	0	0	0	109.3	V12 S16	V12-S14 PolarHBondContact O-N 3.43Å; S14-S16 VanDerWaalsContact C-N 3.27Å; S14-S16 PolarHBondContact O-N 2.98Å; S14-S16 VanDerWaalsContact O-N 3.14Å
15	H	31.4	Very low	39.7	Very low	162 Å²	162	125.8 Å²	125.8	75%	0.75	65%	0.65	S	S	*	*			trans	-69	100	149.5	-84.4	58.5	0	0	0	105.4	S13 F17	S13-H15 PolarHBondContact O-N 3.07Å; S13-H15 PolarHBondContact OG-ND1 3.32Å; H15-F17 PolarHBondContact O-N 2.88Å
16	S	32.7	Very low	42.7	Very low	102 Å²	102	118.5 Å²	118.5	71%	0.713	63%	0.625	S	S	*	*			trans	-53.5	108.5	162.5	-57.5	0	0	0	0	106.5	S14 V18	S14-S16 VanDerWaalsContact C-N 3.27Å; S14-S16 PolarHBondContact O-N 2.98Å; S14-S16 VanDerWaalsContact O-N 3.14Å; S16-V18 PolarHBondContact O-N 3.06Å
17	F	32.8	Very low	45.8	Very low	179 Å²	179	111.5 Å²	111.5	79%	0.785	60%	0.595	S	S	*	*			trans	-71.1	78.9	166.4	-163.4	-89.2	0	0	0	106.1	H15 P19	H15-F17 PolarHBondContact O-N 2.88Å; F17-P19 HydrophobicContact CE1-CB 4.48Å; F17-P19 VanDerWaalsContact O-CD 3.28Å; F17-P19 WeakPolarHBondContact O-CD 3.27Å
18	V	34.1	Very low	48.8	Very low	111 Å²	111	103.3 Å²	103.3	67%	0.673	56%	0.56	S	S	*	*			trans	-60.6	112.5	156.2	-177.7	0	0	0	0	103	S16	S16-V18 PolarHBondContact O-N 3.06Å
19	P	38.7	Very low	52	Low	89 Å²	89	94.8 Å²	94.8	58%	0.578	52%	0.523	S	S	*	.			trans	-54.3	137.9	173.4	24.9	-32.8	0	0	0	106.9	F17 H21	F17-P19 HydrophobicContact CE1-CB 4.48Å; F17-P19 VanDerWaalsContact O-CD 3.28Å; F17-P19 WeakPolarHBondContact O-CD 3.27Å; P19-H21 PolarHBondContact O-N 2.94Å
20	P	42	Very low	55.2	Low	91 Å²	91	87.8 Å²	87.8	59%	0.591	49%	0.492	S	S	*	.			trans	-51.5	133.2	178.3	23	-32.8	0	0	0	108	V22	P20-V22 PolarHBondContact O-N 2.83Å
21	H	46.2	Very low	58.4	Low	188 Å²	188	80.9 Å²	80.9	87%	0.87	46%	0.455	S	S	*	.			trans	-58.7	103.3	178.8	-132.3	-72.6	0	0	0	106.4	P19 A23	P19-H21 PolarHBondContact O-N 2.94Å; H21-A23 PolarHBondContact O-N 3.42Å; H21-A23 VanDerWaalsContact O-N 3.1Å
22	V	54.2	Low	61.2	Low	58 Å²	58	75.6 Å²	75.6	35%	0.352	43%	0.43	S	S	.	.			trans	-60.5	119.5	173	179.4	0	0	0	0	104.9	P20 E24	P20-V22 PolarHBondContact O-N 2.83Å; V22-E24 PolarHBondContact O-N 3.48Å
23	A	56.3	Low	64	Low	30 Å²	30	71.1 Å²	71.1	25%	0.248	40%	0.4	C	S	.	.			trans	-62.4	111.6	179.3	0	0	0	0	0	108	H21 C25 T95	H21-A23 PolarHBondContact O-N 3.42Å; H21-A23 VanDerWaalsContact O-N 3.1Å; A23-C25 PolarHBondContact O-N 2.94Å; A23-T95 HydrophobicContact CB-CG2 4.49Å; A23-T95 WeakPolarHBondContact O-CG2 3.49Å
24	E	77.7	Confident	66.7	Low	158 Å²	158	71.1 Å²	71.1	74%	0.738	39%	0.39	S	S	*	.			trans	-79.1	80.3	175.4	-65.8	-165.2	145.3	0	0	108.6	V22 R150	V22-E24 PolarHBondContact O-N 3.48Å; E24-R150 IonicContact OE1-NH1 2.61Å
25	C	89.1	Confident	69.7	Low	4 Å²	4	66 Å²	66	3%	0.027	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-78	144.1	176.3	-62	0	0	0	0	111.7	A23 T95 C180	A23-C25 PolarHBondContact O-N 2.94Å; C25-T95 HydrophobicContact CB-CG2 3.91Å; C25-T95 WeakPolarHBondContact SG-CG2 3.48Å; C25-C180 VanDerWaalsContact CA-SG 3.53Å; C25-C180 HydrophobicContact CB-CB 4.02Å; C25-C180 WeakPolarHBondContact CB-SG 3.27Å; C25-C180 WeakPolarHBondContact SG-CB 3.38Å; C25-C180 PolarHBondContact SG-N 2.88Å; C25-C180 CovalentContact SG-SG 2.03Å; C25-C180 PolarHBondContact SG-SG 3.36Å
26	P	92.8	Very high	72.5	Confident	31 Å²	31	61 Å²	61	20%	0.201	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-72.4	169.6	179.8	33.6	-38.4	0	0	0	111.9	L178 G179 H598	P26-L178 WeakPolarHBondContact O-CA 3.24Å; P26-G179 PolarHBondContact O-N 2.93Å; P26-H598 WeakPolarHBondContact CB-ND1 3.27Å
27	P	94.7	Very high	75.3	Confident	9 Å²	9	58.4 Å²	58.4	6%	0.058	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-47	137.4	157.4	-29.4	37.7	0	0	0	112.7	G29 E176 L178 E323 H598	P27-G29 VanDerWaalsContact C-N 3.3Å; P27-E176 HydrophobicContact CB-CG 3.83Å; P27-E176 HydrophobicContact CG-CG 4.32Å; P27-L178 HydrophobicContact CB-CD2 4.49Å; P27-L178 HydrophobicContact CG-CD2 4Å; P27-E323 HydrophobicContact CG-CG 3.45Å; P27-E323 VanDerWaalsContact CG-CG 3.45Å; P27-H598 HydrophobicContact CG-CB 3.93Å
28	L	94.3	Very high	78.1	Confident	17 Å²	17	54.9 Å²	54.9	9%	0.089	30%	0.302	C	S	.	.			trans	-76.6	-23.3	169.4	-66.4	-179.1	0	0	0	111.4	K34 I35 T92 F94 V177 G179 P181	L28-K34 WeakPolarHBondContact O-CD 3.38Å; L28-I35 HydrophobicContact CB-CD1 3.66Å; L28-I35 HydrophobicContact CB-CG1 4.29Å; L28-T92 HydrophobicContact CD1-CG2 4.17Å; L28-T92 HydrophobicContact CD2-CG2 4.08Å; L28-F94 HydrophobicContact CD1-CD1 4.18Å; L28-F94 HydrophobicContact CD1-CE1 3.72Å; L28-V177 HydrophobicContact CD1-CB 4.14Å; L28-V177 HydrophobicContact CD1-CG1 3.72Å; L28-V177 HydrophobicContact CG-CG1 4.48Å; L28-V177 PolarHBondContact N-O 3.48Å; L28-G179 WeakPolarHBondContact CD2-O 3.29Å; L28-P181 HydrophobicContact CD2-CG 4.12Å
29	G	93.8	Very high	81.1	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.275	C	S	.	.			trans	104.4	53.5	167	0	0	0	0	0	113.1	P27 S32 H33 K34 I35 E176	P27-G29 VanDerWaalsContact C-N 3.3Å; G29-S32 WeakPolarHBondContact CA-OG 3.33Å; G29-H33 PolarHBondContact O-N 2.83Å; G29-K34 PolarHBondContact O-N 3.04Å; G29-K34 VanDerWaalsContact O-N 3.09Å; G29-I35 PolarHBondContact O-N 2.84Å; G29-E176 PolarHBondContact N-OE1 3.34Å; G29-E176 VanDerWaalsContact N-OE1 3.11Å
30	M	94.8	Very high	83.8	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-50.8	161.2	-65.1	-68.8	-71.1	0	0	109.9	I35 L40 A55 R56 F84 V86 L175 E176	M30-I35 HydrophobicContact CG-CD1 3.89Å; M30-I35 HydrophobicContact SD-CB 4.35Å; M30-I35 HydrophobicContact SD-CD1 3.66Å; M30-I35 HydrophobicContact SD-CG2 4.16Å; M30-L40 HydrophobicContact CE-CD1 4.12Å; M30-L40 HydrophobicContact CE-CD2 3.75Å; M30-L40 HydrophobicContact SD-CD2 3.62Å; M30-A55 HydrophobicContact CE-CB 4.49Å; M30-R56 HydrophobicContact CB-CB 4.48Å; M30-R56 HydrophobicContact CB-CG 4.47Å; M30-R56 HydrophobicContact CE-CG 4.33Å; M30-R56 WeakPolarHBondContact O-CB 3.47Å; M30-R56 WeakPolarHBondContact O-CD 3.27Å; M30-R56 WeakPolarHBondContact O-CG 3.33Å; M30-R56 PolarHBondContact O-NH1 2.94Å; M30-F84 HydrophobicContact CE-CE1 3.98Å; M30-F84 HydrophobicContact CE-CZ 4.05Å; M30-V86 HydrophobicContact SD-CG2 4.14Å; M30-L175 VanDerWaalsContact CB-O 3.26Å; M30-L175 WeakPolarHBondContact CB-O 3.05Å; M30-L175 HydrophobicContact CE-CD1 3.97Å; M30-L175 HydrophobicContact CE-CG 4.11Å; M30-L175 HydrophobicContact CG-CD1 4.32Å; M30-L175 WeakPolarHBondContact CG-O 3.32Å; M30-E176 WeakPolarHBondContact CA-OE2 3.3Å; M30-E176 WeakPolarHBondContact CB-OE2 3.45Å; M30-E176 WeakPolarHBondContact CG-OE1 3.47Å; M30-E176 VanDerWaalsContact N-CD 3.28Å; M30-E176 PolarHBondContact N-OE1 2.83Å; M30-E176 PolarHBondContact N-OE2 2.77Å
31	E	93.4	Very high	86.4	Confident	14 Å²	14	45 Å²	45	7%	0.065	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-40.3	-178.8	-171.4	163.9	164.6	0	0	113	H33 L57 N58 E176 C593 D594	E31-H33 PolarHBondContact O-CD2 2.9Å; E31-H33 PolarHBondContact O-N 2.87Å; E31-H33 VanDerWaalsContact O-N 3.17Å; E31-L57 HydrophobicContact CB-CB 4.25Å; E31-L57 WeakPolarHBondContact OE2-CG 3.37Å; E31-N58 WeakPolarHBondContact OE1-CB 3.43Å; E31-N58 PolarHBondContact OE1-ND2 3.42Å; E31-N58 WeakPolarHBondContact OE2-CB 3.33Å; E31-N58 PolarHBondContact OE2-ND2 3.07Å; E31-E176 PolarHBondContact N-OE2 2.92Å; E31-C593 WeakPolarHBondContact O-CB 3.19Å; E31-D594 HydrophobicContact CB-CB 4.48Å; E31-D594 HydrophobicContact CG-CB 3.95Å
32	S	91.3	Very high	88.8	Confident	22 Å²	22	37 Å²	37	15%	0.154	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	2.5	179.2	70.6	0	0	0	0	114.7	G29 K34 E601	G29-S32 WeakPolarHBondContact CA-OG 3.33Å; S32-K34 PolarHBondContact O-N 3.24Å; S32-K34 VanDerWaalsContact O-N 3.15Å; S32-E601 WeakPolarHBondContact CB-OE2 3.5Å; S32-E601 PolarHBondContact OG-OE2 3.28Å
33	H	90.9	Very high	90.8	Very high	33 Å²	33	35.9 Å²	35.9	15%	0.153	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	22	-175	-76.6	-125.2	0	0	0	114.3	G29 E31 R56 C550 C593	G29-H33 PolarHBondContact O-N 2.83Å; E31-H33 PolarHBondContact O-CD2 2.9Å; E31-H33 PolarHBondContact O-N 2.87Å; E31-H33 VanDerWaalsContact O-N 3.17Å; H33-R56 VanDerWaalsContact NE2-CD 3.28Å; H33-R56 WeakPolarHBondContact NE2-CD 3.39Å; H33-C550 PolarHBondContact CE1-O 2.74Å; H33-C550 PolarHBondContact NE2-O 3.44Å; H33-C593 VanDerWaalsContact CD2-SG 3.55Å
34	K	89.9	Confident	92.7	Very high	83 Å²	83	35.5 Å²	35.5	36%	0.361	19%	0.194	S	C	.	.			trans	-74.9	-30.6	172.6	178.1	-178.6	173.3	-164.8	0	112.1	L28 G29 S32 E601	L28-K34 WeakPolarHBondContact O-CD 3.38Å; G29-K34 PolarHBondContact O-N 3.04Å; G29-K34 VanDerWaalsContact O-N 3.09Å; S32-K34 PolarHBondContact O-N 3.24Å; S32-K34 VanDerWaalsContact O-N 3.15Å; K34-E601 WeakPolarHBondContact CD-OE1 3.39Å; K34-E601 IonicContact NZ-OE1 3.26Å; K34-E601 PolarHBondContact NZ-OE1 3.09Å
35	I	92.3	Very high	93.5	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.031	18%	0.177	C	C	.	.	S	Bend	trans	-77.4	114.5	158.7	-67.2	169.9	0	0	0	107.4	L28 G29 M30 Q39 L40 R56 V86	L28-I35 HydrophobicContact CB-CD1 3.66Å; L28-I35 HydrophobicContact CB-CG1 4.29Å; G29-I35 PolarHBondContact O-N 2.84Å; M30-I35 HydrophobicContact CG-CD1 3.89Å; M30-I35 HydrophobicContact SD-CB 4.35Å; M30-I35 HydrophobicContact SD-CD1 3.66Å; M30-I35 HydrophobicContact SD-CG2 4.16Å; I35-Q39 HydrophobicContact CG2-CB 3.7Å; I35-Q39 HydrophobicContact CG2-CG 4.45Å; I35-L40 HydrophobicContact CG2-CD2 3.65Å; I35-L40 HydrophobicContact CG2-CG 4.16Å; I35-R56 VanDerWaalsContact O-CZ 3.27Å; I35-R56 PolarHBondContact O-NH1 3.21Å; I35-R56 PolarHBondContact O-NH2 3.13Å; I35-V86 HydrophobicContact CD1-CG1 3.94Å; I35-V86 HydrophobicContact CG2-CG1 4.31Å
36	E	91.2	Very high	93.6	Very high	55 Å²	55	34.4 Å²	34.4	26%	0.257	20%	0.196	S	C	.	.			trans	-73.3	157.1	-179.4	-68.8	-68.9	177.5	0	0	112.1	D38 Q39 R547	E36-D38 PolarHBondContact O-N 3Å; E36-D38 VanDerWaalsContact O-N 3.1Å; E36-Q39 WeakPolarHBondContact O-CB 3.22Å; E36-Q39 PolarHBondContact O-N 2.96Å; E36-R547 IonicContact OE1-CZ 3.86Å; E36-R547 IonicContact OE1-NE 3.45Å; E36-R547 PolarHBondContact OE1-NE 2.78Å; E36-R547 IonicContact OE1-NH2 3.65Å; E36-R547 PolarHBondContact OE1-NH2 3.09Å
37	S	90.4	Very high	93.5	Very high	48 Å²	48	38.7 Å²	38.7	34%	0.336	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.4	-172.5	-73.8	0	0	0	0	115.5	Q53 R56	S37-Q53 VanDerWaalsContact CB-CG 3.49Å; S37-Q53 PolarHBondContact O-NE2 3.06Å; S37-Q53 WeakPolarHBondContact OG-CG 3.42Å; S37-R56 PolarHBondContact OG-NH2 2.89Å
38	D	92.8	Very high	93.1	Very high	106 Å²	106	46.1 Å²	46.1	57%	0.567	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-6	175.7	74.6	-35.3	0	0	0	113.4	E36 L40 R89	E36-D38 PolarHBondContact O-N 3Å; E36-D38 VanDerWaalsContact O-N 3.1Å; D38-L40 VanDerWaalsContact C-N 3.28Å; D38-R89 IonicContact OD1-CZ 2.88Å; D38-R89 IonicContact OD1-NH2 3.94Å; D38-R89 PolarHBondContact OD1-NH2 3.28Å; D38-R89 IonicContact OD2-CZ 3.08Å; D38-R89 IonicContact OD2-NH1 2.65Å; D38-R89 IonicContact OD2-NH2 2.85Å; D38-R89 PolarHBondContact OD2-NH2 2.8Å
39	Q	95.5	Very high	92.8	Very high	19 Å²	19	46.1 Å²	46.1	9%	0.089	24%	0.244	C	C	.	.	S	Bend	trans	-82.4	-6.9	168.5	-67.4	172.7	-115.3	0	0	112.8	I35 E36 V86 D87 R89	I35-Q39 HydrophobicContact CG2-CB 3.7Å; I35-Q39 HydrophobicContact CG2-CG 4.45Å; E36-Q39 WeakPolarHBondContact O-CB 3.22Å; E36-Q39 PolarHBondContact O-N 2.96Å; Q39-V86 WeakPolarHBondContact O-CA 3.29Å; Q39-D87 HydrophobicContact CB-CB 4.44Å; Q39-D87 PolarHBondContact NE2-O 2.9Å; Q39-D87 PolarHBondContact O-N 2.8Å; Q39-R89 HydrophobicContact CG-CG 4.15Å; Q39-R89 VanDerWaalsContact CG-NE 3.27Å
40	L	96.5	Very high	92.7	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.8	-171.8	-57.2	-176.6	0	0	0	110.6	M30 I35 D38 P52 F84 V86	M30-L40 HydrophobicContact CE-CD1 4.12Å; M30-L40 HydrophobicContact CE-CD2 3.75Å; M30-L40 HydrophobicContact SD-CD2 3.62Å; I35-L40 HydrophobicContact CG2-CD2 3.65Å; I35-L40 HydrophobicContact CG2-CG 4.16Å; D38-L40 VanDerWaalsContact C-N 3.28Å; L40-P52 HydrophobicContact CB-CB 4.3Å; L40-F84 HydrophobicContact CB-CZ 4.16Å; L40-F84 HydrophobicContact CD2-CE1 4.21Å; L40-F84 HydrophobicContact CD2-CZ 4Å; L40-F84 HydrophobicContact CG-CZ 4.47Å; L40-V86 HydrophobicContact CD2-CG1 4.38Å; L40-V86 HydrophobicContact CD2-CG2 3.98Å
41	T	96.6	Very high	92.6	Very high	59 Å²	59	47.9 Å²	47.9	36%	0.362	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	161	175.4	65.3	0	0	0	0	111.1	E85	T41-E85 PolarHBondContact N-O 3.49Å; T41-E85 PolarHBondContact O-N 2.78Å
42	A	97.1	Very high	92.6	Very high	20 Å²	20	47.7 Å²	47.7	17%	0.165	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	162.8	177.4	0	0	0	0	0	110.7	S44 P52 W73 W83 F84	A42-S44 PolarHBondContact O-N 3.15Å; A42-P52 HydrophobicContact CB-CB 4.35Å; A42-P52 HydrophobicContact CB-CG 3.84Å; A42-W73 HydrophobicContact CB-CD2 4.4Å; A42-W73 HydrophobicContact CB-CZ2 3.72Å; A42-W83 VanDerWaalsContact C-CZ3 3.46Å; A42-W83 CarbonylContact C-O 3.31Å; A42-W83 VanDerWaalsContact CA-O 3.27Å; A42-W83 WeakPolarHBondContact CA-O 3.42Å; A42-W83 WeakPolarHBondContact CB-O 3.44Å; A42-F84 HydrophobicContact CB-CD2 4.07Å
43	S	96	Very high	92.6	Very high	35 Å²	35	49.6 Å²	49.6	25%	0.245	26%	0.26	C	S	.	.	S	Bend	trans	-54.7	-40.1	175.3	57.3	0	0	0	0	112.9	I81 H82 W83	S43-I81 WeakPolarHBondContact CB-O 3.41Å; S43-H82 WeakPolarHBondContact OG-CA 3.25Å; S43-W83 PolarHBondContact N-O 2.93Å; S43-W83 PolarHBondContact OG-N 2.98Å; S43-W83 VanDerWaalsContact OG-N 3.15Å; S43-W83 PolarHBondContact OG-O 2.91Å
44	S	96.1	Very high	92.7	Very high	21 Å²	21	48.6 Å²	48.6	15%	0.147	26%	0.255	C	S	.	.			trans	-167.9	175.1	-178	56.7	0	0	0	0	110.9	A42 W73 N76 D79	A42-S44 PolarHBondContact O-N 3.15Å; S44-W73 PolarHBondContact O-NE1 2.96Å; S44-N76 PolarHBondContact OG-N 3.25Å; S44-D79 WeakPolarHBondContact CB-OD2 3.15Å; S44-D79 PolarHBondContact OG-OD2 3.21Å
45	M	94.2	Very high	93	Very high	79 Å²	79	44.7 Å²	44.7	39%	0.389	24%	0.238	S	C	.	.			trans	-138.1	142.5	169.4	66.5	-169.2	82.2	0	0	109	P52 C74	M45-P52 HydrophobicContact CE-CG 4.47Å; M45-C74 CarbonylContact C-O 3.53Å; M45-C74 VanDerWaalsContact CA-O 3.31Å; M45-C74 WeakPolarHBondContact CA-O 3.43Å
46	S	92.1	Very high	93.2	Very high	61 Å²	61	44.5 Å²	44.5	43%	0.427	24%	0.237	S	C	.	.	S	Bend	trans	-63.7	-45.1	176.8	174.6	0	0	0	0	111.4	C74	S46-C74 PolarHBondContact N-O 3.48Å
47	Q	88.9	Confident	93.4	Very high	120 Å²	120	42.1 Å²	42.1	56%	0.561	23%	0.226	S	C	*	.	S	Bend	trans	-149.3	165.6	175	-53.3	-179.4	8.3	0	0	109.5	A49 F50	Q47-A49 PolarHBondContact O-N 3.14Å; Q47-F50 HydrophobicContact CB-CD2 3.96Å; Q47-F50 HydrophobicContact CB-CE2 4.47Å; Q47-F50 HydrophobicContact CG-CD2 4.3Å; Q47-F50 CarbonylContact O-C 3.57Å; Q47-F50 WeakPolarHBondContact O-CA 3.09Å; Q47-F50 PolarHBondContact O-N 3.22Å
48	Y	87	Confident	93.6	Very high	165 Å²	165	40 Å²	40	65%	0.647	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-57	-34.4	177.6	-177	-97.1	0	0	0	113.4	F50 S51 M68	Y48-F50 PolarHBondContact O-N 3.35Å; Y48-S51 VanDerWaalsContact O-CB 3.23Å; Y48-S51 WeakPolarHBondContact O-CB 3.31Å; Y48-S51 PolarHBondContact O-N 3.37Å; Y48-S51 PolarHBondContact O-OG 2.83Å; Y48-M68 HydrophobicContact CD1-CB 4.35Å; Y48-M68 HydrophobicContact CD1-CG 4.37Å; Y48-M68 HydrophobicContact CD1-SD 3.55Å; Y48-M68 VanDerWaalsContact CD1-SD 3.55Å; Y48-M68 HydrophobicContact CE1-SD 3.62Å
49	A	87.5	Confident	93.6	Very high	18 Å²	18	35.2 Å²	35.2	15%	0.149	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-64.2	-17.8	175.2	0	0	0	0	0	113.8	Q47 G70	Q47-A49 PolarHBondContact O-N 3.14Å; A49-G70 WeakPolarHBondContact O-CA 3.45Å; A49-G70 PolarHBondContact O-N 2.86Å
50	F	91.9	Very high	93.3	Very high	22 Å²	22	36.1 Å²	36.1	10%	0.096	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-112.3	31.1	178.2	-56.5	-70.1	0	0	0	112.1	Q47 Y48 G70 A72 W73 C74	Q47-F50 HydrophobicContact CB-CD2 3.96Å; Q47-F50 HydrophobicContact CB-CE2 4.47Å; Q47-F50 HydrophobicContact CG-CD2 4.3Å; Q47-F50 CarbonylContact O-C 3.57Å; Q47-F50 WeakPolarHBondContact O-CA 3.09Å; Q47-F50 PolarHBondContact O-N 3.22Å; Y48-F50 PolarHBondContact O-N 3.35Å; F50-G70 VanDerWaalsContact CE1-CA 3.43Å; F50-A72 WeakPolarHBondContact CA-O 3.25Å; F50-W73 WeakPolarHBondContact O-CA 3.35Å; F50-W73 VanDerWaalsContact O-CD1 3.28Å; F50-C74 HydrophobicContact CB-CB 3.75Å; F50-C74 HydrophobicContact CD1-CB 4.14Å; F50-C74 WeakPolarHBondContact CD1-SG 3.35Å; F50-C74 HydrophobicContact CG-CB 3.93Å; F50-C74 PolarHBondContact O-N 3.15Å
51	S	92.2	Very high	92.9	Very high	14 Å²	14	36.8 Å²	36.8	10%	0.098	20%	0.198	C	C	.	.			trans	-62.8	161.3	-179.7	48.4	0	0	0	0	113.3	Y48 Q53 R54	Y48-S51 VanDerWaalsContact O-CB 3.23Å; Y48-S51 WeakPolarHBondContact O-CB 3.31Å; Y48-S51 PolarHBondContact O-N 3.37Å; Y48-S51 PolarHBondContact O-OG 2.83Å; S51-Q53 PolarHBondContact O-N 2.81Å; S51-R54 VanDerWaalsContact O-CB 3.24Å; S51-R54 WeakPolarHBondContact O-CB 3.45Å; S51-R54 WeakPolarHBondContact O-CG 2.98Å; S51-R54 PolarHBondContact O-N 3.46Å
52	P	94.4	Very high	92.1	Very high	10 Å²	10	35.8 Å²	35.8	7%	0.065	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-54.3	-30.1	-177.2	-28.6	36.4	0	0	0	114.5	L40 A42 M45 R54 A55 F84	L40-P52 HydrophobicContact CB-CB 4.3Å; A42-P52 HydrophobicContact CB-CB 4.35Å; A42-P52 HydrophobicContact CB-CG 3.84Å; M45-P52 HydrophobicContact CE-CG 4.47Å; P52-R54 PolarHBondContact O-N 3.31Å; P52-R54 VanDerWaalsContact O-N 3.14Å; P52-A55 WeakPolarHBondContact O-CB 3.33Å; P52-A55 PolarHBondContact O-N 3.43Å; P52-F84 HydrophobicContact CB-CE2 3.77Å; P52-F84 WeakPolarHBondContact O-CE2 3.34Å
53	Q	92.1	Very high	90.6	Very high	62 Å²	62	39.1 Å²	39.1	29%	0.29	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-63.7	-17.9	177.9	-64.6	72.5	22.3	0	0	113.2	S37 S51 A55 R56	S37-Q53 VanDerWaalsContact CB-CG 3.49Å; S37-Q53 PolarHBondContact O-NE2 3.06Å; S37-Q53 WeakPolarHBondContact OG-CG 3.42Å; S51-Q53 PolarHBondContact O-N 2.81Å; Q53-A55 VanDerWaalsContact C-N 3.35Å; Q53-R56 WeakPolarHBondContact O-CD 3.17Å; Q53-R56 WeakPolarHBondContact O-CG 3.48Å; Q53-R56 PolarHBondContact O-NE 3.45Å
54	R	93.1	Very high	89.2	Confident	13 Å²	13	42 Å²	42	5%	0.049	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-86.3	-5.3	177.7	-54.9	-66.6	-61	177	4.5	112.9	S51 P52 R56 M59 Q60 R69 G70 A72 W73 H551	S51-R54 VanDerWaalsContact O-CB 3.24Å; S51-R54 WeakPolarHBondContact O-CB 3.45Å; S51-R54 WeakPolarHBondContact O-CG 2.98Å; S51-R54 PolarHBondContact O-N 3.46Å; P52-R54 PolarHBondContact O-N 3.31Å; P52-R54 VanDerWaalsContact O-N 3.14Å; R54-R56 PolarHBondContact O-N 2.78Å; R54-M59 VanDerWaalsContact CZ-SD 3.51Å; R54-M59 PolarHBondContact NH1-SD 3.21Å; R54-Q60 PolarHBondContact NH2-O 2.85Å; R54-R69 PolarHBondContact NH2-O 2.92Å; R54-G70 PolarHBondContact NE-O 2.89Å; R54-G70 VanDerWaalsContact NH2-C 3.33Å; R54-G70 PolarHBondContact NH2-O 3.14Å; R54-A72 VanDerWaalsContact CB-C 3.42Å; R54-A72 VanDerWaalsContact CB-O 3.25Å; R54-A72 WeakPolarHBondContact CB-O 3.05Å; R54-A72 CarbonylContact O-C 3.6Å; R54-A72 WeakPolarHBondContact O-CA 3.36Å; R54-W73 PolarHBondContact O-N 2.8Å; R54-H551 PolarHBondContact NH1-O 3.15Å
55	A	95.9	Very high	87.5	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.255	C	S	.	.			trans	-74.5	5.1	175.9	0	0	0	0	0	114.3	M30 P52 Q53 W73 F84 R174 L175	M30-A55 HydrophobicContact CE-CB 4.49Å; P52-A55 WeakPolarHBondContact O-CB 3.33Å; P52-A55 PolarHBondContact O-N 3.43Å; Q53-A55 VanDerWaalsContact C-N 3.35Å; A55-W73 HydrophobicContact CB-CB 3.61Å; A55-F84 HydrophobicContact CB-CD2 3.91Å; A55-F84 HydrophobicContact CB-CE1 4.13Å; A55-F84 HydrophobicContact CB-CE2 3.24Å; A55-F84 HydrophobicContact CB-CZ 3.38Å; A55-R174 CarbonylContact O-C 3.59Å; A55-R174 VanDerWaalsContact O-CA 3.31Å; A55-R174 WeakPolarHBondContact O-CA 3.47Å; A55-L175 HydrophobicContact CB-CD2 4.14Å; A55-L175 PolarHBondContact O-N 2.61Å
56	R	95.5	Very high	85.9	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.008	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-71.4	142.1	-179.2	-60.6	171.8	-177	-81.3	3.8	110.4	M30 H33 I35 S37 Q53 R54 M59 R174	M30-R56 HydrophobicContact CB-CB 4.48Å; M30-R56 HydrophobicContact CB-CG 4.47Å; M30-R56 HydrophobicContact CE-CG 4.33Å; M30-R56 WeakPolarHBondContact O-CB 3.47Å; M30-R56 WeakPolarHBondContact O-CD 3.27Å; M30-R56 WeakPolarHBondContact O-CG 3.33Å; M30-R56 PolarHBondContact O-NH1 2.94Å; H33-R56 VanDerWaalsContact NE2-CD 3.28Å; H33-R56 WeakPolarHBondContact NE2-CD 3.39Å; I35-R56 VanDerWaalsContact O-CZ 3.27Å; I35-R56 PolarHBondContact O-NH1 3.21Å; I35-R56 PolarHBondContact O-NH2 3.13Å; S37-R56 PolarHBondContact OG-NH2 2.89Å; Q53-R56 WeakPolarHBondContact O-CD 3.17Å; Q53-R56 WeakPolarHBondContact O-CG 3.48Å; Q53-R56 PolarHBondContact O-NE 3.45Å; R54-R56 PolarHBondContact O-N 2.78Å; R56-M59 HydrophobicContact CB-CB 4.46Å; R56-M59 HydrophobicContact CB-CE 3.94Å; R56-M59 HydrophobicContact CG-CE 4.23Å; R56-M59 WeakPolarHBondContact O-CB 3.4Å; R56-M59 PolarHBondContact O-N 3.25Å; R56-R174 WeakPolarHBondContact O-CB 3.31Å; R56-R174 WeakPolarHBondContact O-CD 3.36Å; R56-R174 VanDerWaalsContact O-CG 3.27Å; R56-R174 WeakPolarHBondContact O-CG 3.16Å
57	L	95.4	Very high	84.6	Confident	5 Å²	5	54.3 Å²	54.3	3%	0.026	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	145.1	173.8	-169.5	68.4	0	0	0	110.7	E31 M59 V98 Q100 P146 L175 E176	E31-L57 HydrophobicContact CB-CB 4.25Å; E31-L57 WeakPolarHBondContact OE2-CG 3.37Å; L57-M59 PolarHBondContact O-N 2.66Å; L57-V98 HydrophobicContact CD1-CG1 4.16Å; L57-V98 HydrophobicContact CD2-CG1 4.24Å; L57-Q100 HydrophobicContact CD1-CB 3.7Å; L57-Q100 HydrophobicContact CD1-CG 4.45Å; L57-P146 HydrophobicContact CD1-CB 4.4Å; L57-L175 PolarHBondContact N-O 2.99Å; L57-E176 HydrophobicContact CB-CB 4.05Å; L57-E176 HydrophobicContact CD2-CB 3.89Å
58	N	94.4	Very high	83.6	Confident	4 Å²	4	55 Å²	55	2%	0.021	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	9.7	-176.6	-69.7	-52	0	0	0	116.9	E31 Q60 Q100 S325 W327	E31-N58 WeakPolarHBondContact OE1-CB 3.43Å; E31-N58 PolarHBondContact OE1-ND2 3.42Å; E31-N58 WeakPolarHBondContact OE2-CB 3.33Å; E31-N58 PolarHBondContact OE2-ND2 3.07Å; N58-Q60 PolarHBondContact O-N 2.95Å; N58-Q60 PolarHBondContact O-NE2 3.47Å; N58-Q100 PolarHBondContact OD1-NE2 2.79Å; N58-S325 PolarHBondContact ND2-O 3.4Å; N58-W327 HydrophobicContact CB-CE3 4.07Å; N58-W327 PolarHBondContact OD1-N 2.93Å
59	M	92.4	Very high	83.1	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.03	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-51.1	126.2	174.4	178.5	62.6	63.5	0	0	111.8	R54 R56 L57 R174 C550 H551	R54-M59 VanDerWaalsContact CZ-SD 3.51Å; R54-M59 PolarHBondContact NH1-SD 3.21Å; R56-M59 HydrophobicContact CB-CB 4.46Å; R56-M59 HydrophobicContact CB-CE 3.94Å; R56-M59 HydrophobicContact CG-CE 4.23Å; R56-M59 WeakPolarHBondContact O-CB 3.4Å; R56-M59 PolarHBondContact O-N 3.25Å; L57-M59 PolarHBondContact O-N 2.66Å; M59-R174 HydrophobicContact CB-CG 4.32Å; M59-R174 WeakPolarHBondContact O-CD 3.47Å; M59-R174 PolarHBondContact O-NH1 3.35Å; M59-C550 VanDerWaalsContact CE-O 3.27Å; M59-C550 WeakPolarHBondContact CE-O 3.35Å; M59-H551 HydrophobicContact SD-CB 4.35Å
60	Q	90.6	Very high	83	Confident	37 Å²	37	48.6 Å²	48.6	17%	0.173	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-92	133.9	-174.3	-61.8	-63.8	-75.3	0	0	112.4	R54 N58 D103 W327	R54-Q60 PolarHBondContact NH2-O 2.85Å; N58-Q60 PolarHBondContact O-N 2.95Å; N58-Q60 PolarHBondContact O-NE2 3.47Å; Q60-D103 WeakPolarHBondContact CA-OD2 3.19Å; Q60-W327 VanDerWaalsContact CD-CE2 3.42Å; Q60-W327 VanDerWaalsContact CD-NE1 3.32Å; Q60-W327 HydrophobicContact CG-CD2 3.91Å; Q60-W327 HydrophobicContact CG-CE3 4.37Å; Q60-W327 HydrophobicContact CG-CG 4.4Å; Q60-W327 HydrophobicContact CG-CH2 4.07Å; Q60-W327 HydrophobicContact CG-CZ2 3.6Å; Q60-W327 HydrophobicContact CG-CZ3 4.44Å; Q60-W327 VanDerWaalsContact NE2-CG 3.27Å
61	G	87.6	Confident	83	Confident	20 Å²	20	47.6 Å²	47.6	21%	0.206	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-84.8	172.5	177.4	0	0	0	0	0	114.2	R69 D103	G61-R69 CarbonylContact C-O 3.5Å; G61-R69 VanDerWaalsContact CA-O 3.27Å; G61-R69 WeakPolarHBondContact CA-O 3.48Å; G61-D103 PolarHBondContact N-OD2 3.16Å
62	S	80.7	Confident	83.1	Confident	37 Å²	37	47 Å²	47	26%	0.259	24%	0.241	S	C	.	.			trans	-135	151.2	158.6	-167.1	0	0	0	0	109.3	D64 R69	S62-D64 PolarHBondContact OG-N 3.07Å; S62-D64 PolarHBondContact OG-OD2 2.87Å; S62-R69 PolarHBondContact N-O 2.93Å
63	E	63.9	Low	83.2	Confident	90 Å²	90	46.5 Å²	46.5	42%	0.421	24%	0.238	S	C	.	.			trans	-98.5	-5	173	-60.2	-160.8	149	0	0	112.7	E65 L105 N106	E63-E65 PolarHBondContact O-N 2.79Å; E63-E65 VanDerWaalsContact O-N 3.16Å; E63-L105 HydrophobicContact CG-CG 4.45Å; E63-L105 VanDerWaalsContact OE1-CB 3.3Å; E63-L105 WeakPolarHBondContact OE1-CB 3.32Å; E63-L105 PolarHBondContact OE1-N 2.83Å; E63-N106 VanDerWaalsContact CD-ND2 3.28Å; E63-N106 PolarHBondContact OE1-N 3.16Å; E63-N106 PolarHBondContact OE1-ND2 2.86Å; E63-N106 PolarHBondContact OE2-ND2 2.86Å
64	D	68.2	Low	83.4	Confident	95 Å²	95	43.7 Å²	43.7	51%	0.508	23%	0.225	S	C	.	.			trans	-64	113.8	170.1	-62	-46.3	0	0	0	109.9	S62 D66 N67	S62-D64 PolarHBondContact OG-N 3.07Å; S62-D64 PolarHBondContact OG-OD2 2.87Å; D64-D66 PolarHBondContact O-N 3.49Å; D64-D66 VanDerWaalsContact O-N 3.15Å; D64-N67 HydrophobicContact CB-CB 3.97Å; D64-N67 WeakPolarHBondContact CB-ND2 3.11Å; D64-N67 PolarHBondContact O-N 2.78Å; D64-N67 PolarHBondContact OD2-ND2 3.38Å
65	E	58.7	Low	83.6	Confident	198 Å²	198	43.5 Å²	43.5	93%	0.925	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.9	-179.5	-61.7	-175.3	170.7	0	0	113.3	E63 N67	E63-E65 PolarHBondContact O-N 2.79Å; E63-E65 VanDerWaalsContact O-N 3.16Å; E65-N67 VanDerWaalsContact C-N 3.31Å
66	D	60.7	Low	83.5	Confident	159 Å²	159	45.6 Å²	45.6	85%	0.85	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-20.3	175.5	-68.8	-42.3	0	0	0	113.2	D64	D64-D66 PolarHBondContact O-N 3.49Å; D64-D66 VanDerWaalsContact O-N 3.15Å
67	N	65.3	Low	83.4	Confident	63 Å²	63	50.9 Å²	50.9	34%	0.337	28%	0.275	S	S	.	.	S	Bend	trans	-99.7	119.2	-175.6	-72.3	-37.9	0	0	0	110.8	D64 E65 R69	D64-N67 HydrophobicContact CB-CB 3.97Å; D64-N67 WeakPolarHBondContact CB-ND2 3.11Å; D64-N67 PolarHBondContact O-N 2.78Å; D64-N67 PolarHBondContact OD2-ND2 3.38Å; E65-N67 VanDerWaalsContact C-N 3.31Å; N67-R69 PolarHBondContact O-N 2.99Å
68	M	69.2	Low	83.2	Confident	134 Å²	134	58.6 Å²	58.6	66%	0.66	31%	0.311	S	S	*	.			trans	-72.7	42.6	-176.6	-59.4	179.6	178.3	0	0	114.6	Y48	Y48-M68 HydrophobicContact CD1-CB 4.35Å; Y48-M68 HydrophobicContact CD1-CG 4.37Å; Y48-M68 HydrophobicContact CD1-SD 3.55Å; Y48-M68 VanDerWaalsContact CD1-SD 3.55Å; Y48-M68 HydrophobicContact CE1-SD 3.62Å
69	R	76.2	Confident	83.1	Confident	45 Å²	45	61.4 Å²	61.4	17%	0.17	33%	0.326	C	S	.	.			trans	-113.1	65.1	-173.1	-54.6	-166.1	-148.8	141	6.8	113.2	R54 G61 S62 N67 G71 H551 D553	R54-R69 PolarHBondContact NH2-O 2.92Å; G61-R69 CarbonylContact C-O 3.5Å; G61-R69 VanDerWaalsContact CA-O 3.27Å; G61-R69 WeakPolarHBondContact CA-O 3.48Å; S62-R69 PolarHBondContact N-O 2.93Å; N67-R69 PolarHBondContact O-N 2.99Å; R69-G71 PolarHBondContact O-N 2.03Å; R69-H551 VanDerWaalsContact CD-O 3.3Å; R69-H551 WeakPolarHBondContact CD-O 3.17Å; R69-H551 WeakPolarHBondContact CG-O 3.36Å; R69-D553 IonicContact CZ-OD1 2.97Å; R69-D553 IonicContact CZ-OD2 3.01Å; R69-D553 IonicContact NE-OD1 2.65Å; R69-D553 PolarHBondContact NE-OD1 3.32Å; R69-D553 IonicContact NE-OD2 3.64Å; R69-D553 IonicContact NH2-OD1 3.23Å; R69-D553 PolarHBondContact NH2-OD1 3.24Å; R69-D553 IonicContact NH2-OD2 3.81Å; R69-D553 PolarHBondContact NH2-OD2 3.22Å
70	G	84.6	Confident	82.9	Confident	5 Å²	5	72.5 Å²	72.5	5%	0.052	37%	0.367	C	S	.	.			trans	-69.9	125	173.5	0	0	0	0	0	111.6	A49 F50 R54 A72	A49-G70 WeakPolarHBondContact O-CA 3.45Å; A49-G70 PolarHBondContact O-N 2.86Å; F50-G70 VanDerWaalsContact CE1-CA 3.43Å; R54-G70 PolarHBondContact NE-O 2.89Å; R54-G70 VanDerWaalsContact NH2-C 3.33Å; R54-G70 PolarHBondContact NH2-O 3.14Å; G70-A72 PolarHBondContact O-N 3.05Å
71	G	91.1	Very high	82.9	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.01	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-69.1	20.5	-169.1	0	0	0	0	0	118.4	R69 D103 R174	R69-G71 PolarHBondContact O-N 2.03Å; G71-D103 WeakPolarHBondContact CA-O 3.35Å; G71-D103 PolarHBondContact O-N 2.97Å; G71-R174 WeakPolarHBondContact O-CD 3.49Å
72	A	95.3	Very high	83.3	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	39%	0.385	C	S	.	.	S	Bend	trans	-166.9	170.1	173.1	0	0	0	0	0	110	F50 R54 G70 R102 C172 R174	F50-A72 WeakPolarHBondContact CA-O 3.25Å; R54-A72 VanDerWaalsContact CB-C 3.42Å; R54-A72 VanDerWaalsContact CB-O 3.25Å; R54-A72 WeakPolarHBondContact CB-O 3.05Å; R54-A72 CarbonylContact O-C 3.6Å; R54-A72 WeakPolarHBondContact O-CA 3.36Å; G70-A72 PolarHBondContact O-N 3.05Å; A72-R102 HydrophobicContact CB-CB 3.83Å; A72-R102 HydrophobicContact CB-CG 4.02Å; A72-C172 HydrophobicContact CB-CB 3.94Å; A72-R174 HydrophobicContact CB-CG 4.11Å
73	W	96.6	Very high	84.1	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	137.5	152.3	163.8	67.2	0	0	0	108.5	A42 S44 F50 R54 A55 A75 F84 L171 C172 M173	A42-W73 HydrophobicContact CB-CD2 4.4Å; A42-W73 HydrophobicContact CB-CZ2 3.72Å; S44-W73 PolarHBondContact O-NE1 2.96Å; F50-W73 WeakPolarHBondContact O-CA 3.35Å; F50-W73 VanDerWaalsContact O-CD1 3.28Å; R54-W73 PolarHBondContact O-N 2.8Å; A55-W73 HydrophobicContact CB-CB 3.61Å; W73-A75 HydrophobicContact CH2-CB 4.2Å; W73-A75 HydrophobicContact CZ2-CB 3.76Å; W73-F84 AromaticContact CD2-CD2 3.83Å; W73-F84 HydrophobicContact CD2-CD2 3.83Å; W73-F84 HydrophobicContact CE3-CB 4.05Å; W73-F84 AromaticContact CE3-CD2 3.83Å; W73-F84 HydrophobicContact CE3-CD2 3.83Å; W73-F84 HydrophobicContact CE3-CG 4.29Å; W73-F84 HydrophobicContact CG-CD2 4.14Å; W73-F84 HydrophobicContact CG-CE2 4.44Å; W73-F84 HydrophobicContact CH2-CB 4.14Å; W73-F84 HydrophobicContact CZ3-CB 3.76Å; W73-F84 HydrophobicContact CZ3-CD2 4.37Å; W73-F84 HydrophobicContact CZ3-CG 4.49Å; W73-L171 HydrophobicContact CH2-CD2 4.02Å; W73-L171 HydrophobicContact CZ3-CD2 3.95Å; W73-C172 CarbonylContact O-C 3.54Å; W73-C172 WeakPolarHBondContact O-CA 3.49Å; W73-M173 HydrophobicContact CE3-CG 3.55Å; W73-M173 HydrophobicContact CE3-SD 4.14Å; W73-M173 HydrophobicContact CZ3-CG 3.76Å; W73-M173 HydrophobicContact CZ3-SD 3.79Å; W73-M173 PolarHBondContact N-O 3.17Å; W73-M173 PolarHBondContact O-N 2.97Å
74	C	96.1	Very high	85.7	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.02	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	128.5	174	-55.6	0	0	0	0	110.2	M45 S46 F50 L171 C172	M45-C74 CarbonylContact C-O 3.53Å; M45-C74 VanDerWaalsContact CA-O 3.31Å; M45-C74 WeakPolarHBondContact CA-O 3.43Å; S46-C74 PolarHBondContact N-O 3.48Å; F50-C74 HydrophobicContact CB-CB 3.75Å; F50-C74 HydrophobicContact CD1-CB 4.14Å; F50-C74 WeakPolarHBondContact CD1-SG 3.35Å; F50-C74 HydrophobicContact CG-CB 3.93Å; F50-C74 PolarHBondContact O-N 3.15Å; C74-L171 CarbonylContact C-O 3.51Å; C74-L171 WeakPolarHBondContact CA-O 3.34Å; C74-C172 HydrophobicContact CB-CB 4.07Å; C74-C172 WeakPolarHBondContact CB-SG 3.41Å; C74-C172 WeakPolarHBondContact SG-CB 3.45Å; C74-C172 CovalentContact SG-SG 2.04Å; C74-C172 PolarHBondContact SG-SG 3.38Å
75	A	96.7	Very high	87.1	Confident	9 Å²	9	69.4 Å²	69.4	7%	0.074	34%	0.341	C	S	.	.			trans	-73.3	158.8	-179.7	0	0	0	0	0	112.3	W73 H82 L171	W73-A75 HydrophobicContact CH2-CB 4.2Å; W73-A75 HydrophobicContact CZ2-CB 3.76Å; A75-H82 HydrophobicContact CB-CB 4.43Å; A75-L171 HydrophobicContact CB-CB 4.35Å; A75-L171 HydrophobicContact CB-CD1 4.04Å; A75-L171 HydrophobicContact CB-CD2 4Å; A75-L171 HydrophobicContact CB-CG 4.36Å; A75-L171 PolarHBondContact N-O 3.05Å
76	N	95.3	Very high	89	Confident	45 Å²	45	60 Å²	60	24%	0.241	30%	0.297	C	S	.	.			trans	-71.2	133	169	-179.9	10.1	0	0	0	109.9	S44 E78 D79 H82	S44-N76 PolarHBondContact OG-N 3.25Å; N76-E78 VanDerWaalsContact C-N 3.3Å; N76-E78 PolarHBondContact O-N 2.92Å; N76-E78 PolarHBondContact OD1-N 2.8Å; N76-D79 PolarHBondContact O-N 3.03Å; N76-H82 PolarHBondContact O-CE1 2.99Å; N76-H82 VanDerWaalsContact O-CE1 3.31Å
77	S	92.6	Very high	90.7	Very high	113 Å²	113	53.2 Å²	53.2	79%	0.79	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-14.1	-178.1	55	0	0	0	0	114.3
78	E	91.8	Very high	92.1	Very high	166 Å²	166	50.9 Å²	50.9	78%	0.776	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-19.4	175.5	-60.5	-169.8	148.3	0	0	113.2	N76	N76-E78 VanDerWaalsContact C-N 3.3Å; N76-E78 PolarHBondContact O-N 2.92Å; N76-E78 PolarHBondContact OD1-N 2.8Å
79	D	91.1	Very high	93.3	Very high	63 Å²	63	50.1 Å²	50.1	34%	0.337	24%	0.239	S	C	.	.			trans	-74.7	156.6	178.5	-70.2	-45.5	0	0	0	112.3	S44 N76 H82	S44-D79 WeakPolarHBondContact CB-OD2 3.15Å; S44-D79 PolarHBondContact OG-OD2 3.21Å; N76-D79 PolarHBondContact O-N 3.03Å; D79-H82 PolarHBondContact O-CE1 2.94Å; D79-H82 PolarHBondContact O-NE2 3Å
80	R	88.8	Confident	94	Very high	240 Å²	240	54.2 Å²	54.2	91%	0.906	26%	0.255	S	S	*	.	S	Bend	trans	-111	-6.4	179.2	-59.7	-176.1	-176.8	-175	0.6	114.2
81	I	91.1	Very high	94.4	Very high	127 Å²	127	58.4 Å²	58.4	65%	0.651	27%	0.273	S	S	*	.			trans	-136.2	107.7	-176	-56.1	178.5	0	0	0	106.2	S43	S43-I81 WeakPolarHBondContact CB-O 3.41Å
82	H	96.1	Very high	94.6	Very high	20 Å²	20	58.3 Å²	58.3	9%	0.093	27%	0.273	C	S	.	.			trans	-108.9	133.9	-179.2	-47.9	-65.4	0	0	0	109.9	S43 A75 N76 D79 W167 L171	S43-H82 WeakPolarHBondContact OG-CA 3.25Å; A75-H82 HydrophobicContact CB-CB 4.43Å; N76-H82 PolarHBondContact O-CE1 2.99Å; N76-H82 VanDerWaalsContact O-CE1 3.31Å; D79-H82 PolarHBondContact O-CE1 2.94Å; D79-H82 PolarHBondContact O-NE2 3Å; H82-W167 AromaticContact CD2-CH2 3.8Å; H82-W167 AromaticContact NE2-CH2 3.91Å; H82-L171 HydrophobicContact CB-CD1 3.5Å; H82-L171 WeakPolarHBondContact CD2-CD1 3.49Å
83	W	96.7	Very high	94.6	Very high	54 Å²	54	61.7 Å²	61.7	21%	0.205	29%	0.288	C	S	.	.			trans	-153.3	151.6	173	55.2	-98.8	0	0	0	111.5	A42 S43 E85 R161 I162 I163	A42-W83 VanDerWaalsContact C-CZ3 3.46Å; A42-W83 CarbonylContact C-O 3.31Å; A42-W83 VanDerWaalsContact CA-O 3.27Å; A42-W83 WeakPolarHBondContact CA-O 3.42Å; A42-W83 WeakPolarHBondContact CB-O 3.44Å; S43-W83 PolarHBondContact N-O 2.93Å; S43-W83 PolarHBondContact OG-N 2.98Å; S43-W83 VanDerWaalsContact OG-N 3.15Å; S43-W83 PolarHBondContact OG-O 2.91Å; W83-E85 HydrophobicContact CE3-CB 3.76Å; W83-E85 HydrophobicContact CZ3-CB 3.63Å; W83-R161 HydrophobicContact CB-CG 3.69Å; W83-R161 VanDerWaalsContact CD2-CZ 3.48Å; W83-R161 HydrophobicContact CE3-CG 4.43Å; W83-R161 HydrophobicContact CG-CG 4.28Å; W83-I162 VanDerWaalsContact CA-O 3.28Å; W83-I162 WeakPolarHBondContact CA-O 3.27Å; W83-I163 HydrophobicContact CB-CG1 4.45Å
84	F	97.9	Very high	94.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.2	168.9	-173.6	-88.4	0	0	0	109	M30 L40 A42 P52 A55 W73 V86 R161 I162 L175	M30-F84 HydrophobicContact CE-CE1 3.98Å; M30-F84 HydrophobicContact CE-CZ 4.05Å; L40-F84 HydrophobicContact CB-CZ 4.16Å; L40-F84 HydrophobicContact CD2-CE1 4.21Å; L40-F84 HydrophobicContact CD2-CZ 4Å; L40-F84 HydrophobicContact CG-CZ 4.47Å; A42-F84 HydrophobicContact CB-CD2 4.07Å; P52-F84 HydrophobicContact CB-CE2 3.77Å; P52-F84 WeakPolarHBondContact O-CE2 3.34Å; A55-F84 HydrophobicContact CB-CD2 3.91Å; A55-F84 HydrophobicContact CB-CE1 4.13Å; A55-F84 HydrophobicContact CB-CE2 3.24Å; A55-F84 HydrophobicContact CB-CZ 3.38Å; W73-F84 AromaticContact CD2-CD2 3.83Å; W73-F84 HydrophobicContact CD2-CD2 3.83Å; W73-F84 HydrophobicContact CE3-CB 4.05Å; W73-F84 AromaticContact CE3-CD2 3.83Å; W73-F84 HydrophobicContact CE3-CD2 3.83Å; W73-F84 HydrophobicContact CE3-CG 4.29Å; W73-F84 HydrophobicContact CG-CD2 4.14Å; W73-F84 HydrophobicContact CG-CE2 4.44Å; W73-F84 HydrophobicContact CH2-CB 4.14Å; W73-F84 HydrophobicContact CZ3-CB 3.76Å; W73-F84 HydrophobicContact CZ3-CD2 4.37Å; W73-F84 HydrophobicContact CZ3-CG 4.49Å; F84-V86 HydrophobicContact CD1-CG2 4.22Å; F84-V86 HydrophobicContact CE1-CG2 3.67Å; F84-R161 CarbonylContact O-C 3.53Å; F84-R161 VanDerWaalsContact O-CA 3.22Å; F84-R161 WeakPolarHBondContact O-CA 3.22Å; F84-R161 WeakPolarHBondContact O-CG 3.47Å; F84-I162 HydrophobicContact CD1-CD1 4.38Å; F84-I162 PolarHBondContact N-O 2.84Å; F84-I162 PolarHBondContact O-N 3.4Å; F84-L175 HydrophobicContact CD1-CD2 3.61Å; F84-L175 HydrophobicContact CE1-CD1 4.4Å; F84-L175 HydrophobicContact CE1-CD2 3.83Å; F84-L175 HydrophobicContact CG-CD2 4.13Å
85	E	97.1	Very high	94.5	Very high	13 Å²	13	61.6 Å²	61.6	6%	0.061	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.1	-171.2	177.9	174.2	139.5	0	0	112.4	T41 W83 W125 Y159 I160 R161	T41-E85 PolarHBondContact N-O 3.49Å; T41-E85 PolarHBondContact O-N 2.78Å; W83-E85 HydrophobicContact CE3-CB 3.76Å; W83-E85 HydrophobicContact CZ3-CB 3.63Å; E85-W125 HydrophobicContact CG-CH2 3.97Å; E85-W125 HydrophobicContact CG-CZ2 4.45Å; E85-W125 WeakPolarHBondContact OE2-CH2 3.3Å; E85-W125 WeakPolarHBondContact OE2-CZ2 3.46Å; E85-Y159 HydrophobicContact CG-CD1 4.5Å; E85-I160 WeakPolarHBondContact CA-O 3.45Å; E85-R161 IonicContact OE2-CZ 3.7Å; E85-R161 VanDerWaalsContact OE2-CZ 3.23Å; E85-R161 IonicContact OE2-NE 3.78Å; E85-R161 PolarHBondContact OE2-NE 3.3Å; E85-R161 IonicContact OE2-NH2 2.66Å; E85-R161 PolarHBondContact OE2-NH2 3.35Å
86	V	98.2	Very high	94.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.1	176.7	-177.6	0	0	0	0	109.5	M30 I35 Q39 L40 F84 Y159 I160 V177	M30-V86 HydrophobicContact SD-CG2 4.14Å; I35-V86 HydrophobicContact CD1-CG1 3.94Å; I35-V86 HydrophobicContact CG2-CG1 4.31Å; Q39-V86 WeakPolarHBondContact O-CA 3.29Å; L40-V86 HydrophobicContact CD2-CG1 4.38Å; L40-V86 HydrophobicContact CD2-CG2 3.98Å; F84-V86 HydrophobicContact CD1-CG2 4.22Å; F84-V86 HydrophobicContact CE1-CG2 3.67Å; V86-Y159 WeakPolarHBondContact O-CA 3.35Å; V86-I160 HydrophobicContact CB-CG2 3.88Å; V86-I160 HydrophobicContact CG2-CG2 4.47Å; V86-I160 PolarHBondContact N-O 3.04Å; V86-I160 PolarHBondContact O-N 2.93Å; V86-V177 HydrophobicContact CG2-CG2 4.23Å
87	D	97.3	Very high	94.5	Very high	17 Å²	17	59.1 Å²	59.1	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	110.6	167.4	-178.9	4	0	0	0	110	Q39 R89 R158 Y159	Q39-D87 HydrophobicContact CB-CB 4.44Å; Q39-D87 PolarHBondContact NE2-O 2.9Å; Q39-D87 PolarHBondContact O-N 2.8Å; D87-R89 PolarHBondContact O-N 3.19Å; D87-R89 VanDerWaalsContact OD1-CA 3.29Å; D87-R89 WeakPolarHBondContact OD1-CA 3.49Å; D87-R89 PolarHBondContact OD1-N 3.25Å; D87-R158 IonicContact OD1-CZ 2.72Å; D87-R158 IonicContact OD1-NE 2.75Å; D87-R158 PolarHBondContact OD1-NE 2.66Å; D87-R158 IonicContact OD1-NH2 2.76Å; D87-R158 PolarHBondContact OD1-NH2 3.26Å; D87-R158 IonicContact OD2-CZ 3.84Å; D87-R158 IonicContact OD2-NE 3.59Å; D87-R158 IonicContact OD2-NH2 3.18Å; D87-R158 PolarHBondContact OD2-NH2 2.93Å; D87-Y159 HydrophobicContact CB-CD1 3.87Å; D87-Y159 HydrophobicContact CB-CE1 3.56Å; D87-Y159 VanDerWaalsContact CG-CE1 3.46Å
88	A	95.2	Very high	94.8	Very high	13 Å²	13	53.7 Å²	53.7	11%	0.107	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	1.7	176.4	0	0	0	0	0	113.9	R90 T92 F94 R158	A88-R90 PolarHBondContact O-N 2.8Å; A88-T92 HydrophobicContact CB-CG2 4.48Å; A88-T92 WeakPolarHBondContact CB-OG1 3.5Å; A88-F94 HydrophobicContact CB-CE1 4.42Å; A88-F94 HydrophobicContact CB-CZ 3.98Å; A88-R158 VanDerWaalsContact CB-O 3.28Å; A88-R158 WeakPolarHBondContact CB-O 3.38Å; A88-R158 PolarHBondContact N-O 2.77Å
89	R	93.1	Very high	95.1	Very high	118 Å²	118	45.8 Å²	45.8	45%	0.445	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	63.8	-27.6	-175.6	-56.5	-66.7	-159.5	176.4	5.2	116	D38 Q39 D87	D38-R89 IonicContact OD1-CZ 2.88Å; D38-R89 IonicContact OD1-NH2 3.94Å; D38-R89 PolarHBondContact OD1-NH2 3.28Å; D38-R89 IonicContact OD2-CZ 3.08Å; D38-R89 IonicContact OD2-NH1 2.65Å; D38-R89 IonicContact OD2-NH2 2.85Å; D38-R89 PolarHBondContact OD2-NH2 2.8Å; Q39-R89 HydrophobicContact CG-CG 4.15Å; Q39-R89 VanDerWaalsContact CG-NE 3.27Å; D87-R89 PolarHBondContact O-N 3.19Å; D87-R89 VanDerWaalsContact OD1-CA 3.29Å; D87-R89 WeakPolarHBondContact OD1-CA 3.49Å; D87-R89 PolarHBondContact OD1-N 3.25Å
90	R	91	Very high	95.4	Very high	131 Å²	131	43 Å²	43	49%	0.494	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	158.7	-179	51.7	179.7	167.6	172.8	3.3	109.9	A88 T92 P181	A88-R90 PolarHBondContact O-N 2.8Å; R90-T92 PolarHBondContact O-N 2.78Å; R90-T92 PolarHBondContact O-OG1 3.23Å; R90-P181 HydrophobicContact CG-CB 4.09Å; R90-P181 VanDerWaalsContact CZ-CB 3.41Å
91	E	93.1	Very high	95.7	Very high	93 Å²	93	31.5 Å²	31.5	44%	0.435	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	129.5	173.9	-65	-169.3	157.4	0	0	109.9	N120 L156 V182	E91-N120 PolarHBondContact OE1-ND2 3.35Å; E91-L156 HydrophobicContact CB-CD1 4.14Å; E91-V182 PolarHBondContact O-N 3.3Å
92	T	94.6	Very high	95.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	132	-168.8	-63.1	0	0	0	0	108.6	L28 A88 R90 F94 A157 P181	L28-T92 HydrophobicContact CD1-CG2 4.17Å; L28-T92 HydrophobicContact CD2-CG2 4.08Å; A88-T92 HydrophobicContact CB-CG2 4.48Å; A88-T92 WeakPolarHBondContact CB-OG1 3.5Å; R90-T92 PolarHBondContact O-N 2.78Å; R90-T92 PolarHBondContact O-OG1 3.23Å; T92-F94 HydrophobicContact CG2-CD1 4.26Å; T92-F94 HydrophobicContact CG2-CE1 4.12Å; T92-F94 HydrophobicContact CG2-CZ 4.33Å; T92-F94 WeakPolarHBondContact O-CD2 3.17Å; T92-F94 PolarHBondContact O-N 3.35Å; T92-A157 PolarHBondContact N-O 2.9Å; T92-A157 PolarHBondContact O-N 3.46Å; T92-P181 HydrophobicContact CG2-CG 4.47Å
93	E	95.3	Very high	95.8	Very high	70 Å²	70	28.1 Å²	28.1	33%	0.327	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	98.1	172.1	179.4	172.3	-161.5	0	0	108	P154 G179 C180	E93-P154 HydrophobicContact CG-CB 3.36Å; E93-P154 HydrophobicContact CG-CG 4.29Å; E93-P154 VanDerWaalsContact OE1-CB 3.23Å; E93-P154 WeakPolarHBondContact OE1-CB 3.31Å; E93-P154 WeakPolarHBondContact OE1-CG 3.39Å; E93-G179 CarbonylContact O-C 3.53Å; E93-G179 WeakPolarHBondContact O-CA 3.27Å; E93-C180 HydrophobicContact CB-CB 4.36Å; E93-C180 PolarHBondContact N-O 3.46Å; E93-C180 PolarHBondContact O-N 3.47Å
94	F	96.3	Very high	95.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	136.9	178.5	-64.9	-76.5	0	0	0	110.5	L28 A88 T92 F118 P154 V155 A157 I160 V177	L28-F94 HydrophobicContact CD1-CD1 4.18Å; L28-F94 HydrophobicContact CD1-CE1 3.72Å; A88-F94 HydrophobicContact CB-CE1 4.42Å; A88-F94 HydrophobicContact CB-CZ 3.98Å; T92-F94 HydrophobicContact CG2-CD1 4.26Å; T92-F94 HydrophobicContact CG2-CE1 4.12Å; T92-F94 HydrophobicContact CG2-CZ 4.33Å; T92-F94 WeakPolarHBondContact O-CD2 3.17Å; T92-F94 PolarHBondContact O-N 3.35Å; F94-F118 HydrophobicContact CB-CE1 3.7Å; F94-F118 HydrophobicContact CB-CZ 4.49Å; F94-F118 AromaticContact CD2-CD1 3.73Å; F94-F118 HydrophobicContact CD2-CD1 3.73Å; F94-F118 AromaticContact CD2-CE1 3.73Å; F94-F118 HydrophobicContact CD2-CE1 3.73Å; F94-F118 HydrophobicContact CE2-CD1 4.27Å; F94-F118 HydrophobicContact CG-CD1 4.31Å; F94-F118 AromaticContact CG-CE1 3.83Å; F94-F118 HydrophobicContact CG-CE1 3.83Å; F94-P154 VanDerWaalsContact O-CA 3.29Å; F94-P154 WeakPolarHBondContact O-CA 3.39Å; F94-V155 PolarHBondContact N-O 3.06Å; F94-V155 PolarHBondContact O-N 3.39Å; F94-A157 HydrophobicContact CD2-CB 4.14Å; F94-A157 HydrophobicContact CE2-CB 3.92Å; F94-A157 WeakPolarHBondContact CE2-O 3.32Å; F94-I160 HydrophobicContact CD1-CB 4.25Å; F94-I160 HydrophobicContact CD1-CD1 4.27Å; F94-I160 HydrophobicContact CD1-CG2 4.19Å; F94-I160 HydrophobicContact CE1-CB 3.95Å; F94-I160 HydrophobicContact CE1-CG2 3.62Å; F94-I160 HydrophobicContact CE2-CB 4.23Å; F94-I160 HydrophobicContact CG-CD1 4.49Å; F94-I160 HydrophobicContact CZ-CB 3.93Å; F94-I160 HydrophobicContact CZ-CG2 3.9Å; F94-V177 HydrophobicContact CD1-CG1 3.61Å; F94-V177 HydrophobicContact CE1-CG1 3.82Å
95	T	95.8	Very high	94.9	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	-11.6	-173.8	62.6	0	0	0	0	114.3	A23 C25 R150 L151 P154 L178	A23-T95 HydrophobicContact CB-CG2 4.49Å; A23-T95 WeakPolarHBondContact O-CG2 3.49Å; C25-T95 HydrophobicContact CB-CG2 3.91Å; C25-T95 WeakPolarHBondContact SG-CG2 3.48Å; T95-R150 WeakPolarHBondContact O-CA 3.24Å; T95-L151 PolarHBondContact O-N 2.89Å; T95-P154 HydrophobicContact CG2-CB 4.07Å; T95-P154 HydrophobicContact CG2-CG 4.17Å; T95-L178 PolarHBondContact N-O 3.13Å; T95-L178 WeakPolarHBondContact OG1-CB 3.43Å; T95-L178 PolarHBondContact OG1-O 2.89Å
96	G	95.3	Very high	94.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.7	174	176.1	0	0	0	0	0	114.2	N149 L178	G96-N149 CarbonylContact C-O 3.57Å; G96-N149 WeakPolarHBondContact CA-O 3.48Å; G96-L178 PolarHBondContact O-N 2.73Å
97	V	96.9	Very high	93.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.1	175	179.2	0	0	0	0	108.4	T99 L116 N149 I160 I162 L175 E176	V97-T99 HydrophobicContact CG1-CG2 3.97Å; V97-L116 HydrophobicContact CG2-CD1 4.12Å; V97-L116 HydrophobicContact CG2-CD2 4.02Å; V97-N149 PolarHBondContact N-O 3.1Å; V97-N149 PolarHBondContact O-N 2.71Å; V97-I160 HydrophobicContact CG2-CD1 3.76Å; V97-I162 HydrophobicContact CG1-CG1 4.45Å; V97-L175 HydrophobicContact CG1-CB 4.46Å; V97-E176 WeakPolarHBondContact CA-O 3.46Å
98	V	97.4	Very high	93.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.4	167	-171.7	0	0	0	0	107.7	L57 P146 V147 M148 L175 E176 M324	L57-V98 HydrophobicContact CD1-CG1 4.16Å; L57-V98 HydrophobicContact CD2-CG1 4.24Å; V98-P146 HydrophobicContact CG1-CB 3.76Å; V98-V147 CarbonylContact C-O 3.59Å; V98-V147 WeakPolarHBondContact CA-O 3.15Å; V98-M148 HydrophobicContact CG2-CB 4.09Å; V98-M148 HydrophobicContact CG2-CE 3.96Å; V98-M148 HydrophobicContact CG2-CG 4.12Å; V98-L175 CarbonylContact O-C 3.6Å; V98-L175 WeakPolarHBondContact O-CA 3.3Å; V98-L175 VanDerWaalsContact O-CB 3.28Å; V98-L175 WeakPolarHBondContact O-CB 3.17Å; V98-E176 HydrophobicContact CB-CB 4.22Å; V98-E176 HydrophobicContact CG2-CB 4.49Å; V98-E176 PolarHBondContact N-O 3.12Å; V98-E176 PolarHBondContact O-N 2.78Å; V98-M324 HydrophobicContact CG1-SD 4.42Å
99	T	97.8	Very high	93.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	150.6	175.3	62.4	0	0	0	0	111.7	V97 Y114 N140 P146 V147 M173 R174	V97-T99 HydrophobicContact CG1-CG2 3.97Å; T99-Y114 HydrophobicContact CG2-CD1 4.47Å; T99-Y114 HydrophobicContact CG2-CE1 3.68Å; T99-N140 VanDerWaalsContact C-OD1 3.24Å; T99-N140 VanDerWaalsContact CB-OD1 3.26Å; T99-N140 WeakPolarHBondContact CB-OD1 3.23Å; T99-N140 PolarHBondContact O-ND2 2.85Å; T99-N140 PolarHBondContact O-OD1 3.07Å; T99-N140 PolarHBondContact OG1-OD1 3.13Å; T99-P146 CarbonylContact O-C 3.52Å; T99-P146 WeakPolarHBondContact O-CA 3.25Å; T99-V147 PolarHBondContact N-O 2.9Å; T99-V147 PolarHBondContact O-N 3.15Å; T99-M173 HydrophobicContact CG2-CE 4.01Å; T99-R174 CarbonylContact C-O 3.57Å; T99-R174 WeakPolarHBondContact CA-O 3.49Å
100	Q	97.4	Very high	94	Very high	3 Å²	3	39.3 Å²	39.3	1%	0.014	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	149.7	178.3	-169	-174.8	38	0	0	108.7	L57 N58 N140 D144 R174	L57-Q100 HydrophobicContact CD1-CB 3.7Å; L57-Q100 HydrophobicContact CD1-CG 4.45Å; N58-Q100 PolarHBondContact OD1-NE2 2.79Å; Q100-N140 WeakPolarHBondContact CA-ND2 3.27Å; Q100-N140 PolarHBondContact N-OD1 3.28Å; Q100-D144 PolarHBondContact NE2-O 2.95Å; Q100-R174 HydrophobicContact CB-CB 4.09Å; Q100-R174 VanDerWaalsContact CD-CZ 3.48Å; Q100-R174 VanDerWaalsContact CD-NH2 3.34Å; Q100-R174 PolarHBondContact N-O 2.88Å; Q100-R174 PolarHBondContact O-N 3.06Å; Q100-R174 VanDerWaalsContact O-O 3.14Å
101	G	96.7	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.			trans	-76.6	-173.7	176.7	0	0	0	0	0	113.4	D109 K143 R174	G101-D109 WeakPolarHBondContact CA-O 3.45Å; G101-K143 CarbonylContact C-O 3.39Å; G101-K143 VanDerWaalsContact C-O 3.31Å; G101-K143 VanDerWaalsContact CA-O 3.28Å; G101-K143 WeakPolarHBondContact CA-O 3.37Å; G101-K143 PolarHBondContact N-O 3.23Å; G101-K143 VanDerWaalsContact N-O 3.13Å; G101-R174 PolarHBondContact O-NE 3.04Å; G101-R174 PolarHBondContact O-NH2 3.42Å
102	R	95.4	Very high	94.6	Very high	43 Å²	43	30.5 Å²	30.5	16%	0.162	16%	0.16	C	C	.	.			trans	-72.8	138.3	179	178.1	-176.2	167.7	-173.1	-3.3	112.5	A72 A104 D109 C172	A72-R102 HydrophobicContact CB-CB 3.83Å; A72-R102 HydrophobicContact CB-CG 4.02Å; R102-A104 HydrophobicContact CG-CB 4.38Å; R102-A104 PolarHBondContact O-N 3.42Å; R102-D109 HydrophobicContact CB-CB 3.96Å; R102-D109 WeakPolarHBondContact CD-OD2 3.26Å; R102-D109 IonicContact CZ-OD2 2.82Å; R102-D109 PolarHBondContact N-O 3.19Å; R102-D109 IonicContact NE-OD2 3.96Å; R102-D109 IonicContact NH1-OD2 2.73Å; R102-D109 PolarHBondContact NH1-OD2 2.9Å; R102-C172 HydrophobicContact CB-CB 3.94Å
103	D	93.6	Very high	94.7	Very high	33 Å²	33	30.9 Å²	30.9	18%	0.176	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-78.5	117	163.3	-171.3	40.9	0	0	0	111.7	Q60 G61 G71	Q60-D103 WeakPolarHBondContact CA-OD2 3.19Å; G61-D103 PolarHBondContact N-OD2 3.16Å; G71-D103 WeakPolarHBondContact CA-O 3.35Å; G71-D103 PolarHBondContact O-N 2.97Å
104	A	89.9	Confident	94.9	Very high	7 Å²	7	27.6 Å²	27.6	6%	0.058	15%	0.147	C	C	.	.			trans	-162.6	155.1	178.4	0	0	0	0	0	108.5	R102 E107 K143	R102-A104 HydrophobicContact CG-CB 4.38Å; R102-A104 PolarHBondContact O-N 3.42Å; A104-E107 HydrophobicContact CB-CB 3.94Å; A104-K143 WeakPolarHBondContact O-CE 3.34Å; A104-K143 PolarHBondContact O-NZ 3.44Å; A104-K143 VanDerWaalsContact O-NZ 3.14Å
105	L	84.6	Confident	94.9	Very high	144 Å²	144	29.6 Å²	29.6	75%	0.754	16%	0.156	S	C	*	.	S	Bend	trans	-85.7	-39.1	175.5	-53.7	176.2	0	0	0	111	E63	E63-L105 HydrophobicContact CG-CG 4.45Å; E63-L105 VanDerWaalsContact OE1-CB 3.3Å; E63-L105 WeakPolarHBondContact OE1-CB 3.32Å; E63-L105 PolarHBondContact OE1-N 2.83Å
106	N	85.5	Confident	95	Very high	129 Å²	129	29.6 Å²	29.6	69%	0.69	16%	0.156	S	C	*	.	S	Bend	trans	-101.9	-20.8	-171.7	-61	-73.6	0	0	0	114.8	E63	E63-N106 VanDerWaalsContact CD-ND2 3.28Å; E63-N106 PolarHBondContact OE1-N 3.16Å; E63-N106 PolarHBondContact OE1-ND2 2.86Å; E63-N106 PolarHBondContact OE2-ND2 2.86Å
107	E	89.8	Confident	95.1	Very high	101 Å²	101	29.6 Å²	29.6	47%	0.472	16%	0.156	S	C	.	.			trans	-104.7	151.6	-177.3	-64.7	-69.2	-173.2	0	0	112.2	A104 K143	A104-E107 HydrophobicContact CB-CB 3.94Å; E107-K143 VanDerWaalsContact O-CD 3.3Å; E107-K143 WeakPolarHBondContact O-CD 3.41Å
108	S	93.8	Very high	95.1	Very high	54 Å²	54	30.1 Å²	30.1	38%	0.378	16%	0.158	S	C	.	.			trans	-129.2	59	-179.9	-162.7	0	0	0	0	111	F110 N168	S108-F110 WeakPolarHBondContact O-CD1 3.28Å; S108-N168 PolarHBondContact O-ND2 2.88Å
109	D	96.3	Very high	95.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.			trans	-86.4	122.9	-178.5	-56	-46	0	0	0	111	G101 R102 N168 S170 C172	G101-D109 WeakPolarHBondContact CA-O 3.45Å; R102-D109 HydrophobicContact CB-CB 3.96Å; R102-D109 WeakPolarHBondContact CD-OD2 3.26Å; R102-D109 IonicContact CZ-OD2 2.82Å; R102-D109 PolarHBondContact N-O 3.19Å; R102-D109 IonicContact NE-OD2 3.96Å; R102-D109 IonicContact NH1-OD2 2.73Å; R102-D109 PolarHBondContact NH1-OD2 2.9Å; D109-N168 WeakPolarHBondContact CA-O 3.31Å; D109-S170 WeakPolarHBondContact OD1-CB 3.47Å; D109-S170 PolarHBondContact OD1-N 3.03Å; D109-S170 PolarHBondContact OD1-OG 2.89Å; D109-C172 HydrophobicContact CB-CB 3.64Å
110	F	97.7	Very high	95	Very high	14 Å²	14	34.5 Å²	34.5	6%	0.061	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	147.5	176.4	56.9	-89.3	0	0	0	114	S108 T112 N140 N141 K143 W167 N168 C172	S108-F110 WeakPolarHBondContact O-CD1 3.28Å; F110-T112 HydrophobicContact CD2-CG2 3.76Å; F110-T112 HydrophobicContact CE2-CG2 3.57Å; F110-N140 HydrophobicContact CB-CB 4.3Å; F110-N140 HydrophobicContact CD2-CB 4.02Å; F110-N140 WeakPolarHBondContact CD2-O 3.34Å; F110-N140 WeakPolarHBondContact CE2-O 3.43Å; F110-N140 HydrophobicContact CG-CB 4.47Å; F110-N141 VanDerWaalsContact CE2-C 3.42Å; F110-N141 VanDerWaalsContact CZ-C 3.49Å; F110-N141 VanDerWaalsContact CZ-O 3.28Å; F110-N141 WeakPolarHBondContact CZ-O 3.47Å; F110-K143 HydrophobicContact CD1-CB 4.36Å; F110-W167 CarbonylContact O-C 3.48Å; F110-W167 WeakPolarHBondContact O-CA 3.46Å; F110-W167 VanDerWaalsContact O-CB 3.24Å; F110-W167 WeakPolarHBondContact O-CB 3.37Å; F110-N168 HydrophobicContact CD1-CB 4.08Å; F110-N168 HydrophobicContact CD2-CB 4.22Å; F110-N168 HydrophobicContact CE1-CB 3.69Å; F110-N168 HydrophobicContact CE2-CB 3.85Å; F110-N168 HydrophobicContact CG-CB 4.34Å; F110-N168 HydrophobicContact CZ-CB 3.56Å; F110-N168 PolarHBondContact N-O 2.78Å; F110-N168 VanDerWaalsContact N-O 3.15Å; F110-N168 PolarHBondContact O-N 2.93Å; F110-C172 WeakPolarHBondContact CA-O 3.21Å
111	V	98.2	Very high	94.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	127.7	174	173	0	0	0	0	110.9	S113 Y114 N140 P164 W167 L171 C172 M173	V111-S113 WeakPolarHBondContact CG1-O 3.23Å; V111-Y114 HydrophobicContact CG1-CD1 4.22Å; V111-N140 PolarHBondContact O-N 2.97Å; V111-P164 HydrophobicContact CG1-CB 4Å; V111-P164 HydrophobicContact CG1-CG 4.46Å; V111-P164 HydrophobicContact CG2-CB 4.02Å; V111-P164 HydrophobicContact CG2-CG 4.15Å; V111-W167 HydrophobicContact CG2-CB 4.38Å; V111-L171 HydrophobicContact CG2-CD2 4.17Å; V111-L171 HydrophobicContact CG2-CG 4.47Å; V111-C172 PolarHBondContact N-O 2.92Å; V111-M173 HydrophobicContact CB-CB 4.44Å; V111-M173 HydrophobicContact CG2-CB 3.95Å; V111-M173 HydrophobicContact CG2-CG 4.28Å; V111-M173 HydrophobicContact CG2-SD 4.16Å
112	T	98.1	Very high	94.6	Very high	39 Å²	39	39.9 Å²	39.9	24%	0.239	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-24.4	-177.4	54.5	0	0	0	0	113.3	F110 G139 S166 W167	F110-T112 HydrophobicContact CD2-CG2 3.76Å; F110-T112 HydrophobicContact CE2-CG2 3.57Å; T112-G139 PolarHBondContact O-N 2.72Å; T112-S166 PolarHBondContact N-O 3.03Å; T112-S166 WeakPolarHBondContact OG1-CB 3.28Å; T112-S166 PolarHBondContact OG1-O 3.4Å; T112-S166 VanDerWaalsContact OG1-O 3.11Å; T112-S166 PolarHBondContact OG1-OG 3.35Å; T112-W167 PolarHBondContact OG1-N 3.12Å
113	S	97.9	Very high	94.4	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.063	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	153.1	169.4	72.2	0	0	0	0	112.8	V111 F137 Q165 S166	V111-S113 WeakPolarHBondContact CG1-O 3.23Å; S113-F137 WeakPolarHBondContact CA-O 3.23Å; S113-F137 VanDerWaalsContact CB-O 3.31Å; S113-F137 WeakPolarHBondContact CB-O 3.3Å; S113-Q165 PolarHBondContact O-N 3.28Å; S113-S166 PolarHBondContact N-O 2.9Å; S113-S166 PolarHBondContact N-OG 3.1Å; S113-S166 PolarHBondContact O-N 3.33Å; S113-S166 PolarHBondContact OG-OG 2.67Å
114	Y	97.9	Very high	94.4	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	159.6	-177.1	58.6	-91.8	0	0	0	112.8	T99 V111 L116 F137 N149 I162 I163	T99-Y114 HydrophobicContact CG2-CD1 4.47Å; T99-Y114 HydrophobicContact CG2-CE1 3.68Å; V111-Y114 HydrophobicContact CG1-CD1 4.22Å; Y114-L116 HydrophobicContact CD2-CD2 3.88Å; Y114-L116 HydrophobicContact CD2-CG 4.1Å; Y114-L116 HydrophobicContact CE2-CD1 4.3Å; Y114-L116 HydrophobicContact CE2-CD2 3.74Å; Y114-L116 HydrophobicContact CE2-CG 3.9Å; Y114-F137 HydrophobicContact CD1-CB 4.49Å; Y114-F137 HydrophobicContact CD2-CB 3.93Å; Y114-F137 HydrophobicContact CD2-CD2 4.41Å; Y114-F137 HydrophobicContact CD2-CG 4.47Å; Y114-F137 HydrophobicContact CE1-CB 4.19Å; Y114-F137 HydrophobicContact CE2-CB 3.57Å; Y114-F137 HydrophobicContact CE2-CD2 4.2Å; Y114-F137 AromaticContact CE2-CG 3.97Å; Y114-F137 HydrophobicContact CE2-CG 3.97Å; Y114-F137 HydrophobicContact CG-CB 4.38Å; Y114-F137 PolarHBondContact N-O 3.47Å; Y114-F137 PolarHBondContact O-N 3.01Å; Y114-N149 PolarHBondContact OH-ND2 2.64Å; Y114-I162 HydrophobicContact CD2-CG2 3.85Å; Y114-I162 HydrophobicContact CG-CG2 3.91Å; Y114-I163 WeakPolarHBondContact CA-O 3.41Å
115	F	97.4	Very high	94.7	Very high	42 Å²	42	56.3 Å²	56.3	18%	0.184	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	158.1	162.9	-62.7	-57	0	0	0	110.8	D134 W135 L136 I163 Q165	F115-D134 HydrophobicContact CD1-CB 3.82Å; F115-D134 HydrophobicContact CE1-CB 3.64Å; F115-D134 WeakPolarHBondContact CE1-O 3.38Å; F115-D134 HydrophobicContact CG-CB 4.38Å; F115-D134 HydrophobicContact CZ-CB 4.04Å; F115-W135 WeakPolarHBondContact CD1-O 3.38Å; F115-L136 HydrophobicContact CD1-CB 4.42Å; F115-L136 HydrophobicContact CD1-CD1 4.12Å; F115-L136 HydrophobicContact CE1-CB 3.8Å; F115-L136 HydrophobicContact CE1-CD1 3.74Å; F115-L136 HydrophobicContact CE1-CG 4.4Å; F115-L136 HydrophobicContact CZ-CD1 3.99Å; F115-I163 HydrophobicContact CB-CB 4.35Å; F115-I163 PolarHBondContact N-O 3.18Å; F115-I163 PolarHBondContact O-N 3.36Å; F115-Q165 HydrophobicContact CD2-CG 3.52Å; F115-Q165 HydrophobicContact CE2-CG 3.54Å; F115-Q165 HydrophobicContact CG-CG 4.19Å; F115-Q165 HydrophobicContact CZ-CG 4.22Å
116	L	97.4	Very high	95.2	Very high	2 Å²	2	54 Å²	54	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.8	170.1	-64.9	178.1	0	0	0	109.9	V97 Y114 F118 T127 I128 F137 L151 I160 I162	V97-L116 HydrophobicContact CG2-CD1 4.12Å; V97-L116 HydrophobicContact CG2-CD2 4.02Å; Y114-L116 HydrophobicContact CD2-CD2 3.88Å; Y114-L116 HydrophobicContact CD2-CG 4.1Å; Y114-L116 HydrophobicContact CE2-CD1 4.3Å; Y114-L116 HydrophobicContact CE2-CD2 3.74Å; Y114-L116 HydrophobicContact CE2-CG 3.9Å; L116-F118 HydrophobicContact CB-CE2 3.92Å; L116-F118 HydrophobicContact CB-CZ 4.22Å; L116-T127 WeakPolarHBondContact O-CA 3.4Å; L116-I128 PolarHBondContact O-N 2.94Å; L116-F137 HydrophobicContact CB-CE2 4.17Å; L116-F137 HydrophobicContact CD1-CD2 4.13Å; L116-F137 HydrophobicContact CD1-CE2 3.76Å; L116-F137 HydrophobicContact CD1-CZ 4.01Å; L116-F137 HydrophobicContact CG-CD2 4Å; L116-F137 HydrophobicContact CG-CE2 3.9Å; L116-L151 HydrophobicContact CD1-CD2 3.73Å; L116-I160 HydrophobicContact CD2-CD1 4.41Å; L116-I162 HydrophobicContact CD2-CB 4.39Å; L116-I162 HydrophobicContact CD2-CG1 3.84Å
117	A	97.1	Very high	95.6	Very high	2 Å²	2	50 Å²	50	2%	0.017	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148	174.4	0	0	0	0	0	111	W125 T126 T127 R161 I163	A117-W125 HydrophobicContact CB-CB 4.45Å; A117-W125 HydrophobicContact CB-CE3 3.99Å; A117-T126 CarbonylContact C-O 3.59Å; A117-T126 WeakPolarHBondContact CA-O 3.47Å; A117-T127 HydrophobicContact CB-CG2 4.1Å; A117-R161 HydrophobicContact CB-CB 4.49Å; A117-R161 PolarHBondContact N-O 3.22Å; A117-R161 PolarHBondContact O-N 2.81Å; A117-I163 HydrophobicContact CB-CD1 3.86Å
118	F	97.8	Very high	95.8	Very high	10 Å²	10	47.2 Å²	47.2	4%	0.044	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.1	-174.3	-61.3	-90	0	0	0	111.3	F94 L116 W125 T126 I128 L151 V155 A157 Y159 I160	F94-F118 HydrophobicContact CB-CE1 3.7Å; F94-F118 HydrophobicContact CB-CZ 4.49Å; F94-F118 AromaticContact CD2-CD1 3.73Å; F94-F118 HydrophobicContact CD2-CD1 3.73Å; F94-F118 AromaticContact CD2-CE1 3.73Å; F94-F118 HydrophobicContact CD2-CE1 3.73Å; F94-F118 HydrophobicContact CE2-CD1 4.27Å; F94-F118 HydrophobicContact CG-CD1 4.31Å; F94-F118 AromaticContact CG-CE1 3.83Å; F94-F118 HydrophobicContact CG-CE1 3.83Å; L116-F118 HydrophobicContact CB-CE2 3.92Å; L116-F118 HydrophobicContact CB-CZ 4.22Å; F118-W125 WeakPolarHBondContact O-CA 3.26Å; F118-T126 PolarHBondContact N-O 3.47Å; F118-T126 PolarHBondContact O-N 3.4Å; F118-I128 HydrophobicContact CD2-CG1 4.41Å; F118-I128 HydrophobicContact CE2-CD1 3.77Å; F118-I128 HydrophobicContact CE2-CG1 3.84Å; F118-I128 HydrophobicContact CZ-CD1 4.39Å; F118-L151 HydrophobicContact CZ-CD1 3.96Å; F118-V155 HydrophobicContact CB-CG1 3.97Å; F118-V155 HydrophobicContact CD1-CB 4.18Å; F118-V155 HydrophobicContact CD1-CG1 3.85Å; F118-V155 HydrophobicContact CD2-CB 4.31Å; F118-V155 HydrophobicContact CD2-CG1 3.8Å; F118-V155 HydrophobicContact CD2-CG2 4.4Å; F118-V155 HydrophobicContact CE1-CB 4.12Å; F118-V155 HydrophobicContact CE1-CG1 4.29Å; F118-V155 HydrophobicContact CE2-CB 4.28Å; F118-V155 HydrophobicContact CE2-CG1 4.28Å; F118-V155 HydrophobicContact CE2-CG2 4.14Å; F118-V155 HydrophobicContact CG-CB 4.27Å; F118-V155 HydrophobicContact CG-CG1 3.57Å; F118-V155 HydrophobicContact CZ-CB 4.18Å; F118-V155 HydrophobicContact CZ-CG1 4.5Å; F118-V155 HydrophobicContact CZ-CG2 4.31Å; F118-A157 HydrophobicContact CB-CB 3.86Å; F118-A157 HydrophobicContact CD1-CB 4.15Å; F118-A157 HydrophobicContact CG-CB 4.47Å; F118-Y159 WeakPolarHBondContact CA-O 3.47Å; F118-I160 HydrophobicContact CD1-CB 4.17Å; F118-I160 HydrophobicContact CD1-CG1 4.11Å; F118-I160 HydrophobicContact CE1-CB 4.02Å; F118-I160 HydrophobicContact CE1-CD1 3.64Å; F118-I160 HydrophobicContact CE1-CG1 3.6Å; F118-I160 HydrophobicContact CZ-CD1 3.95Å; F118-I160 HydrophobicContact CZ-CG1 4.07Å
119	S	97.5	Very high	95.5	Very high	7 Å²	7	50.2 Å²	50.2	5%	0.049	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	156.6	179	-175.3	0	0	0	0	111.7	D121 S122 E124 R158 Y159	S119-D121 PolarHBondContact OG-N 2.9Å; S119-D121 PolarHBondContact OG-OD1 3.48Å; S119-S122 PolarHBondContact OG-N 2.03Å; S119-E124 WeakPolarHBondContact CB-O 3.36Å; S119-E124 PolarHBondContact OG-O 3.2Å; S119-R158 PolarHBondContact O-N 2.83Å; S119-R158 VanDerWaalsContact O-N 3.13Å; S119-Y159 PolarHBondContact N-O 2.63Å; S119-Y159 PolarHBondContact O-N 3.44Å
120	N	95.8	Very high	94.8	Very high	85 Å²	85	54.6 Å²	54.6	46%	0.455	27%	0.271	S	S	.	.	S	Bend	trans	-107.1	-9.8	168.8	-146.9	13.9	0	0	0	112.9	E91 R158	E91-N120 PolarHBondContact OE1-ND2 3.35Å; N120-R158 VanDerWaalsContact OD1-CB 3.27Å; N120-R158 WeakPolarHBondContact OD1-CB 3.41Å
121	D	93.3	Very high	93.8	Very high	70 Å²	70	56.8 Å²	56.8	37%	0.374	30%	0.297	S	S	.	.	S	Bend	trans	-131.9	4.7	-174	82.7	-25.5	0	0	0	114.6	S119 R123 E124	S119-D121 PolarHBondContact OG-N 2.9Å; S119-D121 PolarHBondContact OG-OD1 3.48Å; D121-R123 PolarHBondContact O-N 3.19Å; D121-R123 PolarHBondContact OD1-N 3.15Å; D121-E124 PolarHBondContact OD1-N 3.1Å
122	S	91.8	Very high	92.8	Very high	46 Å²	46	67.4 Å²	67.4	32%	0.322	34%	0.339	S	S	.	.	S	Bend	trans	59.4	12	-173.8	92.1	0	0	0	0	115.8	S119 W125	S119-S122 PolarHBondContact OG-N 2.03Å; S122-W125 PolarHBondContact O-NE1 2.98Å; S122-W125 VanDerWaalsContact O-NE1 3.12Å
123	R	91.2	Very high	92.3	Very high	207 Å²	207	68.3 Å²	68.3	78%	0.781	35%	0.35	S	S	*	.	S	Bend	trans	-118.6	-50.2	-176.5	-59.8	167.4	180	-174.3	-0.3	112.4	D121 W125	D121-R123 PolarHBondContact O-N 3.19Å; D121-R123 PolarHBondContact OD1-N 3.15Å; R123-W125 VanDerWaalsContact O-CD1 3.26Å
124	E	94.7	Very high	92	Very high	157 Å²	157	71.2 Å²	71.2	73%	0.734	37%	0.365	S	S	*	.	S	Bend	trans	-93.2	124.3	174.5	-66.8	-169.6	175.8	0	0	109.1	S119 D121	S119-E124 WeakPolarHBondContact CB-O 3.36Å; S119-E124 PolarHBondContact OG-O 3.2Å; D121-E124 PolarHBondContact OD1-N 3.1Å
125	W	95.8	Very high	91.7	Very high	64 Å²	64	77.3 Å²	77.3	24%	0.242	39%	0.388	C	S	.	.			trans	-122.3	129.9	-171.5	-69.8	91.3	0	0	0	110.4	E85 A117 F118 S122 R123 R161	E85-W125 HydrophobicContact CG-CH2 3.97Å; E85-W125 HydrophobicContact CG-CZ2 4.45Å; E85-W125 WeakPolarHBondContact OE2-CH2 3.3Å; E85-W125 WeakPolarHBondContact OE2-CZ2 3.46Å; A117-W125 HydrophobicContact CB-CB 4.45Å; A117-W125 HydrophobicContact CB-CE3 3.99Å; F118-W125 WeakPolarHBondContact O-CA 3.26Å; S122-W125 PolarHBondContact O-NE1 2.98Å; S122-W125 VanDerWaalsContact O-NE1 3.12Å; R123-W125 VanDerWaalsContact O-CD1 3.26Å; W125-R161 HydrophobicContact CE3-CB 3.89Å; W125-R161 HydrophobicContact CH2-CB 3.71Å; W125-R161 HydrophobicContact CZ3-CB 3.34Å; W125-R161 HydrophobicContact CZ3-CG 4.47Å
126	T	95	Very high	91.6	Very high	97 Å²	97	78.6 Å²	78.6	60%	0.595	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.4	176.6	-56.8	0	0	0	0	109.6	A117 F118	A117-T126 CarbonylContact C-O 3.59Å; A117-T126 WeakPolarHBondContact CA-O 3.47Å; F118-T126 PolarHBondContact N-O 3.47Å; F118-T126 PolarHBondContact O-N 3.4Å
127	T	94.3	Very high	91.5	Very high	44 Å²	44	79 Å²	79	27%	0.27	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	152.9	172.9	42	0	0	0	0	111.3	L116 A117 D134	L116-T127 WeakPolarHBondContact O-CA 3.4Å; A117-T127 HydrophobicContact CB-CG2 4.1Å; T127-D134 WeakPolarHBondContact CB-OD1 3.35Å; T127-D134 PolarHBondContact OG1-OD1 2.94Å
128	I	92.1	Very high	91.5	Very high	43 Å²	43	85.9 Å²	85.9	22%	0.221	43%	0.428	C	S	.	.			trans	-71.6	129.4	164.7	-60.1	176.2	0	0	0	107.6	L116 F118 D134 W135 F137 L151 V155	L116-I128 PolarHBondContact O-N 2.94Å; F118-I128 HydrophobicContact CD2-CG1 4.41Å; F118-I128 HydrophobicContact CE2-CD1 3.77Å; F118-I128 HydrophobicContact CE2-CG1 3.84Å; F118-I128 HydrophobicContact CZ-CD1 4.39Å; I128-D134 CarbonylContact O-C 3.35Å; I128-D134 WeakPolarHBondContact O-CA 3.04Å; I128-W135 HydrophobicContact CB-CB 4.2Å; I128-W135 HydrophobicContact CG2-CB 3.78Å; I128-W135 HydrophobicContact CG2-CG 4.32Å; I128-W135 WeakPolarHBondContact O-CB 3.06Å; I128-W135 PolarHBondContact O-N 3.39Å; I128-F137 HydrophobicContact CD1-CE2 4.28Å; I128-F137 HydrophobicContact CD1-CZ 4.06Å; I128-L151 HydrophobicContact CD1-CD1 4.21Å; I128-L151 HydrophobicContact CD1-CD2 3.7Å; I128-L151 HydrophobicContact CD1-CG 4.48Å; I128-V155 HydrophobicContact CD1-CG2 4.35Å
129	H	88	Confident	91.4	Very high	116 Å²	116	85.7 Å²	85.7	54%	0.537	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-138.2	149.1	179	62.1	52.6	0	0	0	111.8	G131 A133	H129-G131 PolarHBondContact O-N 3.39Å; H129-A133 CarbonylContact C-O 3.56Å; H129-A133 WeakPolarHBondContact CA-O 3.49Å; H129-A133 VanDerWaalsContact CB-O 3.28Å; H129-A133 WeakPolarHBondContact CB-O 3.27Å
130	D	81.3	Confident	91.4	Very high	93 Å²	93	85.4 Å²	85.4	50%	0.497	43%	0.427	S	S	.	.			trans	-83.5	1.2	175.7	72.9	-7	0	0	0	113.8	Y132 A133 W135	D130-Y132 WeakPolarHBondContact OD1-CA 3.22Å; D130-Y132 WeakPolarHBondContact OD1-CB 3.4Å; D130-Y132 PolarHBondContact OD1-N 3.47Å; D130-A133 PolarHBondContact N-O 3.23Å; D130-A133 PolarHBondContact OD1-N 2.93Å; D130-W135 HydrophobicContact CB-CE3 4.12Å; D130-W135 HydrophobicContact CB-CZ3 4.27Å
131	G	76.5	Confident	91.4	Very high	59 Å²	59	88.2 Å²	88.2	61%	0.608	44%	0.442	S	S	*	.	S	Bend	trans	95.7	-8.1	-174.3	0	0	0	0	0	114.3	H129	H129-G131 PolarHBondContact O-N 3.39Å
132	Y	79.1	Confident	91.5	Very high	223 Å²	223	87.6 Å²	87.6	88%	0.875	44%	0.439	S	S	*	.	S	Bend	trans	-119.4	-36.3	172.8	-63.7	-84.4	0	0	0	112.6	D130	D130-Y132 WeakPolarHBondContact OD1-CA 3.22Å; D130-Y132 WeakPolarHBondContact OD1-CB 3.4Å; D130-Y132 PolarHBondContact OD1-N 3.47Å
133	A	87.1	Confident	91.6	Very high	58 Å²	58	86.8 Å²	86.8	48%	0.479	43%	0.43	S	S	.	.	S	Bend	trans	-147	162.1	178.8	0	0	0	0	0	112.1	H129 D130	H129-A133 CarbonylContact C-O 3.56Å; H129-A133 WeakPolarHBondContact CA-O 3.49Å; H129-A133 VanDerWaalsContact CB-O 3.28Å; H129-A133 WeakPolarHBondContact CB-O 3.27Å; D130-A133 PolarHBondContact N-O 3.23Å; D130-A133 PolarHBondContact OD1-N 2.93Å
134	D	90.3	Very high	91.6	Very high	71 Å²	71	80.4 Å²	80.4	38%	0.38	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-63.3	140.9	168	-64.5	-44.6	0	0	0	110.5	F115 T127 I128 L136	F115-D134 HydrophobicContact CD1-CB 3.82Å; F115-D134 HydrophobicContact CE1-CB 3.64Å; F115-D134 WeakPolarHBondContact CE1-O 3.38Å; F115-D134 HydrophobicContact CG-CB 4.38Å; F115-D134 HydrophobicContact CZ-CB 4.04Å; T127-D134 WeakPolarHBondContact CB-OD1 3.35Å; T127-D134 PolarHBondContact OG1-OD1 2.94Å; I128-D134 CarbonylContact O-C 3.35Å; I128-D134 WeakPolarHBondContact O-CA 3.04Å; D134-L136 PolarHBondContact O-N 3.38Å
135	W	92.3	Very high	91.6	Very high	127 Å²	127	76.3 Å²	76.3	48%	0.481	40%	0.397	S	S	.	.			trans	-80.2	105	-174.1	-171.3	-76.8	0	0	0	111.2	F115 I128 D130 F137	F115-W135 WeakPolarHBondContact CD1-O 3.38Å; I128-W135 HydrophobicContact CB-CB 4.2Å; I128-W135 HydrophobicContact CG2-CB 3.78Å; I128-W135 HydrophobicContact CG2-CG 4.32Å; I128-W135 WeakPolarHBondContact O-CB 3.06Å; I128-W135 PolarHBondContact O-N 3.39Å; D130-W135 HydrophobicContact CB-CE3 4.12Å; D130-W135 HydrophobicContact CB-CZ3 4.27Å; W135-F137 AromaticContact CD1-CD2 3.96Å; W135-F137 AromaticContact CD1-CE1 3.77Å; W135-F137 AromaticContact CD1-CE2 3.59Å; W135-F137 AromaticContact CD1-CZ 3.49Å; W135-F137 VanDerWaalsContact CD1-CZ 3.49Å; W135-F137 HydrophobicContact CG-CE2 4.38Å; W135-F137 HydrophobicContact CG-CZ 4.37Å; W135-F137 AromaticContact NE1-CE1 3.89Å; W135-F137 WeakPolarHBondContact O-CD2 3.21Å; W135-F137 WeakPolarHBondContact O-CE2 3.49Å; W135-F137 PolarHBondContact O-N 2.83Å
136	L	94.9	Very high	91.6	Very high	69 Å²	69	73.6 Å²	73.6	36%	0.361	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-76.6	121	179.2	-171.1	68.4	0	0	0	111.2	F115 D134 Q165	F115-L136 HydrophobicContact CD1-CB 4.42Å; F115-L136 HydrophobicContact CD1-CD1 4.12Å; F115-L136 HydrophobicContact CE1-CB 3.8Å; F115-L136 HydrophobicContact CE1-CD1 3.74Å; F115-L136 HydrophobicContact CE1-CG 4.4Å; F115-L136 HydrophobicContact CZ-CD1 3.99Å; D134-L136 PolarHBondContact O-N 3.38Å; L136-Q165 HydrophobicContact CD1-CB 4.11Å; L136-Q165 HydrophobicContact CD1-CG 3.84Å
137	F	96.4	Very high	91.6	Very high	11 Å²	11	70.8 Å²	70.8	5%	0.048	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	142.9	171.8	-65.4	-88.9	0	0	0	110.7	S113 Y114 L116 I128 W135 N149 L151	S113-F137 WeakPolarHBondContact CA-O 3.23Å; S113-F137 VanDerWaalsContact CB-O 3.31Å; S113-F137 WeakPolarHBondContact CB-O 3.3Å; Y114-F137 HydrophobicContact CD1-CB 4.49Å; Y114-F137 HydrophobicContact CD2-CB 3.93Å; Y114-F137 HydrophobicContact CD2-CD2 4.41Å; Y114-F137 HydrophobicContact CD2-CG 4.47Å; Y114-F137 HydrophobicContact CE1-CB 4.19Å; Y114-F137 HydrophobicContact CE2-CB 3.57Å; Y114-F137 HydrophobicContact CE2-CD2 4.2Å; Y114-F137 AromaticContact CE2-CG 3.97Å; Y114-F137 HydrophobicContact CE2-CG 3.97Å; Y114-F137 HydrophobicContact CG-CB 4.38Å; Y114-F137 PolarHBondContact N-O 3.47Å; Y114-F137 PolarHBondContact O-N 3.01Å; L116-F137 HydrophobicContact CB-CE2 4.17Å; L116-F137 HydrophobicContact CD1-CD2 4.13Å; L116-F137 HydrophobicContact CD1-CE2 3.76Å; L116-F137 HydrophobicContact CD1-CZ 4.01Å; L116-F137 HydrophobicContact CG-CD2 4Å; L116-F137 HydrophobicContact CG-CE2 3.9Å; I128-F137 HydrophobicContact CD1-CE2 4.28Å; I128-F137 HydrophobicContact CD1-CZ 4.06Å; W135-F137 AromaticContact CD1-CD2 3.96Å; W135-F137 AromaticContact CD1-CE1 3.77Å; W135-F137 AromaticContact CD1-CE2 3.59Å; W135-F137 AromaticContact CD1-CZ 3.49Å; W135-F137 VanDerWaalsContact CD1-CZ 3.49Å; W135-F137 HydrophobicContact CG-CE2 4.38Å; W135-F137 HydrophobicContact CG-CZ 4.37Å; W135-F137 AromaticContact NE1-CE1 3.89Å; W135-F137 WeakPolarHBondContact O-CD2 3.21Å; W135-F137 WeakPolarHBondContact O-CE2 3.49Å; W135-F137 PolarHBondContact O-N 2.83Å; F137-N149 HydrophobicContact CD1-CB 3.88Å; F137-N149 HydrophobicContact CE1-CB 4.49Å; F137-L151 HydrophobicContact CE1-CD2 4.06Å; F137-L151 HydrophobicContact CZ-CD2 3.71Å
138	F	97.1	Very high	91.7	Very high	147 Å²	147	70.9 Å²	70.9	65%	0.645	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	126.7	173.9	-64.5	-76.3	0	0	0	109.7	N149	F138-N149 PolarHBondContact O-ND2 3.47Å
139	G	95.2	Very high	91.8	Very high	6 Å²	6	70.4 Å²	70.4	6%	0.062	37%	0.366	C	S	.	.			trans	-95	-133	-178.7	0	0	0	0	0	112.2	T112	T112-G139 PolarHBondContact O-N 2.72Å
140	N	97.4	Very high	92.1	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.005	36%	0.358	C	S	.	.			trans	-85.8	154	-170.1	-58.8	84.6	0	0	0	112.8	T99 Q100 F110 V111 D142 T145	T99-N140 VanDerWaalsContact C-OD1 3.24Å; T99-N140 VanDerWaalsContact CB-OD1 3.26Å; T99-N140 WeakPolarHBondContact CB-OD1 3.23Å; T99-N140 PolarHBondContact O-ND2 2.85Å; T99-N140 PolarHBondContact O-OD1 3.07Å; T99-N140 PolarHBondContact OG1-OD1 3.13Å; Q100-N140 WeakPolarHBondContact CA-ND2 3.27Å; Q100-N140 PolarHBondContact N-OD1 3.28Å; F110-N140 HydrophobicContact CB-CB 4.3Å; F110-N140 HydrophobicContact CD2-CB 4.02Å; F110-N140 WeakPolarHBondContact CD2-O 3.34Å; F110-N140 WeakPolarHBondContact CE2-O 3.43Å; F110-N140 HydrophobicContact CG-CB 4.47Å; V111-N140 PolarHBondContact O-N 2.97Å; N140-D142 WeakPolarHBondContact CB-O 3.45Å; N140-T145 PolarHBondContact ND2-O 3.22Å
141	N	96.6	Very high	92.7	Very high	143 Å²	143	65.6 Å²	65.6	77%	0.765	34%	0.336	S	S	*	.	S	Bend	trans	-110.1	-7.9	170.3	-65.7	-65.3	0	0	0	112.9	F110	F110-N141 VanDerWaalsContact CE2-C 3.42Å; F110-N141 VanDerWaalsContact CZ-C 3.49Å; F110-N141 VanDerWaalsContact CZ-O 3.28Å; F110-N141 WeakPolarHBondContact CZ-O 3.47Å
142	D	94.9	Very high	93.3	Very high	57 Å²	57	67.1 Å²	67.1	31%	0.305	34%	0.343	S	S	.	.	S	Bend	trans	-148.6	174.8	176.8	71.2	76.2	0	0	0	109.1	N140 D144 T145	N140-D142 WeakPolarHBondContact CB-O 3.45Å; D142-D144 PolarHBondContact OD1-N 3.47Å; D142-T145 VanDerWaalsContact CG-OG1 3.3Å; D142-T145 WeakPolarHBondContact OD1-CB 3.26Å; D142-T145 PolarHBondContact OD1-N 2.7Å; D142-T145 PolarHBondContact OD1-OG1 3.27Å; D142-T145 VanDerWaalsContact OD1-OG1 3.07Å; D142-T145 VanDerWaalsContact OD2-CB 3.31Å; D142-T145 WeakPolarHBondContact OD2-CB 3.48Å; D142-T145 PolarHBondContact OD2-OG1 2.68Å
143	K	93.3	Very high	93.8	Very high	30 Å²	30	63.9 Å²	63.9	13%	0.13	34%	0.336	C	S	.	.	S	Bend	trans	-87.3	-15.9	-173.7	76	-179	-176.5	57.5	0	115.1	G101 A104 E107 F110 R174	G101-K143 CarbonylContact C-O 3.39Å; G101-K143 VanDerWaalsContact C-O 3.31Å; G101-K143 VanDerWaalsContact CA-O 3.28Å; G101-K143 WeakPolarHBondContact CA-O 3.37Å; G101-K143 PolarHBondContact N-O 3.23Å; G101-K143 VanDerWaalsContact N-O 3.13Å; A104-K143 WeakPolarHBondContact O-CE 3.34Å; A104-K143 PolarHBondContact O-NZ 3.44Å; A104-K143 VanDerWaalsContact O-NZ 3.14Å; E107-K143 VanDerWaalsContact O-CD 3.3Å; E107-K143 WeakPolarHBondContact O-CD 3.41Å; F110-K143 HydrophobicContact CD1-CB 4.36Å; K143-R174 PolarHBondContact O-NH2 3.46Å
144	D	92	Very high	94.1	Very high	72 Å²	72	63.3 Å²	63.3	39%	0.385	33%	0.328	S	S	.	.	S	Bend	trans	-108.9	-37	-162.7	-65.1	-56.8	0	0	0	112.7	Q100 D142 P146	Q100-D144 PolarHBondContact NE2-O 2.95Å; D142-D144 PolarHBondContact OD1-N 3.47Å; D144-P146 WeakPolarHBondContact O-CD 3.42Å
145	T	93.6	Very high	94.3	Very high	72 Å²	72	61.8 Å²	61.8	44%	0.442	32%	0.321	S	S	.	.	S	Bend	trans	-77.5	120.2	-176.8	-48.7	0	0	0	0	111.4	N140 D142	N140-T145 PolarHBondContact ND2-O 3.22Å; D142-T145 VanDerWaalsContact CG-OG1 3.3Å; D142-T145 WeakPolarHBondContact OD1-CB 3.26Å; D142-T145 PolarHBondContact OD1-N 2.7Å; D142-T145 PolarHBondContact OD1-OG1 3.27Å; D142-T145 VanDerWaalsContact OD1-OG1 3.07Å; D142-T145 VanDerWaalsContact OD2-CB 3.31Å; D142-T145 WeakPolarHBondContact OD2-CB 3.48Å; D142-T145 PolarHBondContact OD2-OG1 2.68Å
146	P	95.7	Very high	94.4	Very high	6 Å²	6	60.7 Å²	60.7	4%	0.039	32%	0.324	C	S	.	.			trans	-62.9	143.4	169.7	-21.3	34.6	0	0	0	111.8	L57 V98 T99 D144 M324	L57-P146 HydrophobicContact CD1-CB 4.4Å; V98-P146 HydrophobicContact CG1-CB 3.76Å; T99-P146 CarbonylContact O-C 3.52Å; T99-P146 WeakPolarHBondContact O-CA 3.25Å; D144-P146 WeakPolarHBondContact O-CD 3.42Å; P146-M324 HydrophobicContact CB-CE 4.35Å; P146-M324 HydrophobicContact CB-SD 4.38Å; P146-M324 WeakPolarHBondContact O-CE 3.17Å
147	V	96.4	Very high	94.5	Very high	38 Å²	38	57.8 Å²	57.8	23%	0.23	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	113.1	177.1	176.1	0	0	0	0	109.9	V98 T99	V98-V147 CarbonylContact C-O 3.59Å; V98-V147 WeakPolarHBondContact CA-O 3.15Å; T99-V147 PolarHBondContact N-O 2.9Å; T99-V147 PolarHBondContact O-N 3.15Å
148	M	95.4	Very high	94.5	Very high	47 Å²	47	60.7 Å²	60.7	23%	0.232	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125	178.1	-177.1	-177.8	-65.6	0	0	111.8	V98 R150 L178 E323 M324	V98-M148 HydrophobicContact CG2-CB 4.09Å; V98-M148 HydrophobicContact CG2-CE 3.96Å; V98-M148 HydrophobicContact CG2-CG 4.12Å; M148-R150 HydrophobicContact CG-CG 4.2Å; M148-R150 HydrophobicContact SD-CG 4.11Å; M148-R150 PolarHBondContact SD-NE 2.96Å; M148-R150 PolarHBondContact SD-NH2 3.48Å; M148-L178 HydrophobicContact CE-CD1 4.1Å; M148-L178 HydrophobicContact CG-CD1 4.32Å; M148-L178 HydrophobicContact SD-CD1 4.03Å; M148-E323 HydrophobicContact CE-CB 3.72Å; M148-E323 HydrophobicContact CE-CG 4.43Å; M148-M324 HydrophobicContact CB-SD 3.65Å; M148-M324 HydrophobicContact CE-CG 4.18Å; M148-M324 HydrophobicContact CE-SD 4.06Å
149	N	95.3	Very high	94.5	Very high	32 Å²	32	55 Å²	55	17%	0.171	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.1	166.8	-78.1	-94.2	0	0	0	109.2	G96 V97 Y114 F137 F138	G96-N149 CarbonylContact C-O 3.57Å; G96-N149 WeakPolarHBondContact CA-O 3.48Å; V97-N149 PolarHBondContact N-O 3.1Å; V97-N149 PolarHBondContact O-N 2.71Å; Y114-N149 PolarHBondContact OH-ND2 2.64Å; F137-N149 HydrophobicContact CD1-CB 3.88Å; F137-N149 HydrophobicContact CE1-CB 4.49Å; F138-N149 PolarHBondContact O-ND2 3.47Å
150	R	94	Very high	94.7	Very high	101 Å²	101	54.8 Å²	54.8	38%	0.381	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	143.7	173.7	-67.3	-175.6	-179.8	-118.7	-2.6	110.5	E24 T95 M148	E24-R150 IonicContact OE1-NH1 2.61Å; T95-R150 WeakPolarHBondContact O-CA 3.24Å; M148-R150 HydrophobicContact CG-CG 4.2Å; M148-R150 HydrophobicContact SD-CG 4.11Å; M148-R150 PolarHBondContact SD-NE 2.96Å; M148-R150 PolarHBondContact SD-NH2 3.48Å
151	L	92.8	Very high	94.7	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.037	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	143.3	175.1	-52.2	-174.2	0	0	0	109.8	T95 L116 F118 I128 F137 E153 V155	T95-L151 PolarHBondContact O-N 2.89Å; L116-L151 HydrophobicContact CD1-CD2 3.73Å; F118-L151 HydrophobicContact CZ-CD1 3.96Å; I128-L151 HydrophobicContact CD1-CD1 4.21Å; I128-L151 HydrophobicContact CD1-CD2 3.7Å; I128-L151 HydrophobicContact CD1-CG 4.48Å; F137-L151 HydrophobicContact CE1-CD2 4.06Å; F137-L151 HydrophobicContact CZ-CD2 3.71Å; L151-E153 VanDerWaalsContact C-N 3.34Å; L151-E153 WeakPolarHBondContact CB-O 3.45Å; L151-V155 HydrophobicContact CD1-CB 4.48Å; L151-V155 HydrophobicContact CD1-CG2 4.01Å
152	A	89.3	Confident	94.7	Very high	92 Å²	92	49.9 Å²	49.9	76%	0.76	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	-35.9	178	0	0	0	0	0	112.2
153	E	89.6	Confident	94.9	Very high	154 Å²	154	49 Å²	49	72%	0.72	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.5	169	-64.7	-173.5	168	0	0	108	L151	L151-E153 VanDerWaalsContact C-N 3.34Å; L151-E153 WeakPolarHBondContact CB-O 3.45Å
154	P	93.1	Very high	95	Very high	47 Å²	47	48 Å²	48	31%	0.305	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	147.7	175.3	-23.1	34.7	0	0	0	112.8	E93 F94 T95	E93-P154 HydrophobicContact CG-CB 3.36Å; E93-P154 HydrophobicContact CG-CG 4.29Å; E93-P154 VanDerWaalsContact OE1-CB 3.23Å; E93-P154 WeakPolarHBondContact OE1-CB 3.31Å; E93-P154 WeakPolarHBondContact OE1-CG 3.39Å; F94-P154 VanDerWaalsContact O-CA 3.29Å; F94-P154 WeakPolarHBondContact O-CA 3.39Å; T95-P154 HydrophobicContact CG2-CB 4.07Å; T95-P154 HydrophobicContact CG2-CG 4.17Å
155	V	94.9	Very high	95.3	Very high	39 Å²	39	48.7 Å²	48.7	24%	0.236	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.8	-179.6	-176.9	0	0	0	0	109.9	F94 F118 I128 L151 A157	F94-V155 PolarHBondContact N-O 3.06Å; F94-V155 PolarHBondContact O-N 3.39Å; F118-V155 HydrophobicContact CB-CG1 3.97Å; F118-V155 HydrophobicContact CD1-CB 4.18Å; F118-V155 HydrophobicContact CD1-CG1 3.85Å; F118-V155 HydrophobicContact CD2-CB 4.31Å; F118-V155 HydrophobicContact CD2-CG1 3.8Å; F118-V155 HydrophobicContact CD2-CG2 4.4Å; F118-V155 HydrophobicContact CE1-CB 4.12Å; F118-V155 HydrophobicContact CE1-CG1 4.29Å; F118-V155 HydrophobicContact CE2-CB 4.28Å; F118-V155 HydrophobicContact CE2-CG1 4.28Å; F118-V155 HydrophobicContact CE2-CG2 4.14Å; F118-V155 HydrophobicContact CG-CB 4.27Å; F118-V155 HydrophobicContact CG-CG1 3.57Å; F118-V155 HydrophobicContact CZ-CB 4.18Å; F118-V155 HydrophobicContact CZ-CG1 4.5Å; F118-V155 HydrophobicContact CZ-CG2 4.31Å; I128-V155 HydrophobicContact CD1-CG2 4.35Å; L151-V155 HydrophobicContact CD1-CB 4.48Å; L151-V155 HydrophobicContact CD1-CG2 4.01Å; V155-A157 PolarHBondContact O-N 2.85Å
156	L	95.3	Very high	95.4	Very high	104 Å²	104	47.4 Å²	47.4	55%	0.545	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	114.3	176.1	-179.9	60.4	0	0	0	110.8	E91 V182	E91-L156 HydrophobicContact CB-CD1 4.14Å; L156-V182 HydrophobicContact CD1-CG2 3.5Å
157	A	96.6	Very high	95.5	Very high	7 Å²	7	51.9 Å²	51.9	6%	0.058	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	175.2	178.2	0	0	0	0	0	111	T92 F94 F118 V155	T92-A157 PolarHBondContact N-O 2.9Å; T92-A157 PolarHBondContact O-N 3.46Å; F94-A157 HydrophobicContact CD2-CB 4.14Å; F94-A157 HydrophobicContact CE2-CB 3.92Å; F94-A157 WeakPolarHBondContact CE2-O 3.32Å; F118-A157 HydrophobicContact CB-CB 3.86Å; F118-A157 HydrophobicContact CD1-CB 4.15Å; F118-A157 HydrophobicContact CG-CB 4.47Å; V155-A157 PolarHBondContact O-N 2.85Å
158	R	95.8	Very high	95.5	Very high	72 Å²	72	53.8 Å²	53.8	27%	0.272	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-34.7	169.4	174.3	176.3	166.1	-174.7	-5.1	112.4	D87 A88 S119 N120	D87-R158 IonicContact OD1-CZ 2.72Å; D87-R158 IonicContact OD1-NE 2.75Å; D87-R158 PolarHBondContact OD1-NE 2.66Å; D87-R158 IonicContact OD1-NH2 2.76Å; D87-R158 PolarHBondContact OD1-NH2 3.26Å; D87-R158 IonicContact OD2-CZ 3.84Å; D87-R158 IonicContact OD2-NE 3.59Å; D87-R158 IonicContact OD2-NH2 3.18Å; D87-R158 PolarHBondContact OD2-NH2 2.93Å; A88-R158 VanDerWaalsContact CB-O 3.28Å; A88-R158 WeakPolarHBondContact CB-O 3.38Å; A88-R158 PolarHBondContact N-O 2.77Å; S119-R158 PolarHBondContact O-N 2.83Å; S119-R158 VanDerWaalsContact O-N 3.13Å; N120-R158 VanDerWaalsContact OD1-CB 3.27Å; N120-R158 WeakPolarHBondContact OD1-CB 3.41Å
159	Y	98.1	Very high	95.5	Very high	28 Å²	28	54.1 Å²	54.1	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.3	-177	-58.8	-95.1	0	0	0	110.3	E85 V86 D87 F118 S119	E85-Y159 HydrophobicContact CG-CD1 4.5Å; V86-Y159 WeakPolarHBondContact O-CA 3.35Å; D87-Y159 HydrophobicContact CB-CD1 3.87Å; D87-Y159 HydrophobicContact CB-CE1 3.56Å; D87-Y159 VanDerWaalsContact CG-CE1 3.46Å; F118-Y159 WeakPolarHBondContact CA-O 3.47Å; S119-Y159 PolarHBondContact N-O 2.63Å; S119-Y159 PolarHBondContact O-N 3.44Å
160	I	98.2	Very high	95.5	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.7	167.5	-175.4	174.7	0	0	0	108.8	E85 V86 F94 V97 L116 F118 V177	E85-I160 WeakPolarHBondContact CA-O 3.45Å; V86-I160 HydrophobicContact CB-CG2 3.88Å; V86-I160 HydrophobicContact CG2-CG2 4.47Å; V86-I160 PolarHBondContact N-O 3.04Å; V86-I160 PolarHBondContact O-N 2.93Å; F94-I160 HydrophobicContact CD1-CB 4.25Å; F94-I160 HydrophobicContact CD1-CD1 4.27Å; F94-I160 HydrophobicContact CD1-CG2 4.19Å; F94-I160 HydrophobicContact CE1-CB 3.95Å; F94-I160 HydrophobicContact CE1-CG2 3.62Å; F94-I160 HydrophobicContact CE2-CB 4.23Å; F94-I160 HydrophobicContact CG-CD1 4.49Å; F94-I160 HydrophobicContact CZ-CB 3.93Å; F94-I160 HydrophobicContact CZ-CG2 3.9Å; V97-I160 HydrophobicContact CG2-CD1 3.76Å; L116-I160 HydrophobicContact CD2-CD1 4.41Å; F118-I160 HydrophobicContact CD1-CB 4.17Å; F118-I160 HydrophobicContact CD1-CG1 4.11Å; F118-I160 HydrophobicContact CE1-CB 4.02Å; F118-I160 HydrophobicContact CE1-CD1 3.64Å; F118-I160 HydrophobicContact CE1-CG1 3.6Å; F118-I160 HydrophobicContact CZ-CD1 3.95Å; F118-I160 HydrophobicContact CZ-CG1 4.07Å; I160-V177 HydrophobicContact CD1-CG1 4.2Å; I160-V177 HydrophobicContact CG2-CG1 4.11Å; I160-V177 HydrophobicContact CG2-CG2 4.29Å
161	R	97.6	Very high	95.6	Very high	40 Å²	40	51.2 Å²	51.2	15%	0.151	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.5	177.9	-177.8	-178.2	-81.7	-163.9	-4.3	110.4	W83 F84 E85 A117 W125 I163	W83-R161 HydrophobicContact CB-CG 3.69Å; W83-R161 VanDerWaalsContact CD2-CZ 3.48Å; W83-R161 HydrophobicContact CE3-CG 4.43Å; W83-R161 HydrophobicContact CG-CG 4.28Å; F84-R161 CarbonylContact O-C 3.53Å; F84-R161 VanDerWaalsContact O-CA 3.22Å; F84-R161 WeakPolarHBondContact O-CA 3.22Å; F84-R161 WeakPolarHBondContact O-CG 3.47Å; E85-R161 IonicContact OE2-CZ 3.7Å; E85-R161 VanDerWaalsContact OE2-CZ 3.23Å; E85-R161 IonicContact OE2-NE 3.78Å; E85-R161 PolarHBondContact OE2-NE 3.3Å; E85-R161 IonicContact OE2-NH2 2.66Å; E85-R161 PolarHBondContact OE2-NH2 3.35Å; A117-R161 HydrophobicContact CB-CB 4.49Å; A117-R161 PolarHBondContact N-O 3.22Å; A117-R161 PolarHBondContact O-N 2.81Å; W125-R161 HydrophobicContact CE3-CB 3.89Å; W125-R161 HydrophobicContact CH2-CB 3.71Å; W125-R161 HydrophobicContact CZ3-CB 3.34Å; W125-R161 HydrophobicContact CZ3-CG 4.47Å; R161-I163 HydrophobicContact CG-CG1 4.04Å
162	I	97.9	Very high	95.8	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.1	172.3	-57.5	73.8	0	0	0	107.3	W83 F84 V97 Y114 L116 M173 L175	W83-I162 VanDerWaalsContact CA-O 3.28Å; W83-I162 WeakPolarHBondContact CA-O 3.27Å; F84-I162 HydrophobicContact CD1-CD1 4.38Å; F84-I162 PolarHBondContact N-O 2.84Å; F84-I162 PolarHBondContact O-N 3.4Å; V97-I162 HydrophobicContact CG1-CG1 4.45Å; Y114-I162 HydrophobicContact CD2-CG2 3.85Å; Y114-I162 HydrophobicContact CG-CG2 3.91Å; L116-I162 HydrophobicContact CD2-CB 4.39Å; L116-I162 HydrophobicContact CD2-CG1 3.84Å; I162-M173 HydrophobicContact CG2-CE 3.99Å; I162-M173 HydrophobicContact CG2-SD 4.21Å; I162-L175 HydrophobicContact CD1-CD1 4.26Å
163	I	97.3	Very high	96.1	Very high	40 Å²	40	46.6 Å²	46.6	21%	0.205	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	89.1	-176.5	-48.4	178.2	0	0	0	108.9	W83 Y114 F115 A117 R161 Q165	W83-I163 HydrophobicContact CB-CG1 4.45Å; Y114-I163 WeakPolarHBondContact CA-O 3.41Å; F115-I163 HydrophobicContact CB-CB 4.35Å; F115-I163 PolarHBondContact N-O 3.18Å; F115-I163 PolarHBondContact O-N 3.36Å; A117-I163 HydrophobicContact CB-CD1 3.86Å; R161-I163 HydrophobicContact CG-CG1 4.04Å; I163-Q165 PolarHBondContact O-N 3.33Å; I163-Q165 PolarHBondContact O-NE2 3.14Å
164	P	97.4	Very high	96.5	Very high	7 Å²	7	39.5 Å²	39.5	5%	0.045	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	135.2	-179.1	-26.3	36.9	0	0	0	112.9	V111 W167 L171 M173	V111-P164 HydrophobicContact CG1-CB 4Å; V111-P164 HydrophobicContact CG1-CG 4.46Å; V111-P164 HydrophobicContact CG2-CB 4.02Å; V111-P164 HydrophobicContact CG2-CG 4.15Å; P164-W167 HydrophobicContact CB-CE3 4.49Å; P164-L171 HydrophobicContact CB-CD1 4.11Å; P164-L171 HydrophobicContact CB-CD2 4.37Å; P164-L171 HydrophobicContact CB-CG 4.32Å; P164-L171 HydrophobicContact CG-CD1 4.48Å; P164-L171 HydrophobicContact CG-CD2 4.14Å; P164-M173 HydrophobicContact CG-SD 4.09Å
165	Q	96.3	Very high	96.7	Very high	88 Å²	88	37.2 Å²	37.2	41%	0.411	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-33.5	-179.9	-61.6	-52.9	-63.4	0	0	112.5	S113 F115 L136 I163	S113-Q165 PolarHBondContact O-N 3.28Å; F115-Q165 HydrophobicContact CD2-CG 3.52Å; F115-Q165 HydrophobicContact CE2-CG 3.54Å; F115-Q165 HydrophobicContact CG-CG 4.19Å; F115-Q165 HydrophobicContact CZ-CG 4.22Å; L136-Q165 HydrophobicContact CD1-CB 4.11Å; L136-Q165 HydrophobicContact CD1-CG 3.84Å; I163-Q165 PolarHBondContact O-N 3.33Å; I163-Q165 PolarHBondContact O-NE2 3.14Å
166	S	96.9	Very high	96.8	Very high	45 Å²	45	35.6 Å²	35.6	32%	0.315	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	152.4	174.8	64.8	0	0	0	0	111.2	T112 S113	T112-S166 PolarHBondContact N-O 3.03Å; T112-S166 WeakPolarHBondContact OG1-CB 3.28Å; T112-S166 PolarHBondContact OG1-O 3.4Å; T112-S166 VanDerWaalsContact OG1-O 3.11Å; T112-S166 PolarHBondContact OG1-OG 3.35Å; S113-S166 PolarHBondContact N-O 2.9Å; S113-S166 PolarHBondContact N-OG 3.1Å; S113-S166 PolarHBondContact O-N 3.33Å; S113-S166 PolarHBondContact OG-OG 2.67Å
167	W	97.5	Very high	96.9	Very high	100 Å²	100	30.7 Å²	30.7	38%	0.379	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	163.5	-178.6	54.5	91.5	0	0	0	110.7	H82 F110 V111 T112 P164 G169 L171	H82-W167 AromaticContact CD2-CH2 3.8Å; H82-W167 AromaticContact NE2-CH2 3.91Å; F110-W167 CarbonylContact O-C 3.48Å; F110-W167 WeakPolarHBondContact O-CA 3.46Å; F110-W167 VanDerWaalsContact O-CB 3.24Å; F110-W167 WeakPolarHBondContact O-CB 3.37Å; V111-W167 HydrophobicContact CG2-CB 4.38Å; T112-W167 PolarHBondContact OG1-N 3.12Å; P164-W167 HydrophobicContact CB-CE3 4.49Å; W167-G169 VanDerWaalsContact CD1-O 3.3Å; W167-L171 HydrophobicContact CD2-CB 3.8Å; W167-L171 HydrophobicContact CD2-CD1 4.13Å; W167-L171 HydrophobicContact CD2-CG 3.86Å; W167-L171 HydrophobicContact CE3-CB 4.31Å; W167-L171 HydrophobicContact CE3-CD1 3.79Å; W167-L171 HydrophobicContact CE3-CG 3.88Å; W167-L171 HydrophobicContact CG-CB 3.99Å; W167-L171 HydrophobicContact CG-CG 4.24Å; W167-L171 HydrophobicContact CH2-CD1 3.94Å; W167-L171 HydrophobicContact CZ2-CB 4.29Å; W167-L171 HydrophobicContact CZ2-CD1 4.26Å; W167-L171 HydrophobicContact CZ3-CD1 3.7Å; W167-L171 HydrophobicContact CZ3-CG 4.31Å
168	N	97.4	Very high	96.9	Very high	78 Å²	78	30.3 Å²	30.3	42%	0.417	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	141.2	168.1	-175.1	74.4	0	0	0	109.2	S108 D109 F110	S108-N168 PolarHBondContact O-ND2 2.88Å; D109-N168 WeakPolarHBondContact CA-O 3.31Å; F110-N168 HydrophobicContact CD1-CB 4.08Å; F110-N168 HydrophobicContact CD2-CB 4.22Å; F110-N168 HydrophobicContact CE1-CB 3.69Å; F110-N168 HydrophobicContact CE2-CB 3.85Å; F110-N168 HydrophobicContact CG-CB 4.34Å; F110-N168 HydrophobicContact CZ-CB 3.56Å; F110-N168 PolarHBondContact N-O 2.78Å; F110-N168 VanDerWaalsContact N-O 3.15Å; F110-N168 PolarHBondContact O-N 2.93Å
169	G	94.9	Very high	96.8	Very high	54 Å²	54	26.9 Å²	26.9	56%	0.557	15%	0.149	S	C	*	.	S	Bend	trans	65.9	-131.5	-176.2	0	0	0	0	0	112.1	W167	W167-G169 VanDerWaalsContact CD1-O 3.3Å
170	S	94.1	Very high	96.5	Very high	62 Å²	62	27.6 Å²	27.6	43%	0.434	16%	0.158	S	C	.	.	S	Bend	trans	-77.9	154.5	169.8	-52.4	0	0	0	0	111.2	D109 C172	D109-S170 WeakPolarHBondContact OD1-CB 3.47Å; D109-S170 PolarHBondContact OD1-N 3.03Å; D109-S170 PolarHBondContact OD1-OG 2.89Å; S170-C172 VanDerWaalsContact C-N 3.35Å; S170-C172 PolarHBondContact O-N 3.46Å
171	L	96.7	Very high	96.1	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.052	17%	0.17	C	C	.	.	S	Bend	trans	-73	94.1	170.4	-166.7	175.3	0	0	0	108.4	W73 C74 A75 H82 V111 P164 W167	W73-L171 HydrophobicContact CH2-CD2 4.02Å; W73-L171 HydrophobicContact CZ3-CD2 3.95Å; C74-L171 CarbonylContact C-O 3.51Å; C74-L171 WeakPolarHBondContact CA-O 3.34Å; A75-L171 HydrophobicContact CB-CB 4.35Å; A75-L171 HydrophobicContact CB-CD1 4.04Å; A75-L171 HydrophobicContact CB-CD2 4Å; A75-L171 HydrophobicContact CB-CG 4.36Å; A75-L171 PolarHBondContact N-O 3.05Å; H82-L171 HydrophobicContact CB-CD1 3.5Å; H82-L171 WeakPolarHBondContact CD2-CD1 3.49Å; V111-L171 HydrophobicContact CG2-CD2 4.17Å; V111-L171 HydrophobicContact CG2-CG 4.47Å; P164-L171 HydrophobicContact CB-CD1 4.11Å; P164-L171 HydrophobicContact CB-CD2 4.37Å; P164-L171 HydrophobicContact CB-CG 4.32Å; P164-L171 HydrophobicContact CG-CD1 4.48Å; P164-L171 HydrophobicContact CG-CD2 4.14Å; W167-L171 HydrophobicContact CD2-CB 3.8Å; W167-L171 HydrophobicContact CD2-CD1 4.13Å; W167-L171 HydrophobicContact CD2-CG 3.86Å; W167-L171 HydrophobicContact CE3-CB 4.31Å; W167-L171 HydrophobicContact CE3-CD1 3.79Å; W167-L171 HydrophobicContact CE3-CG 3.88Å; W167-L171 HydrophobicContact CG-CB 3.99Å; W167-L171 HydrophobicContact CG-CG 4.24Å; W167-L171 HydrophobicContact CH2-CD1 3.94Å; W167-L171 HydrophobicContact CZ2-CB 4.29Å; W167-L171 HydrophobicContact CZ2-CD1 4.26Å; W167-L171 HydrophobicContact CZ3-CD1 3.7Å; W167-L171 HydrophobicContact CZ3-CG 4.31Å
172	C	96.8	Very high	95.7	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.9	173.6	-59.4	0	0	0	0	111.2	A72 W73 C74 R102 D109 F110 V111 S170	A72-C172 HydrophobicContact CB-CB 3.94Å; W73-C172 CarbonylContact O-C 3.54Å; W73-C172 WeakPolarHBondContact O-CA 3.49Å; C74-C172 HydrophobicContact CB-CB 4.07Å; C74-C172 WeakPolarHBondContact CB-SG 3.41Å; C74-C172 WeakPolarHBondContact SG-CB 3.45Å; C74-C172 CovalentContact SG-SG 2.04Å; C74-C172 PolarHBondContact SG-SG 3.38Å; R102-C172 HydrophobicContact CB-CB 3.94Å; D109-C172 HydrophobicContact CB-CB 3.64Å; F110-C172 WeakPolarHBondContact CA-O 3.21Å; V111-C172 PolarHBondContact N-O 2.92Å; S170-C172 VanDerWaalsContact C-N 3.35Å; S170-C172 PolarHBondContact O-N 3.46Å
173	M	96.8	Very high	94.9	Very high	1 Å²	1	34 Å²	34	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	151.2	172.9	60	179	-57.6	0	0	113.7	W73 T99 V111 I162 P164 L175	W73-M173 HydrophobicContact CE3-CG 3.55Å; W73-M173 HydrophobicContact CE3-SD 4.14Å; W73-M173 HydrophobicContact CZ3-CG 3.76Å; W73-M173 HydrophobicContact CZ3-SD 3.79Å; W73-M173 PolarHBondContact N-O 3.17Å; W73-M173 PolarHBondContact O-N 2.97Å; T99-M173 HydrophobicContact CG2-CE 4.01Å; V111-M173 HydrophobicContact CB-CB 4.44Å; V111-M173 HydrophobicContact CG2-CB 3.95Å; V111-M173 HydrophobicContact CG2-CG 4.28Å; V111-M173 HydrophobicContact CG2-SD 4.16Å; I162-M173 HydrophobicContact CG2-CE 3.99Å; I162-M173 HydrophobicContact CG2-SD 4.21Å; P164-M173 HydrophobicContact CG-SD 4.09Å; M173-L175 HydrophobicContact CE-CB 4.08Å; M173-L175 HydrophobicContact CE-CD2 3.55Å; M173-L175 HydrophobicContact CE-CG 4.44Å; M173-L175 HydrophobicContact SD-CD2 4.44Å
174	R	97.7	Very high	93.6	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	151.9	161.7	-70.9	-178.6	-69.1	178.8	1.2	108.5	A55 R56 M59 G71 A72 T99 Q100 G101 K143	A55-R174 CarbonylContact O-C 3.59Å; A55-R174 VanDerWaalsContact O-CA 3.31Å; A55-R174 WeakPolarHBondContact O-CA 3.47Å; R56-R174 WeakPolarHBondContact O-CB 3.31Å; R56-R174 WeakPolarHBondContact O-CD 3.36Å; R56-R174 VanDerWaalsContact O-CG 3.27Å; R56-R174 WeakPolarHBondContact O-CG 3.16Å; M59-R174 HydrophobicContact CB-CG 4.32Å; M59-R174 WeakPolarHBondContact O-CD 3.47Å; M59-R174 PolarHBondContact O-NH1 3.35Å; G71-R174 WeakPolarHBondContact O-CD 3.49Å; A72-R174 HydrophobicContact CB-CG 4.11Å; T99-R174 CarbonylContact C-O 3.57Å; T99-R174 WeakPolarHBondContact CA-O 3.49Å; Q100-R174 HydrophobicContact CB-CB 4.09Å; Q100-R174 VanDerWaalsContact CD-CZ 3.48Å; Q100-R174 VanDerWaalsContact CD-NH2 3.34Å; Q100-R174 PolarHBondContact N-O 2.88Å; Q100-R174 PolarHBondContact O-N 3.06Å; Q100-R174 VanDerWaalsContact O-O 3.14Å; G101-R174 PolarHBondContact O-NE 3.04Å; G101-R174 PolarHBondContact O-NH2 3.42Å; K143-R174 PolarHBondContact O-NH2 3.46Å
175	L	97.2	Very high	92	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	159.4	-176.8	69.2	109.8	0	0	0	114.5	M30 A55 L57 F84 V97 V98 I162 M173 V177	M30-L175 VanDerWaalsContact CB-O 3.26Å; M30-L175 WeakPolarHBondContact CB-O 3.05Å; M30-L175 HydrophobicContact CE-CD1 3.97Å; M30-L175 HydrophobicContact CE-CG 4.11Å; M30-L175 HydrophobicContact CG-CD1 4.32Å; M30-L175 WeakPolarHBondContact CG-O 3.32Å; A55-L175 HydrophobicContact CB-CD2 4.14Å; A55-L175 PolarHBondContact O-N 2.61Å; L57-L175 PolarHBondContact N-O 2.99Å; F84-L175 HydrophobicContact CD1-CD2 3.61Å; F84-L175 HydrophobicContact CE1-CD1 4.4Å; F84-L175 HydrophobicContact CE1-CD2 3.83Å; F84-L175 HydrophobicContact CG-CD2 4.13Å; V97-L175 HydrophobicContact CG1-CB 4.46Å; V98-L175 CarbonylContact O-C 3.6Å; V98-L175 WeakPolarHBondContact O-CA 3.3Å; V98-L175 VanDerWaalsContact O-CB 3.28Å; V98-L175 WeakPolarHBondContact O-CB 3.17Å; I162-L175 HydrophobicContact CD1-CD1 4.26Å; M173-L175 HydrophobicContact CE-CB 4.08Å; M173-L175 HydrophobicContact CE-CD2 3.55Å; M173-L175 HydrophobicContact CE-CG 4.44Å; M173-L175 HydrophobicContact SD-CD2 4.44Å; L175-V177 HydrophobicContact CD1-CG2 3.69Å
176	E	97.2	Very high	90.3	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.023	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.2	164	-178.7	57.6	-97.7	0	0	109.2	P27 G29 M30 E31 L57 V97 V98	P27-E176 HydrophobicContact CB-CG 3.83Å; P27-E176 HydrophobicContact CG-CG 4.32Å; G29-E176 PolarHBondContact N-OE1 3.34Å; G29-E176 VanDerWaalsContact N-OE1 3.11Å; M30-E176 WeakPolarHBondContact CA-OE2 3.3Å; M30-E176 WeakPolarHBondContact CB-OE2 3.45Å; M30-E176 WeakPolarHBondContact CG-OE1 3.47Å; M30-E176 VanDerWaalsContact N-CD 3.28Å; M30-E176 PolarHBondContact N-OE1 2.83Å; M30-E176 PolarHBondContact N-OE2 2.77Å; E31-E176 PolarHBondContact N-OE2 2.92Å; L57-E176 HydrophobicContact CB-CB 4.05Å; L57-E176 HydrophobicContact CD2-CB 3.89Å; V97-E176 WeakPolarHBondContact CA-O 3.46Å; V98-E176 HydrophobicContact CB-CB 4.22Å; V98-E176 HydrophobicContact CG2-CB 4.49Å; V98-E176 PolarHBondContact N-O 3.12Å; V98-E176 PolarHBondContact O-N 2.78Å
177	V	96.7	Very high	88.2	Confident	0 Å²	0	40 Å²	40	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.3	179.6	-178.7	0	0	0	0	109.3	L28 V86 F94 I160 L175	L28-V177 HydrophobicContact CD1-CB 4.14Å; L28-V177 HydrophobicContact CD1-CG1 3.72Å; L28-V177 HydrophobicContact CG-CG1 4.48Å; L28-V177 PolarHBondContact N-O 3.48Å; V86-V177 HydrophobicContact CG2-CG2 4.23Å; F94-V177 HydrophobicContact CD1-CG1 3.61Å; F94-V177 HydrophobicContact CE1-CG1 3.82Å; I160-V177 HydrophobicContact CD1-CG1 4.2Å; I160-V177 HydrophobicContact CG2-CG1 4.11Å; I160-V177 HydrophobicContact CG2-CG2 4.29Å; L175-V177 HydrophobicContact CD1-CG2 3.69Å
178	L	96	Very high	86	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.3	176.3	-50.7	-179.9	0	0	0	109.9	P26 P27 T95 G96 M148 E323	P26-L178 WeakPolarHBondContact O-CA 3.24Å; P27-L178 HydrophobicContact CB-CD2 4.49Å; P27-L178 HydrophobicContact CG-CD2 4Å; T95-L178 PolarHBondContact N-O 3.13Å; T95-L178 WeakPolarHBondContact OG1-CB 3.43Å; T95-L178 PolarHBondContact OG1-O 2.89Å; G96-L178 PolarHBondContact O-N 2.73Å; M148-L178 HydrophobicContact CE-CD1 4.1Å; M148-L178 HydrophobicContact CG-CD1 4.32Å; M148-L178 HydrophobicContact SD-CD1 4.03Å; L178-E323 HydrophobicContact CD2-CG 4.36Å
179	G	94.4	Very high	83.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175	153.8	178.2	0	0	0	0	0	115.7	P26 L28 E93	P26-G179 PolarHBondContact O-N 2.93Å; L28-G179 WeakPolarHBondContact CD2-O 3.29Å; E93-G179 CarbonylContact O-C 3.53Å; E93-G179 WeakPolarHBondContact O-CA 3.27Å
180	C	92.3	Very high	81.4	Confident	42 Å²	42	48 Å²	48	28%	0.284	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	110.3	178.2	-69.4	0	0	0	0	109.5	C25 E93 V182	C25-C180 VanDerWaalsContact CA-SG 3.53Å; C25-C180 HydrophobicContact CB-CB 4.02Å; C25-C180 WeakPolarHBondContact CB-SG 3.27Å; C25-C180 WeakPolarHBondContact SG-CB 3.38Å; C25-C180 PolarHBondContact SG-N 2.88Å; C25-C180 CovalentContact SG-SG 2.03Å; C25-C180 PolarHBondContact SG-SG 3.36Å; E93-C180 HydrophobicContact CB-CB 4.36Å; E93-C180 PolarHBondContact N-O 3.46Å; E93-C180 PolarHBondContact O-N 3.47Å; C180-V182 PolarHBondContact O-N 3.48Å
181	P	90	Very high	79.1	Confident	43 Å²	43	51.6 Å²	51.6	28%	0.279	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129	175.9	-21.8	34.1	0	0	0	111.6	L28 R90 T92	L28-P181 HydrophobicContact CD2-CG 4.12Å; R90-P181 HydrophobicContact CG-CB 4.09Å; R90-P181 VanDerWaalsContact CZ-CB 3.41Å; T92-P181 HydrophobicContact CG2-CG 4.47Å
182	V	89	Confident	76.6	Confident	55 Å²	55	58.8 Å²	58.8	33%	0.333	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-70.9	133.8	-177.2	-179.8	0	0	0	0	110.1	E91 L156 C180 D184	E91-V182 PolarHBondContact O-N 3.3Å; L156-V182 HydrophobicContact CD1-CG2 3.5Å; C180-V182 PolarHBondContact O-N 3.48Å; V182-D184 PolarHBondContact O-N 3.02Å
183	P	79.5	Confident	74.4	Confident	80 Å²	80	65.8 Å²	65.8	52%	0.519	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-63.6	118.7	173.6	-23.9	35	0	0	0	112.2	P185	P183-P185 WeakPolarHBondContact O-CD 3.46Å
184	D	71.5	Confident	72.6	Confident	111 Å²	111	70.5 Å²	70.5	59%	0.594	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-68.5	123.4	170.3	176.4	6.9	0	0	0	110.4	V182 G186 G187	V182-D184 PolarHBondContact O-N 3.02Å; D184-G186 PolarHBondContact O-N 3.45Å; D184-G186 PolarHBondContact OD1-N 2.83Å; D184-G187 WeakPolarHBondContact O-CA 3.38Å; D184-G187 PolarHBondContact O-N 2.89Å; D184-G187 PolarHBondContact OD2-N 3.41Å
185	P	63.9	Low	71	Confident	129 Å²	129	73 Å²	73	84%	0.838	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.7	173.2	-24.7	35.2	0	0	0	114.5	P183	P183-P185 WeakPolarHBondContact O-CD 3.46Å
186	G	60.8	Low	69.6	Low	52 Å²	52	78.3 Å²	78.3	54%	0.536	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-18.4	172.1	0	0	0	0	0	113.9	D184 A188	D184-G186 PolarHBondContact O-N 3.45Å; D184-G186 PolarHBondContact OD1-N 2.83Å; G186-A188 VanDerWaalsContact C-N 3.25Å; G186-A188 PolarHBondContact O-N 2.83Å
187	G	52.1	Low	68.5	Low	14 Å²	14	81.6 Å²	81.6	14%	0.144	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-75.7	0.3	-174.5	0	0	0	0	0	115.7	D184 L189 Y190 R191	D184-G187 WeakPolarHBondContact O-CA 3.38Å; D184-G187 PolarHBondContact O-N 2.89Å; D184-G187 PolarHBondContact OD2-N 3.41Å; G187-L189 PolarHBondContact O-N 3.38Å; G187-L189 VanDerWaalsContact O-N 3.08Å; G187-Y190 PolarHBondContact O-N 2.78Å; G187-R191 PolarHBondContact O-N 3.04Å
188	A	50.9	Low	67.7	Low	74 Å²	74	84.5 Å²	84.5	61%	0.612	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-57.3	-25.3	-179.6	0	0	0	0	0	113.9	G186	G186-A188 VanDerWaalsContact C-N 3.25Å; G186-A188 PolarHBondContact O-N 2.83Å
189	L	48.3	Very low	66.9	Low	133 Å²	133	92.8 Å²	92.8	70%	0.696	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-76.1	-29.3	173.5	-76.7	159.7	0	0	0	113.3	G187	G187-L189 PolarHBondContact O-N 3.38Å; G187-L189 VanDerWaalsContact O-N 3.08Å
190	Y	47.7	Very low	66.4	Low	191 Å²	191	96.5 Å²	96.5	75%	0.749	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-81.2	-20.4	179	-73.8	-81.1	0	0	0	113.3	G187 Q192 N193	G187-Y190 PolarHBondContact O-N 2.78Å; Y190-Q192 PolarHBondContact O-N 3.44Å; Y190-Q192 VanDerWaalsContact O-N 3.15Å; Y190-N193 PolarHBondContact O-N 3.08Å
191	R	46.1	Very low	66.4	Low	139 Å²	139	95 Å²	95	53%	0.525	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-62.6	-14.5	173.1	-74.1	-158.3	164	152.4	-2.3	114.8	G187 N193 E194	G187-R191 PolarHBondContact O-N 3.04Å; R191-N193 PolarHBondContact O-N 2.88Å; R191-N193 VanDerWaalsContact O-N 3.14Å; R191-E194 WeakPolarHBondContact CD-OE2 3.48Å; R191-E194 VanDerWaalsContact CG-OE2 3.32Å; R191-E194 WeakPolarHBondContact CG-OE2 3.42Å; R191-E194 IonicContact NE-OE2 2.88Å; R191-E194 PolarHBondContact NE-OE2 3.36Å; R191-E194 PolarHBondContact O-N 2.86Å; R191-E194 VanDerWaalsContact O-N 3.1Å
192	Q	44	Very low	66.5	Low	161 Å²	161	97 Å²	97	75%	0.752	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-62.6	-17.2	175	-69.6	-172.4	-32.7	0	0	113.4	Y190	Y190-Q192 PolarHBondContact O-N 3.44Å; Y190-Q192 VanDerWaalsContact O-N 3.15Å
193	N	49.3	Very low	66.8	Low	148 Å²	148	96.3 Å²	96.3	79%	0.791	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-107.4	4.4	176.4	-63.5	-12	0	0	0	113.3	Y190 R191	Y190-N193 PolarHBondContact O-N 3.08Å; R191-N193 PolarHBondContact O-N 2.88Å; R191-N193 VanDerWaalsContact O-N 3.14Å
194	E	59.8	Low	67.5	Low	99 Å²	99	94.7 Å²	94.7	46%	0.463	51%	0.507	S	S	.	.	S	Bend	trans	-74	129	170.5	-74.3	-176.5	156.2	0	0	108.8	R191 T196	R191-E194 WeakPolarHBondContact CD-OE2 3.48Å; R191-E194 VanDerWaalsContact CG-OE2 3.32Å; R191-E194 WeakPolarHBondContact CG-OE2 3.42Å; R191-E194 IonicContact NE-OE2 2.88Å; R191-E194 PolarHBondContact NE-OE2 3.36Å; R191-E194 PolarHBondContact O-N 2.86Å; R191-E194 VanDerWaalsContact O-N 3.1Å; E194-T196 PolarHBondContact O-N 3.46Å
195	V	64.1	Low	68.7	Low	56 Å²	56	90.1 Å²	90.1	34%	0.339	48%	0.482	S	S	.	.			trans	-65	102.4	175.4	-179.6	0	0	0	0	108.4	P197 Q604 E607	V195-P197 WeakPolarHBondContact O-CD 3.48Å; V195-Q604 HydrophobicContact CB-CG 4.41Å; V195-Q604 HydrophobicContact CG2-CG 4.44Å; V195-E607 HydrophobicContact CG1-CB 3.88Å; V195-E607 HydrophobicContact CG1-CG 4.34Å; V195-E607 HydrophobicContact CG2-CB 4.17Å; V195-E607 HydrophobicContact CG2-CG 4.29Å
196	T	67.9	Low	70.3	Confident	113 Å²	113	84 Å²	84	69%	0.693	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-73.8	118.8	172.8	51.7	0	0	0	0	109	E194 V198	E194-T196 PolarHBondContact O-N 3.46Å; T196-V198 PolarHBondContact O-N 3.39Å
197	P	75	Confident	72.1	Confident	74 Å²	74	82.1 Å²	82.1	48%	0.481	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-54.3	139	171.8	-23.5	34.5	0	0	0	110.3	V195 F203 A603	V195-P197 WeakPolarHBondContact O-CD 3.48Å; P197-F203 HydrophobicContact CB-CD2 3.71Å; P197-F203 HydrophobicContact CB-CE2 3.68Å; P197-A603 HydrophobicContact CB-CB 4.34Å; P197-A603 HydrophobicContact CG-CB 3.95Å
198	V	79.6	Confident	74.3	Confident	61 Å²	61	83.3 Å²	83.3	37%	0.37	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-85.6	124.6	178.3	-165	0	0	0	0	108.9	T196 Y200 L201	T196-V198 PolarHBondContact O-N 3.39Å; V198-Y200 HydrophobicContact CB-CE1 4.42Å; V198-Y200 HydrophobicContact CG1-CD1 3.55Å; V198-Y200 HydrophobicContact CG1-CE1 3.42Å; V198-Y200 VanDerWaalsContact CG1-CE1 3.42Å; V198-Y200 HydrophobicContact CG1-CG 4.47Å; V198-Y200 PolarHBondContact O-N 3.27Å; V198-L201 HydrophobicContact CB-CD1 4.35Å; V198-L201 PolarHBondContact O-N 2.97Å
199	D	79.2	Confident	76.5	Confident	173 Å²	173	83 Å²	83	93%	0.925	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-17.3	-169	-64	-25.2	0	0	0	116.3
200	Y	84.3	Confident	78.9	Confident	78 Å²	78	79.4 Å²	79.4	31%	0.306	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-2	178.4	72.7	-104.3	0	0	0	114.3	V198 Y282 K285 E286	V198-Y200 HydrophobicContact CB-CE1 4.42Å; V198-Y200 HydrophobicContact CG1-CD1 3.55Å; V198-Y200 HydrophobicContact CG1-CE1 3.42Å; V198-Y200 VanDerWaalsContact CG1-CE1 3.42Å; V198-Y200 HydrophobicContact CG1-CG 4.47Å; V198-Y200 PolarHBondContact O-N 3.27Å; Y200-Y282 WeakPolarHBondContact OH-CD2 3.38Å; Y200-K285 HydrophobicContact CD1-CG 4.3Å; Y200-K285 HydrophobicContact CD2-CB 4.05Å; Y200-K285 HydrophobicContact CD2-CG 3.85Å; Y200-K285 HydrophobicContact CE1-CG 4.21Å; Y200-K285 HydrophobicContact CE2-CB 3.83Å; Y200-K285 HydrophobicContact CE2-CG 3.8Å; Y200-K285 HydrophobicContact CG-CG 4.13Å; Y200-E286 PolarHBondContact OH-OE1 2.88Å
201	L	91.8	Very high	81.3	Confident	12 Å²	12	70.4 Å²	70.4	6%	0.063	36%	0.359	C	S	.	.	S	Bend	trans	-109.1	125.1	-179.7	-68.7	178.5	0	0	0	110.4	V198 F203 L278 Q281 W606	V198-L201 HydrophobicContact CB-CD1 4.35Å; V198-L201 PolarHBondContact O-N 2.97Å; L201-F203 HydrophobicContact CB-CD2 4.21Å; L201-F203 HydrophobicContact CB-CE1 4.47Å; L201-F203 HydrophobicContact CB-CE2 3.49Å; L201-F203 VanDerWaalsContact CB-CE2 3.49Å; L201-F203 HydrophobicContact CB-CZ 3.65Å; L201-F203 HydrophobicContact CD1-CE2 4.39Å; L201-F203 HydrophobicContact CD1-CZ 3.8Å; L201-F203 HydrophobicContact CG-CZ 4.39Å; L201-F203 WeakPolarHBondContact O-CD2 3.11Å; L201-F203 WeakPolarHBondContact O-CE2 3.38Å; L201-F203 PolarHBondContact O-N 3.47Å; L201-L278 HydrophobicContact CB-CD2 3.85Å; L201-L278 HydrophobicContact CD2-CD2 4.24Å; L201-L278 HydrophobicContact CG-CD2 4.43Å; L201-Q281 HydrophobicContact CD2-CB 3.62Å; L201-W606 HydrophobicContact CD1-CZ2 4.35Å
202	E	92.1	Very high	83.8	Confident	83 Å²	83	64.7 Å²	64.7	39%	0.388	34%	0.34	S	S	.	.			trans	-83.5	97.7	179.5	-166	169.8	-176.7	0	0	111.7	K204 H206	E202-K204 HydrophobicContact CG-CD 4.19Å; E202-K204 HydrophobicContact CG-CG 4.16Å; E202-K204 PolarHBondContact O-N 3.29Å; E202-K204 WeakPolarHBondContact OE1-CD 3.45Å; E202-K204 WeakPolarHBondContact OE1-CE 3.4Å; E202-K204 IonicContact OE1-NZ 3.79Å; E202-K204 PolarHBondContact OE1-NZ 2.98Å; E202-H206 IonicContact OE2-NE2 3.89Å
203	F	94.6	Very high	86.4	Confident	41 Å²	41	63 Å²	63	18%	0.18	33%	0.332	C	S	.	.			trans	-88.1	82.6	177.9	-60.5	-81.6	0	0	0	112	P197 L201 L278 L602 A603 W606	P197-F203 HydrophobicContact CB-CD2 3.71Å; P197-F203 HydrophobicContact CB-CE2 3.68Å; L201-F203 HydrophobicContact CB-CD2 4.21Å; L201-F203 HydrophobicContact CB-CE1 4.47Å; L201-F203 HydrophobicContact CB-CE2 3.49Å; L201-F203 VanDerWaalsContact CB-CE2 3.49Å; L201-F203 HydrophobicContact CB-CZ 3.65Å; L201-F203 HydrophobicContact CD1-CE2 4.39Å; L201-F203 HydrophobicContact CD1-CZ 3.8Å; L201-F203 HydrophobicContact CG-CZ 4.39Å; L201-F203 WeakPolarHBondContact O-CD2 3.11Å; L201-F203 WeakPolarHBondContact O-CE2 3.38Å; L201-F203 PolarHBondContact O-N 3.47Å; F203-L278 HydrophobicContact CD1-CD1 3.94Å; F203-L278 HydrophobicContact CD1-CD2 3.94Å; F203-L278 HydrophobicContact CE1-CD1 3.87Å; F203-L278 HydrophobicContact CE1-CD2 3.81Å; F203-L278 HydrophobicContact CZ-CD2 4.3Å; F203-L602 HydrophobicContact CD1-CB 4.36Å; F203-A603 HydrophobicContact CD1-CB 3.94Å; F203-A603 HydrophobicContact CE1-CB 4.06Å; F203-A603 HydrophobicContact CG-CB 4.19Å; F203-A603 HydrophobicContact CZ-CB 4.4Å; F203-W606 HydrophobicContact CE1-CB 3.81Å; F203-W606 AromaticContact CE1-CG 4Å; F203-W606 HydrophobicContact CE1-CG 4Å; F203-W606 HydrophobicContact CZ-CG 4.45Å
204	K	94.9	Very high	88.7	Confident	46 Å²	46	56.8 Å²	56.8	20%	0.2	30%	0.298	C	S	.	.	S	Bend	trans	-147.2	170.9	169.3	71.8	-179.9	-172.8	-169.2	0	109.8	E202 H206 E210 L602	E202-K204 HydrophobicContact CG-CD 4.19Å; E202-K204 HydrophobicContact CG-CG 4.16Å; E202-K204 PolarHBondContact O-N 3.29Å; E202-K204 WeakPolarHBondContact OE1-CD 3.45Å; E202-K204 WeakPolarHBondContact OE1-CE 3.4Å; E202-K204 IonicContact OE1-NZ 3.79Å; E202-K204 PolarHBondContact OE1-NZ 2.98Å; K204-H206 WeakPolarHBondContact CE-CD2 3.27Å; K204-H206 WeakPolarHBondContact CE-NE2 3.37Å; K204-H206 PolarHBondContact O-CE1 2.83Å; K204-H206 PolarHBondContact O-ND1 2.79Å; K204-E210 WeakPolarHBondContact CE-OE1 3.47Å; K204-E210 IonicContact NZ-OE1 3.21Å; K204-E210 PolarHBondContact NZ-OE1 3.13Å; K204-L602 WeakPolarHBondContact O-CD1 3.41Å
205	H	96.6	Very high	90.6	Very high	16 Å²	16	52.1 Å²	52.1	7%	0.074	28%	0.276	C	S	.	.			trans	-80.7	135.1	163.4	-66.6	-67.3	0	0	0	110.1	F318 F596 P597	H205-F318 HydrophobicContact CB-CD2 4.21Å; H205-F318 HydrophobicContact CB-CE2 3.9Å; H205-F596 HydrophobicContact CB-CE1 4.26Å; H205-F596 AromaticContact CD2-CE1 3.65Å; H205-F596 AromaticContact CE1-CD1 3.75Å; H205-F596 AromaticContact CE1-CE1 3.63Å; H205-F596 AromaticContact CG-CE1 3.6Å; H205-F596 AromaticContact ND1-CE1 3.61Å; H205-F596 AromaticContact NE2-CD1 3.78Å; H205-F596 AromaticContact NE2-CE1 3.66Å; H205-P597 PolarHBondContact CE1-O 2.88Å; H205-P597 PolarHBondContact NE2-O 3.13Å
206	H	97.7	Very high	92.2	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.282	C	S	.	.			trans	-104.8	125.3	-177.6	-66.1	79.3	0	0	0	110.9	E202 K204 E210 M211 R273 E274 L277 H314	E202-H206 IonicContact OE2-NE2 3.89Å; K204-H206 WeakPolarHBondContact CE-CD2 3.27Å; K204-H206 WeakPolarHBondContact CE-NE2 3.37Å; K204-H206 PolarHBondContact O-CE1 2.83Å; K204-H206 PolarHBondContact O-ND1 2.79Å; H206-E210 HydrophobicContact CB-CB 4.14Å; H206-M211 HydrophobicContact CB-CB 4.22Å; H206-R273 PolarHBondContact O-NE 2.72Å; H206-R273 PolarHBondContact O-NH2 3.46Å; H206-E274 IonicContact CE1-OE2 2.71Å; H206-E274 IonicContact CG-OE2 3.39Å; H206-E274 PolarHBondContact N-OE1 3.02Å; H206-E274 IonicContact ND1-OE1 3.55Å; H206-E274 IonicContact ND1-OE2 3.47Å; H206-E274 PolarHBondContact ND1-OE2 3.03Å; H206-L277 HydrophobicContact CB-CD1 4.14Å; H206-H314 PolarHBondContact O-NE2 3Å
207	S	97.6	Very high	93.7	Very high	12 Å²	12	52.1 Å²	52.1	8%	0.084	27%	0.27	C	S	.	.			trans	-57.5	165.2	162.7	62.6	0	0	0	0	111.1	S209 E210 M211 R273	S207-S209 PolarHBondContact O-N 2.86Å; S207-S209 PolarHBondContact OG-OG 3.19Å; S207-E210 VanDerWaalsContact CB-OE2 3.29Å; S207-E210 WeakPolarHBondContact CB-OE2 3.46Å; S207-E210 PolarHBondContact N-OE2 3Å; S207-E210 PolarHBondContact O-N 3.46Å; S207-E210 VanDerWaalsContact OG-CG 3.31Å; S207-E210 WeakPolarHBondContact OG-CG 3.39Å; S207-E210 PolarHBondContact OG-N 2.87Å; S207-E210 PolarHBondContact OG-OE2 3.25Å; S207-M211 WeakPolarHBondContact O-CB 3.46Å; S207-M211 PolarHBondContact O-N 3.33Å; S207-R273 PolarHBondContact O-NH2 2.98Å
208	Y	98.4	Very high	94.8	Very high	39 Å²	39	48.8 Å²	48.8	15%	0.153	25%	0.249	C	C	.	.	H	α-helix	trans	-55.7	-39.6	175.9	176.6	-92	0	0	0	112.4	M211 V212 R238 E239 P311 E315	Y208-M211 HydrophobicContact CD2-CE 3.71Å; Y208-M211 HydrophobicContact CE2-CE 3.79Å; Y208-V212 HydrophobicContact CE1-CG2 4.01Å; Y208-V212 HydrophobicContact CE2-CG2 4.33Å; Y208-V212 VanDerWaalsContact O-CG2 3.3Å; Y208-V212 WeakPolarHBondContact O-CG2 3.43Å; Y208-V212 PolarHBondContact O-N 2.89Å; Y208-V212 VanDerWaalsContact O-N 3.15Å; Y208-R238 HydrophobicContact CD1-CG 4.37Å; Y208-R238 HydrophobicContact CD2-CB 4.32Å; Y208-R238 HydrophobicContact CD2-CG 4.49Å; Y208-R238 HydrophobicContact CE1-CB 4.36Å; Y208-R238 HydrophobicContact CE1-CG 4.33Å; Y208-R238 HydrophobicContact CE2-CB 3.87Å; Y208-R238 HydrophobicContact CE2-CG 4.43Å; Y208-R238 HydrophobicContact CG-CG 4.46Å; Y208-E239 WeakPolarHBondContact CE2-O 3.35Å; Y208-E239 PolarHBondContact OH-N 3.49Å; Y208-E239 PolarHBondContact OH-O 3.4Å; Y208-P311 HydrophobicContact CD2-CB 3.77Å; Y208-P311 HydrophobicContact CE2-CB 4.11Å; Y208-E315 VanDerWaalsContact CB-OE1 3.26Å; Y208-E315 WeakPolarHBondContact CB-OE1 3.39Å; Y208-E315 WeakPolarHBondContact CB-OE2 3.46Å; Y208-E315 PolarHBondContact N-OE1 3.11Å
209	S	98.1	Very high	95.7	Very high	66 Å²	66	48.8 Å²	48.8	46%	0.462	25%	0.245	S	C	.	.	H	α-helix	trans	-60.6	-51.9	173.5	24	0	0	0	0	112.4	S207 M211 V212 E213	S207-S209 PolarHBondContact O-N 2.86Å; S207-S209 PolarHBondContact OG-OG 3.19Å; S209-M211 PolarHBondContact O-N 3.27Å; S209-V212 PolarHBondContact O-N 3.14Å; S209-E213 WeakPolarHBondContact O-CG 3.39Å; S209-E213 PolarHBondContact O-N 2.95Å
210	E	98.3	Very high	96.6	Very high	58 Å²	58	47.9 Å²	47.9	27%	0.271	24%	0.235	S	C	.	.	H	α-helix	trans	-67.4	-36	-177.3	-68.3	166.8	105.8	0	0	112	K204 H206 S207 V212 E213 L214	K204-E210 WeakPolarHBondContact CE-OE1 3.47Å; K204-E210 IonicContact NZ-OE1 3.21Å; K204-E210 PolarHBondContact NZ-OE1 3.13Å; H206-E210 HydrophobicContact CB-CB 4.14Å; S207-E210 VanDerWaalsContact CB-OE2 3.29Å; S207-E210 WeakPolarHBondContact CB-OE2 3.46Å; S207-E210 PolarHBondContact N-OE2 3Å; S207-E210 PolarHBondContact O-N 3.46Å; S207-E210 VanDerWaalsContact OG-CG 3.31Å; S207-E210 WeakPolarHBondContact OG-CG 3.39Å; S207-E210 PolarHBondContact OG-N 2.87Å; S207-E210 PolarHBondContact OG-OE2 3.25Å; E210-V212 VanDerWaalsContact C-N 3.34Å; E210-V212 PolarHBondContact O-N 3.38Å; E210-E213 PolarHBondContact O-N 3.24Å; E210-L214 WeakPolarHBondContact O-CB 3.49Å; E210-L214 PolarHBondContact O-N 3.41Å
211	M	98.4	Very high	97.2	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-57.9	-47	172	176.9	-161.9	74.6	0	0	110.8	H206 S207 Y208 S209 E213 L214 M215 M241 R273 L277 P307	H206-M211 HydrophobicContact CB-CB 4.22Å; S207-M211 WeakPolarHBondContact O-CB 3.46Å; S207-M211 PolarHBondContact O-N 3.33Å; Y208-M211 HydrophobicContact CD2-CE 3.71Å; Y208-M211 HydrophobicContact CE2-CE 3.79Å; S209-M211 PolarHBondContact O-N 3.27Å; M211-E213 VanDerWaalsContact C-N 3.33Å; M211-E213 PolarHBondContact O-N 3.22Å; M211-L214 PolarHBondContact O-N 3.27Å; M211-M215 HydrophobicContact CG-SD 4.27Å; M211-M215 WeakPolarHBondContact O-CB 3.35Å; M211-M215 VanDerWaalsContact O-CG 3.24Å; M211-M215 WeakPolarHBondContact O-CG 3.46Å; M211-M215 PolarHBondContact O-N 2.85Å; M211-M241 HydrophobicContact CE-CB 4.22Å; M211-M241 HydrophobicContact CE-CG 4.33Å; M211-R273 PolarHBondContact SD-NH1 2.96Å; M211-L277 HydrophobicContact CB-CD1 4.35Å; M211-L277 HydrophobicContact CG-CD1 3.99Å; M211-L277 HydrophobicContact CG-CD2 3.93Å; M211-P307 HydrophobicContact CG-CG 4.2Å; M211-P307 HydrophobicContact SD-CB 4.21Å; M211-P307 HydrophobicContact SD-CG 3.74Å
212	V	98.6	Very high	97.5	Very high	20 Å²	20	48.1 Å²	48.1	12%	0.121	24%	0.239	C	C	.	.	H	α-helix	trans	-66	-36.5	178	169.7	0	0	0	0	111.7	Y208 S209 E210 K216 M241	Y208-V212 HydrophobicContact CE1-CG2 4.01Å; Y208-V212 HydrophobicContact CE2-CG2 4.33Å; Y208-V212 VanDerWaalsContact O-CG2 3.3Å; Y208-V212 WeakPolarHBondContact O-CG2 3.43Å; Y208-V212 PolarHBondContact O-N 2.89Å; Y208-V212 VanDerWaalsContact O-N 3.15Å; S209-V212 PolarHBondContact O-N 3.14Å; E210-V212 VanDerWaalsContact C-N 3.34Å; E210-V212 PolarHBondContact O-N 3.38Å; V212-K216 HydrophobicContact CG1-CD 4.25Å; V212-K216 WeakPolarHBondContact O-CD 3.23Å; V212-K216 VanDerWaalsContact O-CG 3.27Å; V212-K216 WeakPolarHBondContact O-CG 3.11Å; V212-K216 PolarHBondContact O-N 3.14Å; V212-K216 VanDerWaalsContact O-N 3.13Å; V212-M241 HydrophobicContact CG2-CG 4.03Å
213	E	98.4	Very high	97.7	Very high	126 Å²	126	47.5 Å²	47.5	59%	0.589	24%	0.242	S	C	*	.	H	α-helix	trans	-68.8	-44.1	176.1	-72.7	175.3	-178	0	0	112	S209 E210 M211 K216 S217	S209-E213 WeakPolarHBondContact O-CG 3.39Å; S209-E213 PolarHBondContact O-N 2.95Å; E210-E213 PolarHBondContact O-N 3.24Å; M211-E213 VanDerWaalsContact C-N 3.33Å; M211-E213 PolarHBondContact O-N 3.22Å; E213-K216 PolarHBondContact O-N 2.86Å; E213-S217 PolarHBondContact O-N 3.47Å
214	L	98.3	Very high	97.8	Very high	16 Å²	16	52.3 Å²	52.3	8%	0.084	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-45.1	175	179.8	63.7	0	0	0	111.8	E210 M211 K216 S217 V218 L277 Q281	E210-L214 WeakPolarHBondContact O-CB 3.49Å; E210-L214 PolarHBondContact O-N 3.41Å; M211-L214 PolarHBondContact O-N 3.27Å; L214-K216 VanDerWaalsContact C-N 3.3Å; L214-K216 PolarHBondContact O-N 3.24Å; L214-S217 WeakPolarHBondContact O-CB 3.46Å; L214-S217 PolarHBondContact O-N 3.35Å; L214-V218 PolarHBondContact O-N 3.17Å; L214-L277 HydrophobicContact CD2-CB 3.86Å; L214-L277 HydrophobicContact CD2-CD1 4.3Å; L214-L277 HydrophobicContact CD2-CD2 4.29Å; L214-L277 HydrophobicContact CD2-CG 4.37Å; L214-Q281 HydrophobicContact CD1-CG 4.11Å
215	M	98.6	Very high	97.9	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-58.3	-43.1	175.3	-72.8	177.4	75.1	0	0	111.4	M211 V218 H219 I228 M241 A242 M243 L277 M280 P307	M211-M215 HydrophobicContact CG-SD 4.27Å; M211-M215 WeakPolarHBondContact O-CB 3.35Å; M211-M215 VanDerWaalsContact O-CG 3.24Å; M211-M215 WeakPolarHBondContact O-CG 3.46Å; M211-M215 PolarHBondContact O-N 2.85Å; M215-V218 PolarHBondContact O-N 3.12Å; M215-H219 PolarHBondContact O-N 3.08Å; M215-H219 VanDerWaalsContact O-N 3.07Å; M215-I228 HydrophobicContact CB-CD1 4.2Å; M215-I228 HydrophobicContact CE-CG2 4.42Å; M215-I228 WeakPolarHBondContact O-CD1 3.37Å; M215-M241 HydrophobicContact CE-CB 4.04Å; M215-M241 HydrophobicContact SD-CB 3.96Å; M215-A242 VanDerWaalsContact CE-C 3.48Å; M215-M243 HydrophobicContact CB-CE 4Å; M215-M243 HydrophobicContact CE-CB 4.03Å; M215-M243 HydrophobicContact CG-CE 4.4Å; M215-M243 WeakPolarHBondContact O-CE 3.34Å; M215-L277 HydrophobicContact CG-CD2 4.04Å; M215-M280 HydrophobicContact CE-CE 4Å; M215-M280 HydrophobicContact CE-SD 4.46Å; M215-M280 HydrophobicContact CG-CE 4.39Å; M215-M280 HydrophobicContact CG-SD 3.85Å; M215-M280 HydrophobicContact SD-CE 4.49Å; M215-P307 HydrophobicContact SD-CG 4.03Å
216	K	98.4	Very high	98	Very high	105 Å²	105	49.8 Å²	49.8	46%	0.457	26%	0.259	S	S	.	.	H	α-helix	trans	-64	-43.4	175.1	-73.1	166.7	-176.2	169.5	0	112.1	V212 E213 L214 V218 H219 E220 I228	V212-K216 HydrophobicContact CG1-CD 4.25Å; V212-K216 WeakPolarHBondContact O-CD 3.23Å; V212-K216 VanDerWaalsContact O-CG 3.27Å; V212-K216 WeakPolarHBondContact O-CG 3.11Å; V212-K216 PolarHBondContact O-N 3.14Å; V212-K216 VanDerWaalsContact O-N 3.13Å; E213-K216 PolarHBondContact O-N 2.86Å; L214-K216 VanDerWaalsContact C-N 3.3Å; L214-K216 PolarHBondContact O-N 3.24Å; K216-V218 PolarHBondContact O-N 3.13Å; K216-H219 PolarHBondContact O-N 3.32Å; K216-H219 VanDerWaalsContact O-N 3.13Å; K216-E220 WeakPolarHBondContact O-CG 3.39Å; K216-E220 PolarHBondContact O-N 3.1Å; K216-I228 HydrophobicContact CG-CD1 4.19Å
217	S	98.2	Very high	98.1	Very high	65 Å²	65	52.2 Å²	52.2	46%	0.455	27%	0.272	S	S	.	.	H	α-helix	trans	-55.4	-49.2	175.7	177.5	0	0	0	0	111.8	E213 L214 H219 E220 E221	E213-S217 PolarHBondContact O-N 3.47Å; L214-S217 WeakPolarHBondContact O-CB 3.46Å; L214-S217 PolarHBondContact O-N 3.35Å; S217-H219 VanDerWaalsContact C-N 3.31Å; S217-H219 PolarHBondContact O-N 2.92Å; S217-E220 PolarHBondContact O-N 3.14Å; S217-E221 PolarHBondContact O-N 3.27Å
218	V	98.3	Very high	98.1	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.024	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-37.9	176.4	173.5	0	0	0	0	111.8	L214 M215 K216 E221 C222 M243 M280 Q281 C284	L214-V218 PolarHBondContact O-N 3.17Å; M215-V218 PolarHBondContact O-N 3.12Å; K216-V218 PolarHBondContact O-N 3.13Å; V218-E221 PolarHBondContact O-N 3.33Å; V218-C222 PolarHBondContact O-N 2.96Å; V218-M243 HydrophobicContact CB-CE 4.12Å; V218-M243 HydrophobicContact CG1-CE 4.13Å; V218-M243 HydrophobicContact CG1-SD 4.03Å; V218-M280 HydrophobicContact CG1-CB 4.29Å; V218-Q281 HydrophobicContact CG2-CG 3.78Å; V218-C284 HydrophobicContact CG1-CB 3.85Å
219	H	98.3	Very high	98.1	Very high	61 Å²	61	53.5 Å²	53.5	28%	0.282	28%	0.278	S	S	.	.	H	α-helix	trans	-68.4	-39.4	175.6	178.5	62	0	0	0	113	M215 K216 S217 E221 C222 P223 T226 I228	M215-H219 PolarHBondContact O-N 3.08Å; M215-H219 VanDerWaalsContact O-N 3.07Å; K216-H219 PolarHBondContact O-N 3.32Å; K216-H219 VanDerWaalsContact O-N 3.13Å; S217-H219 VanDerWaalsContact C-N 3.31Å; S217-H219 PolarHBondContact O-N 2.92Å; H219-E221 VanDerWaalsContact C-N 3.29Å; H219-E221 PolarHBondContact O-N 3.27Å; H219-C222 CarbonylContact O-C 3.51Å; H219-C222 PolarHBondContact O-N 2.97Å; H219-P223 WeakPolarHBondContact O-CA 3.32Å; H219-P223 WeakPolarHBondContact O-CB 3.35Å; H219-P223 VanDerWaalsContact O-CD 3.27Å; H219-P223 WeakPolarHBondContact O-CD 3.38Å; H219-T226 WeakPolarHBondContact CA-OG1 3.46Å; H219-T226 PolarHBondContact CE1-O 2.68Å; H219-T226 VanDerWaalsContact CE1-O 3.27Å; H219-T226 PolarHBondContact ND1-O 3.15Å; H219-T226 PolarHBondContact ND1-OG1 3.32Å; H219-I228 HydrophobicContact CB-CD1 3.66Å; H219-I228 HydrophobicContact CB-CG1 4.04Å
220	E	98.1	Very high	98.1	Very high	154 Å²	154	52.6 Å²	52.6	72%	0.72	27%	0.271	S	S	*	.	H	α-helix	trans	-65.8	-32.2	174.2	-72.4	177	-169.8	0	0	111.9	K216 S217	K216-E220 WeakPolarHBondContact O-CG 3.39Å; K216-E220 PolarHBondContact O-N 3.1Å; S217-E220 PolarHBondContact O-N 3.14Å
221	E	97.3	Very high	98.1	Very high	88 Å²	88	50.8 Å²	50.8	41%	0.411	26%	0.263	S	S	.	.	H	α-helix	trans	-75.3	-36.6	174.7	-172.7	172.1	178.7	0	0	113.4	S217 V218 H219 P223 K288	S217-E221 PolarHBondContact O-N 3.27Å; V218-E221 PolarHBondContact O-N 3.33Å; H219-E221 VanDerWaalsContact C-N 3.29Å; H219-E221 PolarHBondContact O-N 3.27Å; E221-P223 VanDerWaalsContact C-CD 3.46Å; E221-K288 VanDerWaalsContact CD-NZ 3.32Å; E221-K288 HydrophobicContact CG-CD 4.02Å; E221-K288 IonicContact OE1-NZ 2.61Å; E221-K288 PolarHBondContact OE1-NZ 2.81Å
222	C	97.6	Very high	98	Very high	7 Å²	7	51.8 Å²	51.8	5%	0.047	27%	0.274	C	S	.	.	S	Bend	trans	-127.8	52	-174.2	-76.1	0	0	0	0	114.3	V218 H219 N224 I225 T226 C284 K288	V218-C222 PolarHBondContact O-N 2.96Å; H219-C222 CarbonylContact O-C 3.51Å; H219-C222 PolarHBondContact O-N 2.97Å; C222-N224 VanDerWaalsContact C-N 3.26Å; C222-N224 PolarHBondContact O-N 2.76Å; C222-N224 VanDerWaalsContact O-N 3.16Å; C222-I225 HydrophobicContact CB-CD1 4.16Å; C222-I225 HydrophobicContact CB-CG1 3.82Å; C222-I225 PolarHBondContact O-N 3.46Å; C222-T226 HydrophobicContact CB-CG2 4.01Å; C222-T226 WeakPolarHBondContact O-CG2 3.21Å; C222-T226 PolarHBondContact O-N 3.34Å; C222-T226 PolarHBondContact O-OG1 2.88Å; C222-C284 HydrophobicContact CB-CB 3.83Å; C222-C284 WeakPolarHBondContact CB-SG 3.36Å; C222-C284 WeakPolarHBondContact SG-CA 3.39Å; C222-C284 WeakPolarHBondContact SG-CB 3.44Å; C222-C284 PolarHBondContact SG-O 3.3Å; C222-C284 VanDerWaalsContact SG-O 3.4Å; C222-C284 CovalentContact SG-SG 2.03Å; C222-C284 PolarHBondContact SG-SG 2.96Å; C222-K288 WeakPolarHBondContact SG-CD 3.38Å
223	P	97.3	Very high	97.9	Very high	70 Å²	70	56.7 Å²	56.7	46%	0.455	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.6	-169	26.9	-36.1	0	0	0	114	H219 E221 I225	H219-P223 WeakPolarHBondContact O-CA 3.32Å; H219-P223 WeakPolarHBondContact O-CB 3.35Å; H219-P223 VanDerWaalsContact O-CD 3.27Å; H219-P223 WeakPolarHBondContact O-CD 3.38Å; E221-P223 VanDerWaalsContact C-CD 3.46Å; P223-I225 VanDerWaalsContact C-N 3.34Å
224	N	96.6	Very high	97.9	Very high	141 Å²	141	50.7 Å²	50.7	75%	0.754	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-21.2	-179.7	-64.7	-23.8	0	0	0	113.5	C222	C222-N224 VanDerWaalsContact C-N 3.26Å; C222-N224 PolarHBondContact O-N 2.76Å; C222-N224 VanDerWaalsContact O-N 3.16Å
225	I	97.8	Very high	97.7	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.041	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	1.9	-176.4	60.7	157.5	0	0	0	113.4	C222 P223 I245 S246 Y287 V298	C222-I225 HydrophobicContact CB-CD1 4.16Å; C222-I225 HydrophobicContact CB-CG1 3.82Å; C222-I225 PolarHBondContact O-N 3.46Å; P223-I225 VanDerWaalsContact C-N 3.34Å; I225-I245 HydrophobicContact CD1-CG2 4.27Å; I225-I245 VanDerWaalsContact O-CA 3.27Å; I225-I245 WeakPolarHBondContact O-CA 3.47Å; I225-S246 CarbonylContact C-O 3.48Å; I225-S246 WeakPolarHBondContact CA-O 3.27Å; I225-S246 VanDerWaalsContact CB-O 3.31Å; I225-S246 WeakPolarHBondContact CB-O 3.46Å; I225-S246 PolarHBondContact O-N 3.4Å; I225-S246 VanDerWaalsContact O-O 3.11Å; I225-Y287 HydrophobicContact CD1-CD1 3.62Å; I225-Y287 HydrophobicContact CD1-CD2 4.43Å; I225-Y287 HydrophobicContact CD1-CE1 4.16Å; I225-Y287 HydrophobicContact CD1-CG 3.77Å; I225-Y287 HydrophobicContact CG1-CD1 4.46Å; I225-Y287 HydrophobicContact CG2-CD1 4.27Å; I225-Y287 HydrophobicContact CG2-CE1 3.64Å; I225-V298 HydrophobicContact CB-CG1 4.04Å; I225-V298 HydrophobicContact CD1-CG1 4.07Å; I225-V298 HydrophobicContact CG2-CG1 4.1Å
226	T	98.6	Very high	97.6	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.3	-177.5	60.3	0	0	0	0	112.2	H219 C222 M243 I244 I245	H219-T226 WeakPolarHBondContact CA-OG1 3.46Å; H219-T226 PolarHBondContact CE1-O 2.68Å; H219-T226 VanDerWaalsContact CE1-O 3.27Å; H219-T226 PolarHBondContact ND1-O 3.15Å; H219-T226 PolarHBondContact ND1-OG1 3.32Å; C222-T226 HydrophobicContact CB-CG2 4.01Å; C222-T226 WeakPolarHBondContact O-CG2 3.21Å; C222-T226 PolarHBondContact O-N 3.34Å; C222-T226 PolarHBondContact O-OG1 2.88Å; T226-M243 HydrophobicContact CG2-SD 3.91Å; T226-I244 CarbonylContact C-O 3.58Å; T226-I244 VanDerWaalsContact CA-O 3.22Å; T226-I244 WeakPolarHBondContact CA-O 3.36Å; T226-I245 HydrophobicContact CG2-CG1 4.2Å
227	N	98.3	Very high	97.5	Very high	52 Å²	52	53.2 Å²	53.2	28%	0.278	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	126.3	171.5	177.8	32.1	0	0	0	110.2	M243 I244 P249	N227-M243 CarbonylContact O-C 3.33Å; N227-M243 WeakPolarHBondContact O-CA 3.35Å; N227-I244 HydrophobicContact CB-CB 4.38Å; N227-I244 PolarHBondContact N-O 3.09Å; N227-I244 PolarHBondContact O-N 3.14Å; N227-P249 HydrophobicContact CB-CB 3.8Å; N227-P249 HydrophobicContact CB-CG 4.46Å
228	I	98.3	Very high	97.5	Very high	39 Å²	39	52.8 Å²	52.8	20%	0.2	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	133.3	179.1	-58.2	174.5	0	0	0	109.4	M215 K216 H219 M241 A242 M243	M215-I228 HydrophobicContact CB-CD1 4.2Å; M215-I228 HydrophobicContact CE-CG2 4.42Å; M215-I228 WeakPolarHBondContact O-CD1 3.37Å; K216-I228 HydrophobicContact CG-CD1 4.19Å; H219-I228 HydrophobicContact CB-CD1 3.66Å; H219-I228 HydrophobicContact CB-CG1 4.04Å; I228-M241 HydrophobicContact CG2-CE 3.31Å; I228-A242 WeakPolarHBondContact CA-O 3.5Å; I228-M243 HydrophobicContact CD1-CE 4.29Å; I228-M243 HydrophobicContact CG1-CE 4.01Å
229	Y	98.1	Very high	97.5	Very high	39 Å²	39	55.7 Å²	55.7	15%	0.153	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	174.6	176	71.2	-72.2	0	0	0	110.9	L231 A242 I244 H304 W390	Y229-L231 HydrophobicContact CD2-CD1 4.34Å; Y229-L231 HydrophobicContact CE2-CD1 3.63Å; Y229-L231 HydrophobicContact CE2-CG 4.43Å; Y229-A242 HydrophobicContact CD1-CB 4.12Å; Y229-A242 HydrophobicContact CE1-CB 3.47Å; Y229-A242 VanDerWaalsContact CE1-CB 3.47Å; Y229-A242 HydrophobicContact CE2-CB 4.1Å; Y229-A242 VanDerWaalsContact CZ-CB 3.44Å; Y229-A242 PolarHBondContact N-O 3.15Å; Y229-A242 PolarHBondContact O-N 3.05Å; Y229-A242 VanDerWaalsContact O-O 3.13Å; Y229-A242 WeakPolarHBondContact OH-CB 3.36Å; Y229-I244 HydrophobicContact CD1-CD1 4.25Å; Y229-I244 HydrophobicContact CD1-CG1 3.88Å; Y229-I244 HydrophobicContact CE1-CD1 4.08Å; Y229-I244 HydrophobicContact CE1-CG1 3.5Å; Y229-I244 VanDerWaalsContact CE1-CG1 3.5Å; Y229-H304 AromaticContact CE1-ND1 3.95Å; Y229-H304 AromaticContact CZ-ND1 3.6Å; Y229-H304 PolarHBondContact OH-ND1 2.75Å; Y229-W390 AromaticContact CE2-NE1 3.89Å; Y229-W390 AromaticContact CZ-NE1 3.82Å; Y229-W390 PolarHBondContact OH-NE1 3.19Å
230	S	98.1	Very high	97.5	Very high	46 Å²	46	52.8 Å²	52.8	32%	0.322	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.9	176.9	172.1	0	0	0	0	110.1	G232 I240	S230-G232 VanDerWaalsContact C-N 3.33Å; S230-G232 PolarHBondContact OG-N 3.36Å; S230-G232 PolarHBondContact OG-O 2.7Å; S230-I240 WeakPolarHBondContact CA-O 3.46Å
231	L	97.9	Very high	97.5	Very high	20 Å²	20	46.4 Å²	46.4	11%	0.105	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-23.5	173.6	-77.8	64.6	0	0	0	111.6	Y229 I240 A242 V306 L309 W390	Y229-L231 HydrophobicContact CD2-CD1 4.34Å; Y229-L231 HydrophobicContact CE2-CD1 3.63Å; Y229-L231 HydrophobicContact CE2-CG 4.43Å; L231-I240 HydrophobicContact CB-CB 4.13Å; L231-I240 HydrophobicContact CB-CG2 4.03Å; L231-I240 HydrophobicContact CD2-CG2 4.14Å; L231-I240 PolarHBondContact N-O 2.8Å; L231-A242 HydrophobicContact CD1-CB 3.4Å; L231-V306 HydrophobicContact CD1-CG1 4.47Å; L231-V306 HydrophobicContact CD1-CG2 4.42Å; L231-V306 HydrophobicContact CD2-CG1 4.3Å; L231-V306 HydrophobicContact CD2-CG2 4.46Å; L231-L309 HydrophobicContact CD2-CD2 4.28Å; L231-W390 HydrophobicContact CB-CB 4.43Å; L231-W390 HydrophobicContact CD1-CG 4.46Å; L231-W390 HydrophobicContact CD2-CB 3.97Å; L231-W390 HydrophobicContact CD2-CD2 3.48Å; L231-W390 VanDerWaalsContact CD2-CD2 3.48Å; L231-W390 HydrophobicContact CD2-CE3 3.56Å; L231-W390 HydrophobicContact CD2-CG 3.69Å; L231-W390 HydrophobicContact CD2-CZ3 4.12Å; L231-W390 HydrophobicContact CG-CB 3.85Å; L231-W390 HydrophobicContact CG-CD2 3.91Å; L231-W390 HydrophobicContact CG-CE3 4.48Å; L231-W390 HydrophobicContact CG-CG 3.62Å
232	G	97.3	Very high	97.6	Very high	23 Å²	23	42.2 Å²	42.2	24%	0.237	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.6	-158.3	-170.8	0	0	0	0	0	111.7	S230 E239 I240	S230-G232 VanDerWaalsContact C-N 3.33Å; S230-G232 PolarHBondContact OG-N 3.36Å; S230-G232 PolarHBondContact OG-O 2.7Å; G232-E239 WeakPolarHBondContact O-CA 2.96Å; G232-I240 PolarHBondContact O-N 3.31Å
233	R	97	Very high	97.6	Very high	123 Å²	123	41.9 Å²	41.9	46%	0.464	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153.1	175.2	-66.2	-176.2	-173.4	-73.9	-15.4	111.1	G237 R238 E239 M382	R233-G237 PolarHBondContact NH1-O 3.27Å; R233-R238 CarbonylContact C-O 3.58Å; R233-R238 WeakPolarHBondContact CA-O 3.43Å; R233-E239 HydrophobicContact CG-CG 4.39Å; R233-E239 IonicContact CZ-OE1 3.77Å; R233-E239 VanDerWaalsContact CZ-OE1 3.24Å; R233-E239 VanDerWaalsContact NH1-CG 3.26Å; R233-E239 IonicContact NH1-OE1 3.93Å; R233-E239 PolarHBondContact NH1-OE1 3.32Å; R233-E239 VanDerWaalsContact NH1-OE1 3.13Å; R233-E239 IonicContact NH2-OE1 3.34Å; R233-E239 PolarHBondContact NH2-OE1 3.21Å; R233-M382 HydrophobicContact CB-CE 3.95Å; R233-M382 WeakPolarHBondContact O-CE 3.22Å
234	S	97	Very high	97.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	20%	0.201	C	C	.	.			trans	-82	172.9	165.6	70.2	0	0	0	0	111.9	K236 G237 R238 D312 M382 E383	S234-K236 VanDerWaalsContact C-N 3.35Å; S234-K236 PolarHBondContact O-N 3.3Å; S234-G237 WeakPolarHBondContact O-CA 3.28Å; S234-G237 PolarHBondContact O-N 3.37Å; S234-R238 PolarHBondContact N-O 3.43Å; S234-R238 PolarHBondContact OG-N 2.97Å; S234-R238 PolarHBondContact OG-O 3.41Å; S234-D312 WeakPolarHBondContact CB-OD2 3.28Å; S234-D312 PolarHBondContact OG-OD1 3.1Å; S234-D312 PolarHBondContact OG-OD2 3.31Å; S234-M382 WeakPolarHBondContact O-CE 3.31Å; S234-E383 WeakPolarHBondContact CA-OE1 3.46Å; S234-E383 VanDerWaalsContact CB-OE1 3.25Å; S234-E383 WeakPolarHBondContact CB-OE1 3.26Å
235	S	94.7	Very high	97.8	Very high	38 Å²	38	31.9 Å²	31.9	27%	0.266	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-31.9	-179.4	-66	0	0	0	0	115	G237 D312 D335 M382 E383	S235-G237 VanDerWaalsContact C-N 3.27Å; S235-G237 PolarHBondContact O-N 2.94Å; S235-D312 PolarHBondContact N-OD2 3.23Å; S235-D335 WeakPolarHBondContact CB-OD2 3.04Å; S235-D335 PolarHBondContact OG-OD2 2.74Å; S235-M382 VanDerWaalsContact CA-SD 3.58Å; S235-E383 PolarHBondContact N-OE1 3.41Å
236	K	96.2	Very high	97.8	Very high	106 Å²	106	31.5 Å²	31.5	46%	0.461	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	4	169	-64.1	174.1	156.5	137.4	0	113.7	S234 D312 E334	S234-K236 VanDerWaalsContact C-N 3.35Å; S234-K236 PolarHBondContact O-N 3.3Å; K236-D312 WeakPolarHBondContact CB-OD2 3.35Å; K236-D312 HydrophobicContact CD-CB 4.19Å; K236-D312 PolarHBondContact N-OD2 3.35Å; K236-E334 WeakPolarHBondContact CE-OE1 3.48Å; K236-E334 VanDerWaalsContact CE-OE2 3.27Å; K236-E334 WeakPolarHBondContact CE-OE2 3.36Å; K236-E334 HydrophobicContact CG-CG 4.22Å; K236-E334 IonicContact NZ-OE1 3.24Å; K236-E334 PolarHBondContact NZ-OE1 2.71Å; K236-E334 IonicContact NZ-OE2 3.13Å; K236-E334 PolarHBondContact NZ-OE2 3.37Å
237	G	96.7	Very high	97.7	Very high	30 Å²	30	33 Å²	33	31%	0.309	18%	0.18	S	C	.	.			trans	86.9	4.1	173	0	0	0	0	0	116	R233 S234 S235	R233-G237 PolarHBondContact NH1-O 3.27Å; S234-G237 WeakPolarHBondContact O-CA 3.28Å; S234-G237 PolarHBondContact O-N 3.37Å; S235-G237 VanDerWaalsContact C-N 3.27Å; S235-G237 PolarHBondContact O-N 2.94Å
238	R	97.8	Very high	97.5	Very high	56 Å²	56	32 Å²	32	21%	0.211	17%	0.174	C	C	.	.			trans	-61.9	149.3	170.9	-65.3	-174.3	174.6	85.1	-7.1	109.4	Y208 R233 S234 P311 D312 E315	Y208-R238 HydrophobicContact CD1-CG 4.37Å; Y208-R238 HydrophobicContact CD2-CB 4.32Å; Y208-R238 HydrophobicContact CD2-CG 4.49Å; Y208-R238 HydrophobicContact CE1-CB 4.36Å; Y208-R238 HydrophobicContact CE1-CG 4.33Å; Y208-R238 HydrophobicContact CE2-CB 3.87Å; Y208-R238 HydrophobicContact CE2-CG 4.43Å; Y208-R238 HydrophobicContact CG-CG 4.46Å; R233-R238 CarbonylContact C-O 3.58Å; R233-R238 WeakPolarHBondContact CA-O 3.43Å; S234-R238 PolarHBondContact N-O 3.43Å; S234-R238 PolarHBondContact OG-N 2.97Å; S234-R238 PolarHBondContact OG-O 3.41Å; R238-P311 HydrophobicContact CB-CB 4.29Å; R238-P311 HydrophobicContact CB-CG 4.02Å; R238-D312 VanDerWaalsContact CD-OD1 3.28Å; R238-D312 WeakPolarHBondContact CD-OD1 3.42Å; R238-D312 IonicContact CZ-OD1 3.06Å; R238-D312 IonicContact NE-OD1 3.38Å; R238-D312 IonicContact NH1-OD1 2.94Å; R238-D312 PolarHBondContact NH1-OD1 2.93Å; R238-E315 IonicContact CZ-OE2 2.71Å; R238-E315 IonicContact NE-OE2 2.68Å; R238-E315 PolarHBondContact NE-OE2 2.95Å; R238-E315 IonicContact NH2-OE2 3.69Å; R238-E315 PolarHBondContact NH2-OE2 3.33Å
239	E	98.3	Very high	97.4	Very high	66 Å²	66	30.6 Å²	30.6	31%	0.308	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	136.2	-179.6	-66.8	-176.6	180	0	0	110	Y208 G232 R233 M241	Y208-E239 WeakPolarHBondContact CE2-O 3.35Å; Y208-E239 PolarHBondContact OH-N 3.49Å; Y208-E239 PolarHBondContact OH-O 3.4Å; G232-E239 WeakPolarHBondContact O-CA 2.96Å; R233-E239 HydrophobicContact CG-CG 4.39Å; R233-E239 IonicContact CZ-OE1 3.77Å; R233-E239 VanDerWaalsContact CZ-OE1 3.24Å; R233-E239 VanDerWaalsContact NH1-CG 3.26Å; R233-E239 IonicContact NH1-OE1 3.93Å; R233-E239 PolarHBondContact NH1-OE1 3.32Å; R233-E239 VanDerWaalsContact NH1-OE1 3.13Å; R233-E239 IonicContact NH2-OE1 3.34Å; R233-E239 PolarHBondContact NH2-OE1 3.21Å; E239-M241 VanDerWaalsContact C-N 3.29Å; E239-M241 HydrophobicContact CB-CG 4.23Å; E239-M241 HydrophobicContact CB-SD 3.59Å; E239-M241 VanDerWaalsContact CB-SD 3.59Å; E239-M241 PolarHBondContact O-N 2.88Å
240	I	98.6	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	86.3	175.2	-58	172.7	0	0	0	106.8	S230 L231 G232 V306 L309 E383 A386	S230-I240 WeakPolarHBondContact CA-O 3.46Å; L231-I240 HydrophobicContact CB-CB 4.13Å; L231-I240 HydrophobicContact CB-CG2 4.03Å; L231-I240 HydrophobicContact CD2-CG2 4.14Å; L231-I240 PolarHBondContact N-O 2.8Å; G232-I240 PolarHBondContact O-N 3.31Å; I240-V306 HydrophobicContact CG2-CG1 4.27Å; I240-L309 HydrophobicContact CG2-CD2 3.93Å; I240-E383 HydrophobicContact CD1-CB 4.07Å; I240-E383 HydrophobicContact CD1-CG 4.08Å; I240-A386 HydrophobicContact CD1-CB 4.02Å
241	M	98.4	Very high	96.8	Very high	19 Å²	19	37.6 Å²	37.6	9%	0.094	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	141.9	-170.4	-63.7	-59.1	-65.2	0	0	112.4	M211 V212 M215 I228 E239	M211-M241 HydrophobicContact CE-CB 4.22Å; M211-M241 HydrophobicContact CE-CG 4.33Å; V212-M241 HydrophobicContact CG2-CG 4.03Å; M215-M241 HydrophobicContact CE-CB 4.04Å; M215-M241 HydrophobicContact SD-CB 3.96Å; I228-M241 HydrophobicContact CG2-CE 3.31Å; E239-M241 VanDerWaalsContact C-N 3.29Å; E239-M241 HydrophobicContact CB-CG 4.23Å; E239-M241 HydrophobicContact CB-SD 3.59Å; E239-M241 VanDerWaalsContact CB-SD 3.59Å; E239-M241 PolarHBondContact O-N 2.88Å
242	A	98.6	Very high	96.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	156.2	174.8	0	0	0	0	0	111.8	M215 I228 Y229 L231 L305 V306	M215-A242 VanDerWaalsContact CE-C 3.48Å; I228-A242 WeakPolarHBondContact CA-O 3.5Å; Y229-A242 HydrophobicContact CD1-CB 4.12Å; Y229-A242 HydrophobicContact CE1-CB 3.47Å; Y229-A242 VanDerWaalsContact CE1-CB 3.47Å; Y229-A242 HydrophobicContact CE2-CB 4.1Å; Y229-A242 VanDerWaalsContact CZ-CB 3.44Å; Y229-A242 PolarHBondContact N-O 3.15Å; Y229-A242 PolarHBondContact O-N 3.05Å; Y229-A242 VanDerWaalsContact O-O 3.13Å; Y229-A242 WeakPolarHBondContact OH-CB 3.36Å; L231-A242 HydrophobicContact CD1-CB 3.4Å; A242-L305 VanDerWaalsContact CA-O 3.29Å; A242-L305 WeakPolarHBondContact CA-O 3.43Å; A242-V306 HydrophobicContact CB-CB 4.45Å; A242-V306 HydrophobicContact CB-CG1 4.38Å; A242-V306 HydrophobicContact CB-CG2 3.84Å
243	M	98.7	Very high	96.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.1	172.8	-171.8	179.7	-68.9	0	0	109.8	M215 V218 T226 N227 I228 I245 M280 L305	M215-M243 HydrophobicContact CB-CE 4Å; M215-M243 HydrophobicContact CE-CB 4.03Å; M215-M243 HydrophobicContact CG-CE 4.4Å; M215-M243 WeakPolarHBondContact O-CE 3.34Å; V218-M243 HydrophobicContact CB-CE 4.12Å; V218-M243 HydrophobicContact CG1-CE 4.13Å; V218-M243 HydrophobicContact CG1-SD 4.03Å; T226-M243 HydrophobicContact CG2-SD 3.91Å; N227-M243 CarbonylContact O-C 3.33Å; N227-M243 WeakPolarHBondContact O-CA 3.35Å; I228-M243 HydrophobicContact CD1-CE 4.29Å; I228-M243 HydrophobicContact CG1-CE 4.01Å; M243-I245 HydrophobicContact CG-CG1 4.15Å; M243-I245 HydrophobicContact SD-CD1 4.13Å; M243-I245 HydrophobicContact SD-CG1 4.08Å; M243-M280 HydrophobicContact CB-CE 3.83Å; M243-M280 HydrophobicContact CB-SD 4.13Å; M243-M280 HydrophobicContact CE-SD 3.91Å; M243-M280 HydrophobicContact SD-CB 4.36Å; M243-M280 HydrophobicContact SD-CG 4.06Å; M243-M280 HydrophobicContact SD-SD 4.03Å; M243-L305 PolarHBondContact N-O 2.87Å; M243-L305 PolarHBondContact O-N 2.76Å
244	I	98.8	Very high	96.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	135.2	163.4	-52.4	-176.3	0	0	0	107.4	T226 N227 Y229 P249 R302 I303 H304	T226-I244 CarbonylContact C-O 3.58Å; T226-I244 VanDerWaalsContact CA-O 3.22Å; T226-I244 WeakPolarHBondContact CA-O 3.36Å; N227-I244 HydrophobicContact CB-CB 4.38Å; N227-I244 PolarHBondContact N-O 3.09Å; N227-I244 PolarHBondContact O-N 3.14Å; Y229-I244 HydrophobicContact CD1-CD1 4.25Å; Y229-I244 HydrophobicContact CD1-CG1 3.88Å; Y229-I244 HydrophobicContact CE1-CD1 4.08Å; Y229-I244 HydrophobicContact CE1-CG1 3.5Å; Y229-I244 VanDerWaalsContact CE1-CG1 3.5Å; I244-P249 HydrophobicContact CB-CB 4.49Å; I244-P249 WeakPolarHBondContact CD1-O 3.27Å; I244-P249 HydrophobicContact CG2-CB 4.26Å; I244-R302 HydrophobicContact CG2-CG 3.95Å; I244-I303 CarbonylContact C-O 2.97Å; I244-I303 VanDerWaalsContact CA-O 3.31Å; I244-I303 WeakPolarHBondContact CA-O 3.39Å; I244-H304 VanDerWaalsContact CD1-CE1 3.48Å; I244-H304 WeakPolarHBondContact CD1-CE1 3.42Å
245	I	98.6	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.1	166.1	-49.3	-171.4	0	0	0	108.3	I225 T226 M243 M280 L283 V298 I303 L305	I225-I245 HydrophobicContact CD1-CG2 4.27Å; I225-I245 VanDerWaalsContact O-CA 3.27Å; I225-I245 WeakPolarHBondContact O-CA 3.47Å; T226-I245 HydrophobicContact CG2-CG1 4.2Å; M243-I245 HydrophobicContact CG-CG1 4.15Å; M243-I245 HydrophobicContact SD-CD1 4.13Å; M243-I245 HydrophobicContact SD-CG1 4.08Å; I245-M280 HydrophobicContact CD1-CG 4.42Å; I245-L283 HydrophobicContact CD1-CB 4.16Å; I245-L283 HydrophobicContact CD1-CD1 4.16Å; I245-V298 HydrophobicContact CG2-CG1 4.2Å; I245-V298 HydrophobicContact CG2-CG2 3.88Å; I245-I303 HydrophobicContact CB-CB 4.46Å; I245-I303 PolarHBondContact N-O 2.89Å; I245-I303 WeakPolarHBondContact O-CB 3.18Å; I245-I303 PolarHBondContact O-N 3.47Å; I245-L305 HydrophobicContact CD1-CD1 3.83Å; I245-L305 HydrophobicContact CG1-CD1 4.34Å
246	S	98.1	Very high	95.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-163.8	161.6	-176.6	166.7	0	0	0	0	110.4	I225 N248 E256 V298	I225-S246 CarbonylContact C-O 3.48Å; I225-S246 WeakPolarHBondContact CA-O 3.27Å; I225-S246 VanDerWaalsContact CB-O 3.31Å; I225-S246 WeakPolarHBondContact CB-O 3.46Å; I225-S246 PolarHBondContact O-N 3.4Å; I225-S246 VanDerWaalsContact O-O 3.11Å; S246-N248 PolarHBondContact O-N 3.04Å; S246-N248 PolarHBondContact OG-N 3.46Å; S246-N248 PolarHBondContact OG-O 3.13Å; S246-E256 PolarHBondContact OG-OE1 2.86Å; S246-V298 CarbonylContact C-O 3.52Å; S246-V298 VanDerWaalsContact CA-O 3.31Å; S246-V298 WeakPolarHBondContact CA-O 3.4Å
247	G	95.9	Very high	95.7	Very high	35 Å²	35	35.7 Å²	35.7	36%	0.361	20%	0.198	S	C	.	.	S	Bend	trans	-59.2	-27.3	165.8	0	0	0	0	0	113.6	V298	G247-V298 PolarHBondContact N-O 3.19Å
248	N	95.4	Very high	95.8	Very high	30 Å²	30	34.3 Å²	34.3	16%	0.16	18%	0.183	C	C	.	.	S	Bend	trans	-132.2	84.5	171.1	-173.8	-8.3	0	0	0	110.4	S246 T250 E251 E253	S246-N248 PolarHBondContact O-N 3.04Å; S246-N248 PolarHBondContact OG-N 3.46Å; S246-N248 PolarHBondContact OG-O 3.13Å; N248-T250 PolarHBondContact O-N 3.08Å; N248-T250 VanDerWaalsContact O-N 3.15Å; N248-T250 PolarHBondContact OD1-OG1 3.43Å; N248-E251 WeakPolarHBondContact ND2-CG 3.35Å; N248-E251 PolarHBondContact ND2-OE1 3.09Å; N248-E251 VanDerWaalsContact O-O 3.1Å; N248-E253 HydrophobicContact CB-CG 3.92Å; N248-E253 WeakPolarHBondContact CB-OE2 3.26Å
249	P	95.4	Very high	95.8	Very high	10 Å²	10	31.6 Å²	31.6	7%	0.065	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.3	-172.1	31.6	-38	0	0	0	113.4	N227 I244 R302	N227-P249 HydrophobicContact CB-CB 3.8Å; N227-P249 HydrophobicContact CB-CG 4.46Å; I244-P249 HydrophobicContact CB-CB 4.49Å; I244-P249 WeakPolarHBondContact CD1-O 3.27Å; I244-P249 HydrophobicContact CG2-CB 4.26Å; P249-R302 PolarHBondContact O-NH2 3.21Å
250	T	92.8	Very high	95.8	Very high	105 Å²	105	28.5 Å²	28.5	64%	0.644	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-34.3	-174.5	42.6	0	0	0	0	115	N248	N248-T250 PolarHBondContact O-N 3.08Å; N248-T250 VanDerWaalsContact O-N 3.15Å; N248-T250 PolarHBondContact OD1-OG1 3.43Å
251	E	90.9	Very high	95.8	Very high	126 Å²	126	28.5 Å²	28.5	59%	0.589	16%	0.158	S	C	*	.	S	Bend	trans	-140.8	162.9	-175	62.7	-177.4	176.8	0	0	111.6	N248 R302	N248-E251 WeakPolarHBondContact ND2-CG 3.35Å; N248-E251 PolarHBondContact ND2-OE1 3.09Å; N248-E251 VanDerWaalsContact O-O 3.1Å; E251-R302 PolarHBondContact O-NE 2.89Å
252	H	92.2	Very high	95.8	Very high	41 Å²	41	27.6 Å²	27.6	19%	0.19	15%	0.154	C	C	.	.			trans	-83.4	124.5	-179.1	173.2	77.8	0	0	0	110.9	E256 E258 D657 W659	H252-E256 PolarHBondContact CE1-O 2.92Å; H252-E256 VanDerWaalsContact CE1-O 3.22Å; H252-E258 IonicContact CE1-OE1 3.66Å; H252-E258 IonicContact CG-OE1 3.66Å; H252-E258 IonicContact ND1-OE1 2.66Å; H252-E258 PolarHBondContact ND1-OE1 3.3Å; H252-D657 IonicContact NE2-OD1 2.79Å; H252-D657 IonicContact NE2-OD2 2.67Å; H252-D657 PolarHBondContact NE2-OD2 2.87Å; H252-W659 AromaticContact CE1-CH2 3.63Å; H252-W659 AromaticContact NE2-CH2 3.75Å
253	E	93.3	Very high	95.8	Very high	90 Å²	90	27.6 Å²	27.6	42%	0.421	15%	0.154	S	C	.	.			trans	-92.2	138.6	178.4	-60.3	-156.7	84.7	0	0	113	N248 G255 E256	N248-E253 HydrophobicContact CB-CG 3.92Å; N248-E253 WeakPolarHBondContact CB-OE2 3.26Å; E253-G255 PolarHBondContact O-N 2.97Å; E253-E256 HydrophobicContact CB-CB 4.02Å; E253-E256 WeakPolarHBondContact O-CB 3.42Å; E253-E256 PolarHBondContact O-N 3.24Å
254	I	91.3	Very high	95.7	Very high	112 Å²	112	27.7 Å²	27.7	57%	0.574	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	114	-175.2	-51.6	-172.6	0	0	0	110.9	I627 T655 D657	I254-I627 HydrophobicContact CG2-CD1 3.64Å; I254-I627 HydrophobicContact CG2-CG1 4.34Å; I254-T655 HydrophobicContact CG1-CG2 4.33Å; I254-T655 WeakPolarHBondContact CG1-OG1 3.21Å; I254-D657 WeakPolarHBondContact CA-OD2 3.44Å; I254-D657 HydrophobicContact CG2-CB 4.25Å
255	G	88	Confident	95.6	Very high	16 Å²	16	27.7 Å²	27.7	17%	0.165	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	-1.5	-179.3	0	0	0	0	0	115.5	E253 R625 D657 W659	E253-G255 PolarHBondContact O-N 2.97Å; G255-R625 PolarHBondContact O-NH1 3.21Å; G255-D657 PolarHBondContact N-OD2 3.41Å; G255-W659 PolarHBondContact O-NE1 2.96Å
256	E	95	Very high	95.6	Very high	13 Å²	13	27.9 Å²	27.9	6%	0.061	16%	0.156	C	C	.	.			trans	-81.4	115.6	166.3	-171.3	-166.7	-159.5	0	0	109.4	S246 H252 E253 I301 R302 W659	S246-E256 PolarHBondContact OG-OE1 2.86Å; H252-E256 PolarHBondContact CE1-O 2.92Å; H252-E256 VanDerWaalsContact CE1-O 3.22Å; E253-E256 HydrophobicContact CB-CB 4.02Å; E253-E256 WeakPolarHBondContact O-CB 3.42Å; E253-E256 PolarHBondContact O-N 3.24Å; E256-I301 VanDerWaalsContact OE1-C 3.28Å; E256-R302 HydrophobicContact CG-CB 4.23Å; E256-R302 PolarHBondContact OE1-N 2.89Å; E256-R302 WeakPolarHBondContact OE2-CD 3.29Å; E256-W659 VanDerWaalsContact C-CZ2 3.45Å; E256-W659 WeakPolarHBondContact O-CZ2 3.5Å
257	P	97	Very high	95.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.156	C	C	.	.			trans	-71.2	139.5	177.7	27.9	-32.4	0	0	0	112.1	G300 R302 V397 V620 W659	P257-G300 WeakPolarHBondContact CD-O 3.11Å; P257-R302 PolarHBondContact O-N 3.27Å; P257-V397 HydrophobicContact CB-CB 4.41Å; P257-V397 HydrophobicContact CB-CG2 3.97Å; P257-V620 HydrophobicContact CB-CG1 4.32Å; P257-V620 HydrophobicContact CB-CG2 3.7Å; P257-V620 HydrophobicContact CG-CG1 3.76Å; P257-V620 HydrophobicContact CG-CG2 4.08Å; P257-W659 HydrophobicContact CB-CD2 4.29Å; P257-W659 HydrophobicContact CB-CG 4.27Å
258	E	98.1	Very high	95.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125.3	167.9	-59.5	-75.4	-179.3	0	0	110	H252 R302 H304 P395 F396 V397	H252-E258 IonicContact CE1-OE1 3.66Å; H252-E258 IonicContact CG-OE1 3.66Å; H252-E258 IonicContact ND1-OE1 2.66Å; H252-E258 PolarHBondContact ND1-OE1 3.3Å; E258-R302 WeakPolarHBondContact OE1-CD 3.47Å; E258-R302 IonicContact OE1-CZ 3.09Å; E258-R302 IonicContact OE1-NH1 3.24Å; E258-R302 PolarHBondContact OE1-NH1 3.21Å; E258-R302 VanDerWaalsContact OE2-CB 3.3Å; E258-R302 WeakPolarHBondContact OE2-CB 3.49Å; E258-R302 VanDerWaalsContact OE2-CG 3.26Å; E258-R302 WeakPolarHBondContact OE2-CG 3.34Å; E258-R302 IonicContact OE2-NH1 2.84Å; E258-R302 PolarHBondContact OE2-NH1 3.26Å; E258-H304 IonicContact OE2-CD2 2.68Å; E258-H304 PolarHBondContact OE2-CD2 2.93Å; E258-H304 IonicContact OE2-NE2 3.37Å; E258-H304 PolarHBondContact OE2-NE2 3.28Å; E258-P395 HydrophobicContact CG-CG 3.75Å; E258-F396 HydrophobicContact CB-CD1 3.85Å; E258-F396 HydrophobicContact CB-CE1 4.32Å; E258-V397 PolarHBondContact O-N 3.31Å
259	F	98.7	Very high	95.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	151	178.1	175.8	-86.4	0	0	0	110.6	F261 I301 R302 I303 H304 L398 F616 M617 V620	F259-F261 HydrophobicContact CE1-CB 4.45Å; F259-F261 HydrophobicContact CE1-CD1 4.03Å; F259-F261 AromaticContact CE1-CD2 3.58Å; F259-F261 HydrophobicContact CE1-CD2 3.58Å; F259-F261 HydrophobicContact CE1-CE1 4.16Å; F259-F261 AromaticContact CE1-CE2 3.72Å; F259-F261 HydrophobicContact CE1-CE2 3.72Å; F259-F261 AromaticContact CE1-CG 3.72Å; F259-F261 HydrophobicContact CE1-CG 3.72Å; F259-F261 HydrophobicContact CE1-CZ 4.01Å; F259-F261 AromaticContact CZ-CD1 3.86Å; F259-F261 HydrophobicContact CZ-CD1 3.86Å; F259-F261 HydrophobicContact CZ-CD2 4.05Å; F259-F261 AromaticContact CZ-CE1 3.65Å; F259-F261 HydrophobicContact CZ-CE1 3.65Å; F259-F261 AromaticContact CZ-CE2 3.84Å; F259-F261 HydrophobicContact CZ-CE2 3.84Å; F259-F261 HydrophobicContact CZ-CG 4.05Å; F259-F261 AromaticContact CZ-CZ 3.63Å; F259-F261 HydrophobicContact CZ-CZ 3.63Å; F259-I301 HydrophobicContact CB-CG2 3.43Å; F259-I301 VanDerWaalsContact CB-CG2 3.43Å; F259-I301 HydrophobicContact CG-CG2 4.35Å; F259-R302 PolarHBondContact N-O 3.17Å; F259-I303 HydrophobicContact CD1-CG2 4.08Å; F259-H304 WeakPolarHBondContact O-CB 3.01Å; F259-H304 PolarHBondContact O-N 3Å; F259-L398 WeakPolarHBondContact CA-O 3.5Å; F259-L398 HydrophobicContact CD2-CB 4.03Å; F259-L398 HydrophobicContact CD2-CD2 4.26Å; F259-L398 HydrophobicContact CD2-CG 4.19Å; F259-L398 VanDerWaalsContact CD2-O 3.32Å; F259-L398 WeakPolarHBondContact CD2-O 3.35Å; F259-L398 HydrophobicContact CE2-CB 4.32Å; F259-L398 HydrophobicContact CE2-CD2 4.02Å; F259-L398 HydrophobicContact CE2-CG 3.97Å; F259-F616 AromaticContact CE2-CD1 3.86Å; F259-F616 HydrophobicContact CE2-CD1 3.86Å; F259-F616 AromaticContact CE2-CE1 3.77Å; F259-F616 HydrophobicContact CE2-CE1 3.77Å; F259-F616 AromaticContact CZ-CD1 3.83Å; F259-F616 HydrophobicContact CZ-CD1 3.83Å; F259-F616 AromaticContact CZ-CE1 3.93Å; F259-F616 HydrophobicContact CZ-CE1 3.93Å; F259-M617 HydrophobicContact CD1-CG 3.95Å; F259-M617 HydrophobicContact CD1-SD 4.32Å; F259-M617 HydrophobicContact CD2-CG 4.49Å; F259-M617 HydrophobicContact CE1-CG 3.52Å; F259-M617 HydrophobicContact CE1-SD 4.1Å; F259-M617 HydrophobicContact CE2-CG 4.09Å; F259-M617 HydrophobicContact CG-CG 4.44Å; F259-M617 HydrophobicContact CZ-CG 3.61Å; F259-V620 HydrophobicContact CD2-CB 4.3Å; F259-V620 HydrophobicContact CD2-CG2 4.5Å
260	R	98.4	Very high	95.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139	172	67.7	-177.5	-168.8	-144.3	2.5	116.1	H304 W390 M391 F396 L398 G399 A400 S578 E586	R260-H304 CarbonylContact C-O 3.6Å; R260-H304 VanDerWaalsContact CA-O 3.26Å; R260-H304 WeakPolarHBondContact CA-O 3.22Å; R260-H304 HydrophobicContact CB-CB 4.25Å; R260-W390 HydrophobicContact CB-CH2 3.94Å; R260-W390 HydrophobicContact CB-CZ2 4.28Å; R260-W390 VanDerWaalsContact CD-CH2 3.48Å; R260-W390 HydrophobicContact CG-CH2 4.3Å; R260-M391 PolarHBondContact NH2-SD 2.95Å; R260-M391 VanDerWaalsContact NH2-SD 3.39Å; R260-F396 HydrophobicContact CB-CD1 4.04Å; R260-F396 HydrophobicContact CB-CE1 3.84Å; R260-F396 HydrophobicContact CB-CZ 4.4Å; R260-F396 HydrophobicContact CG-CD1 4.19Å; R260-F396 HydrophobicContact CG-CE1 4.4Å; R260-L398 PolarHBondContact N-O 2.92Å; R260-L398 VanDerWaalsContact N-O 3.08Å; R260-G399 CarbonylContact O-C 3.59Å; R260-G399 WeakPolarHBondContact O-CA 3.21Å; R260-A400 PolarHBondContact O-N 2.86Å; R260-A400 VanDerWaalsContact O-N 3.09Å; R260-S578 PolarHBondContact NH2-OG 2.91Å; R260-E586 IonicContact CZ-OE2 2.95Å; R260-E586 IonicContact NE-OE2 3.99Å; R260-E586 PolarHBondContact NE-OE2 3.43Å; R260-E586 IonicContact NH2-OE1 3.65Å; R260-E586 PolarHBondContact NH2-OE1 3.11Å; R260-E586 VanDerWaalsContact NH2-OE1 3.15Å; R260-E586 IonicContact NH2-OE2 3.54Å; R260-E586 PolarHBondContact NH2-OE2 3.43Å
261	F	98.8	Very high	95.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138	155.6	-77.3	-50.5	0	0	0	110	F259 I276 L279 H304 L305 V306 A400 F402 M613 F616 M617	F259-F261 HydrophobicContact CE1-CB 4.45Å; F259-F261 HydrophobicContact CE1-CD1 4.03Å; F259-F261 AromaticContact CE1-CD2 3.58Å; F259-F261 HydrophobicContact CE1-CD2 3.58Å; F259-F261 HydrophobicContact CE1-CE1 4.16Å; F259-F261 AromaticContact CE1-CE2 3.72Å; F259-F261 HydrophobicContact CE1-CE2 3.72Å; F259-F261 AromaticContact CE1-CG 3.72Å; F259-F261 HydrophobicContact CE1-CG 3.72Å; F259-F261 HydrophobicContact CE1-CZ 4.01Å; F259-F261 AromaticContact CZ-CD1 3.86Å; F259-F261 HydrophobicContact CZ-CD1 3.86Å; F259-F261 HydrophobicContact CZ-CD2 4.05Å; F259-F261 AromaticContact CZ-CE1 3.65Å; F259-F261 HydrophobicContact CZ-CE1 3.65Å; F259-F261 AromaticContact CZ-CE2 3.84Å; F259-F261 HydrophobicContact CZ-CE2 3.84Å; F259-F261 HydrophobicContact CZ-CG 4.05Å; F259-F261 AromaticContact CZ-CZ 3.63Å; F259-F261 HydrophobicContact CZ-CZ 3.63Å; F261-I276 HydrophobicContact CB-CD1 3.9Å; F261-I276 HydrophobicContact CB-CG1 4.25Å; F261-L279 HydrophobicContact CD2-CD2 3.83Å; F261-L279 HydrophobicContact CE2-CD2 3.99Å; F261-H304 PolarHBondContact N-O 3.44Å; F261-L305 HydrophobicContact CB-CD2 3.88Å; F261-L305 HydrophobicContact CD2-CD2 3.94Å; F261-L305 HydrophobicContact CG-CD2 4.42Å; F261-V306 PolarHBondContact O-N 3.15Å; F261-A400 WeakPolarHBondContact CA-O 3.26Å; F261-A400 HydrophobicContact CD1-CB 4.07Å; F261-A400 HydrophobicContact CE1-CB 4.05Å; F261-F402 HydrophobicContact CB-CE2 3.93Å; F261-F402 HydrophobicContact CD1-CE1 4.47Å; F261-F402 AromaticContact CD1-CE2 3.59Å; F261-F402 HydrophobicContact CD1-CE2 3.59Å; F261-F402 AromaticContact CD1-CZ 3.48Å; F261-F402 HydrophobicContact CD1-CZ 3.48Å; F261-F402 VanDerWaalsContact CD1-CZ 3.48Å; F261-F402 HydrophobicContact CD2-CE2 4.36Å; F261-F402 HydrophobicContact CD2-CZ 4.45Å; F261-F402 HydrophobicContact CE1-CE1 4.35Å; F261-F402 HydrophobicContact CE1-CE2 4.12Å; F261-F402 AromaticContact CE1-CZ 3.52Å; F261-F402 HydrophobicContact CE1-CZ 3.52Å; F261-F402 HydrophobicContact CE2-CZ 4.49Å; F261-F402 AromaticContact CG-CE2 3.73Å; F261-F402 HydrophobicContact CG-CE2 3.73Å; F261-F402 AromaticContact CG-CZ 3.99Å; F261-F402 HydrophobicContact CG-CZ 3.99Å; F261-F402 HydrophobicContact CZ-CZ 4.06Å; F261-M613 HydrophobicContact CD2-CE 4.43Å; F261-M613 HydrophobicContact CE2-CB 4.11Å; F261-M613 HydrophobicContact CE2-CE 4.39Å; F261-M613 HydrophobicContact CZ-CB 4.14Å; F261-M613 HydrophobicContact CZ-CG 4.45Å; F261-F616 AromaticContact CE1-CD1 3.65Å; F261-F616 HydrophobicContact CE1-CD1 3.65Å; F261-F616 HydrophobicContact CE1-CE1 4.08Å; F261-F616 AromaticContact CZ-CD1 3.84Å; F261-F616 HydrophobicContact CZ-CD1 3.84Å; F261-M617 HydrophobicContact CD2-SD 4.41Å; F261-M617 HydrophobicContact CE2-CE 4.39Å; F261-M617 HydrophobicContact CE2-CG 3.69Å; F261-M617 HydrophobicContact CE2-SD 3.9Å; F261-M617 HydrophobicContact CZ-CG 4.1Å
262	T	98.7	Very high	96.1	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.6	174.9	60	0	0	0	0	110.5	V306 L309 W390 A400 N401 F402	T262-V306 CarbonylContact C-O 3.48Å; T262-V306 WeakPolarHBondContact CA-O 3.24Å; T262-V306 HydrophobicContact CG2-CB 4.11Å; T262-V306 HydrophobicContact CG2-CG2 4.11Å; T262-L309 HydrophobicContact CG2-CD1 4.27Å; T262-W390 HydrophobicContact CG2-CH2 3.69Å; T262-W390 HydrophobicContact CG2-CZ3 3.82Å; T262-A400 PolarHBondContact N-O 3.43Å; T262-A400 PolarHBondContact OG1-O 3.45Å; T262-N401 CarbonylContact O-C 3.57Å; T262-N401 WeakPolarHBondContact O-CA 3.22Å; T262-N401 WeakPolarHBondContact OG1-CA 3.36Å; T262-N401 VanDerWaalsContact OG1-CB 3.29Å; T262-N401 WeakPolarHBondContact OG1-CB 3.19Å; T262-F402 PolarHBondContact O-N 3.11Å
263	A	98.6	Very high	96.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.			trans	-147.1	173.2	175.3	0	0	0	0	0	111.8	L265 G272 I276 V306 P307 S308 L309 F402	A263-L265 VanDerWaalsContact C-N 3.31Å; A263-L265 PolarHBondContact O-N 3.35Å; A263-G272 VanDerWaalsContact CB-O 3.29Å; A263-G272 WeakPolarHBondContact CB-O 3.4Å; A263-I276 HydrophobicContact CB-CD1 3.67Å; A263-I276 HydrophobicContact CB-CG1 4.49Å; A263-V306 PolarHBondContact N-O 3.13Å; A263-P307 CarbonylContact C-O 3.41Å; A263-S308 WeakPolarHBondContact O-CA 3.46Å; A263-L309 PolarHBondContact O-N 3.17Å; A263-F402 HydrophobicContact CB-CB 4.14Å; A263-F402 HydrophobicContact CB-CD2 4.33Å
264	G	96.6	Very high	96.6	Very high	3 Å²	3	8 Å²	8	3%	0.031	5%	0.045	C	C	.	.			trans	60.8	40.1	179.6	0	0	0	0	0	112.3	H266 L309 N310	G264-H266 VanDerWaalsContact C-N 3.27Å; G264-H266 CarbonylContact C-O 3.59Å; G264-H266 WeakPolarHBondContact CA-O 3.41Å; G264-L309 PolarHBondContact O-N 3.31Å; G264-N310 VanDerWaalsContact O-CB 3.3Å; G264-N310 WeakPolarHBondContact O-CB 3.42Å; G264-N310 PolarHBondContact O-N 3.03Å
265	L	96.6	Very high	97	Very high	1 Å²	1	2.7 Å²	2.7	1%	0.005	2%	0.019	C	C	.	.	S	Bend	trans	-58.2	-47.8	164	-78.2	164.7	0	0	0	109.6	A263 L309 N310 I339 F340 N401 Q403 M574	A263-L265 VanDerWaalsContact C-N 3.31Å; A263-L265 PolarHBondContact O-N 3.35Å; L265-L309 HydrophobicContact CD2-CB 4.46Å; L265-L309 HydrophobicContact CD2-CD1 3.53Å; L265-L309 HydrophobicContact CG-CD1 4.02Å; L265-N310 WeakPolarHBondContact O-CB 3.31Å; L265-I339 HydrophobicContact CD2-CB 4.17Å; L265-I339 HydrophobicContact CD2-CG2 3.71Å; L265-F340 HydrophobicContact CD1-CB 4.31Å; L265-F340 HydrophobicContact CD1-CD2 3.78Å; L265-F340 HydrophobicContact CD1-CG 4.45Å; L265-N401 HydrophobicContact CD1-CB 3.68Å; L265-Q403 HydrophobicContact CD1-CG 4.31Å; L265-M574 HydrophobicContact CD1-CE 3.93Å; L265-M574 HydrophobicContact CD2-CE 3.94Å; L265-M574 HydrophobicContact CD2-SD 3.89Å; L265-M574 HydrophobicContact CG-CE 4.35Å
266	H	97.4	Very high	97.5	Very high	4 Å²	4	2 Å²	2	2%	0.019	1%	0.011	C	C	.	.	S	Bend	trans	-98.1	128.6	164.8	-44.5	126.5	0	0	0	107.9	G264 N268 E269 H331 D338	G264-H266 VanDerWaalsContact C-N 3.27Å; G264-H266 CarbonylContact C-O 3.59Å; G264-H266 WeakPolarHBondContact CA-O 3.41Å; H266-N268 VanDerWaalsContact C-N 3.27Å; H266-N268 PolarHBondContact O-N 3.25Å; H266-E269 HydrophobicContact CB-CB 4.35Å; H266-E269 HydrophobicContact CB-CG 4.06Å; H266-E269 IonicContact CE1-OE1 2.91Å; H266-E269 IonicContact CE1-OE2 3.73Å; H266-E269 IonicContact CG-OE1 2.69Å; H266-E269 IonicContact CG-OE2 2.75Å; H266-E269 IonicContact ND1-OE1 2.96Å; H266-E269 PolarHBondContact ND1-OE1 3.03Å; H266-E269 IonicContact ND1-OE2 2.76Å; H266-E269 PolarHBondContact ND1-OE2 3.01Å; H266-E269 PolarHBondContact O-N 2.83Å; H266-H331 VanDerWaalsContact CA-O 3.28Å; H266-H331 WeakPolarHBondContact CA-O 3.46Å; H266-H331 WeakPolarHBondContact CB-CE1 3.4Å; H266-H331 WeakPolarHBondContact CB-ND1 3.41Å; H266-H331 AromaticContact CD2-CE1 3.95Å; H266-H331 AromaticContact CD2-ND1 3.73Å; H266-H331 AromaticContact CD2-NE2 3.15Å; H266-H331 PolarHBondContact CD2-NE2 2.83Å; H266-H331 AromaticContact CE1-NE2 2.93Å; H266-H331 PolarHBondContact CE1-NE2 2.95Å; H266-H331 AromaticContact CG-CE1 3.25Å; H266-H331 AromaticContact CG-ND1 3.37Å; H266-H331 AromaticContact CG-NE2 2.97Å; H266-H331 AromaticContact ND1-CE1 3.74Å; H266-H331 AromaticContact ND1-ND1 3.93Å; H266-H331 AromaticContact ND1-NE2 2.83Å; H266-H331 PolarHBondContact ND1-NE2 2.94Å; H266-H331 AromaticContact NE2-NE2 3.15Å; H266-H331 PolarHBondContact NE2-NE2 2.86Å; H266-H331 VanDerWaalsContact NE2-NE2 3.15Å; H266-D338 IonicContact CD2-OD1 3.12Å; H266-D338 IonicContact NE2-OD1 3.88Å; H266-D338 PolarHBondContact NE2-OD1 3.12Å; H266-D338 IonicContact NE2-OD2 3.96Å
267	G	95.3	Very high	97.7	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.008	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-30.3	-171.5	0	0	0	0	0	114	E269 H314 G330	G267-E269 VanDerWaalsContact C-N 3.33Å; G267-H314 WeakPolarHBondContact O-CA 3.45Å; G267-H314 PolarHBondContact O-ND1 2.72Å; G267-G330 WeakPolarHBondContact CA-O 3.41Å; G267-G330 PolarHBondContact N-O 2.85Å
268	N	95.7	Very high	97.7	Very high	1 Å²	1	1.6 Å²	1.6	1%	0.005	1%	0.009	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-3.1	178	64.8	-15.4	0	0	0	115.3	H266 A270 A317 W327 M329 G330 H331 K595	H266-N268 VanDerWaalsContact C-N 3.27Å; H266-N268 PolarHBondContact O-N 3.25Å; N268-A270 VanDerWaalsContact C-N 3.26Å; N268-A270 PolarHBondContact O-N 3.28Å; N268-A270 VanDerWaalsContact O-N 3.15Å; N268-A317 HydrophobicContact CB-CB 3.75Å; N268-W327 PolarHBondContact ND2-O 3.28Å; N268-M329 WeakPolarHBondContact CB-O 3.27Å; N268-M329 PolarHBondContact ND2-O 3.35Å; N268-G330 PolarHBondContact N-O 3.24Å; N268-H331 WeakPolarHBondContact OD1-CA 3.45Å; N268-H331 PolarHBondContact OD1-CE1 3.13Å; N268-K595 CarbonylContact O-C 3.58Å; N268-K595 WeakPolarHBondContact O-CB 3.27Å
269	E	96.9	Very high	97.8	Very high	6 Å²	6	1.6 Å²	1.6	3%	0.028	1%	0.009	C	C	.	.			trans	-91.1	66.6	176.3	-70.3	169.8	-157.6	0	0	109.4	H266 G267 V271 H331 Q403 G404 K595	H266-E269 HydrophobicContact CB-CB 4.35Å; H266-E269 HydrophobicContact CB-CG 4.06Å; H266-E269 IonicContact CE1-OE1 2.91Å; H266-E269 IonicContact CE1-OE2 3.73Å; H266-E269 IonicContact CG-OE1 2.69Å; H266-E269 IonicContact CG-OE2 2.75Å; H266-E269 IonicContact ND1-OE1 2.96Å; H266-E269 PolarHBondContact ND1-OE1 3.03Å; H266-E269 IonicContact ND1-OE2 2.76Å; H266-E269 PolarHBondContact ND1-OE2 3.01Å; H266-E269 PolarHBondContact O-N 2.83Å; G267-E269 VanDerWaalsContact C-N 3.33Å; E269-V271 PolarHBondContact O-N 3.16Å; E269-H331 IonicContact OE1-CE1 3.28Å; E269-H331 PolarHBondContact OE1-CE1 3.19Å; E269-H331 IonicContact OE1-ND1 3.97Å; E269-H331 IonicContact OE1-NE2 2.7Å; E269-H331 PolarHBondContact OE1-NE2 3.25Å; E269-Q403 VanDerWaalsContact OE2-CA 3.28Å; E269-Q403 WeakPolarHBondContact OE2-CA 3.44Å; E269-Q403 VanDerWaalsContact OE2-CB 3.31Å; E269-Q403 WeakPolarHBondContact OE2-CB 3.4Å; E269-G404 VanDerWaalsContact CD-N 3.32Å; E269-G404 PolarHBondContact OE2-N 3.31Å; E269-K595 CarbonylContact C-O 3.5Å; E269-K595 WeakPolarHBondContact CA-O 3.24Å; E269-K595 HydrophobicContact CG-CB 4.04Å; E269-K595 HydrophobicContact CG-CD 3.75Å; E269-K595 HydrophobicContact CG-CG 3.92Å; E269-K595 VanDerWaalsContact OE1-CE 3.31Å; E269-K595 WeakPolarHBondContact OE1-CE 3.48Å; E269-K595 IonicContact OE1-NZ 3.28Å; E269-K595 PolarHBondContact OE1-NZ 3.33Å
270	A	96.2	Very high	97.8	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-69.9	-28.4	-164.4	0	0	0	0	0	114.1	N268 G272 R273 E274 K595 F596	N268-A270 VanDerWaalsContact C-N 3.26Å; N268-A270 PolarHBondContact O-N 3.28Å; N268-A270 VanDerWaalsContact O-N 3.15Å; A270-G272 VanDerWaalsContact C-N 3.29Å; A270-G272 PolarHBondContact O-N 2.93Å; A270-R273 WeakPolarHBondContact O-CB 3.46Å; A270-R273 PolarHBondContact O-N 3.21Å; A270-E274 PolarHBondContact O-N 2.81Å; A270-K595 PolarHBondContact N-O 2.94Å; A270-F596 HydrophobicContact CB-CB 4.47Å; A270-F596 HydrophobicContact CB-CD1 3.82Å; A270-F596 HydrophobicContact CB-CD2 3.92Å; A270-F596 HydrophobicContact CB-CE1 3.96Å; A270-F596 HydrophobicContact CB-CE2 4.04Å; A270-F596 HydrophobicContact CB-CG 3.8Å; A270-F596 HydrophobicContact CB-CZ 4.06Å
271	V	96.9	Very high	97.8	Very high	6 Å²	6	2.7 Å²	2.7	4%	0.036	1%	0.014	C	C	.	.	H	α-helix	trans	-54.9	-44.8	-175.1	-169.8	0	0	0	0	111.9	E269 R273 E274 L275 L591 P597 E605	E269-V271 PolarHBondContact O-N 3.16Å; V271-R273 VanDerWaalsContact C-N 3.31Å; V271-R273 PolarHBondContact O-N 3.01Å; V271-E274 PolarHBondContact O-N 3.5Å; V271-L275 HydrophobicContact CG1-CD1 4.1Å; V271-L275 HydrophobicContact CG1-CG 4.18Å; V271-L275 VanDerWaalsContact O-CG 3.31Å; V271-L275 WeakPolarHBondContact O-CG 3.5Å; V271-L275 PolarHBondContact O-N 3.48Å; V271-L591 HydrophobicContact CB-CB 4.45Å; V271-L591 HydrophobicContact CB-CD1 3.94Å; V271-L591 HydrophobicContact CG1-CB 4.25Å; V271-L591 HydrophobicContact CG1-CD1 3.89Å; V271-P597 HydrophobicContact CG2-CG 3.49Å; V271-P597 VanDerWaalsContact CG2-CG 3.49Å; V271-E605 HydrophobicContact CG1-CB 3.88Å; V271-E605 HydrophobicContact CG1-CG 3.95Å
272	G	98.1	Very high	97.7	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.01	2%	0.019	C	C	.	.	H	α-helix	trans	-64.1	-33.6	-179.1	0	0	0	0	0	113.9	A263 A270 I276	A263-G272 VanDerWaalsContact CB-O 3.29Å; A263-G272 WeakPolarHBondContact CB-O 3.4Å; A270-G272 VanDerWaalsContact C-N 3.29Å; A270-G272 PolarHBondContact O-N 2.93Å; G272-I276 WeakPolarHBondContact O-CG1 3.34Å; G272-I276 PolarHBondContact O-N 3.25Å
273	R	98.3	Very high	97.7	Very high	1 Å²	1	3.8 Å²	3.8	0%	0.004	2%	0.019	C	C	.	.	H	α-helix	trans	-63.3	-52.1	176.2	170.4	-164.7	178.5	93	-6.7	109.7	H206 S207 M211 A270 V271 I276 L277 P307 S308 H314	H206-R273 PolarHBondContact O-NE 2.72Å; H206-R273 PolarHBondContact O-NH2 3.46Å; S207-R273 PolarHBondContact O-NH2 2.98Å; M211-R273 PolarHBondContact SD-NH1 2.96Å; A270-R273 WeakPolarHBondContact O-CB 3.46Å; A270-R273 PolarHBondContact O-N 3.21Å; V271-R273 VanDerWaalsContact C-N 3.31Å; V271-R273 PolarHBondContact O-N 3.01Å; R273-I276 PolarHBondContact O-N 2.96Å; R273-L277 HydrophobicContact CG-CD1 4.42Å; R273-L277 WeakPolarHBondContact O-CG 3.45Å; R273-L277 PolarHBondContact O-N 2.96Å; R273-L277 VanDerWaalsContact O-N 3.13Å; R273-P307 WeakPolarHBondContact CA-O 3.48Å; R273-P307 VanDerWaalsContact CB-O 3.22Å; R273-P307 WeakPolarHBondContact CB-O 3.37Å; R273-P307 HydrophobicContact CG-CB 4.25Å; R273-P307 WeakPolarHBondContact CG-O 3.42Å; R273-S308 PolarHBondContact NH1-OG 2.66Å; R273-S308 VanDerWaalsContact NH1-OG 3.16Å; R273-H314 VanDerWaalsContact CD-CE1 3.41Å; R273-H314 WeakPolarHBondContact CD-CE1 3.47Å; R273-H314 PolarHBondContact NE-NE2 3.35Å; R273-H314 VanDerWaalsContact NE-NE2 3.19Å; R273-H314 PolarHBondContact NH1-CD2 3.23Å
274	E	98.5	Very high	97.7	Very high	3 Å²	3	3.9 Å²	3.9	1%	0.014	2%	0.019	C	C	.	.	H	α-helix	trans	-68.9	-38.3	-177	-55	-51.8	152.5	0	0	111.8	H206 A270 V271 I276 L277 L278 L602	H206-E274 IonicContact CE1-OE2 2.71Å; H206-E274 IonicContact CG-OE2 3.39Å; H206-E274 PolarHBondContact N-OE1 3.02Å; H206-E274 IonicContact ND1-OE1 3.55Å; H206-E274 IonicContact ND1-OE2 3.47Å; H206-E274 PolarHBondContact ND1-OE2 3.03Å; A270-E274 PolarHBondContact O-N 2.81Å; V271-E274 PolarHBondContact O-N 3.5Å; E274-I276 VanDerWaalsContact C-N 3.3Å; E274-I276 PolarHBondContact O-N 2.88Å; E274-L277 PolarHBondContact O-N 3.46Å; E274-L277 VanDerWaalsContact O-N 3.15Å; E274-L278 WeakPolarHBondContact O-CB 3.42Å; E274-L278 VanDerWaalsContact O-CG 3.27Å; E274-L278 WeakPolarHBondContact O-CG 3.25Å; E274-L278 PolarHBondContact O-N 3.32Å; E274-L602 HydrophobicContact CB-CD2 4.12Å; E274-L602 HydrophobicContact CG-CD1 4.4Å; E274-L602 HydrophobicContact CG-CD2 4.28Å
275	L	98.6	Very high	97.7	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.01	3%	0.029	C	C	.	.	H	α-helix	trans	-59.7	-37.3	172.4	-70.5	-177.7	0	0	0	113	V271 L279 L591 W606 N609 M613	V271-L275 HydrophobicContact CG1-CD1 4.1Å; V271-L275 HydrophobicContact CG1-CG 4.18Å; V271-L275 VanDerWaalsContact O-CG 3.31Å; V271-L275 WeakPolarHBondContact O-CG 3.5Å; V271-L275 PolarHBondContact O-N 3.48Å; L275-L279 WeakPolarHBondContact O-CB 3.43Å; L275-L279 PolarHBondContact O-N 3.3Å; L275-L591 HydrophobicContact CD1-CD1 3.71Å; L275-L591 HydrophobicContact CD1-CD2 3.87Å; L275-L591 HydrophobicContact CD1-CG 4.41Å; L275-W606 HydrophobicContact CD2-CB 4.23Å; L275-W606 HydrophobicContact CD2-CE3 3.9Å; L275-N609 HydrophobicContact CD1-CB 3.72Å; L275-N609 HydrophobicContact CD2-CB 4.26Å; L275-M613 HydrophobicContact CB-CE 4.06Å; L275-M613 HydrophobicContact CB-SD 4.13Å; L275-M613 HydrophobicContact CD1-SD 4.39Å
276	I	98.8	Very high	97.7	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-67.7	-40.7	175.1	-76.3	-179.4	0	0	0	111.2	F261 A263 G272 R273 E274 L279 M280 L305 V306 P307 F402	F261-I276 HydrophobicContact CB-CD1 3.9Å; F261-I276 HydrophobicContact CB-CG1 4.25Å; A263-I276 HydrophobicContact CB-CD1 3.67Å; A263-I276 HydrophobicContact CB-CG1 4.49Å; G272-I276 WeakPolarHBondContact O-CG1 3.34Å; G272-I276 PolarHBondContact O-N 3.25Å; R273-I276 PolarHBondContact O-N 2.96Å; E274-I276 VanDerWaalsContact C-N 3.3Å; E274-I276 PolarHBondContact O-N 2.88Å; I276-L279 PolarHBondContact O-N 3.09Å; I276-M280 HydrophobicContact CG2-CE 3.77Å; I276-M280 WeakPolarHBondContact O-CG 3.49Å; I276-M280 PolarHBondContact O-N 3.4Å; I276-L305 HydrophobicContact CG2-CB 3.99Å; I276-V306 WeakPolarHBondContact CD1-O 3.43Å; I276-P307 HydrophobicContact CB-CB 4.32Å; I276-P307 HydrophobicContact CG2-CB 3.85Å; I276-P307 HydrophobicContact CG2-CG 4.49Å; I276-F402 HydrophobicContact CD1-CD2 3.96Å; I276-F402 HydrophobicContact CD1-CE2 4.15Å; I276-F402 HydrophobicContact CG1-CD2 4.03Å; I276-F402 HydrophobicContact CG1-CE2 3.94Å
277	L	98.8	Very high	97.7	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-67.7	-36.9	177.1	-67.1	174.5	0	0	0	112.5	H206 M211 L214 M215 R273 E274 M280 Q281 P307	H206-L277 HydrophobicContact CB-CD1 4.14Å; M211-L277 HydrophobicContact CB-CD1 4.35Å; M211-L277 HydrophobicContact CG-CD1 3.99Å; M211-L277 HydrophobicContact CG-CD2 3.93Å; L214-L277 HydrophobicContact CD2-CB 3.86Å; L214-L277 HydrophobicContact CD2-CD1 4.3Å; L214-L277 HydrophobicContact CD2-CD2 4.29Å; L214-L277 HydrophobicContact CD2-CG 4.37Å; M215-L277 HydrophobicContact CG-CD2 4.04Å; R273-L277 HydrophobicContact CG-CD1 4.42Å; R273-L277 WeakPolarHBondContact O-CG 3.45Å; R273-L277 PolarHBondContact O-N 2.96Å; R273-L277 VanDerWaalsContact O-N 3.13Å; E274-L277 PolarHBondContact O-N 3.46Å; E274-L277 VanDerWaalsContact O-N 3.15Å; L277-M280 HydrophobicContact CD2-SD 4.11Å; L277-M280 PolarHBondContact O-N 3.13Å; L277-Q281 PolarHBondContact O-N 3.46Å; L277-Q281 PolarHBondContact O-NE2 3.28Å; L277-P307 HydrophobicContact CD2-CB 4.02Å; L277-P307 HydrophobicContact CD2-CG 4.08Å; L277-P307 HydrophobicContact CG-CB 4.08Å
278	L	98.7	Very high	97.8	Very high	4 Å²	4	15 Å²	15	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-66.2	-39.3	171.4	-68.6	166.1	0	0	0	111.3	L201 F203 E274 M280 Q281 Y282 W606	L201-L278 HydrophobicContact CB-CD2 3.85Å; L201-L278 HydrophobicContact CD2-CD2 4.24Å; L201-L278 HydrophobicContact CG-CD2 4.43Å; F203-L278 HydrophobicContact CD1-CD1 3.94Å; F203-L278 HydrophobicContact CD1-CD2 3.94Å; F203-L278 HydrophobicContact CE1-CD1 3.87Å; F203-L278 HydrophobicContact CE1-CD2 3.81Å; F203-L278 HydrophobicContact CZ-CD2 4.3Å; E274-L278 WeakPolarHBondContact O-CB 3.42Å; E274-L278 VanDerWaalsContact O-CG 3.27Å; E274-L278 WeakPolarHBondContact O-CG 3.25Å; E274-L278 PolarHBondContact O-N 3.32Å; L278-M280 PolarHBondContact O-N 3.04Å; L278-Q281 PolarHBondContact O-N 3.03Å; L278-Y282 VanDerWaalsContact O-CB 3.28Å; L278-Y282 WeakPolarHBondContact O-CB 3.12Å; L278-Y282 PolarHBondContact O-N 3Å; L278-W606 HydrophobicContact CB-CD2 4.08Å; L278-W606 HydrophobicContact CB-CE3 3.57Å; L278-W606 HydrophobicContact CB-CH2 4.3Å; L278-W606 HydrophobicContact CB-CZ3 3.7Å; L278-W606 HydrophobicContact CD1-CB 4.05Å; L278-W606 HydrophobicContact CD1-CD2 4.27Å; L278-W606 HydrophobicContact CD1-CE3 4.08Å; L278-W606 HydrophobicContact CD1-CG 4.28Å; L278-W606 HydrophobicContact CG-CE3 4.47Å
279	L	98.7	Very high	97.8	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-64.2	-37.4	175.2	-176.3	65.1	0	0	0	112.6	F261 L275 I276 Y282 L283 L305 W606 M613 L614 M617	F261-L279 HydrophobicContact CD2-CD2 3.83Å; F261-L279 HydrophobicContact CE2-CD2 3.99Å; L275-L279 WeakPolarHBondContact O-CB 3.43Å; L275-L279 PolarHBondContact O-N 3.3Å; I276-L279 PolarHBondContact O-N 3.09Å; L279-Y282 HydrophobicContact CD1-CD1 4.32Å; L279-Y282 PolarHBondContact O-N 3.49Å; L279-L283 HydrophobicContact CD1-CD1 3.93Å; L279-L283 HydrophobicContact CD1-CD2 4.37Å; L279-L283 HydrophobicContact CD1-CG 3.83Å; L279-L283 HydrophobicContact CD2-CD1 4.38Å; L279-L283 HydrophobicContact CG-CD1 3.85Å; L279-L283 HydrophobicContact CG-CG 4.16Å; L279-L283 WeakPolarHBondContact O-CB 3.36Å; L279-L283 WeakPolarHBondContact O-CG 3.41Å; L279-L283 PolarHBondContact O-N 3.35Å; L279-L305 HydrophobicContact CD2-CD1 4.27Å; L279-L305 HydrophobicContact CD2-CD2 3.94Å; L279-L305 HydrophobicContact CG-CD1 4.38Å; L279-W606 HydrophobicContact CB-CH2 4.35Å; L279-W606 HydrophobicContact CB-CZ3 4.25Å; L279-W606 HydrophobicContact CD1-CH2 4.34Å; L279-M613 HydrophobicContact CB-CE 4.21Å; L279-M613 HydrophobicContact CD2-CE 3.9Å; L279-L614 HydrophobicContact CD1-CD2 4.15Å; L279-M617 HydrophobicContact CD1-CE 4.19Å; L279-M617 HydrophobicContact CD2-CE 4.14Å; L279-M617 HydrophobicContact CD2-SD 4.41Å
280	M	98.6	Very high	97.8	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-59.9	-49.4	174.3	-70.5	177.1	-170.1	0	0	111.6	M215 V218 M243 I245 I276 L277 L278 C284 L305 P307	M215-M280 HydrophobicContact CE-CE 4Å; M215-M280 HydrophobicContact CE-SD 4.46Å; M215-M280 HydrophobicContact CG-CE 4.39Å; M215-M280 HydrophobicContact CG-SD 3.85Å; M215-M280 HydrophobicContact SD-CE 4.49Å; V218-M280 HydrophobicContact CG1-CB 4.29Å; M243-M280 HydrophobicContact CB-CE 3.83Å; M243-M280 HydrophobicContact CB-SD 4.13Å; M243-M280 HydrophobicContact CE-SD 3.91Å; M243-M280 HydrophobicContact SD-CB 4.36Å; M243-M280 HydrophobicContact SD-CG 4.06Å; M243-M280 HydrophobicContact SD-SD 4.03Å; I245-M280 HydrophobicContact CD1-CG 4.42Å; I276-M280 HydrophobicContact CG2-CE 3.77Å; I276-M280 WeakPolarHBondContact O-CG 3.49Å; I276-M280 PolarHBondContact O-N 3.4Å; L277-M280 HydrophobicContact CD2-SD 4.11Å; L277-M280 PolarHBondContact O-N 3.13Å; L278-M280 PolarHBondContact O-N 3.04Å; M280-C284 WeakPolarHBondContact O-CB 3.44Å; M280-C284 PolarHBondContact O-N 3.14Å; M280-L305 HydrophobicContact CE-CB 3.64Å; M280-L305 HydrophobicContact CG-CB 4.47Å; M280-L305 HydrophobicContact CG-CD1 3.66Å; M280-P307 HydrophobicContact CE-CG 4.22Å
281	Q	98.3	Very high	97.9	Very high	20 Å²	20	30.1 Å²	30.1	9%	0.093	13%	0.133	C	C	.	.	H	α-helix	trans	-60.6	-49.3	176.4	-68	165.8	84.2	0	0	111.2	L201 L214 V218 L277 L278 C284 K285	L201-Q281 HydrophobicContact CD2-CB 3.62Å; L214-Q281 HydrophobicContact CD1-CG 4.11Å; V218-Q281 HydrophobicContact CG2-CG 3.78Å; L277-Q281 PolarHBondContact O-N 3.46Å; L277-Q281 PolarHBondContact O-NE2 3.28Å; L278-Q281 PolarHBondContact O-N 3.03Å; Q281-C284 PolarHBondContact O-N 3.11Å; Q281-K285 WeakPolarHBondContact O-CB 3.31Å; Q281-K285 PolarHBondContact O-N 3.01Å
282	Y	98.3	Very high	97.9	Very high	24 Å²	24	34.2 Å²	34.2	9%	0.094	16%	0.159	C	C	.	.	H	α-helix	trans	-58.2	-51.9	180	178.3	-96.6	0	0	0	112.5	Y200 L278 L279 C284 K285 E286 W606 L614	Y200-Y282 WeakPolarHBondContact OH-CD2 3.38Å; L278-Y282 VanDerWaalsContact O-CB 3.28Å; L278-Y282 WeakPolarHBondContact O-CB 3.12Å; L278-Y282 PolarHBondContact O-N 3Å; L279-Y282 HydrophobicContact CD1-CD1 4.32Å; L279-Y282 PolarHBondContact O-N 3.49Å; Y282-C284 PolarHBondContact O-N 3.5Å; Y282-K285 PolarHBondContact O-N 3.5Å; Y282-E286 HydrophobicContact CD1-CG 4.26Å; Y282-E286 HydrophobicContact CD2-CG 3.79Å; Y282-E286 HydrophobicContact CE1-CG 4Å; Y282-E286 HydrophobicContact CE2-CG 3.51Å; Y282-E286 HydrophobicContact CG-CG 4.17Å; Y282-E286 VanDerWaalsContact O-CB 3.31Å; Y282-E286 WeakPolarHBondContact O-CB 3.5Å; Y282-E286 VanDerWaalsContact O-CG 3.27Å; Y282-E286 WeakPolarHBondContact O-CG 3.25Å; Y282-E286 PolarHBondContact O-N 3.31Å; Y282-W606 HydrophobicContact CD1-CH2 4.5Å; Y282-W606 HydrophobicContact CD1-CZ2 4.49Å; Y282-W606 AromaticContact CD2-CZ2 3.88Å; Y282-W606 HydrophobicContact CD2-CZ2 3.88Å; Y282-W606 HydrophobicContact CG-CH2 4.1Å; Y282-W606 AromaticContact CG-CZ2 3.81Å; Y282-W606 HydrophobicContact CG-CZ2 3.81Å; Y282-L614 HydrophobicContact CD1-CD2 4.44Å; Y282-L614 HydrophobicContact CE1-CD1 3.82Å; Y282-L614 HydrophobicContact CE1-CD2 3.95Å; Y282-L614 HydrophobicContact CE1-CG 4.44Å
283	L	98.4	Very high	97.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-40.6	-178.7	-71.6	175.3	0	0	0	112.1	I245 L279 Y287 L297 I303 L614	I245-L283 HydrophobicContact CD1-CB 4.16Å; I245-L283 HydrophobicContact CD1-CD1 4.16Å; L279-L283 HydrophobicContact CD1-CD1 3.93Å; L279-L283 HydrophobicContact CD1-CD2 4.37Å; L279-L283 HydrophobicContact CD1-CG 3.83Å; L279-L283 HydrophobicContact CD2-CD1 4.38Å; L279-L283 HydrophobicContact CG-CD1 3.85Å; L279-L283 HydrophobicContact CG-CG 4.16Å; L279-L283 WeakPolarHBondContact O-CB 3.36Å; L279-L283 WeakPolarHBondContact O-CG 3.41Å; L279-L283 PolarHBondContact O-N 3.35Å; L283-Y287 WeakPolarHBondContact O-CB 3.39Å; L283-Y287 PolarHBondContact O-N 3.14Å; L283-Y287 VanDerWaalsContact O-N 3.07Å; L283-L297 HydrophobicContact CD2-CD1 4.45Å; L283-I303 HydrophobicContact CD1-CD1 4.03Å; L283-L614 HydrophobicContact CD2-CD2 4.36Å
284	C	97.9	Very high	97.8	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	17%	0.169	C	C	.	.	H	α-helix	trans	-60.9	-49.8	174	169	0	0	0	0	111.8	V218 C222 M280 Q281 Y282 K288	V218-C284 HydrophobicContact CG1-CB 3.85Å; C222-C284 HydrophobicContact CB-CB 3.83Å; C222-C284 WeakPolarHBondContact CB-SG 3.36Å; C222-C284 WeakPolarHBondContact SG-CA 3.39Å; C222-C284 WeakPolarHBondContact SG-CB 3.44Å; C222-C284 PolarHBondContact SG-O 3.3Å; C222-C284 VanDerWaalsContact SG-O 3.4Å; C222-C284 CovalentContact SG-SG 2.03Å; C222-C284 PolarHBondContact SG-SG 2.96Å; M280-C284 WeakPolarHBondContact O-CB 3.44Å; M280-C284 PolarHBondContact O-N 3.14Å; Q281-C284 PolarHBondContact O-N 3.11Å; Y282-C284 PolarHBondContact O-N 3.5Å; C284-K288 WeakPolarHBondContact O-CG 3.37Å; C284-K288 PolarHBondContact O-N 3.07Å; C284-K288 VanDerWaalsContact O-N 3.13Å
285	K	96.7	Very high	97.7	Very high	54 Å²	54	39.2 Å²	39.2	24%	0.235	18%	0.181	C	C	.	.	H	α-helix	trans	-65.4	-50.8	-176.7	-172.5	64.9	175.7	70.7	0	112.4	Y200 Q281 Y282 Y287 K288 D289	Y200-K285 HydrophobicContact CD1-CG 4.3Å; Y200-K285 HydrophobicContact CD2-CB 4.05Å; Y200-K285 HydrophobicContact CD2-CG 3.85Å; Y200-K285 HydrophobicContact CE1-CG 4.21Å; Y200-K285 HydrophobicContact CE2-CB 3.83Å; Y200-K285 HydrophobicContact CE2-CG 3.8Å; Y200-K285 HydrophobicContact CG-CG 4.13Å; Q281-K285 WeakPolarHBondContact O-CB 3.31Å; Q281-K285 PolarHBondContact O-N 3.01Å; Y282-K285 PolarHBondContact O-N 3.5Å; K285-Y287 VanDerWaalsContact C-N 3.32Å; K285-Y287 PolarHBondContact O-N 3.24Å; K285-K288 PolarHBondContact O-N 3.29Å; K285-D289 IonicContact NZ-OD1 2.77Å; K285-D289 PolarHBondContact NZ-OD1 2.92Å; K285-D289 IonicContact NZ-OD2 2.92Å; K285-D289 PolarHBondContact NZ-OD2 3.26Å; K285-D289 PolarHBondContact O-N 3.24Å
286	E	97.1	Very high	97.6	Very high	31 Å²	31	46.7 Å²	46.7	15%	0.145	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-32.7	-178.2	-67.1	-65.7	141.2	0	0	112.3	Y200 Y282 D289 R290 N291 A294	Y200-E286 PolarHBondContact OH-OE1 2.88Å; Y282-E286 HydrophobicContact CD1-CG 4.26Å; Y282-E286 HydrophobicContact CD2-CG 3.79Å; Y282-E286 HydrophobicContact CE1-CG 4Å; Y282-E286 HydrophobicContact CE2-CG 3.51Å; Y282-E286 HydrophobicContact CG-CG 4.17Å; Y282-E286 VanDerWaalsContact O-CB 3.31Å; Y282-E286 WeakPolarHBondContact O-CB 3.5Å; Y282-E286 VanDerWaalsContact O-CG 3.27Å; Y282-E286 WeakPolarHBondContact O-CG 3.25Å; Y282-E286 PolarHBondContact O-N 3.31Å; E286-D289 PolarHBondContact O-N 2.91Å; E286-R290 PolarHBondContact O-N 3.23Å; E286-R290 VanDerWaalsContact O-N 3.15Å; E286-N291 HydrophobicContact CB-CB 3.97Å; E286-N291 WeakPolarHBondContact O-CB 3.45Å; E286-N291 PolarHBondContact O-N 3.37Å; E286-N291 WeakPolarHBondContact OE2-CB 3.35Å; E286-N291 PolarHBondContact OE2-ND2 3.23Å; E286-A294 HydrophobicContact CB-CB 3.6Å
287	Y	97.4	Very high	97.5	Very high	56 Å²	56	46.9 Å²	46.9	22%	0.22	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-45.5	172.2	-176.3	-90.9	0	0	0	111.7	I225 L283 K285 D289 R290 Q295 V298 E299	I225-Y287 HydrophobicContact CD1-CD1 3.62Å; I225-Y287 HydrophobicContact CD1-CD2 4.43Å; I225-Y287 HydrophobicContact CD1-CE1 4.16Å; I225-Y287 HydrophobicContact CD1-CG 3.77Å; I225-Y287 HydrophobicContact CG1-CD1 4.46Å; I225-Y287 HydrophobicContact CG2-CD1 4.27Å; I225-Y287 HydrophobicContact CG2-CE1 3.64Å; L283-Y287 WeakPolarHBondContact O-CB 3.39Å; L283-Y287 PolarHBondContact O-N 3.14Å; L283-Y287 VanDerWaalsContact O-N 3.07Å; K285-Y287 VanDerWaalsContact C-N 3.32Å; K285-Y287 PolarHBondContact O-N 3.24Å; Y287-D289 VanDerWaalsContact C-N 3.32Å; Y287-D289 PolarHBondContact O-N 3.47Å; Y287-R290 PolarHBondContact O-N 3.29Å; Y287-Q295 HydrophobicContact CD2-CB 4.45Å; Y287-Q295 HydrophobicContact CD2-CG 4Å; Y287-Q295 HydrophobicContact CE2-CB 4.48Å; Y287-Q295 HydrophobicContact CE2-CG 4.17Å; Y287-V298 HydrophobicContact CD2-CB 3.72Å; Y287-V298 HydrophobicContact CD2-CG1 3.85Å; Y287-V298 HydrophobicContact CD2-CG2 4.03Å; Y287-V298 HydrophobicContact CE2-CB 3.93Å; Y287-V298 HydrophobicContact CE2-CG1 3.8Å; Y287-E299 HydrophobicContact CE2-CG 4.16Å
288	K	96.3	Very high	97.5	Very high	101 Å²	101	46.9 Å²	46.9	44%	0.439	21%	0.21	S	C	.	.	H	α-helix	trans	-62.8	-37.7	176	-75.7	174.9	60.1	179.4	0	112.6	E221 C222 C284 K285 R290	E221-K288 VanDerWaalsContact CD-NZ 3.32Å; E221-K288 HydrophobicContact CG-CD 4.02Å; E221-K288 IonicContact OE1-NZ 2.61Å; E221-K288 PolarHBondContact OE1-NZ 2.81Å; C222-K288 WeakPolarHBondContact SG-CD 3.38Å; C284-K288 WeakPolarHBondContact O-CG 3.37Å; C284-K288 PolarHBondContact O-N 3.07Å; C284-K288 VanDerWaalsContact O-N 3.13Å; K285-K288 PolarHBondContact O-N 3.29Å; K288-R290 PolarHBondContact O-N 3Å
289	D	96.8	Very high	97.3	Very high	93 Å²	93	52 Å²	52	50%	0.497	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-3.6	176	-69.7	1.8	0	0	0	113.1	K285 E286 Y287	K285-D289 IonicContact NZ-OD1 2.77Å; K285-D289 PolarHBondContact NZ-OD1 2.92Å; K285-D289 IonicContact NZ-OD2 2.92Å; K285-D289 PolarHBondContact NZ-OD2 3.26Å; K285-D289 PolarHBondContact O-N 3.24Å; E286-D289 PolarHBondContact O-N 2.91Å; Y287-D289 VanDerWaalsContact C-N 3.32Å; Y287-D289 PolarHBondContact O-N 3.47Å
290	R	97	Very high	97.2	Very high	189 Å²	189	52.9 Å²	52.9	71%	0.713	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	38.5	179.3	-49.7	-179.2	-179.6	-164.6	-2.2	114	E286 Y287 K288 P292	E286-R290 PolarHBondContact O-N 3.23Å; E286-R290 VanDerWaalsContact O-N 3.15Å; Y287-R290 PolarHBondContact O-N 3.29Å; K288-R290 PolarHBondContact O-N 3Å; R290-P292 VanDerWaalsContact O-CD 3.27Å; R290-P292 WeakPolarHBondContact O-CD 3.43Å
291	N	97.4	Very high	97.1	Very high	42 Å²	42	52.8 Å²	52.8	23%	0.225	24%	0.243	C	C	.	.			trans	-62.5	119	169.6	-178.9	-36.7	0	0	0	109.7	E286 R293 A294 Q295	E286-N291 HydrophobicContact CB-CB 3.97Å; E286-N291 WeakPolarHBondContact O-CB 3.45Å; E286-N291 PolarHBondContact O-N 3.37Å; E286-N291 WeakPolarHBondContact OE2-CB 3.35Å; E286-N291 PolarHBondContact OE2-ND2 3.23Å; N291-R293 PolarHBondContact O-N 2.96Å; N291-R293 VanDerWaalsContact O-N 3.09Å; N291-R293 WeakPolarHBondContact OD1-CB 3.45Å; N291-R293 PolarHBondContact OD1-N 3.04Å; N291-A294 HydrophobicContact CB-CB 4.04Å; N291-A294 PolarHBondContact O-N 3.07Å; N291-A294 VanDerWaalsContact O-N 3.14Å; N291-Q295 WeakPolarHBondContact O-CG 3.41Å; N291-Q295 PolarHBondContact O-N 3.46Å
292	P	97.3	Very high	97.1	Very high	92 Å²	92	52 Å²	52	60%	0.597	24%	0.239	S	C	*	.	H	α-helix	trans	-65.2	-15	-175.4	-23.6	34.8	0	0	0	115.2	R290 R296	R290-P292 VanDerWaalsContact O-CD 3.27Å; R290-P292 WeakPolarHBondContact O-CD 3.43Å; P292-R296 WeakPolarHBondContact O-CG 3Å; P292-R296 PolarHBondContact O-NE 3.47Å
293	R	96.6	Very high	97.2	Very high	53 Å²	53	50.9 Å²	50.9	20%	0.2	24%	0.235	C	C	.	.	H	α-helix	trans	-81.4	-49.5	171.1	-166.1	-178.1	-170.6	-170.4	3.2	110.4	N291 Q295 R296 L297 E611 T615 E618	N291-R293 PolarHBondContact O-N 2.96Å; N291-R293 VanDerWaalsContact O-N 3.09Å; N291-R293 WeakPolarHBondContact OD1-CB 3.45Å; N291-R293 PolarHBondContact OD1-N 3.04Å; R293-Q295 PolarHBondContact O-N 2.88Å; R293-R296 PolarHBondContact O-N 3Å; R293-L297 HydrophobicContact CG-CD1 4.47Å; R293-L297 WeakPolarHBondContact O-CG 3.44Å; R293-L297 PolarHBondContact O-N 3.02Å; R293-E611 IonicContact CZ-OE2 2.91Å; R293-E611 IonicContact NH1-OE2 3.97Å; R293-E611 PolarHBondContact NH1-OE2 3.06Å; R293-T615 PolarHBondContact NH2-OG1 2.85Å; R293-T615 VanDerWaalsContact NH2-OG1 3.1Å; R293-E618 IonicContact CZ-OE1 2.78Å; R293-E618 IonicContact CZ-OE2 3.15Å; R293-E618 IonicContact NE-OE1 3.64Å; R293-E618 PolarHBondContact NE-OE1 3.43Å; R293-E618 IonicContact NE-OE2 3.21Å; R293-E618 IonicContact NH2-OE1 3.57Å; R293-E618 PolarHBondContact NH2-OE1 3.48Å; R293-E618 IonicContact NH2-OE2 2.62Å; R293-E618 PolarHBondContact NH2-OE2 3.13Å
294	A	97.3	Very high	97.2	Very high	3 Å²	3	50.9 Å²	50.9	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-42.5	177.8	0	0	0	0	0	112.1	E286 N291 R296 L297 V298	E286-A294 HydrophobicContact CB-CB 3.6Å; N291-A294 HydrophobicContact CB-CB 4.04Å; N291-A294 PolarHBondContact O-N 3.07Å; N291-A294 VanDerWaalsContact O-N 3.14Å; A294-R296 PolarHBondContact O-N 3.07Å; A294-L297 PolarHBondContact O-N 3.4Å; A294-V298 WeakPolarHBondContact O-CG2 3.48Å; A294-V298 PolarHBondContact O-N 2.97Å
295	Q	97.1	Very high	97.2	Very high	55 Å²	55	50.9 Å²	50.9	26%	0.257	23%	0.234	S	C	.	.	H	α-helix	trans	-59.1	-47	174.6	-68.8	-164.2	-79.5	0	0	112.2	Y287 N291 R293 L297 V298 E299	Y287-Q295 HydrophobicContact CD2-CB 4.45Å; Y287-Q295 HydrophobicContact CD2-CG 4Å; Y287-Q295 HydrophobicContact CE2-CB 4.48Å; Y287-Q295 HydrophobicContact CE2-CG 4.17Å; N291-Q295 WeakPolarHBondContact O-CG 3.41Å; N291-Q295 PolarHBondContact O-N 3.46Å; R293-Q295 PolarHBondContact O-N 2.88Å; Q295-L297 VanDerWaalsContact C-N 3.29Å; Q295-L297 PolarHBondContact O-N 3.35Å; Q295-V298 PolarHBondContact O-N 3.28Å; Q295-E299 PolarHBondContact NE2-OE1 2.81Å; Q295-E299 VanDerWaalsContact O-CB 3.22Å; Q295-E299 WeakPolarHBondContact O-CB 3.23Å; Q295-E299 VanDerWaalsContact O-CG 3.29Å; Q295-E299 WeakPolarHBondContact O-CG 3.45Å; Q295-E299 PolarHBondContact O-N 2.88Å
296	R	96	Very high	97.3	Very high	158 Å²	158	48.3 Å²	48.3	60%	0.596	22%	0.223	S	C	*	.	H	α-helix	trans	-65.1	-29.5	178	-75.8	-177.7	-64.4	142.3	5.1	113.9	P292 R293 A294 G300	P292-R296 WeakPolarHBondContact O-CG 3Å; P292-R296 PolarHBondContact O-NE 3.47Å; R293-R296 PolarHBondContact O-N 3Å; A294-R296 PolarHBondContact O-N 3.07Å; R296-G300 WeakPolarHBondContact O-CA 3.33Å; R296-G300 PolarHBondContact O-N 3.32Å
297	L	97.3	Very high	97.4	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-71	-52.9	173.7	-73.4	169.6	0	0	0	110.8	L283 R293 A294 Q295 G300 I301 L614 M617 E618	L283-L297 HydrophobicContact CD2-CD1 4.45Å; R293-L297 HydrophobicContact CG-CD1 4.47Å; R293-L297 WeakPolarHBondContact O-CG 3.44Å; R293-L297 PolarHBondContact O-N 3.02Å; A294-L297 PolarHBondContact O-N 3.4Å; Q295-L297 VanDerWaalsContact C-N 3.29Å; Q295-L297 PolarHBondContact O-N 3.35Å; L297-G300 PolarHBondContact O-N 3Å; L297-I301 HydrophobicContact CD2-CD1 3.68Å; L297-I301 WeakPolarHBondContact O-CB 3.29Å; L297-I301 PolarHBondContact O-N 2.87Å; L297-L614 HydrophobicContact CD1-CD2 3.84Å; L297-M617 HydrophobicContact CD1-CE 4.28Å; L297-M617 HydrophobicContact CD2-CB 4.04Å; L297-E618 HydrophobicContact CD2-CG 3.84Å
298	V	97.8	Very high	97.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.9	-39.7	-176.7	175.9	0	0	0	0	112.1	I225 I245 S246 G247 Y287 A294 Q295 G300	I225-V298 HydrophobicContact CB-CG1 4.04Å; I225-V298 HydrophobicContact CD1-CG1 4.07Å; I225-V298 HydrophobicContact CG2-CG1 4.1Å; I245-V298 HydrophobicContact CG2-CG1 4.2Å; I245-V298 HydrophobicContact CG2-CG2 3.88Å; S246-V298 CarbonylContact C-O 3.52Å; S246-V298 VanDerWaalsContact CA-O 3.31Å; S246-V298 WeakPolarHBondContact CA-O 3.4Å; G247-V298 PolarHBondContact N-O 3.19Å; Y287-V298 HydrophobicContact CD2-CB 3.72Å; Y287-V298 HydrophobicContact CD2-CG1 3.85Å; Y287-V298 HydrophobicContact CD2-CG2 4.03Å; Y287-V298 HydrophobicContact CE2-CB 3.93Å; Y287-V298 HydrophobicContact CE2-CG1 3.8Å; A294-V298 WeakPolarHBondContact O-CG2 3.48Å; A294-V298 PolarHBondContact O-N 2.97Å; Q295-V298 PolarHBondContact O-N 3.28Å; V298-G300 VanDerWaalsContact C-N 3.3Å
299	E	95.8	Very high	97.5	Very high	111 Å²	111	39.4 Å²	39.4	52%	0.519	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-10.8	177	-62.8	170.1	-164.9	0	0	113.1	Y287 Q295	Y287-E299 HydrophobicContact CE2-CG 4.16Å; Q295-E299 PolarHBondContact NE2-OE1 2.81Å; Q295-E299 VanDerWaalsContact O-CB 3.22Å; Q295-E299 WeakPolarHBondContact O-CB 3.23Å; Q295-E299 VanDerWaalsContact O-CG 3.29Å; Q295-E299 WeakPolarHBondContact O-CG 3.45Å; Q295-E299 PolarHBondContact O-N 2.88Å
300	G	95.7	Very high	97.6	Very high	20 Å²	20	35 Å²	35	21%	0.206	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-24.3	-174	0	0	0	0	0	114.9	P257 R296 L297 V298 H621	P257-G300 WeakPolarHBondContact CD-O 3.11Å; R296-G300 WeakPolarHBondContact O-CA 3.33Å; R296-G300 PolarHBondContact O-N 3.32Å; L297-G300 PolarHBondContact O-N 3Å; V298-G300 VanDerWaalsContact C-N 3.3Å; G300-H621 PolarHBondContact O-CE1 3.27Å
301	I	97.4	Very high	97.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.			trans	-135.6	137.6	-169.4	-51.9	171.6	0	0	0	109.3	E256 F259 L297 I303 M617 V620 H621	E256-I301 VanDerWaalsContact OE1-C 3.28Å; F259-I301 HydrophobicContact CB-CG2 3.43Å; F259-I301 VanDerWaalsContact CB-CG2 3.43Å; F259-I301 HydrophobicContact CG-CG2 4.35Å; L297-I301 HydrophobicContact CD2-CD1 3.68Å; L297-I301 WeakPolarHBondContact O-CB 3.29Å; L297-I301 PolarHBondContact O-N 2.87Å; I301-I303 HydrophobicContact CB-CG1 3.94Å; I301-I303 HydrophobicContact CG2-CG1 3.76Å; I301-I303 PolarHBondContact O-N 3.48Å; I301-M617 HydrophobicContact CD1-CB 4.32Å; I301-V620 HydrophobicContact CD1-CG1 3.64Å; I301-V620 HydrophobicContact CG1-CG1 3.78Å; I301-V620 HydrophobicContact CG2-CG1 4.1Å; I301-H621 VanDerWaalsContact CG1-NE2 3.35Å; I301-H621 WeakPolarHBondContact CG1-NE2 3.42Å
302	R	98.3	Very high	97.7	Very high	5 Å²	5	24.1 Å²	24.1	2%	0.019	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	96	168.2	-158.3	151	-179.8	-89.2	-7.5	109.7	I244 P249 E251 E256 P257 E258 F259	I244-R302 HydrophobicContact CG2-CG 3.95Å; P249-R302 PolarHBondContact O-NH2 3.21Å; E251-R302 PolarHBondContact O-NE 2.89Å; E256-R302 HydrophobicContact CG-CB 4.23Å; E256-R302 PolarHBondContact OE1-N 2.89Å; E256-R302 WeakPolarHBondContact OE2-CD 3.29Å; P257-R302 PolarHBondContact O-N 3.27Å; E258-R302 WeakPolarHBondContact OE1-CD 3.47Å; E258-R302 IonicContact OE1-CZ 3.09Å; E258-R302 IonicContact OE1-NH1 3.24Å; E258-R302 PolarHBondContact OE1-NH1 3.21Å; E258-R302 VanDerWaalsContact OE2-CB 3.3Å; E258-R302 WeakPolarHBondContact OE2-CB 3.49Å; E258-R302 VanDerWaalsContact OE2-CG 3.26Å; E258-R302 WeakPolarHBondContact OE2-CG 3.34Å; E258-R302 IonicContact OE2-NH1 2.84Å; E258-R302 PolarHBondContact OE2-NH1 3.26Å; F259-R302 PolarHBondContact N-O 3.17Å
303	I	98.8	Very high	97.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	113.2	-169.4	-52.2	170.4	0	0	0	109.4	I244 I245 F259 L283 I301 L305 M617	I244-I303 CarbonylContact C-O 2.97Å; I244-I303 VanDerWaalsContact CA-O 3.31Å; I244-I303 WeakPolarHBondContact CA-O 3.39Å; I245-I303 HydrophobicContact CB-CB 4.46Å; I245-I303 PolarHBondContact N-O 2.89Å; I245-I303 WeakPolarHBondContact O-CB 3.18Å; I245-I303 PolarHBondContact O-N 3.47Å; F259-I303 HydrophobicContact CD1-CG2 4.08Å; L283-I303 HydrophobicContact CD1-CD1 4.03Å; I301-I303 HydrophobicContact CB-CG1 3.94Å; I301-I303 HydrophobicContact CG2-CG1 3.76Å; I301-I303 PolarHBondContact O-N 3.48Å; I303-L305 HydrophobicContact CG2-CD1 4.42Å; I303-L305 HydrophobicContact CG2-CD2 3.7Å; I303-L305 HydrophobicContact CG2-CG 3.87Å; I303-M617 HydrophobicContact CD1-SD 3.97Å; I303-M617 HydrophobicContact CG1-SD 4.4Å; I303-M617 HydrophobicContact CG2-SD 3.98Å
304	H	98.8	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121.5	171.7	-71.1	-115.5	0	0	0	110.9	Y229 I244 E258 F259 R260 F261 W390 Y394 F396	Y229-H304 AromaticContact CE1-ND1 3.95Å; Y229-H304 AromaticContact CZ-ND1 3.6Å; Y229-H304 PolarHBondContact OH-ND1 2.75Å; I244-H304 VanDerWaalsContact CD1-CE1 3.48Å; I244-H304 WeakPolarHBondContact CD1-CE1 3.42Å; E258-H304 IonicContact OE2-CD2 2.68Å; E258-H304 PolarHBondContact OE2-CD2 2.93Å; E258-H304 IonicContact OE2-NE2 3.37Å; E258-H304 PolarHBondContact OE2-NE2 3.28Å; F259-H304 WeakPolarHBondContact O-CB 3.01Å; F259-H304 PolarHBondContact O-N 3Å; R260-H304 CarbonylContact C-O 3.6Å; R260-H304 VanDerWaalsContact CA-O 3.26Å; R260-H304 WeakPolarHBondContact CA-O 3.22Å; R260-H304 HydrophobicContact CB-CB 4.25Å; F261-H304 PolarHBondContact N-O 3.44Å; H304-W390 HydrophobicContact CB-CZ2 4.02Å; H304-W390 AromaticContact ND1-NE1 3.89Å; H304-Y394 AromaticContact CE1-CD1 3.76Å; H304-Y394 AromaticContact CE1-CD2 3.98Å; H304-Y394 AromaticContact CE1-CE1 3.68Å; H304-Y394 AromaticContact CE1-CE2 3.88Å; H304-Y394 AromaticContact CE1-CG 3.93Å; H304-Y394 AromaticContact CE1-CZ 3.73Å; H304-Y394 AromaticContact NE2-CD1 3.95Å; H304-F396 HydrophobicContact CB-CE1 3.92Å; H304-F396 HydrophobicContact CB-CZ 4.21Å; H304-F396 AromaticContact CD2-CE1 3.81Å; H304-F396 AromaticContact CG-CE1 3.73Å; H304-F396 AromaticContact CG-CZ 3.93Å
305	L	98.9	Very high	97.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.9	-177.5	-63.8	-177.1	0	0	0	110.5	A242 M243 I245 F261 I276 L279 M280 I303	A242-L305 VanDerWaalsContact CA-O 3.29Å; A242-L305 WeakPolarHBondContact CA-O 3.43Å; M243-L305 PolarHBondContact N-O 2.87Å; M243-L305 PolarHBondContact O-N 2.76Å; I245-L305 HydrophobicContact CD1-CD1 3.83Å; I245-L305 HydrophobicContact CG1-CD1 4.34Å; F261-L305 HydrophobicContact CB-CD2 3.88Å; F261-L305 HydrophobicContact CD2-CD2 3.94Å; F261-L305 HydrophobicContact CG-CD2 4.42Å; I276-L305 HydrophobicContact CG2-CB 3.99Å; L279-L305 HydrophobicContact CD2-CD1 4.27Å; L279-L305 HydrophobicContact CD2-CD2 3.94Å; L279-L305 HydrophobicContact CG-CD1 4.38Å; M280-L305 HydrophobicContact CE-CB 3.64Å; M280-L305 HydrophobicContact CG-CB 4.47Å; M280-L305 HydrophobicContact CG-CD1 3.66Å; I303-L305 HydrophobicContact CG2-CD1 4.42Å; I303-L305 HydrophobicContact CG2-CD2 3.7Å; I303-L305 HydrophobicContact CG2-CG 3.87Å
306	V	98.8	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	95.7	-177.6	-163	0	0	0	0	109.9	L231 I240 A242 F261 T262 A263 I276 S308 L309 W390	L231-V306 HydrophobicContact CD1-CG1 4.47Å; L231-V306 HydrophobicContact CD1-CG2 4.42Å; L231-V306 HydrophobicContact CD2-CG1 4.3Å; L231-V306 HydrophobicContact CD2-CG2 4.46Å; I240-V306 HydrophobicContact CG2-CG1 4.27Å; A242-V306 HydrophobicContact CB-CB 4.45Å; A242-V306 HydrophobicContact CB-CG1 4.38Å; A242-V306 HydrophobicContact CB-CG2 3.84Å; F261-V306 PolarHBondContact O-N 3.15Å; T262-V306 CarbonylContact C-O 3.48Å; T262-V306 WeakPolarHBondContact CA-O 3.24Å; T262-V306 HydrophobicContact CG2-CB 4.11Å; T262-V306 HydrophobicContact CG2-CG2 4.11Å; A263-V306 PolarHBondContact N-O 3.13Å; I276-V306 WeakPolarHBondContact CD1-O 3.43Å; V306-S308 VanDerWaalsContact C-N 3.3Å; V306-S308 PolarHBondContact O-N 2.95Å; V306-L309 HydrophobicContact CB-CD2 4.48Å; V306-L309 HydrophobicContact CG1-CD2 3.63Å; V306-L309 HydrophobicContact CG1-CG 4.37Å; V306-W390 HydrophobicContact CG2-CH2 3.55Å; V306-W390 HydrophobicContact CG2-CZ2 3.7Å; V306-W390 HydrophobicContact CG2-CZ3 4.36Å
307	P	98.5	Very high	97.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.058	C	C	.	.	S	Bend	trans	-70.2	-21.7	-173.1	25.7	-34.1	0	0	0	114.1	M211 M215 A263 R273 I276 L277 M280	M211-P307 HydrophobicContact CG-CG 4.2Å; M211-P307 HydrophobicContact SD-CB 4.21Å; M211-P307 HydrophobicContact SD-CG 3.74Å; M215-P307 HydrophobicContact SD-CG 4.03Å; A263-P307 CarbonylContact C-O 3.41Å; R273-P307 WeakPolarHBondContact CA-O 3.48Å; R273-P307 VanDerWaalsContact CB-O 3.22Å; R273-P307 WeakPolarHBondContact CB-O 3.37Å; R273-P307 HydrophobicContact CG-CB 4.25Å; R273-P307 WeakPolarHBondContact CG-O 3.42Å; I276-P307 HydrophobicContact CB-CB 4.32Å; I276-P307 HydrophobicContact CG2-CB 3.85Å; I276-P307 HydrophobicContact CG2-CG 4.49Å; L277-P307 HydrophobicContact CD2-CB 4.02Å; L277-P307 HydrophobicContact CD2-CG 4.08Å; L277-P307 HydrophobicContact CG-CB 4.08Å; M280-P307 HydrophobicContact CE-CG 4.22Å
308	S	98.3	Very high	97.5	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.014	7%	0.071	C	C	.	.			trans	-153.6	108.2	-174.7	-168	0	0	0	0	112.4	A263 R273 V306 P311	A263-S308 WeakPolarHBondContact O-CA 3.46Å; R273-S308 PolarHBondContact NH1-OG 2.66Å; R273-S308 VanDerWaalsContact NH1-OG 3.16Å; V306-S308 VanDerWaalsContact C-N 3.3Å; V306-S308 PolarHBondContact O-N 2.95Å; S308-P311 WeakPolarHBondContact OG-CA 3.29Å
309	L	98.4	Very high	97.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-82.6	-30	173.1	-68.9	-179.6	0	0	0	112.9	L231 I240 T262 A263 G264 L265 V306 P311 I387 M574	L231-L309 HydrophobicContact CD2-CD2 4.28Å; I240-L309 HydrophobicContact CG2-CD2 3.93Å; T262-L309 HydrophobicContact CG2-CD1 4.27Å; A263-L309 PolarHBondContact O-N 3.17Å; G264-L309 PolarHBondContact O-N 3.31Å; L265-L309 HydrophobicContact CD2-CB 4.46Å; L265-L309 HydrophobicContact CD2-CD1 3.53Å; L265-L309 HydrophobicContact CG-CD1 4.02Å; V306-L309 HydrophobicContact CB-CD2 4.48Å; V306-L309 HydrophobicContact CG1-CD2 3.63Å; V306-L309 HydrophobicContact CG1-CG 4.37Å; L309-P311 VanDerWaalsContact C-CD 3.44Å; L309-P311 VanDerWaalsContact O-CD 3.31Å; L309-P311 WeakPolarHBondContact O-CD 3.41Å; L309-I387 HydrophobicContact CB-CD1 4.24Å; L309-I387 HydrophobicContact CD1-CD1 3.88Å; L309-I387 HydrophobicContact CD1-CG1 4.4Å; L309-I387 HydrophobicContact CD2-CD1 3.93Å; L309-I387 HydrophobicContact CD2-CG1 3.78Å; L309-I387 HydrophobicContact CG-CD1 4.24Å; L309-M574 HydrophobicContact CD1-CE 4.45Å; L309-M574 HydrophobicContact CD1-SD 4.35Å
310	N	98.3	Very high	97	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.099	C	C	.	.			trans	-115.6	73.9	173.8	-173.7	4.2	0	0	0	110.9	G264 L265 D312 G313 H314 H331 F332 I339	G264-N310 VanDerWaalsContact O-CB 3.3Å; G264-N310 WeakPolarHBondContact O-CB 3.42Å; G264-N310 PolarHBondContact O-N 3.03Å; L265-N310 WeakPolarHBondContact O-CB 3.31Å; N310-D312 PolarHBondContact O-N 3.49Å; N310-G313 PolarHBondContact OD1-N 3.05Å; N310-H314 WeakPolarHBondContact O-CB 3.3Å; N310-H314 PolarHBondContact O-N 3.49Å; N310-H314 VanDerWaalsContact O-N 3.13Å; N310-H331 PolarHBondContact ND2-O 2.98Å; N310-F332 PolarHBondContact ND2-O 2.9Å; N310-I339 HydrophobicContact CB-CD1 3.72Å
311	P	98.1	Very high	96.6	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-66	-25.2	179.4	27.8	-35.4	0	0	0	112.8	Y208 R238 S308 L309 E315	Y208-P311 HydrophobicContact CD2-CB 3.77Å; Y208-P311 HydrophobicContact CE2-CB 4.11Å; R238-P311 HydrophobicContact CB-CB 4.29Å; R238-P311 HydrophobicContact CB-CG 4.02Å; S308-P311 WeakPolarHBondContact OG-CA 3.29Å; L309-P311 VanDerWaalsContact C-CD 3.44Å; L309-P311 VanDerWaalsContact O-CD 3.31Å; L309-P311 WeakPolarHBondContact O-CD 3.41Å; P311-E315 WeakPolarHBondContact O-CG 3.21Å; P311-E315 PolarHBondContact O-N 2.81Å; P311-E315 VanDerWaalsContact O-N 3.15Å
312	D	97.9	Very high	96.1	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-78	-41.4	-178	-67.7	-21.8	0	0	0	112.7	S234 S235 K236 R238 N310 H314 T316	S234-D312 WeakPolarHBondContact CB-OD2 3.28Å; S234-D312 PolarHBondContact OG-OD1 3.1Å; S234-D312 PolarHBondContact OG-OD2 3.31Å; S235-D312 PolarHBondContact N-OD2 3.23Å; K236-D312 WeakPolarHBondContact CB-OD2 3.35Å; K236-D312 HydrophobicContact CD-CB 4.19Å; K236-D312 PolarHBondContact N-OD2 3.35Å; R238-D312 VanDerWaalsContact CD-OD1 3.28Å; R238-D312 WeakPolarHBondContact CD-OD1 3.42Å; R238-D312 IonicContact CZ-OD1 3.06Å; R238-D312 IonicContact NE-OD1 3.38Å; R238-D312 IonicContact NH1-OD1 2.94Å; R238-D312 PolarHBondContact NH1-OD1 2.93Å; N310-D312 PolarHBondContact O-N 3.49Å; D312-H314 VanDerWaalsContact C-N 3.31Å; D312-T316 PolarHBondContact O-N 3.22Å; D312-T316 PolarHBondContact O-OG1 3.29Å
313	G	97.1	Very high	95.4	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.021	11%	0.112	C	C	.	.	H	α-helix	trans	-64.3	-37.7	169.7	0	0	0	0	0	111.6	N310 T316 A317 G330	N310-G313 PolarHBondContact OD1-N 3.05Å; G313-T316 WeakPolarHBondContact O-CB 3.38Å; G313-T316 PolarHBondContact O-N 2.95Å; G313-A317 PolarHBondContact O-N 3.39Å; G313-A317 VanDerWaalsContact O-N 3.09Å; G313-G330 CarbonylContact C-O 3.49Å; G313-G330 VanDerWaalsContact CA-O 3.31Å; G313-G330 WeakPolarHBondContact CA-O 3.42Å; G313-G330 WeakPolarHBondContact O-CA 3.46Å
314	H	97.1	Very high	95	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.009	13%	0.125	C	C	.	.	H	α-helix	trans	-62.8	-47.5	178.9	180	71.5	0	0	0	112.2	H206 G267 R273 N310 D312 T316 A317 F318	H206-H314 PolarHBondContact O-NE2 3Å; G267-H314 WeakPolarHBondContact O-CA 3.45Å; G267-H314 PolarHBondContact O-ND1 2.72Å; R273-H314 VanDerWaalsContact CD-CE1 3.41Å; R273-H314 WeakPolarHBondContact CD-CE1 3.47Å; R273-H314 PolarHBondContact NE-NE2 3.35Å; R273-H314 VanDerWaalsContact NE-NE2 3.19Å; R273-H314 PolarHBondContact NH1-CD2 3.23Å; N310-H314 WeakPolarHBondContact O-CB 3.3Å; N310-H314 PolarHBondContact O-N 3.49Å; N310-H314 VanDerWaalsContact O-N 3.13Å; D312-H314 VanDerWaalsContact C-N 3.31Å; H314-T316 PolarHBondContact O-N 3.39Å; H314-A317 PolarHBondContact O-N 2.96Å; H314-A317 VanDerWaalsContact O-N 3.11Å; H314-F318 VanDerWaalsContact O-CB 3.3Å; H314-F318 WeakPolarHBondContact O-CB 3.14Å; H314-F318 PolarHBondContact O-N 2.63Å
315	E	97.1	Very high	94.4	Very high	24 Å²	24	23.6 Å²	23.6	11%	0.112	13%	0.127	C	C	.	.	H	α-helix	trans	-60.8	-37	177.8	-61.9	-102.1	97.6	0	0	111.2	Y208 R238 P311 A317 F318 E319	Y208-E315 VanDerWaalsContact CB-OE1 3.26Å; Y208-E315 WeakPolarHBondContact CB-OE1 3.39Å; Y208-E315 WeakPolarHBondContact CB-OE2 3.46Å; Y208-E315 PolarHBondContact N-OE1 3.11Å; R238-E315 IonicContact CZ-OE2 2.71Å; R238-E315 IonicContact NE-OE2 2.68Å; R238-E315 PolarHBondContact NE-OE2 2.95Å; R238-E315 IonicContact NH2-OE2 3.69Å; R238-E315 PolarHBondContact NH2-OE2 3.33Å; P311-E315 WeakPolarHBondContact O-CG 3.21Å; P311-E315 PolarHBondContact O-N 2.81Å; P311-E315 VanDerWaalsContact O-N 3.15Å; E315-A317 VanDerWaalsContact C-N 3.34Å; E315-A317 PolarHBondContact O-N 3.31Å; E315-F318 PolarHBondContact O-N 2.79Å; E315-E319 WeakPolarHBondContact O-CB 3.46Å; E315-E319 WeakPolarHBondContact O-CG 3.47Å; E315-E319 PolarHBondContact O-N 3.15Å
316	T	95.6	Very high	93.7	Very high	45 Å²	45	24.5 Å²	24.5	28%	0.276	13%	0.133	S	C	.	.	H	α-helix	trans	-62.8	-37.8	175.8	-52.3	0	0	0	0	112.5	D312 G313 H314 M329	D312-T316 PolarHBondContact O-N 3.22Å; D312-T316 PolarHBondContact O-OG1 3.29Å; G313-T316 WeakPolarHBondContact O-CB 3.38Å; G313-T316 PolarHBondContact O-N 2.95Å; H314-T316 PolarHBondContact O-N 3.39Å; T316-M329 HydrophobicContact CG2-SD 4.02Å
317	A	95.3	Very high	93.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-76.9	-39.7	174.4	0	0	0	0	0	112.1	N268 G313 H314 E315 V320 G321 F596	N268-A317 HydrophobicContact CB-CB 3.75Å; G313-A317 PolarHBondContact O-N 3.39Å; G313-A317 VanDerWaalsContact O-N 3.09Å; H314-A317 PolarHBondContact O-N 2.96Å; H314-A317 VanDerWaalsContact O-N 3.11Å; E315-A317 VanDerWaalsContact C-N 3.34Å; E315-A317 PolarHBondContact O-N 3.31Å; A317-V320 PolarHBondContact O-N 3.01Å; A317-G321 PolarHBondContact O-N 2.86Å; A317-F596 HydrophobicContact CB-CD2 3.88Å; A317-F596 HydrophobicContact CB-CE2 3.73Å
318	F	95.3	Very high	92.9	Very high	66 Å²	66	30.3 Å²	30.3	29%	0.289	16%	0.164	S	C	.	.	H	α-helix	trans	-63.5	-40.3	179.8	-178.7	-86.6	0	0	0	112.5	H205 H314 E315 V320 G321 F596	H205-F318 HydrophobicContact CB-CD2 4.21Å; H205-F318 HydrophobicContact CB-CE2 3.9Å; H314-F318 VanDerWaalsContact O-CB 3.3Å; H314-F318 WeakPolarHBondContact O-CB 3.14Å; H314-F318 PolarHBondContact O-N 2.63Å; E315-F318 PolarHBondContact O-N 2.79Å; F318-V320 PolarHBondContact O-N 3.19Å; F318-G321 PolarHBondContact O-N 3.46Å; F318-F596 HydrophobicContact CB-CZ 4.3Å; F318-F596 HydrophobicContact CD2-CZ 4.27Å
319	E	94.1	Very high	92.6	Very high	157 Å²	157	33.8 Å²	33.8	73%	0.734	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.6	175.8	-78.1	176.4	-163.6	0	0	113.2	E315	E315-E319 WeakPolarHBondContact O-CB 3.46Å; E315-E319 WeakPolarHBondContact O-CG 3.47Å; E315-E319 PolarHBondContact O-N 3.15Å
320	V	90.4	Very high	92.4	Very high	62 Å²	62	34.3 Å²	34.3	38%	0.376	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-34.9	176.8	175.9	0	0	0	0	111.6	A317 F318 M324 M329	A317-V320 PolarHBondContact O-N 3.01Å; F318-V320 PolarHBondContact O-N 3.19Å; V320-M324 VanDerWaalsContact CG1-C 3.47Å; V320-M324 HydrophobicContact CG1-CB 3.6Å; V320-M324 WeakPolarHBondContact CG1-O 3.46Å; V320-M329 HydrophobicContact CG2-CG 4.26Å
321	G	87.1	Confident	92.3	Very high	23 Å²	23	35.6 Å²	35.6	24%	0.237	19%	0.192	C	C	.	.			trans	90.5	158.6	179.6	0	0	0	0	0	113.9	A317 F318 E323 M324 S325	A317-G321 PolarHBondContact O-N 2.86Å; F318-G321 PolarHBondContact O-N 3.46Å; G321-E323 PolarHBondContact O-N 3.28Å; G321-M324 PolarHBondContact O-N 3.18Å; G321-S325 PolarHBondContact O-N 3Å
322	S	86	Confident	92.3	Very high	18 Å²	18	39.7 Å²	39.7	13%	0.126	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-49.5	-53.6	-173.4	25.6	0	0	0	0	113.6	M324 F596	S322-M324 VanDerWaalsContact C-N 3.25Å; S322-M324 PolarHBondContact O-N 3.27Å; S322-F596 WeakPolarHBondContact CA-O 3.25Å; S322-F596 WeakPolarHBondContact CB-O 3.1Å
323	E	83.5	Confident	92.2	Very high	29 Å²	29	40 Å²	40	14%	0.136	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-74.8	-11.8	-171.8	-59.9	94.2	138.9	0	0	114.5	P27 M148 L178 G321 H598	P27-E323 HydrophobicContact CG-CG 3.45Å; P27-E323 VanDerWaalsContact CG-CG 3.45Å; M148-E323 HydrophobicContact CE-CB 3.72Å; M148-E323 HydrophobicContact CE-CG 4.43Å; L178-E323 HydrophobicContact CD2-CG 4.36Å; G321-E323 PolarHBondContact O-N 3.28Å; E323-H598 IonicContact OE1-CD2 2.74Å; E323-H598 PolarHBondContact OE1-CD2 2.95Å; E323-H598 IonicContact OE1-CG 3.37Å
324	M	90	Very high	92.1	Very high	57 Å²	57	44.5 Å²	44.5	28%	0.281	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-118.5	-9.5	-174.6	-65.5	-63	-59.9	0	0	112.5	V98 P146 M148 V320 G321 S322 S326	V98-M324 HydrophobicContact CG1-SD 4.42Å; P146-M324 HydrophobicContact CB-CE 4.35Å; P146-M324 HydrophobicContact CB-SD 4.38Å; P146-M324 WeakPolarHBondContact O-CE 3.17Å; M148-M324 HydrophobicContact CB-SD 3.65Å; M148-M324 HydrophobicContact CE-CG 4.18Å; M148-M324 HydrophobicContact CE-SD 4.06Å; V320-M324 VanDerWaalsContact CG1-C 3.47Å; V320-M324 HydrophobicContact CG1-CB 3.6Å; V320-M324 WeakPolarHBondContact CG1-O 3.46Å; G321-M324 PolarHBondContact O-N 3.18Å; S322-M324 VanDerWaalsContact C-N 3.25Å; S322-M324 PolarHBondContact O-N 3.27Å; M324-S326 PolarHBondContact O-N 2.89Å
325	S	85.9	Confident	91.9	Very high	6 Å²	6	49 Å²	49	4%	0.042	26%	0.257	C	S	.	.			trans	-66.3	118.7	174.5	-177.2	0	0	0	0	109.8	N58 G321	N58-S325 PolarHBondContact ND2-O 3.4Å; G321-S325 PolarHBondContact O-N 3Å
326	S	86	Confident	91.8	Very high	19 Å²	19	50.2 Å²	50.2	13%	0.133	28%	0.275	C	S	.	.			trans	-74.8	161.4	169.1	75.8	0	0	0	0	110.7	M324 T328 M329	M324-S326 PolarHBondContact O-N 2.89Å; S326-T328 PolarHBondContact O-N 2.95Å; S326-M329 PolarHBondContact O-N 3.26Å; S326-M329 VanDerWaalsContact O-N 3.11Å; S326-M329 PolarHBondContact OG-N 3.2Å
327	W	88.9	Confident	91.8	Very high	45 Å²	45	50.8 Å²	50.8	17%	0.17	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-29.1	-178.6	-171.7	-107.6	0	0	0	116.4	N58 Q60 N268 G405 H551 K595	N58-W327 HydrophobicContact CB-CE3 4.07Å; N58-W327 PolarHBondContact OD1-N 2.93Å; Q60-W327 VanDerWaalsContact CD-CE2 3.42Å; Q60-W327 VanDerWaalsContact CD-NE1 3.32Å; Q60-W327 HydrophobicContact CG-CD2 3.91Å; Q60-W327 HydrophobicContact CG-CE3 4.37Å; Q60-W327 HydrophobicContact CG-CG 4.4Å; Q60-W327 HydrophobicContact CG-CH2 4.07Å; Q60-W327 HydrophobicContact CG-CZ2 3.6Å; Q60-W327 HydrophobicContact CG-CZ3 4.44Å; Q60-W327 VanDerWaalsContact NE2-CG 3.27Å; N268-W327 PolarHBondContact ND2-O 3.28Å; W327-G405 VanDerWaalsContact CH2-CA 3.4Å; W327-H551 AromaticContact CH2-CE1 3.75Å; W327-H551 AromaticContact CH2-NE2 3.1Å; W327-H551 WeakPolarHBondContact CH2-NE2 3.4Å; W327-H551 AromaticContact CZ2-NE2 3.69Å; W327-H551 AromaticContact CZ3-NE2 3.83Å; W327-K595 HydrophobicContact CD2-CD 4.23Å; W327-K595 HydrophobicContact CE3-CD 3.95Å; W327-K595 HydrophobicContact CE3-CG 4.23Å; W327-K595 HydrophobicContact CH2-CD 4.42Å; W327-K595 HydrophobicContact CH2-CG 4.43Å; W327-K595 VanDerWaalsContact CZ2-CE 3.48Å; W327-K595 HydrophobicContact CZ3-CD 4.06Å; W327-K595 HydrophobicContact CZ3-CG 3.95Å
328	T	91.4	Very high	91.9	Very high	77 Å²	77	51.8 Å²	51.8	47%	0.472	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-10.1	-177	55.3	0	0	0	0	114.4	S326 G330 H331	S326-T328 PolarHBondContact O-N 2.95Å; T328-G330 PolarHBondContact O-N 2.96Å; T328-H331 VanDerWaalsContact O-CB 3.26Å; T328-H331 WeakPolarHBondContact O-CB 3.45Å; T328-H331 PolarHBondContact O-N 2.86Å; T328-H331 VanDerWaalsContact O-N 3.07Å
329	M	92.3	Very high	91.9	Very high	75 Å²	75	48.7 Å²	48.7	37%	0.369	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	120.9	178.3	-176.2	62.6	66.3	0	0	109.6	N268 T316 V320 S326 H331	N268-M329 WeakPolarHBondContact CB-O 3.27Å; N268-M329 PolarHBondContact ND2-O 3.35Å; T316-M329 HydrophobicContact CG2-SD 4.02Å; V320-M329 HydrophobicContact CG2-CG 4.26Å; S326-M329 PolarHBondContact O-N 3.26Å; S326-M329 VanDerWaalsContact O-N 3.11Å; S326-M329 PolarHBondContact OG-N 3.2Å; M329-H331 PolarHBondContact O-N 3.03Å
330	G	94	Very high	92.1	Very high	10 Å²	10	41.3 Å²	41.3	10%	0.103	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	9.4	-177.9	0	0	0	0	0	116	G267 N268 G313 T328	G267-G330 WeakPolarHBondContact CA-O 3.41Å; G267-G330 PolarHBondContact N-O 2.85Å; N268-G330 PolarHBondContact N-O 3.24Å; G313-G330 CarbonylContact C-O 3.49Å; G313-G330 VanDerWaalsContact CA-O 3.31Å; G313-G330 WeakPolarHBondContact CA-O 3.42Å; G313-G330 WeakPolarHBondContact O-CA 3.46Å; T328-G330 PolarHBondContact O-N 2.96Å
331	H	95.6	Very high	92.3	Very high	28 Å²	28	43 Å²	43	13%	0.13	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-49.6	178.3	-180	88.1	0	0	0	112.2	H266 N268 E269 N310 T328 M329 K595	H266-H331 VanDerWaalsContact CA-O 3.28Å; H266-H331 WeakPolarHBondContact CA-O 3.46Å; H266-H331 WeakPolarHBondContact CB-CE1 3.4Å; H266-H331 WeakPolarHBondContact CB-ND1 3.41Å; H266-H331 AromaticContact CD2-CE1 3.95Å; H266-H331 AromaticContact CD2-ND1 3.73Å; H266-H331 AromaticContact CD2-NE2 3.15Å; H266-H331 PolarHBondContact CD2-NE2 2.83Å; H266-H331 AromaticContact CE1-NE2 2.93Å; H266-H331 PolarHBondContact CE1-NE2 2.95Å; H266-H331 AromaticContact CG-CE1 3.25Å; H266-H331 AromaticContact CG-ND1 3.37Å; H266-H331 AromaticContact CG-NE2 2.97Å; H266-H331 AromaticContact ND1-CE1 3.74Å; H266-H331 AromaticContact ND1-ND1 3.93Å; H266-H331 AromaticContact ND1-NE2 2.83Å; H266-H331 PolarHBondContact ND1-NE2 2.94Å; H266-H331 AromaticContact NE2-NE2 3.15Å; H266-H331 PolarHBondContact NE2-NE2 2.86Å; H266-H331 VanDerWaalsContact NE2-NE2 3.15Å; N268-H331 WeakPolarHBondContact OD1-CA 3.45Å; N268-H331 PolarHBondContact OD1-CE1 3.13Å; E269-H331 IonicContact OE1-CE1 3.28Å; E269-H331 PolarHBondContact OE1-CE1 3.19Å; E269-H331 IonicContact OE1-ND1 3.97Å; E269-H331 IonicContact OE1-NE2 2.7Å; E269-H331 PolarHBondContact OE1-NE2 3.25Å; N310-H331 PolarHBondContact ND2-O 2.98Å; T328-H331 VanDerWaalsContact O-CB 3.26Å; T328-H331 WeakPolarHBondContact O-CB 3.45Å; T328-H331 PolarHBondContact O-N 2.86Å; T328-H331 VanDerWaalsContact O-N 3.07Å; M329-H331 PolarHBondContact O-N 3.03Å; H331-K595 PolarHBondContact CE1-NZ 3.05Å
332	F	96.9	Very high	92.7	Very high	87 Å²	87	42.8 Å²	42.8	38%	0.382	23%	0.229	S	C	.	.	S	Bend	trans	-82.4	167.5	-177.4	-54.7	-79.8	0	0	0	112.6	N310 F337 D338	N310-F332 PolarHBondContact ND2-O 2.9Å; F332-F337 CarbonylContact C-O 3.46Å; F332-F337 WeakPolarHBondContact CA-O 3.41Å; F332-D338 HydrophobicContact CD1-CB 4Å; F332-D338 HydrophobicContact CE1-CB 4.05Å
333	T	96.1	Very high	93.2	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.043	22%	0.224	C	C	.	.			trans	-66.5	169.3	164.7	66.9	0	0	0	0	111	D335 G336 F337 I339 A381 E383	T333-D335 PolarHBondContact O-N 3.15Å; T333-G336 PolarHBondContact O-N 2.97Å; T333-F337 PolarHBondContact N-O 2.66Å; T333-F337 PolarHBondContact OG1-N 3.35Å; T333-I339 HydrophobicContact CG2-CD1 3.77Å; T333-I339 HydrophobicContact CG2-CG1 3.44Å; T333-I339 VanDerWaalsContact CG2-CG1 3.44Å; T333-A381 HydrophobicContact CG2-CB 4.34Å; T333-E383 HydrophobicContact CG2-CG 4.37Å
334	E	94.8	Very high	93.7	Very high	97 Å²	97	41.8 Å²	41.8	45%	0.453	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-36.3	174.8	-174.9	67.8	171.1	0	0	112.9	K236 G336	K236-E334 WeakPolarHBondContact CE-OE1 3.48Å; K236-E334 VanDerWaalsContact CE-OE2 3.27Å; K236-E334 WeakPolarHBondContact CE-OE2 3.36Å; K236-E334 HydrophobicContact CG-CG 4.22Å; K236-E334 IonicContact NZ-OE1 3.24Å; K236-E334 PolarHBondContact NZ-OE1 2.71Å; K236-E334 IonicContact NZ-OE2 3.13Å; K236-E334 PolarHBondContact NZ-OE2 3.37Å; E334-G336 PolarHBondContact O-N 3.12Å
335	D	92.8	Very high	93.9	Very high	98 Å²	98	41.5 Å²	41.5	52%	0.524	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	5.1	178.5	-61.7	-57.4	0	0	0	113.2	S235 T333 F337	S235-D335 WeakPolarHBondContact CB-OD2 3.04Å; S235-D335 PolarHBondContact OG-OD2 2.74Å; T333-D335 PolarHBondContact O-N 3.15Å; D335-F337 HydrophobicContact CB-CD2 3.75Å; D335-F337 HydrophobicContact CB-CE2 3.76Å
336	G	94.9	Very high	94.3	Very high	49 Å²	49	41.2 Å²	41.2	51%	0.505	22%	0.221	S	C	.	.	S	Bend	trans	81.5	17.9	176.3	0	0	0	0	0	115.5	T333 E334	T333-G336 PolarHBondContact O-N 2.97Å; E334-G336 PolarHBondContact O-N 3.12Å
337	F	95.9	Very high	94.8	Very high	56 Å²	56	40.4 Å²	40.4	25%	0.246	22%	0.215	C	C	.	.			trans	-91.3	141.4	176.7	-62.9	-76.7	0	0	0	112	F332 T333 D335 N342 S379 A381	F332-F337 CarbonylContact C-O 3.46Å; F332-F337 WeakPolarHBondContact CA-O 3.41Å; T333-F337 PolarHBondContact N-O 2.66Å; T333-F337 PolarHBondContact OG1-N 3.35Å; D335-F337 HydrophobicContact CB-CD2 3.75Å; D335-F337 HydrophobicContact CB-CE2 3.76Å; F337-N342 WeakPolarHBondContact CD1-ND2 3.45Å; F337-S379 WeakPolarHBondContact CE1-O 3.41Å; F337-A381 HydrophobicContact CB-CB 3.99Å; F337-A381 HydrophobicContact CD2-CB 3.77Å; F337-A381 HydrophobicContact CG-CB 4.08Å
338	D	96.8	Very high	95	Very high	22 Å²	22	40.8 Å²	40.8	12%	0.118	23%	0.225	C	C	.	.			trans	-83.2	110.6	163.5	175.4	-32.2	0	0	0	107.7	H266 F332 F340 Q341 N342	H266-D338 IonicContact CD2-OD1 3.12Å; H266-D338 IonicContact NE2-OD1 3.88Å; H266-D338 PolarHBondContact NE2-OD1 3.12Å; H266-D338 IonicContact NE2-OD2 3.96Å; F332-D338 HydrophobicContact CD1-CB 4Å; F332-D338 HydrophobicContact CE1-CB 4.05Å; D338-F340 VanDerWaalsContact C-N 3.26Å; D338-F340 PolarHBondContact O-N 3.04Å; D338-F340 WeakPolarHBondContact OD1-CA 3.33Å; D338-F340 WeakPolarHBondContact OD1-CB 3.11Å; D338-F340 PolarHBondContact OD1-N 2.95Å; D338-Q341 HydrophobicContact CB-CB 4.34Å; D338-Q341 HydrophobicContact CB-CG 4.35Å; D338-Q341 PolarHBondContact O-N 3.4Å; D338-Q341 PolarHBondContact OD1-N 3.4Å; D338-Q341 VanDerWaalsContact OD1-N 3.13Å; D338-Q341 WeakPolarHBondContact OD2-CG 3.3Å; D338-Q341 PolarHBondContact OD2-NE2 3.04Å; D338-N342 WeakPolarHBondContact O-CB 2.99Å; D338-N342 PolarHBondContact O-N 3.16Å; D338-N342 VanDerWaalsContact O-N 3.16Å
339	I	97.1	Very high	95	Very high	1 Å²	1	40 Å²	40	1%	0.005	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-58	-40.9	-177.7	-59.2	-175.3	0	0	0	111.1	L265 N310 T333 Q341 N342 F343 E383 I387	L265-I339 HydrophobicContact CD2-CB 4.17Å; L265-I339 HydrophobicContact CD2-CG2 3.71Å; N310-I339 HydrophobicContact CB-CD1 3.72Å; T333-I339 HydrophobicContact CG2-CD1 3.77Å; T333-I339 HydrophobicContact CG2-CG1 3.44Å; T333-I339 VanDerWaalsContact CG2-CG1 3.44Å; I339-Q341 PolarHBondContact O-N 3.49Å; I339-N342 PolarHBondContact O-N 3.47Å; I339-F343 HydrophobicContact CG2-CE2 4.24Å; I339-F343 WeakPolarHBondContact O-CD2 3.42Å; I339-F343 VanDerWaalsContact O-CE2 3.23Å; I339-F343 WeakPolarHBondContact O-CE2 3.46Å; I339-E383 HydrophobicContact CD1-CB 3.65Å; I339-E383 HydrophobicContact CD1-CG 4.04Å; I339-E383 HydrophobicContact CG1-CB 4.41Å; I339-I387 HydrophobicContact CG2-CD1 3.68Å
340	F	97	Very high	95.1	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.009	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-62.7	-31.6	-176	-176.5	-107.3	0	0	0	111.6	L265 D338 D414 V570 S573 M574 S588	L265-F340 HydrophobicContact CD1-CB 4.31Å; L265-F340 HydrophobicContact CD1-CD2 3.78Å; L265-F340 HydrophobicContact CD1-CG 4.45Å; D338-F340 VanDerWaalsContact C-N 3.26Å; D338-F340 PolarHBondContact O-N 3.04Å; D338-F340 WeakPolarHBondContact OD1-CA 3.33Å; D338-F340 WeakPolarHBondContact OD1-CB 3.11Å; D338-F340 PolarHBondContact OD1-N 2.95Å; F340-D414 WeakPolarHBondContact CZ-OD2 3.12Å; F340-V570 HydrophobicContact CD1-CG1 4.35Å; F340-V570 HydrophobicContact CE1-CG1 4.22Å; F340-V570 HydrophobicContact CE1-CG2 4.5Å; F340-S573 CarbonylContact O-C 3.54Å; F340-S573 WeakPolarHBondContact O-CA 3.33Å; F340-M574 HydrophobicContact CD2-CB 4Å; F340-M574 HydrophobicContact CE2-CB 4.25Å; F340-M574 PolarHBondContact O-N 3.29Å; F340-M574 VanDerWaalsContact O-N 3.07Å; F340-S588 WeakPolarHBondContact CE2-OG 3.21Å
341	Q	95.4	Very high	95	Very high	96 Å²	96	36.5 Å²	36.5	45%	0.449	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-100	4.7	-179.3	-49.1	-168.7	55.2	0	0	114.5	D338 I339 V570 G572	D338-Q341 HydrophobicContact CB-CB 4.34Å; D338-Q341 HydrophobicContact CB-CG 4.35Å; D338-Q341 PolarHBondContact O-N 3.4Å; D338-Q341 PolarHBondContact OD1-N 3.4Å; D338-Q341 VanDerWaalsContact OD1-N 3.13Å; D338-Q341 WeakPolarHBondContact OD2-CG 3.3Å; D338-Q341 PolarHBondContact OD2-NE2 3.04Å; I339-Q341 PolarHBondContact O-N 3.49Å; Q341-V570 HydrophobicContact CB-CG1 4.16Å; Q341-V570 HydrophobicContact CG-CG1 3.61Å; Q341-G572 CarbonylContact C-O 3.5Å
342	N	95.7	Very high	94.8	Very high	20 Å²	20	38.9 Å²	38.9	11%	0.107	21%	0.21	C	C	.	.			trans	-97.4	4.6	-171	-169.7	-118.8	0	0	0	114.5	F337 D338 I339 S379 I380 A381 T384	F337-N342 WeakPolarHBondContact CD1-ND2 3.45Å; D338-N342 WeakPolarHBondContact O-CB 2.99Å; D338-N342 PolarHBondContact O-N 3.16Å; D338-N342 VanDerWaalsContact O-N 3.16Å; I339-N342 PolarHBondContact O-N 3.47Å; N342-S379 PolarHBondContact ND2-O 3.36Å; N342-I380 WeakPolarHBondContact OD1-CA 3.19Å; N342-A381 PolarHBondContact OD1-N 3.44Å; N342-T384 HydrophobicContact CB-CG2 4.29Å; N342-T384 WeakPolarHBondContact OD1-CB 3.45Å; N342-T384 PolarHBondContact OD1-OG1 2.87Å
343	F	96	Very high	94.6	Very high	8 Å²	8	35 Å²	35	4%	0.035	19%	0.194	C	C	.	.	S	Bend	trans	-79.2	156.8	179.3	-70.4	-106.6	0	0	0	111.6	I339 D345 T384 I387 I388 M391 G572 M574 F577	I339-F343 HydrophobicContact CG2-CE2 4.24Å; I339-F343 WeakPolarHBondContact O-CD2 3.42Å; I339-F343 VanDerWaalsContact O-CE2 3.23Å; I339-F343 WeakPolarHBondContact O-CE2 3.46Å; F343-D345 PolarHBondContact O-N 3.13Å; F343-T384 HydrophobicContact CD1-CG2 4.18Å; F343-T384 HydrophobicContact CD2-CG2 3.91Å; F343-T384 HydrophobicContact CE1-CG2 4.18Å; F343-T384 HydrophobicContact CE2-CG2 3.88Å; F343-T384 HydrophobicContact CG-CG2 4.04Å; F343-T384 HydrophobicContact CZ-CG2 4Å; F343-I387 HydrophobicContact CE1-CG2 4.04Å; F343-I387 HydrophobicContact CZ-CB 4.18Å; F343-I387 HydrophobicContact CZ-CD1 4.34Å; F343-I387 HydrophobicContact CZ-CG2 3.74Å; F343-I388 HydrophobicContact CD1-CD1 3.65Å; F343-I388 HydrophobicContact CD1-CG1 3.63Å; F343-I388 HydrophobicContact CE1-CD1 3.99Å; F343-I388 HydrophobicContact CE1-CG1 3.51Å; F343-I388 HydrophobicContact CG-CD1 4.49Å; F343-M391 HydrophobicContact CE1-CE 4.09Å; F343-M391 HydrophobicContact CZ-CE 4.37Å; F343-G572 WeakPolarHBondContact CA-O 3.32Å; F343-G572 WeakPolarHBondContact CB-O 3.09Å; F343-G572 PolarHBondContact N-O 2.89Å; F343-G572 WeakPolarHBondContact O-CA 3.28Å; F343-M574 HydrophobicContact CD2-CB 3.84Å; F343-M574 HydrophobicContact CD2-CG 4.29Å; F343-M574 HydrophobicContact CE1-CG 3.96Å; F343-M574 HydrophobicContact CE2-CB 3.52Å; F343-M574 HydrophobicContact CE2-CG 3.63Å; F343-M574 HydrophobicContact CE2-SD 3.97Å; F343-M574 HydrophobicContact CG-CB 4.49Å; F343-M574 HydrophobicContact CZ-CB 3.91Å; F343-M574 HydrophobicContact CZ-CG 3.45Å; F343-M574 VanDerWaalsContact CZ-CG 3.45Å; F343-M574 HydrophobicContact CZ-SD 3.66Å; F343-F577 HydrophobicContact CB-CB 3.85Å; F343-F577 HydrophobicContact CB-CD2 4.28Å; F343-F577 HydrophobicContact CB-CG 4.12Å; F343-F577 HydrophobicContact CD1-CB 3.85Å; F343-F577 AromaticContact CD1-CD1 3.57Å; F343-F577 HydrophobicContact CD1-CD1 3.57Å; F343-F577 HydrophobicContact CD1-CD2 4.15Å; F343-F577 HydrophobicContact CD1-CE1 4.19Å; F343-F577 AromaticContact CD1-CG 3.56Å; F343-F577 HydrophobicContact CD1-CG 3.56Å; F343-F577 HydrophobicContact CE1-CD1 4.03Å; F343-F577 HydrophobicContact CE1-CE1 4.49Å; F343-F577 HydrophobicContact CE1-CG 4.45Å; F343-F577 HydrophobicContact CG-CB 4.1Å; F343-F577 HydrophobicContact CG-CG 4.23Å
344	P	94.7	Very high	94.3	Very high	17 Å²	17	36.5 Å²	36.5	11%	0.11	20%	0.201	C	C	.	.			trans	-57.4	130.1	173.4	-25.7	35.7	0	0	0	112.1	L346 I370 F374 I388 F577	P344-L346 HydrophobicContact CB-CD2 4.13Å; P344-L346 PolarHBondContact O-N 3.13Å; P344-I370 HydrophobicContact CB-CG2 4.49Å; P344-I370 HydrophobicContact CG-CG2 4.07Å; P344-F374 HydrophobicContact CG-CD2 3.55Å; P344-F374 HydrophobicContact CG-CE2 3.5Å; P344-F374 VanDerWaalsContact CG-CE2 3.5Å; P344-I388 HydrophobicContact CG-CD1 4.39Å; P344-F577 HydrophobicContact CG-CD2 4.38Å; P344-F577 HydrophobicContact CG-CE2 4.17Å
345	D	93.6	Very high	94	Very high	51 Å²	51	36.7 Å²	36.7	27%	0.273	21%	0.205	S	C	.	.			trans	-69	91.8	171.5	176.9	11.4	0	0	0	110.7	F343 N347 S348	F343-D345 PolarHBondContact O-N 3.13Å; D345-N347 WeakPolarHBondContact OD1-CB 3.48Å; D345-N347 PolarHBondContact OD1-N 2.82Å; D345-N347 VanDerWaalsContact OD1-N 3.1Å; D345-S348 PolarHBondContact OD1-N 3.14Å; D345-S348 WeakPolarHBondContact OD2-CB 3.15Å; D345-S348 PolarHBondContact OD2-OG 3.28Å
346	L	95.1	Very high	94	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-85	-17.7	173.9	-56.8	-174.3	0	0	0	112.1	P344 I349 L350 V368 F577 L580 H581	P344-L346 HydrophobicContact CB-CD2 4.13Å; P344-L346 PolarHBondContact O-N 3.13Å; L346-I349 HydrophobicContact CD2-CD1 4.05Å; L346-I349 PolarHBondContact O-N 3.13Å; L346-L350 WeakPolarHBondContact O-CB 3.44Å; L346-L350 PolarHBondContact O-N 3.17Å; L346-V368 HydrophobicContact CB-CB 4.38Å; L346-V368 HydrophobicContact CB-CG1 4.23Å; L346-V368 HydrophobicContact CD1-CB 4.34Å; L346-V368 HydrophobicContact CD2-CG1 4.32Å; L346-F577 HydrophobicContact CD1-CD2 3.71Å; L346-F577 HydrophobicContact CD1-CE2 3.94Å; L346-F577 HydrophobicContact CG-CD2 4.18Å; L346-L580 HydrophobicContact CB-CB 3.99Å; L346-L580 HydrophobicContact CB-CD1 3.86Å; L346-L580 HydrophobicContact CD1-CB 4.18Å; L346-H581 HydrophobicContact CD1-CB 3.65Å
347	N	94.8	Very high	93.7	Very high	2 Å²	2	38 Å²	38	1%	0.011	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-52.4	178.4	-57.5	66.4	0	0	0	110.3	D345 I349 L350 W351 Y413 D576 L580	D345-N347 WeakPolarHBondContact OD1-CB 3.48Å; D345-N347 PolarHBondContact OD1-N 2.82Å; D345-N347 VanDerWaalsContact OD1-N 3.1Å; N347-I349 VanDerWaalsContact C-N 3.29Å; N347-I349 PolarHBondContact O-N 2.98Å; N347-L350 PolarHBondContact O-N 2.97Å; N347-W351 HydrophobicContact CB-CD2 4.15Å; N347-W351 HydrophobicContact CB-CE3 3.98Å; N347-W351 HydrophobicContact CB-CH2 3.74Å; N347-W351 HydrophobicContact CB-CZ2 3.86Å; N347-W351 HydrophobicContact CB-CZ3 3.77Å; N347-W351 WeakPolarHBondContact O-CB 3.38Å; N347-W351 VanDerWaalsContact O-CD2 3.24Å; N347-W351 PolarHBondContact O-N 3.42Å; N347-Y413 WeakPolarHBondContact ND2-CD1 3.33Å; N347-D576 PolarHBondContact ND2-OD2 3.08Å; N347-D576 WeakPolarHBondContact OD1-CB 3.46Å; N347-L580 HydrophobicContact CB-CD1 4.34Å
348	S	92.9	Very high	93.4	Very high	54 Å²	54	38.7 Å²	38.7	38%	0.378	21%	0.213	S	C	.	.	H	α-helix	trans	-57.2	-44.1	176.7	-69.3	0	0	0	0	111.1	D345 D352	D345-S348 PolarHBondContact OD1-N 3.14Å; D345-S348 WeakPolarHBondContact OD2-CB 3.15Å; D345-S348 PolarHBondContact OD2-OG 3.28Å; S348-D352 VanDerWaalsContact O-CB 3.24Å; S348-D352 WeakPolarHBondContact O-CB 3.5Å; S348-D352 PolarHBondContact O-N 3.18Å
349	I	92.4	Very high	92.9	Very high	61 Å²	61	38.7 Å²	38.7	31%	0.313	21%	0.213	S	C	.	.	H	α-helix	trans	-61	-46.7	178.6	-63.7	172	0	0	0	111.7	L346 N347 A353 V368 P371	L346-I349 HydrophobicContact CD2-CD1 4.05Å; L346-I349 PolarHBondContact O-N 3.13Å; N347-I349 VanDerWaalsContact C-N 3.29Å; N347-I349 PolarHBondContact O-N 2.98Å; I349-A353 WeakPolarHBondContact O-CB 3.43Å; I349-A353 PolarHBondContact O-N 3.03Å; I349-V368 HydrophobicContact CB-CG1 4.3Å; I349-V368 HydrophobicContact CG2-CG1 3.79Å; I349-P371 HydrophobicContact CD1-CG 3.93Å
350	L	93.6	Very high	92.2	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-64.3	-52.9	178.8	177.2	65	0	0	0	110.8	L346 N347 D352 A353 E354 V359 V368 L580	L346-L350 WeakPolarHBondContact O-CB 3.44Å; L346-L350 PolarHBondContact O-N 3.17Å; N347-L350 PolarHBondContact O-N 2.97Å; L350-D352 PolarHBondContact O-N 2.92Å; L350-A353 WeakPolarHBondContact O-CA 3.37Å; L350-A353 WeakPolarHBondContact O-CB 3.47Å; L350-A353 PolarHBondContact O-N 2.95Å; L350-E354 HydrophobicContact CD1-CG 4.32Å; L350-E354 HydrophobicContact CG-CG 4.43Å; L350-E354 WeakPolarHBondContact O-CG 3.25Å; L350-E354 PolarHBondContact O-N 2.96Å; L350-V359 HydrophobicContact CD1-CG2 3.94Å; L350-V368 HydrophobicContact CB-CG2 4.37Å; L350-V368 HydrophobicContact CD1-CG2 4.32Å; L350-L580 HydrophobicContact CD2-CD2 3.6Å
351	W	93.2	Very high	91.3	Very high	6 Å²	6	50.9 Å²	50.9	2%	0.023	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-38.4	-173.2	-58.3	-22	0	0	0	112	N347 A353 E354 D355 Y413 S415 R417	N347-W351 HydrophobicContact CB-CD2 4.15Å; N347-W351 HydrophobicContact CB-CE3 3.98Å; N347-W351 HydrophobicContact CB-CH2 3.74Å; N347-W351 HydrophobicContact CB-CZ2 3.86Å; N347-W351 HydrophobicContact CB-CZ3 3.77Å; N347-W351 WeakPolarHBondContact O-CB 3.38Å; N347-W351 VanDerWaalsContact O-CD2 3.24Å; N347-W351 PolarHBondContact O-N 3.42Å; W351-A353 VanDerWaalsContact C-N 3.27Å; W351-A353 PolarHBondContact O-N 2.8Å; W351-E354 PolarHBondContact O-N 3.3Å; W351-D355 VanDerWaalsContact O-CG 3.31Å; W351-D355 PolarHBondContact O-N 2.92Å; W351-Y413 HydrophobicContact CZ2-CD2 4.11Å; W351-Y413 HydrophobicContact CZ2-CE2 4.41Å; W351-Y413 HydrophobicContact CZ2-CG 4.2Å; W351-S415 WeakPolarHBondContact CH2-O 3.42Å; W351-R417 HydrophobicContact CD2-CB 4.43Å; W351-R417 HydrophobicContact CE3-CB 3.77Å; W351-R417 HydrophobicContact CE3-CG 4.2Å; W351-R417 HydrophobicContact CH2-CB 3.74Å; W351-R417 HydrophobicContact CZ2-CB 4.44Å; W351-R417 HydrophobicContact CZ3-CB 3.39Å; W351-R417 HydrophobicContact CZ3-CG 4.3Å
352	D	91.8	Very high	90.6	Very high	77 Å²	77	52.9 Å²	52.9	41%	0.412	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-35.8	171.8	-107.3	37	0	0	0	112.7	S348 L350 K356	S348-D352 VanDerWaalsContact O-CB 3.24Å; S348-D352 WeakPolarHBondContact O-CB 3.5Å; S348-D352 PolarHBondContact O-N 3.18Å; L350-D352 PolarHBondContact O-N 2.92Å; D352-K356 WeakPolarHBondContact O-CD 3.46Å; D352-K356 VanDerWaalsContact O-CE 3.25Å; D352-K356 WeakPolarHBondContact O-CE 3.28Å; D352-K356 WeakPolarHBondContact O-CG 3.4Å; D352-K356 PolarHBondContact O-N 2.83Å; D352-K356 IonicContact OD2-NZ 3.37Å; D352-K356 PolarHBondContact OD2-NZ 3.09Å
353	A	91.1	Very high	90.2	Very high	5 Å²	5	53.2 Å²	53.2	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-75.2	-35.9	178.2	0	0	0	0	0	111.8	I349 L350 W351 K356 G357 M358 V359 T363	I349-A353 WeakPolarHBondContact O-CB 3.43Å; I349-A353 PolarHBondContact O-N 3.03Å; L350-A353 WeakPolarHBondContact O-CA 3.37Å; L350-A353 WeakPolarHBondContact O-CB 3.47Å; L350-A353 PolarHBondContact O-N 2.95Å; W351-A353 VanDerWaalsContact C-N 3.27Å; W351-A353 PolarHBondContact O-N 2.8Å; A353-K356 PolarHBondContact O-N 3.38Å; A353-G357 PolarHBondContact O-N 2.85Å; A353-M358 HydrophobicContact CB-CB 4.18Å; A353-M358 WeakPolarHBondContact O-CB 3.32Å; A353-M358 PolarHBondContact O-N 3.44Å; A353-V359 HydrophobicContact CB-CG2 3.82Å; A353-T363 HydrophobicContact CB-CG2 3.84Å; A353-T363 VanDerWaalsContact CB-OG1 3.32Å; A353-T363 WeakPolarHBondContact CB-OG1 3.16Å
354	E	90.4	Very high	90	Very high	40 Å²	40	55 Å²	55	19%	0.187	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-46.1	173.4	-68.4	176.1	114.6	0	0	111.9	L350 W351 K356 G357 V359 R520	L350-E354 HydrophobicContact CD1-CG 4.32Å; L350-E354 HydrophobicContact CG-CG 4.43Å; L350-E354 WeakPolarHBondContact O-CG 3.25Å; L350-E354 PolarHBondContact O-N 2.96Å; W351-E354 PolarHBondContact O-N 3.3Å; E354-K356 PolarHBondContact O-N 3.12Å; E354-G357 WeakPolarHBondContact O-CA 3.29Å; E354-G357 PolarHBondContact O-N 2.62Å; E354-V359 HydrophobicContact CG-CB 3.83Å; E354-V359 HydrophobicContact CG-CG1 4.23Å; E354-V359 HydrophobicContact CG-CG2 3.62Å; E354-R520 IonicContact OE1-CZ 3.98Å; E354-R520 IonicContact OE1-NH2 3.79Å; E354-R520 PolarHBondContact OE1-NH2 3.01Å; E354-R520 IonicContact OE2-CZ 3.66Å; E354-R520 IonicContact OE2-NH1 3.79Å; E354-R520 PolarHBondContact OE2-NH1 3.45Å; E354-R520 IonicContact OE2-NH2 2.7Å; E354-R520 PolarHBondContact OE2-NH2 3.03Å
355	D	89.4	Confident	89.9	Confident	101 Å²	101	54.4 Å²	54.4	54%	0.54	30%	0.298	S	S	.	.	H	α-helix	trans	-55.5	-38.2	175.1	-73.1	-31.3	0	0	0	112	W351 G357 R417	W351-D355 VanDerWaalsContact O-CG 3.31Å; W351-D355 PolarHBondContact O-N 2.92Å; D355-G357 PolarHBondContact O-N 2.95Å; D355-R417 IonicContact OD1-CZ 2.72Å; D355-R417 IonicContact OD1-NH2 3.69Å; D355-R417 PolarHBondContact OD1-NH2 2.97Å; D355-R417 IonicContact OD2-CZ 3.62Å; D355-R417 VanDerWaalsContact OD2-CZ 3.28Å; D355-R417 IonicContact OD2-NH1 2.79Å; D355-R417 PolarHBondContact OD2-NH1 3.45Å; D355-R417 IonicContact OD2-NH2 3.95Å; D355-R417 PolarHBondContact OD2-NH2 3.02Å
356	K	91.4	Very high	89.9	Confident	120 Å²	120	53 Å²	53	52%	0.522	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-0.1	178.3	-65.3	162	-158.5	155.6	0	112.9	D352 A353 E354 M358	D352-K356 WeakPolarHBondContact O-CD 3.46Å; D352-K356 VanDerWaalsContact O-CE 3.25Å; D352-K356 WeakPolarHBondContact O-CE 3.28Å; D352-K356 WeakPolarHBondContact O-CG 3.4Å; D352-K356 PolarHBondContact O-N 2.83Å; D352-K356 IonicContact OD2-NZ 3.37Å; D352-K356 PolarHBondContact OD2-NZ 3.09Å; A353-K356 PolarHBondContact O-N 3.38Å; E354-K356 PolarHBondContact O-N 3.12Å; K356-M358 HydrophobicContact CB-CE 3.95Å; K356-M358 HydrophobicContact CB-CG 3.85Å; K356-M358 HydrophobicContact CB-SD 4.02Å; K356-M358 HydrophobicContact CD-CE 4.15Å; K356-M358 HydrophobicContact CD-SD 4.33Å; K356-M358 PolarHBondContact O-N 2.77Å
357	G	89.7	Confident	90	Very high	54 Å²	54	56 Å²	56	56%	0.557	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	23.2	-177.7	0	0	0	0	0	113.9	A353 E354 D355	A353-G357 PolarHBondContact O-N 2.85Å; E354-G357 WeakPolarHBondContact O-CA 3.29Å; E354-G357 PolarHBondContact O-N 2.62Å; D355-G357 PolarHBondContact O-N 2.95Å
358	M	88.5	Confident	90	Very high	71 Å²	71	55.9 Å²	55.9	35%	0.35	30%	0.303	S	S	.	.			trans	-85.3	-22.1	-176.5	-66.1	-177.9	177.2	0	0	112.9	A353 K356 K361 L362 T363	A353-M358 HydrophobicContact CB-CB 4.18Å; A353-M358 WeakPolarHBondContact O-CB 3.32Å; A353-M358 PolarHBondContact O-N 3.44Å; K356-M358 HydrophobicContact CB-CE 3.95Å; K356-M358 HydrophobicContact CB-CG 3.85Å; K356-M358 HydrophobicContact CB-SD 4.02Å; K356-M358 HydrophobicContact CD-CE 4.15Å; K356-M358 HydrophobicContact CD-SD 4.33Å; K356-M358 PolarHBondContact O-N 2.77Å; M358-K361 CarbonylContact O-C 3.6Å; M358-K361 WeakPolarHBondContact O-CA 3.44Å; M358-K361 PolarHBondContact O-N 2.86Å; M358-L362 HydrophobicContact CB-CB 4.25Å; M358-L362 PolarHBondContact O-N 3.02Å; M358-T363 PolarHBondContact O-N 2.85Å
359	V	87.9	Confident	89.9	Confident	22 Å²	22	57 Å²	57	13%	0.133	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	140.2	179	177.6	0	0	0	0	111.5	L350 A353 E354 K361 T363 N365	L350-V359 HydrophobicContact CD1-CG2 3.94Å; A353-V359 HydrophobicContact CB-CG2 3.82Å; E354-V359 HydrophobicContact CG-CB 3.83Å; E354-V359 HydrophobicContact CG-CG1 4.23Å; E354-V359 HydrophobicContact CG-CG2 3.62Å; V359-K361 VanDerWaalsContact C-N 3.34Å; V359-T363 WeakPolarHBondContact CA-O 3.39Å; V359-T363 HydrophobicContact CG2-CG2 4.39Å; V359-N365 HydrophobicContact CG1-CB 3.74Å
360	P	80.7	Confident	89.9	Confident	78 Å²	78	55.5 Å²	55.5	51%	0.506	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.2	26.7	-8.9	38.3	-36.7	0	0	0	112.7	T363 N365	P360-T363 CarbonylContact C-O 3.46Å; P360-T363 VanDerWaalsContact CA-O 3.25Å; P360-T363 WeakPolarHBondContact CA-O 3.46Å; P360-N365 HydrophobicContact CB-CB 4.49Å
361	K	78.2	Confident	89.6	Confident	181 Å²	181	58.5 Å²	58.5	79%	0.787	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-38	-165.1	-68.7	176.8	-176.4	162.5	0	115	M358 V359	M358-K361 CarbonylContact O-C 3.6Å; M358-K361 WeakPolarHBondContact O-CA 3.44Å; M358-K361 PolarHBondContact O-N 2.86Å; V359-K361 VanDerWaalsContact C-N 3.34Å
362	L	81.9	Confident	88.9	Confident	138 Å²	138	67.1 Å²	67.1	72%	0.723	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-45	174	-75.9	86.2	0	0	0	110	M358	M358-L362 HydrophobicContact CB-CB 4.25Å; M358-L362 PolarHBondContact O-N 3.02Å
363	T	86.9	Confident	88.1	Confident	26 Å²	26	69.7 Å²	69.7	16%	0.16	38%	0.376	C	S	.	.	S	Bend	trans	-102.7	126.4	173.1	-50.7	0	0	0	0	108.5	A353 M358 V359 P360	A353-T363 HydrophobicContact CB-CG2 3.84Å; A353-T363 VanDerWaalsContact CB-OG1 3.32Å; A353-T363 WeakPolarHBondContact CB-OG1 3.16Å; M358-T363 PolarHBondContact O-N 2.85Å; V359-T363 WeakPolarHBondContact CA-O 3.39Å; V359-T363 HydrophobicContact CG2-CG2 4.39Å; P360-T363 CarbonylContact C-O 3.46Å; P360-T363 VanDerWaalsContact CA-O 3.25Å; P360-T363 WeakPolarHBondContact CA-O 3.46Å
364	P	91.9	Very high	87.5	Confident	45 Å²	45	70.6 Å²	70.6	29%	0.292	38%	0.379	S	S	.	.			trans	-59.7	156.1	171.3	-28.6	38.9	0	0	0	113.6	H366	P364-H366 VanDerWaalsContact C-N 3.31Å; P364-H366 WeakPolarHBondContact CB-O 3.17Å
365	N	92.9	Very high	86.5	Confident	6 Å²	6	75.4 Å²	75.4	3%	0.032	40%	0.401	C	S	.	.	S	Bend	trans	-91.3	8.7	169.4	63.8	-6.5	0	0	0	113	V359 P360 N647 H648 D649	V359-N365 HydrophobicContact CG1-CB 3.74Å; P360-N365 HydrophobicContact CB-CB 4.49Å; N365-N647 PolarHBondContact ND2-OD1 3.08Å; N365-H648 PolarHBondContact O-ND1 2.87Å; N365-D649 PolarHBondContact ND2-OD1 2.93Å; N365-D649 PolarHBondContact OD1-OD2 3.17Å
366	H	93.8	Very high	85.7	Confident	20 Å²	20	78.7 Å²	78.7	9%	0.093	41%	0.411	C	S	.	.	S	Bend	trans	-157.8	153.1	-176.5	64.1	-78.5	0	0	0	107.9	P364 V368 D649	P364-H366 VanDerWaalsContact C-N 3.31Å; P364-H366 WeakPolarHBondContact CB-O 3.17Å; H366-V368 PolarHBondContact O-N 2.86Å; H366-D649 WeakPolarHBondContact CB-O 3.12Å; H366-D649 IonicContact CE1-OD2 2.76Å; H366-D649 IonicContact ND1-OD2 3.75Å
367	H	95.6	Very high	85.1	Confident	63 Å²	63	76 Å²	76	29%	0.292	40%	0.402	S	S	.	.	S	Bend	trans	52.7	44	-178.5	-64.1	43.9	0	0	0	112.6	L580 H581 T582 N583 T651	H367-L580 CarbonylContact C-O 3.52Å; H367-L580 WeakPolarHBondContact CA-O 3.17Å; H367-L580 PolarHBondContact N-O 3.07Å; H367-H581 WeakPolarHBondContact CA-O 3.32Å; H367-T582 PolarHBondContact CE1-O 2.87Å; H367-T582 VanDerWaalsContact CE1-O 3.31Å; H367-T582 PolarHBondContact ND1-O 2.57Å; H367-N583 PolarHBondContact CE1-OD1 3.14Å; H367-N583 VanDerWaalsContact CE1-OD1 3.27Å; H367-T651 PolarHBondContact CE1-OG1 2.88Å; H367-T651 VanDerWaalsContact CE1-OG1 3.24Å; H367-T651 PolarHBondContact NE2-OG1 2.85Å
368	V	95.2	Very high	84.6	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-56.1	124.8	177.9	179.4	0	0	0	0	108.3	L346 I349 L350 H366 L580 H581	L346-V368 HydrophobicContact CB-CB 4.38Å; L346-V368 HydrophobicContact CB-CG1 4.23Å; L346-V368 HydrophobicContact CD1-CB 4.34Å; L346-V368 HydrophobicContact CD2-CG1 4.32Å; I349-V368 HydrophobicContact CB-CG1 4.3Å; I349-V368 HydrophobicContact CG2-CG1 3.79Å; L350-V368 HydrophobicContact CB-CG2 4.37Å; L350-V368 HydrophobicContact CD1-CG2 4.32Å; H366-V368 PolarHBondContact O-N 2.86Å; V368-L580 HydrophobicContact CG2-CB 4.4Å; V368-L580 PolarHBondContact N-O 3.45Å; V368-H581 PolarHBondContact O-ND1 2.84Å
369	P	92.1	Very high	84.5	Confident	79 Å²	79	79.1 Å²	79.1	51%	0.513	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-67.5	137.2	-171.5	26.1	-34.6	0	0	0	111.7
370	I	91.4	Very high	84.7	Confident	29 Å²	29	78.7 Å²	78.7	15%	0.149	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-68.8	137.9	171.4	-54.7	-178.1	0	0	0	108.8	P344 F374 I388 F577	P344-I370 HydrophobicContact CB-CG2 4.49Å; P344-I370 HydrophobicContact CG-CG2 4.07Å; I370-F374 HydrophobicContact CG2-CB 3.48Å; I370-F374 VanDerWaalsContact CG2-CB 3.48Å; I370-F374 HydrophobicContact CG2-CD1 4.22Å; I370-F374 HydrophobicContact CG2-CD2 3.65Å; I370-F374 HydrophobicContact CG2-CE2 4.46Å; I370-F374 HydrophobicContact CG2-CG 3.51Å; I370-I388 HydrophobicContact CD1-CG2 3.91Å; I370-F577 HydrophobicContact CD1-CE2 3.77Å; I370-F577 HydrophobicContact CD1-CZ 3.76Å; I370-F577 HydrophobicContact CG1-CE2 4.05Å; I370-F577 HydrophobicContact CG1-CZ 4.42Å
371	P	87.3	Confident	85.3	Confident	67 Å²	67	75.1 Å²	75.1	44%	0.435	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-55.4	138.7	175.4	-27.4	35.8	0	0	0	113.8	I349 N373 F374	I349-P371 HydrophobicContact CD1-CG 3.93Å; P371-N373 PolarHBondContact O-N 2.87Å; P371-F374 WeakPolarHBondContact O-CB 3.46Å; P371-F374 PolarHBondContact O-N 3.45Å
372	E	77.7	Confident	86	Confident	188 Å²	188	70.2 Å²	70.2	88%	0.879	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.1	-171.4	-62.7	-179.9	168.5	0	0	114.6	F374	E372-F374 VanDerWaalsContact C-N 3.3Å; E372-F374 PolarHBondContact O-N 2.83Å
373	N	76.1	Confident	86.7	Confident	131 Å²	131	63.7 Å²	63.7	70%	0.701	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	4.7	-179.9	-66.3	-22.9	0	0	0	114.2	P371 E375 F376 N377	P371-N373 PolarHBondContact O-N 2.87Å; N373-E375 PolarHBondContact O-N 2.82Å; N373-F376 PolarHBondContact O-N 2.84Å; N373-N377 PolarHBondContact O-N 3.19Å
374	F	78.2	Confident	87.2	Confident	24 Å²	24	62.4 Å²	62.4	11%	0.105	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-56.8	-44.7	-176.3	168.1	-90.1	0	0	0	113.7	P344 I370 P371 E372 F376 N377 I380 R385 I388	P344-F374 HydrophobicContact CG-CD2 3.55Å; P344-F374 HydrophobicContact CG-CE2 3.5Å; P344-F374 VanDerWaalsContact CG-CE2 3.5Å; I370-F374 HydrophobicContact CG2-CB 3.48Å; I370-F374 VanDerWaalsContact CG2-CB 3.48Å; I370-F374 HydrophobicContact CG2-CD1 4.22Å; I370-F374 HydrophobicContact CG2-CD2 3.65Å; I370-F374 HydrophobicContact CG2-CE2 4.46Å; I370-F374 HydrophobicContact CG2-CG 3.51Å; P371-F374 WeakPolarHBondContact O-CB 3.46Å; P371-F374 PolarHBondContact O-N 3.45Å; E372-F374 VanDerWaalsContact C-N 3.3Å; E372-F374 PolarHBondContact O-N 2.83Å; F374-F376 PolarHBondContact O-N 2.88Å; F374-N377 WeakPolarHBondContact O-CB 3.37Å; F374-N377 PolarHBondContact O-N 3.43Å; F374-N377 VanDerWaalsContact O-N 3.08Å; F374-I380 HydrophobicContact CD2-CD1 3.34Å; F374-I380 HydrophobicContact CE2-CD1 3.37Å; F374-I380 HydrophobicContact CE2-CG2 4.09Å; F374-I380 HydrophobicContact CG-CD1 4.34Å; F374-I380 HydrophobicContact CZ-CD1 4.36Å; F374-I380 HydrophobicContact CZ-CG2 4.32Å; F374-R385 HydrophobicContact CZ-CG 4.34Å; F374-I388 HydrophobicContact CE1-CG2 4.44Å; F374-I388 HydrophobicContact CE2-CD1 3.67Å; F374-I388 HydrophobicContact CZ-CB 4.44Å; F374-I388 HydrophobicContact CZ-CD1 3.48Å; F374-I388 VanDerWaalsContact CZ-CD1 3.48Å; F374-I388 HydrophobicContact CZ-CG2 4.2Å
375	E	70.4	Confident	87.4	Confident	141 Å²	141	64.5 Å²	64.5	66%	0.659	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-64.5	-25.3	-173.8	-62.4	-175	171.1	0	0	113.3	N373	N373-E375 PolarHBondContact O-N 2.82Å
376	F	72.3	Confident	87.6	Confident	170 Å²	170	64.7 Å²	64.7	75%	0.746	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-100.2	-0.7	179.2	-54.6	-71.9	0	0	0	113.3	N373 F374 T378	N373-F376 PolarHBondContact O-N 2.84Å; F374-F376 PolarHBondContact O-N 2.88Å; F376-T378 PolarHBondContact O-N 2.89Å
377	N	79.2	Confident	87.8	Confident	63 Å²	63	63.7 Å²	63.7	34%	0.337	33%	0.33	S	S	.	.			trans	-76.5	107.5	-176.6	-172.4	1.4	0	0	0	111.2	N373 F374 S379 I380 R385	N373-N377 PolarHBondContact O-N 3.19Å; F374-N377 WeakPolarHBondContact O-CB 3.37Å; F374-N377 PolarHBondContact O-N 3.43Å; F374-N377 VanDerWaalsContact O-N 3.08Å; N377-S379 PolarHBondContact O-N 2.83Å; N377-S379 WeakPolarHBondContact OD1-CB 3.41Å; N377-S379 PolarHBondContact OD1-N 2.72Å; N377-S379 PolarHBondContact OD1-OG 3.22Å; N377-I380 HydrophobicContact CB-CD1 4.03Å; N377-I380 HydrophobicContact CB-CG1 4.19Å; N377-I380 PolarHBondContact O-N 3.26Å; N377-R385 PolarHBondContact O-NH2 3.02Å
378	T	78.4	Confident	87.8	Confident	123 Å²	123	60.9 Å²	60.9	76%	0.755	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.3	177.8	51.2	0	0	0	0	113.9	F376 I380	F376-T378 PolarHBondContact O-N 2.89Å; T378-I380 PolarHBondContact O-N 3.15Å
379	S	86.2	Confident	87.9	Confident	67 Å²	67	64.6 Å²	64.6	47%	0.469	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	8.4	176.6	-45.6	0	0	0	0	114	F337 N342 N377	F337-S379 WeakPolarHBondContact CE1-O 3.41Å; N342-S379 PolarHBondContact ND2-O 3.36Å; N377-S379 PolarHBondContact O-N 2.83Å; N377-S379 WeakPolarHBondContact OD1-CB 3.41Å; N377-S379 PolarHBondContact OD1-N 2.72Å; N377-S379 PolarHBondContact OD1-OG 3.22Å
380	I	91.3	Very high	88.1	Confident	14 Å²	14	61.2 Å²	61.2	7%	0.072	32%	0.32	C	S	.	.	S	Bend	trans	-123.9	115.3	-176.4	-52.6	-176.2	0	0	0	109.1	N342 F374 N377 T378 T384 R385	N342-I380 WeakPolarHBondContact OD1-CA 3.19Å; F374-I380 HydrophobicContact CD2-CD1 3.34Å; F374-I380 HydrophobicContact CE2-CD1 3.37Å; F374-I380 HydrophobicContact CE2-CG2 4.09Å; F374-I380 HydrophobicContact CG-CD1 4.34Å; F374-I380 HydrophobicContact CZ-CD1 4.36Å; F374-I380 HydrophobicContact CZ-CG2 4.32Å; N377-I380 HydrophobicContact CB-CD1 4.03Å; N377-I380 HydrophobicContact CB-CG1 4.19Å; N377-I380 PolarHBondContact O-N 3.26Å; T378-I380 PolarHBondContact O-N 3.15Å; I380-T384 HydrophobicContact CG2-CG2 3.96Å; I380-R385 HydrophobicContact CG2-CG 3.99Å; I380-R385 PolarHBondContact O-NE 2.88Å; I380-R385 PolarHBondContact O-NH2 2.74Å
381	A	93.8	Very high	88.4	Confident	3 Å²	3	60 Å²	60	3%	0.025	31%	0.314	C	S	.	.			trans	-59.2	152.1	-178.5	0	0	0	0	0	111.9	T333 F337 N342 E383 T384 R385	T333-A381 HydrophobicContact CG2-CB 4.34Å; F337-A381 HydrophobicContact CB-CB 3.99Å; F337-A381 HydrophobicContact CD2-CB 3.77Å; F337-A381 HydrophobicContact CG-CB 4.08Å; N342-A381 PolarHBondContact OD1-N 3.44Å; A381-E383 VanDerWaalsContact C-N 3.31Å; A381-E383 WeakPolarHBondContact CB-OE2 3.29Å; A381-E383 PolarHBondContact O-N 3.05Å; A381-T384 WeakPolarHBondContact O-CB 3.26Å; A381-T384 PolarHBondContact O-N 3.47Å; A381-R385 WeakPolarHBondContact O-CG 3.45Å; A381-R385 PolarHBondContact O-N 2.82Å; A381-R385 VanDerWaalsContact O-N 3.11Å
382	M	94.1	Very high	88.8	Confident	78 Å²	78	62.4 Å²	62.4	38%	0.384	32%	0.317	S	S	.	.	H	α-helix	trans	-72.6	-28	-175.6	61.7	-174.1	-80.3	0	0	112.9	R233 S234 S235 R385 A386	R233-M382 HydrophobicContact CB-CE 3.95Å; R233-M382 WeakPolarHBondContact O-CE 3.22Å; S234-M382 WeakPolarHBondContact O-CE 3.31Å; S235-M382 VanDerWaalsContact CA-SD 3.58Å; M382-R385 PolarHBondContact O-N 3.42Å; M382-A386 WeakPolarHBondContact O-CB 3.28Å; M382-A386 PolarHBondContact O-N 2.85Å
383	E	96.9	Very high	89.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-51.7	167.9	-59.1	75.5	-171.5	0	0	110.2	S234 S235 I240 T333 I339 A381 R385 A386 I387	S234-E383 WeakPolarHBondContact CA-OE1 3.46Å; S234-E383 VanDerWaalsContact CB-OE1 3.25Å; S234-E383 WeakPolarHBondContact CB-OE1 3.26Å; S235-E383 PolarHBondContact N-OE1 3.41Å; I240-E383 HydrophobicContact CD1-CB 4.07Å; I240-E383 HydrophobicContact CD1-CG 4.08Å; T333-E383 HydrophobicContact CG2-CG 4.37Å; I339-E383 HydrophobicContact CD1-CB 3.65Å; I339-E383 HydrophobicContact CD1-CG 4.04Å; I339-E383 HydrophobicContact CG1-CB 4.41Å; A381-E383 VanDerWaalsContact C-N 3.31Å; A381-E383 WeakPolarHBondContact CB-OE2 3.29Å; A381-E383 PolarHBondContact O-N 3.05Å; E383-R385 VanDerWaalsContact C-N 3.29Å; E383-R385 PolarHBondContact O-N 3.16Å; E383-A386 WeakPolarHBondContact O-CB 3.3Å; E383-A386 PolarHBondContact O-N 3.48Å; E383-A386 VanDerWaalsContact O-N 3.11Å; E383-I387 WeakPolarHBondContact O-CD1 3.41Å; E383-I387 VanDerWaalsContact O-CG1 3.26Å; E383-I387 WeakPolarHBondContact O-CG1 3.2Å; E383-I387 PolarHBondContact O-N 3.33Å
384	T	96.9	Very high	90.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-56.9	-41.5	176.4	-46.1	0	0	0	0	111.9	N342 F343 I380 A381 I387 I388	N342-T384 HydrophobicContact CB-CG2 4.29Å; N342-T384 WeakPolarHBondContact OD1-CB 3.45Å; N342-T384 PolarHBondContact OD1-OG1 2.87Å; F343-T384 HydrophobicContact CD1-CG2 4.18Å; F343-T384 HydrophobicContact CD2-CG2 3.91Å; F343-T384 HydrophobicContact CE1-CG2 4.18Å; F343-T384 HydrophobicContact CE2-CG2 3.88Å; F343-T384 HydrophobicContact CG-CG2 4.04Å; F343-T384 HydrophobicContact CZ-CG2 4Å; I380-T384 HydrophobicContact CG2-CG2 3.96Å; A381-T384 WeakPolarHBondContact O-CB 3.26Å; A381-T384 PolarHBondContact O-N 3.47Å; T384-I387 PolarHBondContact O-N 2.9Å; T384-I388 HydrophobicContact CG2-CD1 4.02Å; T384-I388 WeakPolarHBondContact O-CB 3.42Å; T384-I388 VanDerWaalsContact O-CG1 3.29Å; T384-I388 WeakPolarHBondContact O-CG1 3.45Å; T384-I388 PolarHBondContact O-N 3.38Å
385	R	95.3	Very high	91.4	Very high	88 Å²	88	53.4 Å²	53.4	33%	0.332	28%	0.283	S	S	.	.	H	α-helix	trans	-66.4	-41.2	176.5	-63.6	174.2	-168.5	-167.2	-1.4	112.3	F374 N377 I380 A381 M382 E383 I388 S389	F374-R385 HydrophobicContact CZ-CG 4.34Å; N377-R385 PolarHBondContact O-NH2 3.02Å; I380-R385 HydrophobicContact CG2-CG 3.99Å; I380-R385 PolarHBondContact O-NE 2.88Å; I380-R385 PolarHBondContact O-NH2 2.74Å; A381-R385 WeakPolarHBondContact O-CG 3.45Å; A381-R385 PolarHBondContact O-N 2.82Å; A381-R385 VanDerWaalsContact O-N 3.11Å; M382-R385 PolarHBondContact O-N 3.42Å; E383-R385 VanDerWaalsContact C-N 3.29Å; E383-R385 PolarHBondContact O-N 3.16Å; R385-I388 PolarHBondContact O-N 3.43Å; R385-S389 WeakPolarHBondContact O-CB 3.36Å; R385-S389 PolarHBondContact O-N 3.21Å
386	A	96.8	Very high	92.7	Very high	10 Å²	10	46.9 Å²	46.9	8%	0.083	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-45.6	175.3	0	0	0	0	0	111.1	I240 M382 E383 S389 W390	I240-A386 HydrophobicContact CD1-CB 4.02Å; M382-A386 WeakPolarHBondContact O-CB 3.28Å; M382-A386 PolarHBondContact O-N 2.85Å; E383-A386 WeakPolarHBondContact O-CB 3.3Å; E383-A386 PolarHBondContact O-N 3.48Å; E383-A386 VanDerWaalsContact O-N 3.11Å; A386-S389 WeakPolarHBondContact O-CB 3.15Å; A386-S389 PolarHBondContact O-N 2.93Å; A386-W390 WeakPolarHBondContact O-CB 3.37Å; A386-W390 PolarHBondContact O-N 3.15Å
387	I	97.8	Very high	93.9	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-49.9	175.1	-62.9	157.9	0	0	0	110.5	L309 I339 F343 E383 T384 S389 W390 M391 M574	L309-I387 HydrophobicContact CB-CD1 4.24Å; L309-I387 HydrophobicContact CD1-CD1 3.88Å; L309-I387 HydrophobicContact CD1-CG1 4.4Å; L309-I387 HydrophobicContact CD2-CD1 3.93Å; L309-I387 HydrophobicContact CD2-CG1 3.78Å; L309-I387 HydrophobicContact CG-CD1 4.24Å; I339-I387 HydrophobicContact CG2-CD1 3.68Å; F343-I387 HydrophobicContact CE1-CG2 4.04Å; F343-I387 HydrophobicContact CZ-CB 4.18Å; F343-I387 HydrophobicContact CZ-CD1 4.34Å; F343-I387 HydrophobicContact CZ-CG2 3.74Å; E383-I387 WeakPolarHBondContact O-CD1 3.41Å; E383-I387 VanDerWaalsContact O-CG1 3.26Å; E383-I387 WeakPolarHBondContact O-CG1 3.2Å; E383-I387 PolarHBondContact O-N 3.33Å; T384-I387 PolarHBondContact O-N 2.9Å; I387-S389 VanDerWaalsContact C-N 3.29Å; I387-S389 PolarHBondContact O-N 2.72Å; I387-W390 HydrophobicContact CG2-CE3 4.35Å; I387-W390 CarbonylContact O-C 3.17Å; I387-W390 WeakPolarHBondContact O-CB 3.26Å; I387-W390 PolarHBondContact O-N 3.4Å; I387-W390 VanDerWaalsContact O-N 3.11Å; I387-M391 HydrophobicContact CG2-CE 3.59Å; I387-M391 HydrophobicContact CG2-CG 4.09Å; I387-M391 VanDerWaalsContact O-CG 3.23Å; I387-M391 WeakPolarHBondContact O-CG 3.35Å; I387-M391 PolarHBondContact O-N 3.41Å; I387-M574 HydrophobicContact CG2-SD 4.13Å
388	I	96.5	Very high	94.9	Very high	3 Å²	3	36 Å²	36	2%	0.015	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-37.3	179.4	-72.7	170	0	0	0	112	F343 P344 I370 F374 T384 R385 K392 F577	F343-I388 HydrophobicContact CD1-CD1 3.65Å; F343-I388 HydrophobicContact CD1-CG1 3.63Å; F343-I388 HydrophobicContact CE1-CD1 3.99Å; F343-I388 HydrophobicContact CE1-CG1 3.51Å; F343-I388 HydrophobicContact CG-CD1 4.49Å; P344-I388 HydrophobicContact CG-CD1 4.39Å; I370-I388 HydrophobicContact CD1-CG2 3.91Å; F374-I388 HydrophobicContact CE1-CG2 4.44Å; F374-I388 HydrophobicContact CE2-CD1 3.67Å; F374-I388 HydrophobicContact CZ-CB 4.44Å; F374-I388 HydrophobicContact CZ-CD1 3.48Å; F374-I388 VanDerWaalsContact CZ-CD1 3.48Å; F374-I388 HydrophobicContact CZ-CG2 4.2Å; T384-I388 HydrophobicContact CG2-CD1 4.02Å; T384-I388 WeakPolarHBondContact O-CB 3.42Å; T384-I388 VanDerWaalsContact O-CG1 3.29Å; T384-I388 WeakPolarHBondContact O-CG1 3.45Å; T384-I388 PolarHBondContact O-N 3.38Å; R385-I388 PolarHBondContact O-N 3.43Å; I388-K392 WeakPolarHBondContact O-CG 2.97Å; I388-K392 PolarHBondContact O-N 3.4Å; I388-F577 HydrophobicContact CB-CE1 4.5Å; I388-F577 HydrophobicContact CB-CZ 4.37Å; I388-F577 HydrophobicContact CD1-CE1 4.48Å; I388-F577 HydrophobicContact CD1-CE2 4.26Å; I388-F577 HydrophobicContact CD1-CZ 4.1Å; I388-F577 HydrophobicContact CG1-CD1 4.44Å; I388-F577 HydrophobicContact CG1-CE1 3.79Å; I388-F577 HydrophobicContact CG1-CE2 4.4Å; I388-F577 HydrophobicContact CG1-CZ 3.76Å; I388-F577 HydrophobicContact CG2-CE1 4.39Å; I388-F577 HydrophobicContact CG2-CZ 3.87Å
389	S	96.4	Very high	95.8	Very high	78 Å²	78	30.1 Å²	30.1	55%	0.545	17%	0.166	S	C	.	.	H	α-helix	trans	-63.5	-46.5	173.6	-169.6	0	0	0	0	111.3	R385 A386 I387 K392 A393	R385-S389 WeakPolarHBondContact O-CB 3.36Å; R385-S389 PolarHBondContact O-N 3.21Å; A386-S389 WeakPolarHBondContact O-CB 3.15Å; A386-S389 PolarHBondContact O-N 2.93Å; I387-S389 VanDerWaalsContact C-N 3.29Å; I387-S389 PolarHBondContact O-N 2.72Å; S389-K392 PolarHBondContact O-N 3.22Å; S389-A393 PolarHBondContact O-N 3.16Å
390	W	97.7	Very high	96.4	Very high	9 Å²	9	27 Å²	27	3%	0.034	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-42.6	177.1	171.5	66.5	0	0	0	113.4	Y229 L231 R260 T262 H304 V306 A386 I387 K392 A393 Y394 F396	Y229-W390 AromaticContact CE2-NE1 3.89Å; Y229-W390 AromaticContact CZ-NE1 3.82Å; Y229-W390 PolarHBondContact OH-NE1 3.19Å; L231-W390 HydrophobicContact CB-CB 4.43Å; L231-W390 HydrophobicContact CD1-CG 4.46Å; L231-W390 HydrophobicContact CD2-CB 3.97Å; L231-W390 HydrophobicContact CD2-CD2 3.48Å; L231-W390 VanDerWaalsContact CD2-CD2 3.48Å; L231-W390 HydrophobicContact CD2-CE3 3.56Å; L231-W390 HydrophobicContact CD2-CG 3.69Å; L231-W390 HydrophobicContact CD2-CZ3 4.12Å; L231-W390 HydrophobicContact CG-CB 3.85Å; L231-W390 HydrophobicContact CG-CD2 3.91Å; L231-W390 HydrophobicContact CG-CE3 4.48Å; L231-W390 HydrophobicContact CG-CG 3.62Å; R260-W390 HydrophobicContact CB-CH2 3.94Å; R260-W390 HydrophobicContact CB-CZ2 4.28Å; R260-W390 VanDerWaalsContact CD-CH2 3.48Å; R260-W390 HydrophobicContact CG-CH2 4.3Å; T262-W390 HydrophobicContact CG2-CH2 3.69Å; T262-W390 HydrophobicContact CG2-CZ3 3.82Å; H304-W390 HydrophobicContact CB-CZ2 4.02Å; H304-W390 AromaticContact ND1-NE1 3.89Å; V306-W390 HydrophobicContact CG2-CH2 3.55Å; V306-W390 HydrophobicContact CG2-CZ2 3.7Å; V306-W390 HydrophobicContact CG2-CZ3 4.36Å; A386-W390 WeakPolarHBondContact O-CB 3.37Å; A386-W390 PolarHBondContact O-N 3.15Å; I387-W390 HydrophobicContact CG2-CE3 4.35Å; I387-W390 CarbonylContact O-C 3.17Å; I387-W390 WeakPolarHBondContact O-CB 3.26Å; I387-W390 PolarHBondContact O-N 3.4Å; I387-W390 VanDerWaalsContact O-N 3.11Å; W390-K392 PolarHBondContact O-N 2.99Å; W390-K392 VanDerWaalsContact O-N 3.16Å; W390-A393 WeakPolarHBondContact O-CB 3.17Å; W390-A393 PolarHBondContact O-N 2.78Å; W390-Y394 AromaticContact CD1-CD2 3.72Å; W390-Y394 AromaticContact CD1-CE2 3.69Å; W390-Y394 AromaticContact NE1-CD2 3.78Å; W390-Y394 AromaticContact NE1-CE2 3.86Å; W390-F396 HydrophobicContact CD2-CE2 4.03Å; W390-F396 HydrophobicContact CD2-CZ 4.29Å; W390-F396 AromaticContact CE2-CE2 3.68Å; W390-F396 AromaticContact CE2-CZ 3.47Å; W390-F396 VanDerWaalsContact CE2-CZ 3.47Å; W390-F396 HydrophobicContact CE3-CE2 4.48Å; W390-F396 HydrophobicContact CH2-CE2 4.44Å; W390-F396 HydrophobicContact CH2-CZ 4.2Å; W390-F396 HydrophobicContact CZ2-CE1 4.27Å; W390-F396 AromaticContact CZ2-CE2 3.92Å; W390-F396 HydrophobicContact CZ2-CE2 3.92Å; W390-F396 AromaticContact CZ2-CZ 3.43Å; W390-F396 HydrophobicContact CZ2-CZ 3.43Å; W390-F396 VanDerWaalsContact CZ2-CZ 3.43Å; W390-F396 AromaticContact NE1-CE2 3.93Å; W390-F396 AromaticContact NE1-CZ 3.63Å
391	M	97.1	Very high	96.7	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.02	14%	0.141	C	C	.	.	H	α-helix	trans	-58.9	-26.5	175.5	-65.3	-149.2	-178.2	0	0	113.1	R260 F343 I387 M574 F577 T582	R260-M391 PolarHBondContact NH2-SD 2.95Å; R260-M391 VanDerWaalsContact NH2-SD 3.39Å; F343-M391 HydrophobicContact CE1-CE 4.09Å; F343-M391 HydrophobicContact CZ-CE 4.37Å; I387-M391 HydrophobicContact CG2-CE 3.59Å; I387-M391 HydrophobicContact CG2-CG 4.09Å; I387-M391 VanDerWaalsContact O-CG 3.23Å; I387-M391 WeakPolarHBondContact O-CG 3.35Å; I387-M391 PolarHBondContact O-N 3.41Å; M391-M574 HydrophobicContact CE-CG 3.43Å; M391-M574 VanDerWaalsContact CE-CG 3.43Å; M391-M574 HydrophobicContact CE-SD 3.76Å; M391-F577 HydrophobicContact SD-CD1 3.92Å; M391-F577 HydrophobicContact SD-CE1 4.02Å; M391-T582 HydrophobicContact CB-CG2 4.25Å
392	K	94.8	Very high	96.9	Very high	116 Å²	116	26.2 Å²	26.2	50%	0.504	14%	0.14	S	C	.	.	H	α-helix	trans	-87.7	-19.9	176.4	-69.1	169.2	175.2	177.6	0	113.6	I388 S389 W390 H581	I388-K392 WeakPolarHBondContact O-CG 2.97Å; I388-K392 PolarHBondContact O-N 3.4Å; S389-K392 PolarHBondContact O-N 3.22Å; W390-K392 PolarHBondContact O-N 2.99Å; W390-K392 VanDerWaalsContact O-N 3.16Å; K392-H581 WeakPolarHBondContact CE-NE2 3.48Å
393	A	95.1	Very high	97.1	Very high	67 Å²	67	22.7 Å²	22.7	55%	0.554	12%	0.122	S	C	*	.	H	α-helix	trans	-79.4	-27.8	-173.8	0	0	0	0	0	113.1	S389 W390	S389-A393 PolarHBondContact O-N 3.16Å; W390-A393 WeakPolarHBondContact O-CB 3.17Å; W390-A393 PolarHBondContact O-N 2.78Å
394	Y	95.7	Very high	96.9	Very high	61 Å²	61	23 Å²	23	24%	0.239	13%	0.126	C	C	.	.	S	Bend	trans	-124.8	141.1	-177.3	-59.5	-82.9	0	0	0	111.2	H304 W390 F396	H304-Y394 AromaticContact CE1-CD1 3.76Å; H304-Y394 AromaticContact CE1-CD2 3.98Å; H304-Y394 AromaticContact CE1-CE1 3.68Å; H304-Y394 AromaticContact CE1-CE2 3.88Å; H304-Y394 AromaticContact CE1-CG 3.93Å; H304-Y394 AromaticContact CE1-CZ 3.73Å; H304-Y394 AromaticContact NE2-CD1 3.95Å; W390-Y394 AromaticContact CD1-CD2 3.72Å; W390-Y394 AromaticContact CD1-CE2 3.69Å; W390-Y394 AromaticContact NE1-CD2 3.78Å; W390-Y394 AromaticContact NE1-CE2 3.86Å; Y394-F396 HydrophobicContact CD2-CE2 4.15Å; Y394-F396 HydrophobicContact CD2-CZ 4.05Å; Y394-F396 HydrophobicContact CG-CE2 4.33Å; Y394-F396 HydrophobicContact CG-CZ 4.14Å; Y394-F396 PolarHBondContact O-N 3.46Å
395	P	95.9	Very high	96.6	Very high	27 Å²	27	23.3 Å²	23.3	18%	0.175	13%	0.129	C	C	.	.			trans	-76.5	59.4	178.1	33	-37.7	0	0	0	112.7	E258 V397 A653	E258-P395 HydrophobicContact CG-CG 3.75Å; P395-V397 PolarHBondContact O-N 2.77Å; P395-A653 HydrophobicContact CB-CB 3.67Å; P395-A653 HydrophobicContact CG-CB 3.83Å
396	F	98.2	Very high	96.4	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.013	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	133	179.1	-70	-61.3	0	0	0	112.7	E258 R260 H304 W390 Y394 N583 C584	E258-F396 HydrophobicContact CB-CD1 3.85Å; E258-F396 HydrophobicContact CB-CE1 4.32Å; R260-F396 HydrophobicContact CB-CD1 4.04Å; R260-F396 HydrophobicContact CB-CE1 3.84Å; R260-F396 HydrophobicContact CB-CZ 4.4Å; R260-F396 HydrophobicContact CG-CD1 4.19Å; R260-F396 HydrophobicContact CG-CE1 4.4Å; H304-F396 HydrophobicContact CB-CE1 3.92Å; H304-F396 HydrophobicContact CB-CZ 4.21Å; H304-F396 AromaticContact CD2-CE1 3.81Å; H304-F396 AromaticContact CG-CE1 3.73Å; H304-F396 AromaticContact CG-CZ 3.93Å; W390-F396 HydrophobicContact CD2-CE2 4.03Å; W390-F396 HydrophobicContact CD2-CZ 4.29Å; W390-F396 AromaticContact CE2-CE2 3.68Å; W390-F396 AromaticContact CE2-CZ 3.47Å; W390-F396 VanDerWaalsContact CE2-CZ 3.47Å; W390-F396 HydrophobicContact CE3-CE2 4.48Å; W390-F396 HydrophobicContact CH2-CE2 4.44Å; W390-F396 HydrophobicContact CH2-CZ 4.2Å; W390-F396 HydrophobicContact CZ2-CE1 4.27Å; W390-F396 AromaticContact CZ2-CE2 3.92Å; W390-F396 HydrophobicContact CZ2-CE2 3.92Å; W390-F396 AromaticContact CZ2-CZ 3.43Å; W390-F396 HydrophobicContact CZ2-CZ 3.43Å; W390-F396 VanDerWaalsContact CZ2-CZ 3.43Å; W390-F396 AromaticContact NE1-CE2 3.93Å; W390-F396 AromaticContact NE1-CZ 3.63Å; Y394-F396 HydrophobicContact CD2-CE2 4.15Å; Y394-F396 HydrophobicContact CD2-CZ 4.05Å; Y394-F396 HydrophobicContact CG-CE2 4.33Å; Y394-F396 HydrophobicContact CG-CZ 4.14Å; Y394-F396 PolarHBondContact O-N 3.46Å; F396-N583 CarbonylContact O-C 3.26Å; F396-C584 HydrophobicContact CB-CB 3.64Å; F396-C584 WeakPolarHBondContact O-CA 3.28Å; F396-C584 WeakPolarHBondContact O-CB 3.46Å; F396-C584 PolarHBondContact O-N 3.27Å
397	V	98.3	Very high	96.1	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.03	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-45.9	-177.6	-179.5	0	0	0	0	111.4	P257 E258 P395 Y585 V620 W659 L661	P257-V397 HydrophobicContact CB-CB 4.41Å; P257-V397 HydrophobicContact CB-CG2 3.97Å; E258-V397 PolarHBondContact O-N 3.31Å; P395-V397 PolarHBondContact O-N 2.77Å; V397-Y585 PolarHBondContact O-N 3.32Å; V397-Y585 VanDerWaalsContact O-N 3.09Å; V397-V620 HydrophobicContact CB-CG2 3.84Å; V397-V620 HydrophobicContact CG1-CG2 3.87Å; V397-W659 HydrophobicContact CB-CB 4.41Å; V397-W659 HydrophobicContact CG1-CB 3.65Å; V397-W659 HydrophobicContact CG1-CG 4.3Å; V397-W659 HydrophobicContact CG2-CB 3.8Å; V397-W659 HydrophobicContact CG2-CD2 3.67Å; V397-W659 HydrophobicContact CG2-CE3 3.57Å; V397-W659 HydrophobicContact CG2-CG 3.77Å; V397-W659 HydrophobicContact CG2-CZ3 4.44Å; V397-L661 HydrophobicContact CG1-CD1 4.33Å; V397-L661 HydrophobicContact CG1-CD2 4.04Å; V397-L661 HydrophobicContact CG1-CG 4.04Å
398	L	98.7	Very high	95.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.5	-178	-177	66.3	0	0	0	109.4	F259 R260 L531 Y585 F616 Q619 V620 L661	F259-L398 WeakPolarHBondContact CA-O 3.5Å; F259-L398 HydrophobicContact CD2-CB 4.03Å; F259-L398 HydrophobicContact CD2-CD2 4.26Å; F259-L398 HydrophobicContact CD2-CG 4.19Å; F259-L398 VanDerWaalsContact CD2-O 3.32Å; F259-L398 WeakPolarHBondContact CD2-O 3.35Å; F259-L398 HydrophobicContact CE2-CB 4.32Å; F259-L398 HydrophobicContact CE2-CD2 4.02Å; F259-L398 HydrophobicContact CE2-CG 3.97Å; R260-L398 PolarHBondContact N-O 2.92Å; R260-L398 VanDerWaalsContact N-O 3.08Å; L398-L531 HydrophobicContact CD1-CD1 3.79Å; L398-L531 HydrophobicContact CD1-CD2 4.05Å; L398-L531 HydrophobicContact CD2-CD2 4.31Å; L398-Y585 CarbonylContact C-O 3.54Å; L398-Y585 WeakPolarHBondContact CA-O 3.02Å; L398-F616 HydrophobicContact CD1-CE1 4.43Å; L398-F616 HydrophobicContact CD1-CE2 4.35Å; L398-F616 HydrophobicContact CD1-CZ 3.79Å; L398-F616 HydrophobicContact CD2-CE1 4.2Å; L398-F616 HydrophobicContact CD2-CE2 4.48Å; L398-F616 HydrophobicContact CD2-CZ 4.13Å; L398-F616 HydrophobicContact CG-CE1 4.06Å; L398-F616 HydrophobicContact CG-CZ 3.93Å; L398-Q619 HydrophobicContact CD2-CB 3.94Å; L398-V620 HydrophobicContact CB-CB 4.15Å; L398-V620 HydrophobicContact CB-CG2 3.77Å; L398-V620 HydrophobicContact CD2-CB 4.08Å; L398-L661 HydrophobicContact CB-CD1 4.25Å; L398-L661 HydrophobicContact CD1-CD1 4.05Å
399	G	98.2	Very high	95.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	178	166.9	0	0	0	0	0	113.6	R260 Y585 E586 L587 F616	R260-G399 CarbonylContact O-C 3.59Å; R260-G399 WeakPolarHBondContact O-CA 3.21Å; G399-Y585 PolarHBondContact N-O 3.32Å; G399-E586 WeakPolarHBondContact O-CA 3.49Å; G399-L587 PolarHBondContact O-N 3.42Å; G399-F616 WeakPolarHBondContact O-CZ 3.04Å
400	A	98.5	Very high	95.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	153.2	167.3	0	0	0	0	0	111.2	R260 F261 T262 L587 I589 F616	R260-A400 PolarHBondContact O-N 2.86Å; R260-A400 VanDerWaalsContact O-N 3.09Å; F261-A400 WeakPolarHBondContact CA-O 3.26Å; F261-A400 HydrophobicContact CD1-CB 4.07Å; F261-A400 HydrophobicContact CE1-CB 4.05Å; T262-A400 PolarHBondContact N-O 3.43Å; T262-A400 PolarHBondContact OG1-O 3.45Å; A400-L587 CarbonylContact C-O 3.22Å; A400-L587 VanDerWaalsContact CA-O 3.25Å; A400-L587 WeakPolarHBondContact CA-O 3.44Å; A400-L587 HydrophobicContact CB-CB 4.32Å; A400-I589 HydrophobicContact CB-CD1 3.52Å; A400-I589 HydrophobicContact CB-CG1 4.16Å; A400-F616 HydrophobicContact CB-CE1 3.76Å; A400-F616 HydrophobicContact CB-CZ 4.09Å
401	N	98.3	Very high	95.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.2	165.6	53.7	89.8	0	0	0	110.7	T262 L265 Q403 M574 N575 L587 S588 I589	T262-N401 CarbonylContact O-C 3.57Å; T262-N401 WeakPolarHBondContact O-CA 3.22Å; T262-N401 WeakPolarHBondContact OG1-CA 3.36Å; T262-N401 VanDerWaalsContact OG1-CB 3.29Å; T262-N401 WeakPolarHBondContact OG1-CB 3.19Å; L265-N401 HydrophobicContact CD1-CB 3.68Å; N401-Q403 PolarHBondContact OD1-NE2 2.75Å; N401-M574 HydrophobicContact CB-CE 3.63Å; N401-N575 PolarHBondContact ND2-OD1 3.18Å; N401-L587 PolarHBondContact N-O 2.88Å; N401-L587 PolarHBondContact ND2-O 2.68Å; N401-S588 WeakPolarHBondContact O-CA 3.49Å; N401-S588 WeakPolarHBondContact OD1-CA 3.5Å; N401-S588 WeakPolarHBondContact OD1-CB 3.42Å; N401-S588 PolarHBondContact OD1-OG 2.71Å; N401-I589 PolarHBondContact O-N 2.75Å
402	F	98.6	Very high	95.6	Very high	1 Å²	1	17 Å²	17	0%	0.004	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132.6	174	-62.2	-59.5	0	0	0	110.8	F261 T262 A263 I276 Y535 I589 L591 M613	F261-F402 HydrophobicContact CB-CE2 3.93Å; F261-F402 HydrophobicContact CD1-CE1 4.47Å; F261-F402 AromaticContact CD1-CE2 3.59Å; F261-F402 HydrophobicContact CD1-CE2 3.59Å; F261-F402 AromaticContact CD1-CZ 3.48Å; F261-F402 HydrophobicContact CD1-CZ 3.48Å; F261-F402 VanDerWaalsContact CD1-CZ 3.48Å; F261-F402 HydrophobicContact CD2-CE2 4.36Å; F261-F402 HydrophobicContact CD2-CZ 4.45Å; F261-F402 HydrophobicContact CE1-CE1 4.35Å; F261-F402 HydrophobicContact CE1-CE2 4.12Å; F261-F402 AromaticContact CE1-CZ 3.52Å; F261-F402 HydrophobicContact CE1-CZ 3.52Å; F261-F402 HydrophobicContact CE2-CZ 4.49Å; F261-F402 AromaticContact CG-CE2 3.73Å; F261-F402 HydrophobicContact CG-CE2 3.73Å; F261-F402 AromaticContact CG-CZ 3.99Å; F261-F402 HydrophobicContact CG-CZ 3.99Å; F261-F402 HydrophobicContact CZ-CZ 4.06Å; T262-F402 PolarHBondContact O-N 3.11Å; A263-F402 HydrophobicContact CB-CB 4.14Å; A263-F402 HydrophobicContact CB-CD2 4.33Å; I276-F402 HydrophobicContact CD1-CD2 3.96Å; I276-F402 HydrophobicContact CD1-CE2 4.15Å; I276-F402 HydrophobicContact CG1-CD2 4.03Å; I276-F402 HydrophobicContact CG1-CE2 3.94Å; F402-Y535 HydrophobicContact CE1-CE2 4.21Å; F402-I589 WeakPolarHBondContact CA-O 3.45Å; F402-I589 HydrophobicContact CD1-CB 3.88Å; F402-I589 HydrophobicContact CD1-CD1 4.36Å; F402-I589 HydrophobicContact CD1-CG2 3.97Å; F402-I589 HydrophobicContact CE1-CB 4.16Å; F402-I589 HydrophobicContact CE1-CD1 3.82Å; F402-I589 HydrophobicContact CE1-CG2 4.11Å; F402-L591 HydrophobicContact CB-CD1 3.83Å; F402-L591 HydrophobicContact CB-CG 4.48Å; F402-L591 HydrophobicContact CD1-CD1 4.09Å; F402-L591 HydrophobicContact CD1-CD2 3.84Å; F402-L591 HydrophobicContact CD1-CG 4.19Å; F402-L591 HydrophobicContact CE1-CD2 4.3Å; F402-L591 HydrophobicContact CG-CD1 4.14Å; F402-M613 HydrophobicContact CE2-CE 3.76Å; F402-M613 HydrophobicContact CZ-CE 3.74Å; F402-M613 HydrophobicContact CZ-CG 4.07Å; F402-M613 HydrophobicContact CZ-SD 4.47Å
403	Q	96.7	Very high	95.6	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.019	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	171.7	179.1	-69.6	-175.4	45.6	0	0	110	L265 E269 N401 S588 I589 F590 L591	L265-Q403 HydrophobicContact CD1-CG 4.31Å; E269-Q403 VanDerWaalsContact OE2-CA 3.28Å; E269-Q403 WeakPolarHBondContact OE2-CA 3.44Å; E269-Q403 VanDerWaalsContact OE2-CB 3.31Å; E269-Q403 WeakPolarHBondContact OE2-CB 3.4Å; N401-Q403 PolarHBondContact OD1-NE2 2.75Å; Q403-S588 PolarHBondContact NE2-OG 3.02Å; Q403-I589 PolarHBondContact N-O 3.28Å; Q403-F590 HydrophobicContact CB-CD1 3.6Å; Q403-F590 HydrophobicContact CB-CE1 3.46Å; Q403-F590 VanDerWaalsContact CB-CE1 3.46Å; Q403-F590 HydrophobicContact CB-CG 4.23Å; Q403-F590 HydrophobicContact CB-CZ 3.97Å; Q403-F590 HydrophobicContact CG-CE1 4.21Å; Q403-F590 HydrophobicContact CG-CZ 4.35Å; Q403-F590 WeakPolarHBondContact O-CA 3.26Å; Q403-L591 PolarHBondContact O-N 3.04Å
404	G	93.5	Very high	95.6	Very high	8 Å²	8	8.7 Å²	8.7	8%	0.082	5%	0.05	C	C	.	.			trans	-131.8	173.8	179.2	0	0	0	0	0	113.2	E269	E269-G404 VanDerWaalsContact CD-N 3.32Å; E269-G404 PolarHBondContact OE2-N 3.31Å
405	G	90.9	Very high	95.5	Very high	5 Å²	5	6 Å²	6	5%	0.052	4%	0.04	C	C	.	.	S	Bend	trans	91.6	8	-178.1	0	0	0	0	0	115.2	W327 H551 G592 C593	W327-G405 VanDerWaalsContact CH2-CA 3.4Å; G405-H551 PolarHBondContact O-NE2 2.85Å; G405-G592 CarbonylContact C-O 3.57Å; G405-G592 WeakPolarHBondContact CA-O 3.1Å; G405-G592 PolarHBondContact N-O 3.07Å; G405-C593 WeakPolarHBondContact CA-O 3.46Å
406	E	90.3	Very high	95.3	Very high	5 Å²	5	8.9 Å²	8.9	2%	0.023	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	164	171.3	-167.4	59.3	-93.1	0	0	109.2	I408 S549 C550 W567 F590 L591 G592	E406-I408 HydrophobicContact CB-CG2 4.12Å; E406-I408 HydrophobicContact CG-CB 4.08Å; E406-I408 HydrophobicContact CG-CG2 3.54Å; E406-S549 VanDerWaalsContact OE1-CA 3.26Å; E406-S549 WeakPolarHBondContact OE1-CA 3.21Å; E406-S549 PolarHBondContact OE1-OG 2.92Å; E406-S549 VanDerWaalsContact OE2-CB 3.27Å; E406-S549 WeakPolarHBondContact OE2-CB 3.23Å; E406-S549 PolarHBondContact OE2-OG 3.32Å; E406-C550 PolarHBondContact OE1-N 3.33Å; E406-C550 PolarHBondContact OE1-SG 3.15Å; E406-W567 HydrophobicContact CB-CH2 3.67Å; E406-W567 HydrophobicContact CB-CZ2 4.08Å; E406-W567 HydrophobicContact CG-CH2 3.56Å; E406-W567 HydrophobicContact CG-CZ2 3.69Å; E406-F590 HydrophobicContact CB-CB 3.91Å; E406-F590 HydrophobicContact CB-CD1 4.34Å; E406-F590 HydrophobicContact CB-CG 4.23Å; E406-F590 CarbonylContact O-C 3.5Å; E406-F590 WeakPolarHBondContact O-CB 3.33Å; E406-L591 PolarHBondContact O-N 3.1Å; E406-G592 PolarHBondContact N-O 2.78Å; E406-G592 CarbonylContact O-C 3.53Å; E406-G592 WeakPolarHBondContact O-CA 3.37Å; E406-G592 PolarHBondContact O-N 3.37Å; E406-G592 VanDerWaalsContact O-O 3.07Å
407	A	90.4	Very high	94.7	Very high	35 Å²	35	12 Å²	12	29%	0.289	7%	0.065	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	81.6	170	0	0	0	0	0	111.2	F590	A407-F590 WeakPolarHBondContact CA-O 3.42Å
408	I	92.1	Very high	94	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.01	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	149.6	-172.1	-161.2	172.3	0	0	0	113.4	E406 P555 A556 V562 W567 F590	E406-I408 HydrophobicContact CB-CG2 4.12Å; E406-I408 HydrophobicContact CG-CB 4.08Å; E406-I408 HydrophobicContact CG-CG2 3.54Å; I408-P555 HydrophobicContact CD1-CB 4.48Å; I408-P555 HydrophobicContact CD1-CG 4.21Å; I408-A556 HydrophobicContact CD1-CB 3.5Å; I408-A556 HydrophobicContact CG1-CB 3.99Å; I408-V562 HydrophobicContact CD1-CB 3.72Å; I408-V562 HydrophobicContact CD1-CG1 3.53Å; I408-V562 HydrophobicContact CG1-CG1 4.29Å; I408-W567 HydrophobicContact CG2-CE3 4.39Å; I408-W567 HydrophobicContact CG2-CH2 3.81Å; I408-W567 HydrophobicContact CG2-CZ3 3.61Å; I408-F590 HydrophobicContact CG2-CB 4.04Å; I408-F590 HydrophobicContact CG2-CD2 3.86Å; I408-F590 HydrophobicContact CG2-CG 4.17Å; I408-F590 PolarHBondContact N-O 3.11Å; I408-F590 WeakPolarHBondContact O-CB 3.41Å; I408-F590 PolarHBondContact O-N 2.8Å
409	V	95.3	Very high	92.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.7	166.3	-170.2	0	0	0	0	111.3	A532 Y535 A536 M542 G560 M561 V562 L587 I589	V409-A532 HydrophobicContact CB-CB 4.17Å; V409-A532 HydrophobicContact CG1-CB 3.75Å; V409-Y535 HydrophobicContact CG2-CD1 3.93Å; V409-Y535 HydrophobicContact CG2-CG 4.43Å; V409-A536 HydrophobicContact CG2-CB 4Å; V409-M542 HydrophobicContact CG2-SD 3.59Å; V409-M542 VanDerWaalsContact CG2-SD 3.59Å; V409-G560 PolarHBondContact N-O 3.34Å; V409-M561 HydrophobicContact CB-CB 4.48Å; V409-M561 CarbonylContact O-C 3.35Å; V409-M561 WeakPolarHBondContact O-CA 3.42Å; V409-V562 PolarHBondContact O-N 3.02Å; V409-L587 HydrophobicContact CG1-CB 4.33Å; V409-L587 HydrophobicContact CG1-CD1 3.82Å; V409-I589 HydrophobicContact CG1-CG1 4.14Å; V409-I589 HydrophobicContact CG2-CG1 4.45Å
410	A	94.8	Very high	90.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.5	175.8	0	0	0	0	0	111.5	V562 R564 S588 F590	A410-V562 VanDerWaalsContact CA-O 3.3Å; A410-V562 WeakPolarHBondContact CA-O 3.3Å; A410-V562 HydrophobicContact CB-CG1 4.25Å; A410-R564 HydrophobicContact CB-CB 4.15Å; A410-S588 PolarHBondContact N-O 2.67Å; A410-S588 PolarHBondContact O-N 3.22Å; A410-F590 HydrophobicContact CB-CD2 4.41Å; A410-F590 HydrophobicContact CB-CE2 3.95Å
411	Y	96.3	Very high	88.3	Confident	18 Å²	18	28.9 Å²	28.9	7%	0.071	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	149.1	-179.3	67.4	-95.3	0	0	0	113.9	E525 F528 R529 A532 M561 V562 N563 R564	Y411-E525 HydrophobicContact CE2-CG 4.43Å; Y411-F528 HydrophobicContact CD2-CB 3.95Å; Y411-F528 HydrophobicContact CG-CB 4.29Å; Y411-R529 HydrophobicContact CD2-CG 4.49Å; Y411-R529 HydrophobicContact CE1-CG 3.8Å; Y411-R529 HydrophobicContact CE2-CG 3.79Å; Y411-R529 VanDerWaalsContact CZ-CG 3.4Å; Y411-R529 WeakPolarHBondContact OH-CD 3.18Å; Y411-R529 WeakPolarHBondContact OH-CG 3.39Å; Y411-A532 HydrophobicContact CD1-CB 4.04Å; Y411-M561 HydrophobicContact CE1-SD 4.07Å; Y411-V562 WeakPolarHBondContact CD1-O 3.09Å; Y411-V562 WeakPolarHBondContact CE1-O 3.42Å; Y411-V562 PolarHBondContact N-O 2.82Å; Y411-N563 HydrophobicContact CD2-CB 4.38Å; Y411-N563 HydrophobicContact CE1-CB 4.39Å; Y411-N563 HydrophobicContact CE2-CB 3.75Å; Y411-N563 WeakPolarHBondContact O-CA 3.48Å; Y411-N563 PolarHBondContact O-ND2 3.03Å; Y411-N563 VanDerWaalsContact O-ND2 3.12Å; Y411-R564 PolarHBondContact O-N 3.49Å
412	P	96.3	Very high	85.5	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.006	19%	0.188	C	C	.	.	S	Bend	trans	-55.6	155.3	-179.7	-33.7	39.8	0	0	0	116.5	T522 F528 N563 N575 E586	P412-T522 HydrophobicContact CB-CG2 3.88Å; P412-F528 HydrophobicContact CB-CE1 4.45Å; P412-F528 HydrophobicContact CB-CE2 4.49Å; P412-F528 HydrophobicContact CB-CZ 4.27Å; P412-F528 HydrophobicContact CG-CD1 4.4Å; P412-F528 HydrophobicContact CG-CE1 3.88Å; P412-F528 HydrophobicContact CG-CZ 4.04Å; P412-N563 PolarHBondContact O-ND2 2.89Å; P412-N575 HydrophobicContact CG-CB 3.86Å; P412-E586 WeakPolarHBondContact CD-O 3.47Å
413	Y	95.8	Very high	82.6	Confident	7 Å²	7	41.6 Å²	41.6	3%	0.027	23%	0.226	C	C	.	.			cis	-74.5	149.2	-2.7	-71.8	-63.5	0	0	0	112.3	N347 W351 T522 N563 A565 D576 Y579 L580	N347-Y413 WeakPolarHBondContact ND2-CD1 3.33Å; W351-Y413 HydrophobicContact CZ2-CD2 4.11Å; W351-Y413 HydrophobicContact CZ2-CE2 4.41Å; W351-Y413 HydrophobicContact CZ2-CG 4.2Å; Y413-T522 HydrophobicContact CD1-CG2 3.92Å; Y413-T522 HydrophobicContact CD2-CG2 3.69Å; Y413-T522 HydrophobicContact CE1-CG2 3.89Å; Y413-T522 HydrophobicContact CE2-CG2 3.66Å; Y413-T522 HydrophobicContact CG-CG2 3.82Å; Y413-N563 PolarHBondContact N-ND2 3.13Å; Y413-N563 PolarHBondContact O-ND2 3.09Å; Y413-A565 VanDerWaalsContact O-CB 3.22Å; Y413-A565 WeakPolarHBondContact O-CB 3.46Å; Y413-A565 PolarHBondContact O-N 3.4Å; Y413-D576 WeakPolarHBondContact CA-OD1 3.4Å; Y413-Y579 HydrophobicContact CE1-CD1 4.06Å; Y413-Y579 HydrophobicContact CE1-CE1 4.29Å; Y413-L580 HydrophobicContact CE1-CD1 4.25Å; Y413-L580 HydrophobicContact CE1-CD2 4.03Å; Y413-L580 HydrophobicContact CE1-CG 4.25Å
414	D	95.4	Very high	79.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.259	C	S	.	.			trans	-88.3	-35.1	172.1	-59.3	-12.1	0	0	0	111.2	F340 R564 A565 P569 V570 S573 N575 D576	F340-D414 WeakPolarHBondContact CZ-OD2 3.12Å; D414-R564 HydrophobicContact CB-CB 4.12Å; D414-R564 HydrophobicContact CB-CG 3.73Å; D414-R564 WeakPolarHBondContact OD1-CB 3.42Å; D414-R564 WeakPolarHBondContact OD1-CG 3.33Å; D414-A565 WeakPolarHBondContact O-CA 3.11Å; D414-P569 CarbonylContact O-C 3.41Å; D414-P569 VanDerWaalsContact O-CA 3.27Å; D414-P569 WeakPolarHBondContact O-CA 3.44Å; D414-V570 CarbonylContact C-O 3.53Å; D414-V570 VanDerWaalsContact C-O 3.26Å; D414-V570 HydrophobicContact CB-CB 4.46Å; D414-V570 PolarHBondContact O-N 3.2Å; D414-S573 WeakPolarHBondContact CB-OG 3.06Å; D414-S573 VanDerWaalsContact CG-OG 3.29Å; D414-S573 WeakPolarHBondContact OD2-CB 3.39Å; D414-S573 PolarHBondContact OD2-OG 3.26Å; D414-N575 PolarHBondContact OD1-ND2 2.91Å; D414-N575 WeakPolarHBondContact OD2-CB 3.36Å; D414-N575 PolarHBondContact OD2-ND2 3.46Å; D414-D576 VanDerWaalsContact N-CG 3.34Å; D414-D576 PolarHBondContact N-OD1 3.4Å; D414-D576 PolarHBondContact N-OD2 3.28Å
415	S	93.2	Very high	76.9	Confident	6 Å²	6	55.3 Å²	55.3	4%	0.042	30%	0.299	C	S	.	.	S	Bend	trans	-74.9	133.5	175.6	-178	0	0	0	0	111.8	W351 V570 D576	W351-S415 WeakPolarHBondContact CH2-O 3.42Å; S415-V570 WeakPolarHBondContact CA-O 3.42Å; S415-V570 PolarHBondContact N-O 2.91Å; S415-V570 VanDerWaalsContact N-O 3.11Å; S415-D576 PolarHBondContact N-OD2 3.33Å
416	L	91.1	Very high	74	Confident	86 Å²	86	61.6 Å²	61.6	45%	0.45	33%	0.327	S	S	.	.			trans	-88.4	121.5	179.4	177.3	62.2	0	0	0	112.1	L418 P519 A565 P569	L416-L418 HydrophobicContact CD1-CD2 4.12Å; L416-P519 HydrophobicContact CD1-CB 3.62Å; L416-A565 HydrophobicContact CB-CB 4.32Å; L416-A565 HydrophobicContact CD1-CB 4.48Å; L416-P569 HydrophobicContact CB-CB 3.5Å; L416-P569 VanDerWaalsContact CB-CB 3.5Å; L416-P569 HydrophobicContact CB-CG 4.17Å; L416-P569 HydrophobicContact CD2-CB 4.44Å; L416-P569 HydrophobicContact CD2-CG 4.23Å
417	R	85.8	Confident	71.1	Confident	68 Å²	68	67.3 Å²	67.3	26%	0.257	37%	0.368	S	S	.	.			trans	-141.3	130.5	161.8	178	170.6	167.2	160.3	-4.8	109.4	W351 D355 R520	W351-R417 HydrophobicContact CD2-CB 4.43Å; W351-R417 HydrophobicContact CE3-CB 3.77Å; W351-R417 HydrophobicContact CE3-CG 4.2Å; W351-R417 HydrophobicContact CH2-CB 3.74Å; W351-R417 HydrophobicContact CZ2-CB 4.44Å; W351-R417 HydrophobicContact CZ3-CB 3.39Å; W351-R417 HydrophobicContact CZ3-CG 4.3Å; D355-R417 IonicContact OD1-CZ 2.72Å; D355-R417 IonicContact OD1-NH2 3.69Å; D355-R417 PolarHBondContact OD1-NH2 2.97Å; D355-R417 IonicContact OD2-CZ 3.62Å; D355-R417 VanDerWaalsContact OD2-CZ 3.28Å; D355-R417 IonicContact OD2-NH1 2.79Å; D355-R417 PolarHBondContact OD2-NH1 3.45Å; D355-R417 IonicContact OD2-NH2 3.95Å; D355-R417 PolarHBondContact OD2-NH2 3.02Å; R417-R520 WeakPolarHBondContact O-CB 3.5Å; R417-R520 PolarHBondContact O-N 3.32Å
418	L	83.3	Confident	68.3	Low	56 Å²	56	75.7 Å²	75.7	29%	0.293	39%	0.392	S	S	.	.	B	Isolated β-bridge	trans	-78.9	152.9	176.5	-58.5	-179.8	0	0	0	111.2	L416 K420 D517	L416-L418 HydrophobicContact CD1-CD2 4.12Å; L418-K420 WeakPolarHBondContact CB-O 3.41Å; L418-K420 PolarHBondContact O-N 3.29Å; L418-D517 WeakPolarHBondContact CD2-O 3.46Å
419	N	70.8	Confident	65.3	Low	62 Å²	62	80.8 Å²	80.8	33%	0.332	43%	0.428	S	S	.	.	S	Bend	trans	-63.8	-13.7	-176.8	-74.9	-10.5	0	0	0	114.3	E514 E518 R520	N419-E514 PolarHBondContact ND2-OE2 2.02Å; N419-E518 PolarHBondContact N-O 3.03Å; N419-R520 WeakPolarHBondContact OD1-CA 3.41Å
420	K	59.8	Low	62.2	Low	126 Å²	126	92.4 Å²	92.4	55%	0.548	47%	0.471	S	S	.	.	S	Bend	trans	-140.3	152.3	159.6	-67.6	179.9	-162.1	126.3	0	109.6	L418 A422 E516	L418-K420 WeakPolarHBondContact CB-O 3.41Å; L418-K420 PolarHBondContact O-N 3.29Å; K420-A422 PolarHBondContact O-N 3.01Å; K420-E516 IonicContact NZ-OE1 3.69Å; K420-E516 PolarHBondContact NZ-OE1 3.48Å
421	P	46.2	Very low	59.1	Low	117 Å²	117	102.1 Å²	102.1	76%	0.76	51%	0.514	S	S	*	.			trans	-62	135.6	171.2	26.9	-34.3	0	0	0	110.3	K423	P421-K423 PolarHBondContact O-N 2.87Å
422	A	39.2	Very low	55.8	Low	83 Å²	83	109.6 Å²	109.6	69%	0.686	55%	0.547	S	S	*	.			trans	-50.6	133.4	169.2	0	0	0	0	0	109.4	K420 S424	K420-A422 PolarHBondContact O-N 3.01Å; A422-S424 VanDerWaalsContact C-N 3.3Å; A422-S424 PolarHBondContact O-N 2.9Å
423	K	37.5	Very low	52.5	Low	185 Å²	185	119.6 Å²	119.6	80%	0.804	58%	0.584	S	S	*	*			trans	-70	87.9	-179.7	-69.9	174.2	-170.1	134.6	0	109.1	P421 E425	P421-K423 PolarHBondContact O-N 2.87Å; K423-E425 PolarHBondContact O-N 2.91Å
424	S	34.8	Very low	49.1	Very low	102 Å²	102	127.2 Å²	127.2	71%	0.713	62%	0.62	S	S	*	*			trans	-58.6	130.9	171.1	55.9	0	0	0	0	109.8	A422 Q426	A422-S424 VanDerWaalsContact C-N 3.3Å; A422-S424 PolarHBondContact O-N 2.9Å; S424-Q426 VanDerWaalsContact C-N 3.32Å; S424-Q426 PolarHBondContact O-N 2.67Å
425	E	36.3	Very low	46	Very low	197 Å²	197	137.6 Å²	137.6	92%	0.921	66%	0.661	S	S	*	*			trans	-69.6	86.6	-178.9	-65.3	-168.6	123.8	0	0	110.7	K423	K423-E425 PolarHBondContact O-N 2.91Å
426	Q	30.6	Very low	42.8	Very low	137 Å²	137	146.1 Å²	146.1	64%	0.64	70%	0.7	S	S	*	*			trans	-114.1	97.6	160.5	-70.8	-158.8	8.3	0	0	110.4	S424 R428	S424-Q426 VanDerWaalsContact C-N 3.32Å; S424-Q426 PolarHBondContact O-N 2.67Å; Q426-R428 PolarHBondContact O-N 2.84Å
427	S	29.4	Very low	39.8	Very low	125 Å²	125	149.5 Å²	149.5	87%	0.874	72%	0.719	S	S	*	*			trans	-67.3	61.1	171	55.1	0	0	0	0	112.4	S429	S427-S429 VanDerWaalsContact C-N 3.3Å; S427-S429 PolarHBondContact O-N 2.68Å
428	R	30.2	Very low	36.9	Very low	212 Å²	212	155.3 Å²	155.3	80%	0.8	75%	0.749	S	S	*	*			trans	-77.1	85.2	171.7	-73.6	-168.7	177.8	-157.7	-3.5	110.8	Q426 R430	Q426-R428 PolarHBondContact O-N 2.84Å; R428-R430 PolarHBondContact O-N 2.84Å
429	S	28.6	Very low	34.1	Very low	108 Å²	108	155.9 Å²	155.9	76%	0.755	77%	0.768	S	S	*	*			trans	-44.3	126.6	172	-177.1	0	0	0	0	112.3	S427 K431	S427-S429 VanDerWaalsContact C-N 3.3Å; S427-S429 PolarHBondContact O-N 2.68Å; S429-K431 PolarHBondContact O-N 3.24Å; S429-K431 VanDerWaalsContact O-N 3.1Å
430	R	30.9	Very low	31.8	Very low	244 Å²	244	162.8 Å²	162.8	92%	0.921	80%	0.796	S	S	*	*			trans	-66.9	105	172.3	-84.8	176.6	163.2	168.2	-2.6	110.4	R428	R428-R430 PolarHBondContact O-N 2.84Å
431	K	29.5	Very low	30.1	Very low	204 Å²	204	162.8 Å²	162.8	89%	0.887	80%	0.801	S	S	*	*			trans	-114.2	148.3	147.8	-82	-175.8	176.3	176.1	0	110.4	S429	S429-K431 PolarHBondContact O-N 3.24Å; S429-K431 VanDerWaalsContact O-N 3.1Å
432	K	27.5	Very low	29.2	Very low	176 Å²	176	162.5 Å²	162.5	77%	0.765	80%	0.797	S	S	*	*			trans	-138.9	138.7	-160.5	-166.6	-165.5	-176.1	175.4	0	109.3
433	R	26.7	Very low	28.6	Very low	211 Å²	211	164.7 Å²	164.7	80%	0.796	80%	0.802	S	S	*	*			trans	76.7	151.2	179.4	-54.4	-178.8	165.5	162	-7.4	113.1
434	Q	25.5	Very low	28.1	Very low	167 Å²	167	162.8 Å²	162.8	78%	0.78	80%	0.796	S	S	*	*			cis	-145.5	162.3	21.5	-158.7	155.6	-58.4	0	0	112.9
435	Y	28.8	Very low	27.7	Very low	218 Å²	218	167.5 Å²	167.5	86%	0.855	80%	0.798	S	S	*	*			trans	-77.1	144.5	168.3	-95.9	-97	0	0	0	110.5
436	E	27.5	Very low	27.2	Very low	185 Å²	185	161.7 Å²	161.7	86%	0.864	79%	0.792	S	S	*	*			trans	-151.7	165.4	142.8	-114.3	152.5	-139.3	0	0	109.4
437	D	26.1	Very low	26.9	Very low	157 Å²	157	165.2 Å²	165.2	84%	0.84	80%	0.799	S	S	*	*			trans	-110.7	-171.2	-156.3	-157.2	-10.4	0	0	0	112
438	E	26.7	Very low	26.6	Very low	190 Å²	190	162.4 Å²	162.4	89%	0.888	79%	0.79	S	S	*	*			trans	81	139.9	179.6	-48.6	-179.8	-167.9	0	0	115.3
439	G	24.8	Very low	26.4	Very low	68 Å²	68	161.8 Å²	161.8	70%	0.701	79%	0.789	S	S	*	*			cis	149.4	128.8	-8.7	0	0	0	0	0	112.9
440	F	21.7	Very low	26.1	Very low	207 Å²	207	163.8 Å²	163.8	91%	0.908	79%	0.787	S	S	*	*			trans	68.1	158.3	170.3	-118.2	-115.2	0	0	0	116.6
441	D	24.5	Very low	25.8	Very low	125 Å²	125	159.6 Å²	159.6	67%	0.668	78%	0.778	S	S	*	*			cis	-162.6	178.6	-35.2	-171.9	23.3	0	0	0	109.6
442	V	26.8	Very low	25.5	Very low	112 Å²	112	158.7 Å²	158.7	68%	0.679	78%	0.777	S	S	*	*			trans	-58.7	144.8	-167.6	169.4	0	0	0	0	119.4
443	T	27.1	Very low	25.9	Very low	129 Å²	129	155.8 Å²	155.8	79%	0.791	78%	0.776	S	S	*	*			trans	166.9	132.6	132.1	30.7	0	0	0	0	108.9
444	E	26.7	Very low	26.1	Very low	144 Å²	144	154.3 Å²	154.3	67%	0.673	78%	0.778	S	S	*	*			cis	90.5	125.1	41.7	-142.4	-162.7	178.6	0	0	115.4
445	W	25.2	Very low	26.1	Very low	201 Å²	201	154 Å²	154	76%	0.761	78%	0.777	S	S	*	*			trans	74.8	132	171.1	-62.1	103.3	0	0	0	122.1
446	G	26.2	Very low	26.1	Very low	76 Å²	76	149.8 Å²	149.8	78%	0.784	77%	0.769	S	S	*	*			trans	169.2	71.7	166.3	0	0	0	0	0	116.2
447	R	24.9	Very low	26	Very low	210 Å²	210	151.1 Å²	151.1	79%	0.792	77%	0.766	S	S	*	*			trans	-62.7	156.1	-177.9	-56.7	173.3	178.1	-164	-3.3	114.8
448	G	23.9	Very low	26	Very low	67 Å²	67	154.4 Å²	154.4	69%	0.691	77%	0.767	S	S	*	*			trans	162.2	85.8	143.4	0	0	0	0	0	120.9
449	Y	24.2	Very low	25.9	Very low	198 Å²	198	150.7 Å²	150.7	78%	0.776	76%	0.762	S	S	*	*			trans	48.9	115.6	133	-69.9	-71.8	0	0	0	123.9
450	Q	22.6	Very low	26.1	Very low	150 Å²	150	159.5 Å²	159.5	70%	0.701	77%	0.774	S	S	*	*				113.9	120.6	106.5	-166.4	161.8	12.5	0	0	121.1
451	E	24.3	Very low	26.2	Very low	156 Å²	156	152.5 Å²	152.5	73%	0.729	76%	0.76	S	S	*	*			trans	30.6	119.2	146.7	-62.1	163.5	154.8	0	0	122.3
452	E	24.6	Very low	26.3	Very low	185 Å²	185	158.1 Å²	158.1	86%	0.864	77%	0.774	S	S	*	*				36.7	157.7	123	-78	-173.2	-151.8	0	0	122.9
453	P	34.8	Very low	26.3	Very low	116 Å²	116	157.2 Å²	157.2	75%	0.753	78%	0.777	S	S	*	*			cis	-137.5	-168.2	22.1	41.5	-21.2	0	0	0	117
454	E	31.4	Very low	26.3	Very low	180 Å²	180	159.5 Å²	159.5	84%	0.841	78%	0.779	S	S	*	*			trans	-61.6	152.9	175.3	-47.5	173.7	137.8	0	0	115.1
455	E	25.7	Very low	26.7	Very low	160 Å²	160	158.6 Å²	158.6	75%	0.748	79%	0.786	S	S	*	*			trans	-148.7	136.8	143.5	-90	-161.3	161.8	0	0	112.2	W457	E455-W457 WeakPolarHBondContact OE2-CZ2 3.37Å
456	D	28.6	Very low	26.7	Very low	130 Å²	130	156.6 Å²	156.6	70%	0.695	79%	0.785	S	S	*	*			trans	-83.1	137.1	177.5	166.3	31.6	0	0	0	112	R458	D456-R458 PolarHBondContact OD1-N 3.35Å; D456-R458 VanDerWaalsContact OD1-N 3.17Å
457	W	25.4	Very low	26.9	Very low	212 Å²	212	160.2 Å²	160.2	80%	0.803	78%	0.782	S	S	*	*			trans	-141.9	64.9	170.4	-65	105.6	0	0	0	114.2	E455 S459	E455-W457 WeakPolarHBondContact OE2-CZ2 3.37Å; W457-S459 PolarHBondContact O-N 2.89Å
458	R	25.9	Very low	27	Very low	227 Å²	227	156.4 Å²	156.4	86%	0.857	77%	0.773	S	S	*	*			trans	-72.7	104.3	148.3	-84.9	-174.4	172.2	179.1	-0.8	110.5	D456	D456-R458 PolarHBondContact OD1-N 3.35Å; D456-R458 VanDerWaalsContact OD1-N 3.17Å
459	S	25.1	Very low	27	Very low	111 Å²	111	162.7 Å²	162.7	78%	0.776	78%	0.776	S	S	*	*			trans	159.4	118.4	139.3	-78.1	0	0	0	0	113.3	W457	W457-S459 PolarHBondContact O-N 2.89Å
460	R	27.7	Very low	27.1	Very low	254 Å²	254	163.4 Å²	163.4	96%	0.958	78%	0.777	S	S	*	*			trans	-171.2	120.5	142.9	-105.2	161	-162.2	-167.5	6.4	109.8
461	G	23.8	Very low	27.3	Very low	60 Å²	60	159.6 Å²	159.6	62%	0.619	78%	0.778	S	S	*	*			trans	-97.8	-158.7	169.6	0	0	0	0	0	112.3
462	Y	27.1	Very low	27.4	Very low	243 Å²	243	160.3 Å²	160.3	95%	0.953	78%	0.781	S	S	*	*			trans	74.7	134.5	-174.5	-51.6	-73.2	0	0	0	114.1
463	A	26.1	Very low	27.4	Very low	92 Å²	92	154.6 Å²	154.6	76%	0.76	77%	0.772	S	S	*	*			cis	-158.2	166.7	-6.5	0	0	0	0	0	110.3
464	E	29.2	Very low	27.1	Very low	177 Å²	177	160 Å²	160	83%	0.827	78%	0.778	S	S	*	*			trans	-67.3	167.4	165.6	-64.6	-175.5	138.5	0	0	112.1
465	P	33.2	Very low	27	Very low	125 Å²	125	158 Å²	158	81%	0.812	77%	0.774	S	S	*	*				-138.5	160.7	105.2	38.4	-27.9	0	0	0	116
466	E	26.9	Very low	27.1	Very low	160 Å²	160	158.8 Å²	158.8	75%	0.748	78%	0.777	S	S	*	*			trans	-56.9	171.2	162.6	-52.5	158.1	137.5	0	0	111
467	E	29.5	Very low	26.9	Very low	152 Å²	152	155.3 Å²	155.3	71%	0.71	77%	0.771	S	S	*	*			cis	-167.4	168.4	17.5	-148.1	172.6	-161.6	0	0	110.4
468	E	26.5	Very low	27.1	Very low	130 Å²	130	156 Å²	156	61%	0.607	78%	0.776	S	S	*	*			trans	63.8	145	150.8	-92.4	-179.7	167.7	0	0	120.9
469	W	25.5	Very low	27.1	Very low	199 Å²	199	151.9 Å²	151.9	75%	0.754	77%	0.77	S	S	*	*			cis	-154	153.4	20.2	-103.5	105.6	0	0	0	112.9
470	R	26.3	Very low	27.3	Very low	213 Å²	213	155.7 Å²	155.7	80%	0.804	78%	0.776	S	S	*	*			trans	127.5	100.4	134.7	-66.7	-149.3	177.4	-156.5	-3.9	116
471	G	24.7	Very low	27.2	Very low	69 Å²	69	146.1 Å²	146.1	71%	0.711	76%	0.756	S	S	*	*			trans	-92.3	167.1	155.6	0	0	0	0	0	112.7
472	H	28	Very low	27.2	Very low	172 Å²	172	154.7 Å²	154.7	80%	0.796	77%	0.772	S	S	*	*			trans	-148.7	114.3	152.6	-91.7	-70.2	0	0	0	107.4
473	G	24.8	Very low	27.2	Very low	65 Å²	65	150 Å²	150	67%	0.67	76%	0.763	S	S	*	*			trans	-97.2	156.8	168	0	0	0	0	0	110.9
474	Y	27.9	Very low	27.9	Very low	228 Å²	228	150.5 Å²	150.5	89%	0.894	76%	0.759	S	S	*	*			trans	-137.3	132	149.8	-85.2	-73.1	0	0	0	109.2
475	D	28.3	Very low	27.6	Very low	139 Å²	139	145.1 Å²	145.1	74%	0.743	75%	0.751	S	S	*	*			trans	-86.8	145.4	179.5	176.4	18.5	0	0	0	110.1
476	H	28.9	Very low	27.3	Very low	177 Å²	177	150.4 Å²	150.4	82%	0.819	76%	0.756	S	S	*	*			trans	-173.2	99.1	153.2	-100.9	-55.2	0	0	0	110.3
477	G	25.2	Very low	27.2	Very low	56 Å²	56	150.2 Å²	150.2	58%	0.577	76%	0.755	S	S	*	*			trans	-78.9	153.4	164.3	0	0	0	0	0	112.9
478	Y	28	Very low	27.1	Very low	228 Å²	228	151 Å²	151	89%	0.894	76%	0.759	S	S	*	*			trans	-141	135.6	149.8	-92.9	-76.6	0	0	0	109.8
479	D	26.8	Very low	27	Very low	139 Å²	139	148.6 Å²	148.6	74%	0.743	77%	0.768	S	S	*	*			trans	-89.5	144.2	179.5	176.3	19.2	0	0	0	110.4
480	H	29.3	Very low	26.9	Very low	191 Å²	191	150 Å²	150	88%	0.884	78%	0.775	S	S	*	*			trans	-177.1	104.3	152.1	-98.4	-54.4	0	0	0	110.3
481	G	24.4	Very low	26.8	Very low	54 Å²	54	144.5 Å²	144.5	56%	0.557	77%	0.769	S	S	*	*			trans	-88.5	169	167.4	0	0	0	0	0	113.5
482	Y	25.1	Very low	27	Very low	239 Å²	239	149.8 Å²	149.8	94%	0.937	78%	0.775	S	S	*	*			trans	-172	122.4	142.1	-105.5	-71	0	0	0	110.9
483	D	27.4	Very low	26.8	Very low	145 Å²	145	145.4 Å²	145.4	78%	0.775	78%	0.777	S	S	*	*			trans	-78.6	176.3	155.8	-149.7	22.1	0	0	0	108.1
484	P	40.7	Very low	27	Very low	103 Å²	103	153.7 Å²	153.7	67%	0.669	79%	0.789	S	S	*	*			cis	-140.3	170.2	-2.8	42.4	-24.5	0	0	0	117.5
485	G	23.5	Very low	26.8	Very low	64 Å²	64	146.4 Å²	146.4	66%	0.66	78%	0.784	S	S	*	*			trans	81.1	138.8	139.1	0	0	0	0	0	121.1
486	Y	26.1	Very low	26.7	Very low	236 Å²	236	148.6 Å²	148.6	93%	0.925	79%	0.789	S	S	*	*				173.5	156.9	110.5	-96.7	-72.9	0	0	0	112.4
487	E	24.1	Very low	26.6	Very low	156 Å²	156	150.4 Å²	150.4	73%	0.729	79%	0.789	S	S	*	*			trans	-88.4	169.4	-171.4	-59	169	119.4	0	0	115.5
488	H	27.2	Very low	26.7	Very low	169 Å²	169	154.6 Å²	154.6	78%	0.782	79%	0.793	S	S	*	*			trans	68.5	129.8	150.5	-73.5	-57.9	0	0	0	121.1
489	G	24.2	Very low	26.7	Very low	78 Å²	78	152.9 Å²	152.9	80%	0.804	79%	0.794	S	S	*	*			trans	175.5	100.2	162.4	0	0	0	0	0	113.8
490	Y	24.3	Very low	26.8	Very low	230 Å²	230	155.5 Å²	155.5	90%	0.902	80%	0.801	S	S	*	*			trans	-76.3	154.3	171.1	-83.6	-96.9	0	0	0	112.3
491	S	24.3	Very low	26.8	Very low	96 Å²	96	155.9 Å²	155.9	67%	0.671	80%	0.803	S	S	*	*			trans	120.6	127.5	131.9	-152.3	0	0	0	0	118.6
492	Q	27.8	Very low	27.1	Very low	181 Å²	181	161 Å²	161	85%	0.846	82%	0.818	S	S	*	*			trans	29.2	132	142.9	-63.1	176	-22.6	0	0	121.3
493	G	23.9	Very low	27.6	Very low	80 Å²	80	157.5 Å²	157.5	83%	0.825	82%	0.816	S	S	*	*			trans	-152.9	82.8	160.3	0	0	0	0	0	112.3
494	Y	28.8	Very low	27.8	Very low	238 Å²	238	153.7 Å²	153.7	93%	0.933	81%	0.811	S	S	*	*			trans	-73.1	135.1	161.2	-93.7	-86.2	0	0	0	109.4
495	G	25.3	Very low	27.4	Very low	76 Å²	76	152.4 Å²	152.4	78%	0.784	82%	0.816	S	S	*	*			trans	-141.2	97.4	177.4	0	0	0	0	0	111.6
496	H	25.8	Very low	27.7	Very low	185 Å²	185	161 Å²	161	86%	0.856	83%	0.828	S	S	*	*			trans	-73.6	178.5	168.7	-106.4	-83.1	0	0	0	111.9
497	R	27.2	Very low	28.3	Very low	215 Å²	215	154.2 Å²	154.2	81%	0.811	83%	0.83	S	S	*	*			trans	85.7	138.2	168.8	-88.7	179	94.2	136.8	2.4	115.7
498	E	27	Very low	28.6	Very low	143 Å²	143	150.6 Å²	150.6	67%	0.668	83%	0.826	S	S	*	*			cis	-131.4	155.3	8.9	-64.8	-170.3	125.5	0	0	113.5
499	E	27.7	Very low	28.6	Very low	193 Å²	193	146.4 Å²	146.4	90%	0.902	83%	0.829	S	S	*	*			trans	-83.3	129.8	164.2	-62.2	169.1	141.2	0	0	108.9
500	E	27.9	Very low	28.7	Very low	194 Å²	194	151.9 Å²	151.9	91%	0.907	83%	0.831	S	S	*	*			trans	-117.8	118	158.5	-76.8	-164	148.6	0	0	109
501	E	30.3	Very low	28.9	Very low	198 Å²	198	149.3 Å²	149.3	93%	0.925	83%	0.827	S	S	*	*			trans	-75.2	120.4	170.9	-59.7	178.7	138.7	0	0	109.5
502	D	30.3	Very low	29.3	Very low	162 Å²	162	155 Å²	155	87%	0.866	84%	0.835	S	S	*	*			trans	-126.8	105.6	160.7	-162.8	10.7	0	0	0	110.4	G504	D502-G504 PolarHBondContact O-N 3.29Å; D502-G504 VanDerWaalsContact O-N 3.12Å
503	D	35.1	Very low	29.8	Very low	166 Å²	166	151.2 Å²	151.2	89%	0.888	83%	0.829	S	S	*	*			trans	-84.6	86.1	-170.5	-167.8	7.4	0	0	0	110.8
504	G	31.4	Very low	30.8	Very low	65 Å²	65	153.7 Å²	153.7	67%	0.67	82%	0.819	S	S	*	*			trans	-124.7	33.4	-166.1	0	0	0	0	0	115.7	D502 R506	D502-G504 PolarHBondContact O-N 3.29Å; D502-G504 VanDerWaalsContact O-N 3.12Å; G504-R506 PolarHBondContact O-N 2.93Å; G504-R506 VanDerWaalsContact O-N 3.15Å
505	G	32.7	Very low	31.6	Very low	75 Å²	75	146.2 Å²	146.2	77%	0.773	80%	0.8	S	S	*	*			trans	-52.4	114	-168	0	0	0	0	0	116.8
506	R	30.1	Very low	32.9	Very low	246 Å²	246	148 Å²	148	93%	0.928	79%	0.787	S	S	*	*			trans	-152.5	103.5	155.5	-108	173.5	-163.9	-177.7	8.5	111.5	G504 A508	G504-R506 PolarHBondContact O-N 2.93Å; G504-R506 VanDerWaalsContact O-N 3.15Å; R506-A508 PolarHBondContact O-N 2.85Å
507	G	39	Very low	34.7	Very low	92 Å²	92	145.5 Å²	145.5	95%	0.948	78%	0.78	S	S	*	*			trans	-61.5	125.7	-176.3	0	0	0	0	0	114.1
508	A	30.3	Very low	37.1	Very low	80 Å²	80	138.2 Å²	138.2	66%	0.661	76%	0.755	S	S	*	*			trans	-110.8	112.8	150.3	0	0	0	0	0	106.3	R506 F510	R506-A508 PolarHBondContact O-N 2.85Å; A508-F510 PolarHBondContact O-N 3.19Å; A508-F510 VanDerWaalsContact O-N 3.16Å
509	G	26.8	Very low	39.9	Very low	81 Å²	81	131.8 Å²	131.8	84%	0.835	73%	0.726	S	S	*	*			trans	-66.4	115.2	174.7	0	0	0	0	0	109	H511	G509-H511 PolarHBondContact O-N 2.79Å
510	F	26.5	Very low	42.7	Very low	194 Å²	194	125.4 Å²	125.4	85%	0.851	69%	0.694	S	S	*	*			trans	-65.6	100.6	166.2	-78.6	-88.6	0	0	0	107.7	A508 Y512	A508-F510 PolarHBondContact O-N 3.19Å; A508-F510 VanDerWaalsContact O-N 3.16Å; F510-Y512 PolarHBondContact O-N 2.93Å; F510-Y512 VanDerWaalsContact O-N 3.14Å
511	H	29	Very low	45.8	Very low	176 Å²	176	118.7 Å²	118.7	82%	0.815	66%	0.664	S	S	*	*			trans	-64.4	109.4	159.6	-169.4	-8.5	0	0	0	105.3	G509 S513	G509-H511 PolarHBondContact O-N 2.79Å; H511-S513 VanDerWaalsContact C-N 3.33Å; H511-S513 PolarHBondContact O-N 3.09Å
512	Y	31.9	Very low	48.9	Very low	215 Å²	215	109.6 Å²	109.6	84%	0.843	62%	0.622	S	S	*	*			trans	-57	106	163.4	-77.4	-91.3	0	0	0	106.3	F510	F510-Y512 PolarHBondContact O-N 2.93Å; F510-Y512 VanDerWaalsContact O-N 3.14Å
513	S	38.7	Very low	52	Low	102 Å²	102	104.2 Å²	104.2	71%	0.713	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-70.3	121.3	155.7	47.4	0	0	0	0	105.8	H511	H511-S513 VanDerWaalsContact C-N 3.33Å; H511-S513 PolarHBondContact O-N 3.09Å
514	E	44.3	Very low	55	Low	131 Å²	131	96.6 Å²	96.6	61%	0.612	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-49.2	138.8	166.8	-66.8	172.2	170.7	0	0	109.1	N419 E516	N419-E514 PolarHBondContact ND2-OE2 2.02Å; E514-E516 PolarHBondContact O-N 3.15Å
515	P	47	Very low	58	Low	82 Å²	82	95.8 Å²	95.8	53%	0.532	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-51.1	137.4	173.2	-22.2	30.1	0	0	0	110.3	D517 E518	P515-D517 PolarHBondContact O-N 3.25Å; P515-E518 HydrophobicContact CB-CG 3.94Å; P515-E518 HydrophobicContact CG-CG 3.86Å; P515-E518 PolarHBondContact O-N 2.91Å
516	E	52.6	Low	61	Low	113 Å²	113	95.9 Å²	95.9	53%	0.528	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.4	-172	-57.2	-150.8	118.2	0	0	113.2	K420 E514	K420-E516 IonicContact NZ-OE1 3.69Å; K420-E516 PolarHBondContact NZ-OE1 3.48Å; E514-E516 PolarHBondContact O-N 3.15Å
517	D	63.3	Low	64.2	Low	132 Å²	132	84.3 Å²	84.3	71%	0.706	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	7.7	-177.4	-50.2	-59.4	0	0	0	114	L418 P515	L418-D517 WeakPolarHBondContact CD2-O 3.46Å; P515-D517 PolarHBondContact O-N 3.25Å
518	E	77.7	Confident	67	Low	62 Å²	62	79.9 Å²	79.9	29%	0.29	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-73.1	137.2	174	-82.8	-78.5	148.2	0	0	111.5	N419 P515 K566	N419-E518 PolarHBondContact N-O 3.03Å; P515-E518 HydrophobicContact CB-CG 3.94Å; P515-E518 HydrophobicContact CG-CG 3.86Å; P515-E518 PolarHBondContact O-N 2.91Å; E518-K566 IonicContact OE1-NZ 3.79Å; E518-K566 PolarHBondContact OE1-NZ 3.33Å; E518-K566 VanDerWaalsContact OE2-CE 3.26Å; E518-K566 WeakPolarHBondContact OE2-CE 3.39Å; E518-K566 IonicContact OE2-NZ 2.78Å; E518-K566 PolarHBondContact OE2-NZ 2.81Å
519	P	84.9	Confident	70.1	Confident	8 Å²	8	81.4 Å²	81.4	5%	0.052	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	-72.2	156	175.2	33.1	-36.7	0	0	0	111.1	L416 L521 K566	L416-P519 HydrophobicContact CD1-CB 3.62Å; P519-L521 PolarHBondContact O-N 3.21Å; P519-K566 VanDerWaalsContact CD-CE 3.5Å; P519-K566 HydrophobicContact CG-CD 4.18Å; P519-K566 VanDerWaalsContact CG-CE 3.45Å; P519-K566 HydrophobicContact CG-CG 3.55Å
520	R	87.8	Confident	73.4	Confident	59 Å²	59	82.9 Å²	82.9	22%	0.223	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-70.2	123.1	-178.8	-170.3	167.3	-169.2	-160.3	-9	111.3	E354 R417 N419	E354-R520 IonicContact OE1-CZ 3.98Å; E354-R520 IonicContact OE1-NH2 3.79Å; E354-R520 PolarHBondContact OE1-NH2 3.01Å; E354-R520 IonicContact OE2-CZ 3.66Å; E354-R520 IonicContact OE2-NH1 3.79Å; E354-R520 PolarHBondContact OE2-NH1 3.45Å; E354-R520 IonicContact OE2-NH2 2.7Å; E354-R520 PolarHBondContact OE2-NH2 3.03Å; R417-R520 WeakPolarHBondContact O-CB 3.5Å; R417-R520 PolarHBondContact O-N 3.32Å; N419-R520 WeakPolarHBondContact OD1-CA 3.41Å
521	L	92.3	Very high	76.8	Confident	53 Å²	53	73.7 Å²	73.7	28%	0.277	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-91.6	158.2	-176.8	-53.2	175.3	0	0	0	111.4	P519 E525	P519-L521 PolarHBondContact O-N 3.21Å; L521-E525 HydrophobicContact CB-CB 4.3Å; L521-E525 HydrophobicContact CB-CG 4.24Å; L521-E525 HydrophobicContact CD1-CG 4.32Å; L521-E525 WeakPolarHBondContact CD1-OE2 3.01Å
522	T	94.9	Very high	80	Confident	7 Å²	7	65.3 Å²	65.3	4%	0.043	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-69.9	148.1	172.7	45.7	0	0	0	0	110.8	P412 Y413 D524 E525 F528 Y579	P412-T522 HydrophobicContact CB-CG2 3.88Å; Y413-T522 HydrophobicContact CD1-CG2 3.92Å; Y413-T522 HydrophobicContact CD2-CG2 3.69Å; Y413-T522 HydrophobicContact CE1-CG2 3.89Å; Y413-T522 HydrophobicContact CE2-CG2 3.66Å; Y413-T522 HydrophobicContact CG-CG2 3.82Å; T522-D524 PolarHBondContact O-N 2.97Å; T522-D524 VanDerWaalsContact O-N 3.09Å; T522-E525 WeakPolarHBondContact O-CB 3.45Å; T522-E525 PolarHBondContact O-N 2.68Å; T522-E525 WeakPolarHBondContact OG1-CA 3.32Å; T522-E525 PolarHBondContact OG1-N 2.88Å; T522-F528 HydrophobicContact CG2-CD2 4.37Å; T522-F528 HydrophobicContact CG2-CE2 4.13Å; T522-F528 WeakPolarHBondContact OG1-CD2 3.26Å; T522-Y579 HydrophobicContact CG2-CD1 4.22Å; T522-Y579 HydrophobicContact CG2-CE1 3.82Å
523	P	96.3	Very high	83	Confident	50 Å²	50	57.3 Å²	57.3	33%	0.325	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-28	170	-29.4	36	0	0	0	114.1	Y579 I646 N647 H648	P523-Y579 WeakPolarHBondContact CD-OH 3.43Å; P523-I646 HydrophobicContact CB-CG2 3.83Å; P523-N647 HydrophobicContact CG-CB 4.39Å; P523-N647 WeakPolarHBondContact CG-O 3.42Å; P523-H648 HydrophobicContact CB-CB 3.96Å; P523-H648 HydrophobicContact CG-CB 4.09Å
524	D	97.6	Very high	85.7	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.027	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	24	179.5	-71	-85.9	0	0	0	113.8	T522 S526 L527 F528 Y579 Y585 I646 H648 R660	T522-D524 PolarHBondContact O-N 2.97Å; T522-D524 VanDerWaalsContact O-N 3.09Å; D524-S526 VanDerWaalsContact C-N 3.28Å; D524-S526 PolarHBondContact O-N 3.25Å; D524-S526 VanDerWaalsContact O-N 3.14Å; D524-L527 HydrophobicContact CB-CB 4.45Å; D524-L527 WeakPolarHBondContact O-CA 3.02Å; D524-L527 WeakPolarHBondContact O-CB 3.45Å; D524-L527 PolarHBondContact O-N 2.97Å; D524-F528 HydrophobicContact CB-CD2 4.21Å; D524-F528 HydrophobicContact CB-CE2 4.32Å; D524-F528 PolarHBondContact O-N 3.36Å; D524-Y579 HydrophobicContact CB-CE2 4.48Å; D524-Y579 PolarHBondContact OD2-OH 2.71Å; D524-Y585 HydrophobicContact CB-CE1 3.79Å; D524-Y585 PolarHBondContact OD2-OH 2.76Å; D524-I646 WeakPolarHBondContact OD2-CG2 3.32Å; D524-H648 IonicContact OD2-CD2 3.35Å; D524-R660 IonicContact OD1-CZ 2.68Å; D524-R660 IonicContact OD1-NE 3.69Å; D524-R660 IonicContact OD1-NH2 3.89Å; D524-R660 PolarHBondContact OD1-NH2 3.29Å; D524-R660 IonicContact OD2-CZ 3.84Å; D524-R660 IonicContact OD2-NH2 2.7Å; D524-R660 PolarHBondContact OD2-NH2 2.87Å
525	E	95.1	Very high	88.2	Confident	48 Å²	48	46.6 Å²	46.6	22%	0.224	24%	0.237	C	C	.	.	H	α-helix	trans	-48.1	-45.5	-177.6	-173.8	-134	153.2	0	0	113.2	Y411 L521 T522 L527 F528 R529	Y411-E525 HydrophobicContact CE2-CG 4.43Å; L521-E525 HydrophobicContact CB-CB 4.3Å; L521-E525 HydrophobicContact CB-CG 4.24Å; L521-E525 HydrophobicContact CD1-CG 4.32Å; L521-E525 WeakPolarHBondContact CD1-OE2 3.01Å; T522-E525 WeakPolarHBondContact O-CB 3.45Å; T522-E525 PolarHBondContact O-N 2.68Å; T522-E525 WeakPolarHBondContact OG1-CA 3.32Å; T522-E525 PolarHBondContact OG1-N 2.88Å; E525-L527 PolarHBondContact O-N 3.24Å; E525-F528 PolarHBondContact O-N 3.41Å; E525-R529 HydrophobicContact CG-CG 4.49Å; E525-R529 WeakPolarHBondContact O-CB 3.45Å; E525-R529 WeakPolarHBondContact O-CG 3.1Å; E525-R529 PolarHBondContact O-N 2.79Å; E525-R529 WeakPolarHBondContact OE1-CD 3.31Å; E525-R529 IonicContact OE1-CZ 3.71Å; E525-R529 IonicContact OE1-NE 2.77Å; E525-R529 IonicContact OE1-NH1 2.66Å; E525-R529 PolarHBondContact OE1-NH1 3.11Å
526	S	95.3	Very high	90.5	Very high	77 Å²	77	42.7 Å²	42.7	54%	0.538	21%	0.212	S	C	.	.	H	α-helix	trans	-63.8	-25.1	-179.9	72.2	0	0	0	0	113.8	D524 W530 N663	D524-S526 VanDerWaalsContact C-N 3.28Å; D524-S526 PolarHBondContact O-N 3.25Å; D524-S526 VanDerWaalsContact O-N 3.14Å; S526-W530 PolarHBondContact O-N 3.17Å; S526-N663 PolarHBondContact O-ND2 2.88Å; S526-N663 PolarHBondContact OG-ND2 2.96Å; S526-N663 VanDerWaalsContact OG-ND2 3.17Å
527	L	96.8	Very high	92.4	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-83.6	-46	174	172.3	70	0	0	0	110.2	D524 E525 R529 W530 L531 Y585 L661	D524-L527 HydrophobicContact CB-CB 4.45Å; D524-L527 WeakPolarHBondContact O-CA 3.02Å; D524-L527 WeakPolarHBondContact O-CB 3.45Å; D524-L527 PolarHBondContact O-N 2.97Å; E525-L527 PolarHBondContact O-N 3.24Å; L527-R529 VanDerWaalsContact C-N 3.26Å; L527-R529 PolarHBondContact O-N 3.44Å; L527-W530 WeakPolarHBondContact O-CA 3.31Å; L527-W530 WeakPolarHBondContact O-CB 3.42Å; L527-W530 PolarHBondContact O-N 2.86Å; L527-L531 HydrophobicContact CD1-CD1 4.4Å; L527-L531 HydrophobicContact CD1-CG 4.3Å; L527-L531 HydrophobicContact CG-CD1 4.06Å; L527-L531 HydrophobicContact CG-CG 4.38Å; L527-L531 WeakPolarHBondContact O-CG 3.2Å; L527-L531 PolarHBondContact O-N 2.97Å; L527-Y585 HydrophobicContact CD2-CD1 3.87Å; L527-Y585 HydrophobicContact CD2-CE1 3.59Å; L527-L661 HydrophobicContact CD1-CB 4.24Å; L527-L661 HydrophobicContact CD2-CB 3.49Å; L527-L661 VanDerWaalsContact CD2-CB 3.49Å; L527-L661 WeakPolarHBondContact CD2-O 3.4Å; L527-L661 HydrophobicContact CG-CB 4.46Å
528	F	98	Very high	93.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.4	-40.7	176.3	-86.3	-67.3	0	0	0	112.3	Y411 P412 T522 D524 E525 L531 A532 Y579 Y585 L587	Y411-F528 HydrophobicContact CD2-CB 3.95Å; Y411-F528 HydrophobicContact CG-CB 4.29Å; P412-F528 HydrophobicContact CB-CE1 4.45Å; P412-F528 HydrophobicContact CB-CE2 4.49Å; P412-F528 HydrophobicContact CB-CZ 4.27Å; P412-F528 HydrophobicContact CG-CD1 4.4Å; P412-F528 HydrophobicContact CG-CE1 3.88Å; P412-F528 HydrophobicContact CG-CZ 4.04Å; T522-F528 HydrophobicContact CG2-CD2 4.37Å; T522-F528 HydrophobicContact CG2-CE2 4.13Å; T522-F528 WeakPolarHBondContact OG1-CD2 3.26Å; D524-F528 HydrophobicContact CB-CD2 4.21Å; D524-F528 HydrophobicContact CB-CE2 4.32Å; D524-F528 PolarHBondContact O-N 3.36Å; E525-F528 PolarHBondContact O-N 3.41Å; F528-L531 PolarHBondContact O-N 3.11Å; F528-A532 WeakPolarHBondContact O-CB 3.42Å; F528-A532 PolarHBondContact O-N 3.01Å; F528-Y579 AromaticContact CE2-CD2 3.76Å; F528-Y579 HydrophobicContact CE2-CD2 3.76Å; F528-Y579 AromaticContact CE2-CE2 3.59Å; F528-Y579 HydrophobicContact CE2-CE2 3.59Å; F528-Y579 HydrophobicContact CE2-CG 4.3Å; F528-Y579 AromaticContact CZ-CD2 3.61Å; F528-Y579 HydrophobicContact CZ-CD2 3.61Å; F528-Y579 AromaticContact CZ-CE2 3.94Å; F528-Y579 HydrophobicContact CZ-CE2 3.94Å; F528-Y579 HydrophobicContact CZ-CG 4.09Å; F528-Y585 HydrophobicContact CD2-CD1 4.43Å; F528-Y585 AromaticContact CE1-CD1 3.99Å; F528-Y585 HydrophobicContact CE1-CD1 3.99Å; F528-Y585 AromaticContact CE2-CD1 3.81Å; F528-Y585 HydrophobicContact CE2-CD1 3.81Å; F528-Y585 HydrophobicContact CE2-CE1 4.11Å; F528-Y585 AromaticContact CZ-CD1 3.56Å; F528-Y585 HydrophobicContact CZ-CD1 3.56Å; F528-Y585 HydrophobicContact CZ-CE1 4.27Å; F528-Y585 HydrophobicContact CZ-CG 4.28Å; F528-L587 HydrophobicContact CD1-CD2 3.8Å; F528-L587 HydrophobicContact CE1-CD2 4.37Å
529	R	95.8	Very high	94.7	Very high	112 Å²	112	33.6 Å²	33.6	42%	0.423	18%	0.176	S	C	.	.	H	α-helix	trans	-65	-38.1	173.4	-72.5	175.8	67.6	173.9	2.7	113	Y411 E525 L527 V533 M561	Y411-R529 HydrophobicContact CD2-CG 4.49Å; Y411-R529 HydrophobicContact CE1-CG 3.8Å; Y411-R529 HydrophobicContact CE2-CG 3.79Å; Y411-R529 VanDerWaalsContact CZ-CG 3.4Å; Y411-R529 WeakPolarHBondContact OH-CD 3.18Å; Y411-R529 WeakPolarHBondContact OH-CG 3.39Å; E525-R529 HydrophobicContact CG-CG 4.49Å; E525-R529 WeakPolarHBondContact O-CB 3.45Å; E525-R529 WeakPolarHBondContact O-CG 3.1Å; E525-R529 PolarHBondContact O-N 2.79Å; E525-R529 WeakPolarHBondContact OE1-CD 3.31Å; E525-R529 IonicContact OE1-CZ 3.71Å; E525-R529 IonicContact OE1-NE 2.77Å; E525-R529 IonicContact OE1-NH1 2.66Å; E525-R529 PolarHBondContact OE1-NH1 3.11Å; L527-R529 VanDerWaalsContact C-N 3.26Å; L527-R529 PolarHBondContact O-N 3.44Å; R529-V533 WeakPolarHBondContact O-CB 3.43Å; R529-V533 VanDerWaalsContact O-CG2 3.27Å; R529-V533 WeakPolarHBondContact O-CG2 3.23Å; R529-V533 PolarHBondContact O-N 2.56Å; R529-M561 HydrophobicContact CB-SD 4.38Å; R529-M561 HydrophobicContact CG-SD 4.41Å
530	W	95.6	Very high	95	Very high	112 Å²	112	37.9 Å²	37.9	42%	0.424	20%	0.198	S	C	.	.	H	α-helix	trans	-63.2	-46.6	172.7	177	-84.7	0	0	0	111.5	S526 L527 A532 V533 S534 R622	S526-W530 PolarHBondContact O-N 3.17Å; L527-W530 WeakPolarHBondContact O-CA 3.31Å; L527-W530 WeakPolarHBondContact O-CB 3.42Å; L527-W530 PolarHBondContact O-N 2.86Å; W530-A532 VanDerWaalsContact C-N 3.35Å; W530-A532 PolarHBondContact O-N 3.03Å; W530-V533 PolarHBondContact O-N 3.03Å; W530-S534 WeakPolarHBondContact O-CB 3.27Å; W530-S534 PolarHBondContact O-N 3.25Å; W530-R622 VanDerWaalsContact NE1-CZ 3.34Å
531	L	97.4	Very high	94.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-44.6	178.7	-67.4	171.7	0	0	0	110.9	L398 L527 F528 S534 Y535 L587 F616 Q619 L661	L398-L531 HydrophobicContact CD1-CD1 3.79Å; L398-L531 HydrophobicContact CD1-CD2 4.05Å; L398-L531 HydrophobicContact CD2-CD2 4.31Å; L527-L531 HydrophobicContact CD1-CD1 4.4Å; L527-L531 HydrophobicContact CD1-CG 4.3Å; L527-L531 HydrophobicContact CG-CD1 4.06Å; L527-L531 HydrophobicContact CG-CG 4.38Å; L527-L531 WeakPolarHBondContact O-CG 3.2Å; L527-L531 PolarHBondContact O-N 2.97Å; F528-L531 PolarHBondContact O-N 3.11Å; L531-S534 PolarHBondContact O-N 2.89Å; L531-S534 PolarHBondContact O-OG 3.28Å; L531-Y535 PolarHBondContact O-N 3.03Å; L531-L587 HydrophobicContact CB-CD1 3.99Å; L531-F616 HydrophobicContact CB-CE2 4.25Å; L531-Q619 HydrophobicContact CD2-CB 3.63Å; L531-Q619 HydrophobicContact CD2-CG 4.09Å; L531-L661 HydrophobicContact CD1-CD1 4.48Å
532	A	96.8	Very high	94.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-46.9	175.9	0	0	0	0	0	112.6	V409 Y411 F528 W530 S534 Y535 A536 M561 L587	V409-A532 HydrophobicContact CB-CB 4.17Å; V409-A532 HydrophobicContact CG1-CB 3.75Å; Y411-A532 HydrophobicContact CD1-CB 4.04Å; F528-A532 WeakPolarHBondContact O-CB 3.42Å; F528-A532 PolarHBondContact O-N 3.01Å; W530-A532 VanDerWaalsContact C-N 3.35Å; W530-A532 PolarHBondContact O-N 3.03Å; A532-S534 VanDerWaalsContact C-N 3.3Å; A532-S534 PolarHBondContact O-N 2.93Å; A532-Y535 PolarHBondContact O-N 3.38Å; A532-A536 WeakPolarHBondContact O-CB 3.49Å; A532-A536 PolarHBondContact O-N 3.29Å; A532-M561 HydrophobicContact CB-CB 3.92Å; A532-M561 HydrophobicContact CB-SD 4.07Å; A532-L587 HydrophobicContact CB-CD1 4.35Å
533	V	95.1	Very high	94.1	Very high	46 Å²	46	36.4 Å²	36.4	28%	0.279	20%	0.197	S	C	.	.	H	α-helix	trans	-59.7	-40.9	174.1	170.1	0	0	0	0	111.2	R529 W530 Y535 A536 S537 V559 M561	R529-V533 WeakPolarHBondContact O-CB 3.43Å; R529-V533 VanDerWaalsContact O-CG2 3.27Å; R529-V533 WeakPolarHBondContact O-CG2 3.23Å; R529-V533 PolarHBondContact O-N 2.56Å; W530-V533 PolarHBondContact O-N 3.03Å; V533-Y535 PolarHBondContact O-N 2.99Å; V533-Y535 VanDerWaalsContact O-N 3.14Å; V533-A536 PolarHBondContact O-N 2.74Å; V533-S537 WeakPolarHBondContact O-CB 3.43Å; V533-S537 PolarHBondContact O-N 3.36Å; V533-S537 PolarHBondContact O-OG 2.83Å; V533-V559 HydrophobicContact CG2-CG1 4.32Å; V533-M561 HydrophobicContact CG2-CE 3.51Å; V533-M561 HydrophobicContact CG2-CG 4.48Å; V533-M561 HydrophobicContact CG2-SD 3.71Å
534	S	95.4	Very high	93.1	Very high	9 Å²	9	37.2 Å²	37.2	6%	0.063	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-28	-176.5	75.5	0	0	0	0	113.7	W530 L531 A532 T538 Q619	W530-S534 WeakPolarHBondContact O-CB 3.27Å; W530-S534 PolarHBondContact O-N 3.25Å; L531-S534 PolarHBondContact O-N 2.89Å; L531-S534 PolarHBondContact O-OG 3.28Å; A532-S534 VanDerWaalsContact C-N 3.3Å; A532-S534 PolarHBondContact O-N 2.93Å; S534-T538 PolarHBondContact O-OG1 2.85Å; S534-Q619 WeakPolarHBondContact OG-CG 3.46Å
535	Y	97.1	Very high	91.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-87.4	-51.2	170.9	-165.2	-79.1	0	0	0	111.8	F402 V409 L531 A532 V533 S537 T538 H539 M542 I589 N609 A612 M613 F616	F402-Y535 HydrophobicContact CE1-CE2 4.21Å; V409-Y535 HydrophobicContact CG2-CD1 3.93Å; V409-Y535 HydrophobicContact CG2-CG 4.43Å; L531-Y535 PolarHBondContact O-N 3.03Å; A532-Y535 PolarHBondContact O-N 3.38Å; V533-Y535 PolarHBondContact O-N 2.99Å; V533-Y535 VanDerWaalsContact O-N 3.14Å; Y535-S537 VanDerWaalsContact C-N 3.34Å; Y535-S537 PolarHBondContact O-N 3.42Å; Y535-T538 PolarHBondContact O-N 2.86Å; Y535-T538 VanDerWaalsContact O-N 3.14Å; Y535-T538 PolarHBondContact O-OG1 2.03Å; Y535-H539 PolarHBondContact O-N 3.34Å; Y535-M542 HydrophobicContact CE1-CE 4.45Å; Y535-I589 HydrophobicContact CD1-CD1 4.21Å; Y535-I589 HydrophobicContact CD1-CG2 3.93Å; Y535-I589 HydrophobicContact CD2-CD1 3.63Å; Y535-I589 HydrophobicContact CE1-CD1 4.25Å; Y535-I589 HydrophobicContact CE1-CG2 3.39Å; Y535-I589 HydrophobicContact CE2-CD1 3.67Å; Y535-I589 HydrophobicContact CE2-CG2 4.49Å; Y535-I589 HydrophobicContact CG-CD1 3.91Å; Y535-N609 PolarHBondContact OH-OD1 2.69Å; Y535-A612 HydrophobicContact CD1-CB 3.92Å; Y535-A612 HydrophobicContact CD2-CB 3.76Å; Y535-A612 WeakPolarHBondContact CD2-O 3.31Å; Y535-A612 HydrophobicContact CE1-CB 3.83Å; Y535-A612 HydrophobicContact CE2-CB 3.68Å; Y535-A612 HydrophobicContact CG-CB 3.89Å; Y535-M613 HydrophobicContact CE2-CG 4.06Å; Y535-F616 HydrophobicContact CD2-CB 3.87Å; Y535-F616 HydrophobicContact CD2-CG 4.26Å
536	A	94.4	Very high	89.4	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-37.8	-174.9	0	0	0	0	0	113.4	V409 A532 V533 T538 M542 T543	V409-A536 HydrophobicContact CG2-CB 4Å; A532-A536 WeakPolarHBondContact O-CB 3.49Å; A532-A536 PolarHBondContact O-N 3.29Å; V533-A536 PolarHBondContact O-N 2.74Å; A536-T538 VanDerWaalsContact C-N 3.33Å; A536-M542 HydrophobicContact CB-CG 4.43Å; A536-M542 HydrophobicContact CB-SD 4.12Å; A536-T543 HydrophobicContact CB-CG2 4.46Å; A536-T543 WeakPolarHBondContact O-CG2 2.99Å
537	S	93.3	Very high	87.7	Confident	71 Å²	71	48.7 Å²	48.7	50%	0.497	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-13	180	74	0	0	0	0	114.2	V533 Y535	V533-S537 WeakPolarHBondContact O-CB 3.43Å; V533-S537 PolarHBondContact O-N 3.36Å; V533-S537 PolarHBondContact O-OG 2.83Å; Y535-S537 VanDerWaalsContact C-N 3.34Å; Y535-S537 PolarHBondContact O-N 3.42Å
538	T	94.7	Very high	86	Confident	42 Å²	42	51.4 Å²	51.4	26%	0.258	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-16.9	174.7	49.4	0	0	0	0	112.4	S534 Y535 A536 A612 T615	S534-T538 PolarHBondContact O-OG1 2.85Å; Y535-T538 PolarHBondContact O-N 2.86Å; Y535-T538 VanDerWaalsContact O-N 3.14Å; Y535-T538 PolarHBondContact O-OG1 2.03Å; A536-T538 VanDerWaalsContact C-N 3.33Å; T538-A612 VanDerWaalsContact OG1-CA 3.23Å; T538-A612 WeakPolarHBondContact OG1-CA 2.96Å; T538-A612 WeakPolarHBondContact OG1-CB 3.19Å; T538-T615 HydrophobicContact CG2-CG2 4.12Å
539	H	94.2	Very high	85	Confident	3 Å²	3	52 Å²	52	1%	0.014	27%	0.268	C	S	.	.	S	Bend	trans	-71.7	127.3	170.2	-173.5	-84.3	0	0	0	111.4	Y535 T541 M542 K608 N609 A612	Y535-H539 PolarHBondContact O-N 3.34Å; H539-T541 PolarHBondContact CE1-OG1 2.91Å; H539-T541 PolarHBondContact ND1-N 2.76Å; H539-T541 PolarHBondContact O-N 2.88Å; H539-M542 HydrophobicContact CB-CB 3.81Å; H539-M542 WeakPolarHBondContact ND1-CB 3.35Å; H539-M542 PolarHBondContact ND1-N 2.86Å; H539-M542 PolarHBondContact O-N 3.04Å; H539-K608 WeakPolarHBondContact CA-O 3.38Å; H539-K608 PolarHBondContact CD2-O 3.39Å; H539-K608 VanDerWaalsContact CD2-O 3.27Å; H539-N609 PolarHBondContact CD2-OD1 2.83Å; H539-N609 PolarHBondContact NE2-ND2 3.38Å; H539-N609 PolarHBondContact NE2-OD1 2.97Å; H539-A612 HydrophobicContact CB-CB 4.35Å
540	L	90.6	Very high	84.4	Confident	98 Å²	98	46.8 Å²	46.8	51%	0.513	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.6	-168.7	-68.1	-177.6	0	0	0	115.3	H544 E607 K608	L540-H544 PolarHBondContact O-CE1 2.95Å; L540-H544 PolarHBondContact O-NE2 3.07Å; L540-H544 VanDerWaalsContact O-NE2 3.11Å; L540-E607 HydrophobicContact CD1-CG 4.3Å; L540-K608 HydrophobicContact CB-CB 4.48Å; L540-K608 HydrophobicContact CB-CG 4.29Å; L540-K608 HydrophobicContact CD1-CG 4.47Å; L540-K608 PolarHBondContact N-O 3.03Å
541	T	86.4	Confident	83.8	Confident	30 Å²	30	41.9 Å²	41.9	18%	0.184	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.9	0.4	-175.3	65	0	0	0	0	115.5	H539 H544	H539-T541 PolarHBondContact CE1-OG1 2.91Å; H539-T541 PolarHBondContact ND1-N 2.76Å; H539-T541 PolarHBondContact O-N 2.88Å; T541-H544 WeakPolarHBondContact O-CB 3.42Å; T541-H544 PolarHBondContact O-N 3.08Å
542	M	87.6	Confident	82.2	Confident	12 Å²	12	44.6 Å²	44.6	6%	0.059	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-19.7	-169.5	-161.9	172.6	-74.3	0	0	112.9	V409 Y535 A536 H539 G560 F590	V409-M542 HydrophobicContact CG2-SD 3.59Å; V409-M542 VanDerWaalsContact CG2-SD 3.59Å; Y535-M542 HydrophobicContact CE1-CE 4.45Å; A536-M542 HydrophobicContact CB-CG 4.43Å; A536-M542 HydrophobicContact CB-SD 4.12Å; H539-M542 HydrophobicContact CB-CB 3.81Å; H539-M542 WeakPolarHBondContact ND1-CB 3.35Å; H539-M542 PolarHBondContact ND1-N 2.86Å; H539-M542 PolarHBondContact O-N 3.04Å; M542-G560 WeakPolarHBondContact O-CA 3.41Å; M542-F590 WeakPolarHBondContact CE-O 3.41Å
543	T	83.1	Confident	80.5	Confident	46 Å²	46	45.8 Å²	45.8	28%	0.282	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	15.1	174.2	45.6	0	0	0	0	112.9	A536 N545	A536-T543 HydrophobicContact CB-CG2 4.46Å; A536-T543 WeakPolarHBondContact O-CG2 2.99Å; T543-N545 PolarHBondContact O-N 3.1Å; T543-N545 VanDerWaalsContact O-N 3.13Å; T543-N545 PolarHBondContact O-OD1 3.38Å
544	H	75.6	Confident	78.7	Confident	67 Å²	67	50.7 Å²	50.7	31%	0.31	29%	0.288	S	S	.	.			trans	-77.9	98.4	179.2	-79.4	-161.1	0	0	0	111.8	L540 T541 Y546 R547	L540-H544 PolarHBondContact O-CE1 2.95Å; L540-H544 PolarHBondContact O-NE2 3.07Å; L540-H544 VanDerWaalsContact O-NE2 3.11Å; T541-H544 WeakPolarHBondContact O-CB 3.42Å; T541-H544 PolarHBondContact O-N 3.08Å; H544-Y546 HydrophobicContact CB-CD1 4.1Å; H544-Y546 HydrophobicContact CB-CE1 3.66Å; H544-Y546 AromaticContact CG-CE1 3.72Å; H544-Y546 AromaticContact ND1-CE1 3.47Å; H544-Y546 WeakPolarHBondContact ND1-CE1 3.42Å; H544-Y546 AromaticContact ND1-CZ 3.52Å; H544-Y546 PolarHBondContact ND1-OH 2.92Å; H544-Y546 PolarHBondContact O-N 2.91Å; H544-R547 PolarHBondContact O-N 3.35Å
545	N	57.4	Low	76.6	Confident	124 Å²	124	51.8 Å²	51.8	66%	0.663	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-17.5	-177	-60.4	-16.1	0	0	0	116.9	T543 A558	T543-N545 PolarHBondContact O-N 3.1Å; T543-N545 VanDerWaalsContact O-N 3.13Å; T543-N545 PolarHBondContact O-OD1 3.38Å; N545-A558 WeakPolarHBondContact OD1-CA 3.28Å; N545-A558 WeakPolarHBondContact OD1-CB 3.35Å; N545-A558 PolarHBondContact OD1-O 2.92Å; N545-A558 VanDerWaalsContact OD1-O 3.13Å
546	Y	56.4	Low	74.5	Confident	156 Å²	156	52.9 Å²	52.9	61%	0.612	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-13.6	-179.1	66.2	-89.8	0	0	0	113.6	H544	H544-Y546 HydrophobicContact CB-CD1 4.1Å; H544-Y546 HydrophobicContact CB-CE1 3.66Å; H544-Y546 AromaticContact CG-CE1 3.72Å; H544-Y546 AromaticContact ND1-CE1 3.47Å; H544-Y546 WeakPolarHBondContact ND1-CE1 3.42Å; H544-Y546 AromaticContact ND1-CZ 3.52Å; H544-Y546 PolarHBondContact ND1-OH 2.92Å; H544-Y546 PolarHBondContact O-N 2.91Å
547	R	59.5	Low	72.6	Confident	91 Å²	91	55.2 Å²	55.2	34%	0.343	33%	0.328	S	S	.	.			trans	-96.1	108.5	171.4	-71.2	-173.1	170.8	-177.5	-3.8	108.5	E36 H544	E36-R547 IonicContact OE1-CZ 3.86Å; E36-R547 IonicContact OE1-NE 3.45Å; E36-R547 PolarHBondContact OE1-NE 2.78Å; E36-R547 IonicContact OE1-NH2 3.65Å; E36-R547 PolarHBondContact OE1-NH2 3.09Å; H544-R547 PolarHBondContact O-N 3.35Å
548	G	62.7	Low	71	Confident	59 Å²	59	54.5 Å²	54.5	61%	0.608	33%	0.327	S	S	*	.			trans	-71.9	-175.9	168.2	0	0	0	0	0	111.8
549	S	75.4	Confident	70	Confident	13 Å²	13	55.8 Å²	55.8	9%	0.091	33%	0.334	C	S	.	.			trans	-55.7	146.7	171.8	158.3	0	0	0	0	111.6	E406 H551 G552 D553	E406-S549 VanDerWaalsContact OE1-CA 3.26Å; E406-S549 WeakPolarHBondContact OE1-CA 3.21Å; E406-S549 PolarHBondContact OE1-OG 2.92Å; E406-S549 VanDerWaalsContact OE2-CB 3.27Å; E406-S549 WeakPolarHBondContact OE2-CB 3.23Å; E406-S549 PolarHBondContact OE2-OG 3.32Å; S549-H551 PolarHBondContact O-N 2.93Å; S549-H551 PolarHBondContact OG-N 2.83Å; S549-G552 PolarHBondContact O-N 3.21Å; S549-D553 WeakPolarHBondContact CB-O 3.16Å; S549-D553 PolarHBondContact N-O 3.21Å; S549-D553 VanDerWaalsContact N-O 3.07Å
550	C	84.5	Confident	69.6	Low	2 Å²	2	55.7 Å²	55.7	1%	0.014	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-27.3	171.8	-58.8	0	0	0	0	113.5	H33 M59 E406 C593	H33-C550 PolarHBondContact CE1-O 2.74Å; H33-C550 PolarHBondContact NE2-O 3.44Å; M59-C550 VanDerWaalsContact CE-O 3.27Å; M59-C550 WeakPolarHBondContact CE-O 3.35Å; E406-C550 PolarHBondContact OE1-N 3.33Å; E406-C550 PolarHBondContact OE1-SG 3.15Å; C550-C593 HydrophobicContact CB-CB 3.52Å; C550-C593 WeakPolarHBondContact CB-SG 3.35Å; C550-C593 WeakPolarHBondContact SG-CA 3.49Å; C550-C593 WeakPolarHBondContact SG-CB 3.49Å; C550-C593 CovalentContact SG-SG 2.02Å; C550-C593 PolarHBondContact SG-SG 3.34Å
551	H	82.2	Confident	69.6	Low	10 Å²	10	52.2 Å²	52.2	5%	0.046	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	15.1	-178.5	-53.2	-47.6	0	0	0	114.3	R54 M59 R69 W327 G405 S549	R54-H551 PolarHBondContact NH1-O 3.15Å; M59-H551 HydrophobicContact SD-CB 4.35Å; R69-H551 VanDerWaalsContact CD-O 3.3Å; R69-H551 WeakPolarHBondContact CD-O 3.17Å; R69-H551 WeakPolarHBondContact CG-O 3.36Å; W327-H551 AromaticContact CH2-CE1 3.75Å; W327-H551 AromaticContact CH2-NE2 3.1Å; W327-H551 WeakPolarHBondContact CH2-NE2 3.4Å; W327-H551 AromaticContact CZ2-NE2 3.69Å; W327-H551 AromaticContact CZ3-NE2 3.83Å; G405-H551 PolarHBondContact O-NE2 2.85Å; S549-H551 PolarHBondContact O-N 2.93Å; S549-H551 PolarHBondContact OG-N 2.83Å
552	G	63.2	Low	69.8	Low	58 Å²	58	51.3 Å²	51.3	60%	0.598	31%	0.31	S	S	*	.	S	Bend	trans	93.5	7.1	171.2	0	0	0	0	0	116.3	S549	S549-G552 PolarHBondContact O-N 3.21Å
553	D	62.1	Low	70	Confident	24 Å²	24	50.9 Å²	50.9	13%	0.128	31%	0.308	C	S	.	.			trans	-74.1	164.6	167.3	-74.6	-28.2	0	0	0	113.4	R69 S549 P555 W567	R69-D553 IonicContact CZ-OD1 2.97Å; R69-D553 IonicContact CZ-OD2 3.01Å; R69-D553 IonicContact NE-OD1 2.65Å; R69-D553 PolarHBondContact NE-OD1 3.32Å; R69-D553 IonicContact NE-OD2 3.64Å; R69-D553 IonicContact NH2-OD1 3.23Å; R69-D553 PolarHBondContact NH2-OD1 3.24Å; R69-D553 IonicContact NH2-OD2 3.81Å; R69-D553 PolarHBondContact NH2-OD2 3.22Å; S549-D553 WeakPolarHBondContact CB-O 3.16Å; S549-D553 PolarHBondContact N-O 3.21Å; S549-D553 VanDerWaalsContact N-O 3.07Å; D553-P555 VanDerWaalsContact C-CD 3.45Å; D553-P555 HydrophobicContact CB-CB 4.46Å; D553-P555 HydrophobicContact CB-CG 3.79Å; D553-W567 PolarHBondContact OD2-NE1 3.01Å
554	I	56.8	Low	70.5	Confident	149 Å²	149	49.6 Å²	49.6	76%	0.764	30%	0.298	S	S	*	.			trans	-120.5	68.1	158.8	-48.6	174.5	0	0	0	108.5
555	P	51.8	Low	71.3	Confident	32 Å²	32	46.6 Å²	46.6	21%	0.208	28%	0.284	C	S	.	.	S	Bend	trans	-84	-28.3	-175.1	27.4	-17	0	0	0	112	I408 D553 V562 W567	I408-P555 HydrophobicContact CD1-CB 4.48Å; I408-P555 HydrophobicContact CD1-CG 4.21Å; D553-P555 VanDerWaalsContact C-CD 3.45Å; D553-P555 HydrophobicContact CB-CB 4.46Å; D553-P555 HydrophobicContact CB-CG 3.79Å; P555-V562 HydrophobicContact CB-CG2 4.47Å; P555-V562 WeakPolarHBondContact O-CG2 3.34Å; P555-W567 HydrophobicContact CB-CB 4.22Å; P555-W567 VanDerWaalsContact CB-CD1 3.41Å; P555-W567 HydrophobicContact CB-CD2 4.25Å; P555-W567 HydrophobicContact CB-CG 3.71Å; P555-W567 HydrophobicContact CG-CD2 4.45Å; P555-W567 HydrophobicContact CG-CG 4.35Å
556	A	53.3	Low	72.7	Confident	24 Å²	24	45.7 Å²	45.7	20%	0.198	28%	0.275	C	S	.	.	S	Bend	trans	-85.2	-20.4	-174.8	0	0	0	0	0	115.1	I408 M561	I408-A556 HydrophobicContact CD1-CB 3.5Å; I408-A556 HydrophobicContact CG1-CB 3.99Å; A556-M561 WeakPolarHBondContact CA-O 3.21Å
557	G	53.5	Low	74.1	Confident	48 Å²	48	39.9 Å²	39.9	50%	0.495	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	51.5	-152.5	-153.6	0	0	0	0	0	112.1	V559	G557-V559 PolarHBondContact O-N 2.98Å; G557-V559 VanDerWaalsContact O-N 3.17Å
558	A	59.3	Low	75.3	Confident	57 Å²	57	39.3 Å²	39.3	47%	0.471	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-73	4.6	-179.9	0	0	0	0	0	115.5	N545	N545-A558 WeakPolarHBondContact OD1-CA 3.28Å; N545-A558 WeakPolarHBondContact OD1-CB 3.35Å; N545-A558 PolarHBondContact OD1-O 2.92Å; N545-A558 VanDerWaalsContact OD1-O 3.13Å
559	V	74.7	Confident	76.6	Confident	68 Å²	68	39.9 Å²	39.9	41%	0.412	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-116.4	-1	-161.3	-156	0	0	0	0	113.7	V533 G557 M561	V533-V559 HydrophobicContact CG2-CG1 4.32Å; G557-V559 PolarHBondContact O-N 2.98Å; G557-V559 VanDerWaalsContact O-N 3.17Å; V559-M561 HydrophobicContact CB-CE 4.41Å; V559-M561 HydrophobicContact CB-CG 4.32Å; V559-M561 HydrophobicContact CG1-CE 3.83Å; V559-M561 HydrophobicContact CG1-CG 4.27Å; V559-M561 PolarHBondContact O-N 3.1Å
560	G	86.1	Confident	77.4	Confident	2 Å²	2	39.7 Å²	39.7	2%	0.021	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	15.4	175.8	0	0	0	0	0	115.3	V409 M542	V409-G560 PolarHBondContact N-O 3.34Å; M542-G560 WeakPolarHBondContact O-CA 3.41Å
561	M	90.2	Very high	77.8	Confident	25 Å²	25	43.8 Å²	43.8	12%	0.123	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	152.7	179.8	61	152.5	176.4	0	0	113	V409 Y411 R529 A532 V533 A556 V559	V409-M561 HydrophobicContact CB-CB 4.48Å; V409-M561 CarbonylContact O-C 3.35Å; V409-M561 WeakPolarHBondContact O-CA 3.42Å; Y411-M561 HydrophobicContact CE1-SD 4.07Å; R529-M561 HydrophobicContact CB-SD 4.38Å; R529-M561 HydrophobicContact CG-SD 4.41Å; A532-M561 HydrophobicContact CB-CB 3.92Å; A532-M561 HydrophobicContact CB-SD 4.07Å; V533-M561 HydrophobicContact CG2-CE 3.51Å; V533-M561 HydrophobicContact CG2-CG 4.48Å; V533-M561 HydrophobicContact CG2-SD 3.71Å; A556-M561 WeakPolarHBondContact CA-O 3.21Å; V559-M561 HydrophobicContact CB-CE 4.41Å; V559-M561 HydrophobicContact CB-CG 4.32Å; V559-M561 HydrophobicContact CG1-CE 3.83Å; V559-M561 HydrophobicContact CG1-CG 4.27Å; V559-M561 PolarHBondContact O-N 3.1Å
562	V	90.6	Very high	78.4	Confident	11 Å²	11	43.6 Å²	43.6	7%	0.067	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	150.5	175.8	75.4	0	0	0	0	112.1	I408 V409 A410 Y411 P555 W567	I408-V562 HydrophobicContact CD1-CB 3.72Å; I408-V562 HydrophobicContact CD1-CG1 3.53Å; I408-V562 HydrophobicContact CG1-CG1 4.29Å; V409-V562 PolarHBondContact O-N 3.02Å; A410-V562 VanDerWaalsContact CA-O 3.3Å; A410-V562 WeakPolarHBondContact CA-O 3.3Å; A410-V562 HydrophobicContact CB-CG1 4.25Å; Y411-V562 WeakPolarHBondContact CD1-O 3.09Å; Y411-V562 WeakPolarHBondContact CE1-O 3.42Å; Y411-V562 PolarHBondContact N-O 2.82Å; P555-V562 HydrophobicContact CB-CG2 4.47Å; P555-V562 WeakPolarHBondContact O-CG2 3.34Å; V562-W567 HydrophobicContact CG1-CB 4.06Å; V562-W567 HydrophobicContact CG1-CD2 4.32Å; V562-W567 HydrophobicContact CG1-CE3 3.79Å; V562-W567 HydrophobicContact CG1-CG 4.46Å; V562-W567 HydrophobicContact CG2-CB 4.01Å
563	N	92.4	Very high	80	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.011	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127	161.9	165.9	-108.3	0	0	0	108.8	Y411 P412 Y413 A565 K566	Y411-N563 HydrophobicContact CD2-CB 4.38Å; Y411-N563 HydrophobicContact CE1-CB 4.39Å; Y411-N563 HydrophobicContact CE2-CB 3.75Å; Y411-N563 WeakPolarHBondContact O-CA 3.48Å; Y411-N563 PolarHBondContact O-ND2 3.03Å; Y411-N563 VanDerWaalsContact O-ND2 3.12Å; P412-N563 PolarHBondContact O-ND2 2.89Å; Y413-N563 PolarHBondContact N-ND2 3.13Å; Y413-N563 PolarHBondContact O-ND2 3.09Å; N563-A565 PolarHBondContact O-N 3.32Å; N563-A565 PolarHBondContact OD1-N 2.99Å; N563-K566 HydrophobicContact CB-CD 4.5Å; N563-K566 HydrophobicContact CB-CG 4.3Å; N563-K566 WeakPolarHBondContact O-CB 3.25Å; N563-K566 PolarHBondContact O-N 2.82Å; N563-K566 PolarHBondContact OD1-N 3.25Å
564	R	91.9	Very high	81.6	Confident	20 Å²	20	39.8 Å²	39.8	8%	0.075	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-41.1	-171.3	180	57.3	174.2	-147.8	-13.2	113.1	A410 Y411 D414 K566 W567 K568	A410-R564 HydrophobicContact CB-CB 4.15Å; Y411-R564 PolarHBondContact O-N 3.49Å; D414-R564 HydrophobicContact CB-CB 4.12Å; D414-R564 HydrophobicContact CB-CG 3.73Å; D414-R564 WeakPolarHBondContact OD1-CB 3.42Å; D414-R564 WeakPolarHBondContact OD1-CG 3.33Å; R564-K566 PolarHBondContact O-N 2.86Å; R564-W567 PolarHBondContact O-N 3.25Å; R564-K568 WeakPolarHBondContact CD-O 3.48Å; R564-K568 PolarHBondContact NE-O 3.33Å; R564-K568 CarbonylContact O-C 3.58Å; R564-K568 PolarHBondContact O-N 3.05Å
565	A	92.2	Very high	83.5	Confident	3 Å²	3	32.7 Å²	32.7	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-24.1	175.8	0	0	0	0	0	114.6	Y413 D414 L416 N563	Y413-A565 VanDerWaalsContact O-CB 3.22Å; Y413-A565 WeakPolarHBondContact O-CB 3.46Å; Y413-A565 PolarHBondContact O-N 3.4Å; D414-A565 WeakPolarHBondContact O-CA 3.11Å; L416-A565 HydrophobicContact CB-CB 4.32Å; L416-A565 HydrophobicContact CD1-CB 4.48Å; N563-A565 PolarHBondContact O-N 3.32Å; N563-A565 PolarHBondContact OD1-N 2.99Å
566	K	87.7	Confident	85.7	Confident	106 Å²	106	31.1 Å²	31.1	46%	0.461	19%	0.188	S	C	.	.	H	α-helix	trans	-74.4	-24.8	172.6	-75.6	-168.8	177.9	-164.2	0	114.1	E518 P519 N563 R564	E518-K566 IonicContact OE1-NZ 3.79Å; E518-K566 PolarHBondContact OE1-NZ 3.33Å; E518-K566 VanDerWaalsContact OE2-CE 3.26Å; E518-K566 WeakPolarHBondContact OE2-CE 3.39Å; E518-K566 IonicContact OE2-NZ 2.78Å; E518-K566 PolarHBondContact OE2-NZ 2.81Å; P519-K566 VanDerWaalsContact CD-CE 3.5Å; P519-K566 HydrophobicContact CG-CD 4.18Å; P519-K566 VanDerWaalsContact CG-CE 3.45Å; P519-K566 HydrophobicContact CG-CG 3.55Å; N563-K566 HydrophobicContact CB-CD 4.5Å; N563-K566 HydrophobicContact CB-CG 4.3Å; N563-K566 WeakPolarHBondContact O-CB 3.25Å; N563-K566 PolarHBondContact O-N 2.82Å; N563-K566 PolarHBondContact OD1-N 3.25Å; R564-K566 PolarHBondContact O-N 2.86Å
567	W	85.2	Confident	87.8	Confident	33 Å²	33	30.1 Å²	30.1	13%	0.125	18%	0.179	C	C	.	.	H	α-helix	trans	-106.3	-58.4	-170.1	172.8	38.8	0	0	0	112.8	E406 I408 D553 P555 V562 R564 F590	E406-W567 HydrophobicContact CB-CH2 3.67Å; E406-W567 HydrophobicContact CB-CZ2 4.08Å; E406-W567 HydrophobicContact CG-CH2 3.56Å; E406-W567 HydrophobicContact CG-CZ2 3.69Å; I408-W567 HydrophobicContact CG2-CE3 4.39Å; I408-W567 HydrophobicContact CG2-CH2 3.81Å; I408-W567 HydrophobicContact CG2-CZ3 3.61Å; D553-W567 PolarHBondContact OD2-NE1 3.01Å; P555-W567 HydrophobicContact CB-CB 4.22Å; P555-W567 VanDerWaalsContact CB-CD1 3.41Å; P555-W567 HydrophobicContact CB-CD2 4.25Å; P555-W567 HydrophobicContact CB-CG 3.71Å; P555-W567 HydrophobicContact CG-CD2 4.45Å; P555-W567 HydrophobicContact CG-CG 4.35Å; V562-W567 HydrophobicContact CG1-CB 4.06Å; V562-W567 HydrophobicContact CG1-CD2 4.32Å; V562-W567 HydrophobicContact CG1-CE3 3.79Å; V562-W567 HydrophobicContact CG1-CG 4.46Å; V562-W567 HydrophobicContact CG2-CB 4.01Å; R564-W567 PolarHBondContact O-N 3.25Å; W567-F590 HydrophobicContact CZ3-CD2 4.18Å; W567-F590 HydrophobicContact CZ3-CE2 4.07Å; W567-F590 HydrophobicContact CZ3-CZ 4.45Å
568	K	85.1	Confident	89.9	Confident	80 Å²	80	27.8 Å²	27.8	35%	0.348	16%	0.156	S	C	.	.	S	Bend	trans	-145.3	86	-178.3	-72.5	-177.8	-177.9	173.8	0	107.4	R564	R564-K568 WeakPolarHBondContact CD-O 3.48Å; R564-K568 PolarHBondContact NE-O 3.33Å; R564-K568 CarbonylContact O-C 3.58Å; R564-K568 PolarHBondContact O-N 3.05Å
569	P	90.4	Very high	91.8	Very high	70 Å²	70	25.1 Å²	25.1	46%	0.455	13%	0.133	S	C	.	.			trans	-70.1	139.4	-171.8	29	-35.8	0	0	0	112	D414 L416	D414-P569 CarbonylContact O-C 3.41Å; D414-P569 VanDerWaalsContact O-CA 3.27Å; D414-P569 WeakPolarHBondContact O-CA 3.44Å; L416-P569 HydrophobicContact CB-CB 3.5Å; L416-P569 VanDerWaalsContact CB-CB 3.5Å; L416-P569 HydrophobicContact CB-CG 4.17Å; L416-P569 HydrophobicContact CD2-CB 4.44Å; L416-P569 HydrophobicContact CD2-CG 4.23Å
570	V	92.1	Very high	92.9	Very high	10 Å²	10	21.9 Å²	21.9	6%	0.061	11%	0.114	C	C	.	.			trans	-135.8	126.9	-173.6	168.2	0	0	0	0	109.5	F340 Q341 D414 S415	F340-V570 HydrophobicContact CD1-CG1 4.35Å; F340-V570 HydrophobicContact CE1-CG1 4.22Å; F340-V570 HydrophobicContact CE1-CG2 4.5Å; Q341-V570 HydrophobicContact CB-CG1 4.16Å; Q341-V570 HydrophobicContact CG-CG1 3.61Å; D414-V570 CarbonylContact C-O 3.53Å; D414-V570 VanDerWaalsContact C-O 3.26Å; D414-V570 HydrophobicContact CB-CB 4.46Å; D414-V570 PolarHBondContact O-N 3.2Å; S415-V570 WeakPolarHBondContact CA-O 3.42Å; S415-V570 PolarHBondContact N-O 2.91Å; S415-V570 VanDerWaalsContact N-O 3.11Å
571	T	93.7	Very high	93.4	Very high	88 Å²	88	23 Å²	23	54%	0.54	12%	0.118	S	C	.	.	S	Bend	trans	-91.7	144.9	170.8	52.5	0	0	0	0	110.7
572	G	93.4	Very high	93.8	Very high	5 Å²	5	22.4 Å²	22.4	5%	0.052	12%	0.116	C	C	.	.	S	Bend	trans	70.9	35	-179.9	0	0	0	0	0	113.1	Q341 F343	Q341-G572 CarbonylContact C-O 3.5Å; F343-G572 WeakPolarHBondContact CA-O 3.32Å; F343-G572 WeakPolarHBondContact CB-O 3.09Å; F343-G572 PolarHBondContact N-O 2.89Å; F343-G572 WeakPolarHBondContact O-CA 3.28Å
573	S	96.7	Very high	94.1	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.007	12%	0.118	C	C	.	.			trans	-77.1	152.3	-177.3	93.1	0	0	0	0	113.2	F340 D414 N575 D576 F577	F340-S573 CarbonylContact O-C 3.54Å; F340-S573 WeakPolarHBondContact O-CA 3.33Å; D414-S573 WeakPolarHBondContact CB-OG 3.06Å; D414-S573 VanDerWaalsContact CG-OG 3.29Å; D414-S573 WeakPolarHBondContact OD2-CB 3.39Å; D414-S573 PolarHBondContact OD2-OG 3.26Å; S573-N575 VanDerWaalsContact C-N 3.33Å; S573-N575 PolarHBondContact O-N 3.27Å; S573-N575 PolarHBondContact OG-N 3.15Å; S573-D576 WeakPolarHBondContact OG-CB 3.34Å; S573-D576 PolarHBondContact OG-N 3.38Å; S573-F577 VanDerWaalsContact O-CB 3.27Å; S573-F577 WeakPolarHBondContact O-CB 3.36Å; S573-F577 PolarHBondContact O-N 3.42Å
574	M	97.1	Very high	94.4	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-61.3	-39.5	173	-169.7	167.6	77.8	0	0	112.6	L265 L309 F340 F343 I387 M391 N401 S578 E586	L265-M574 HydrophobicContact CD1-CE 3.93Å; L265-M574 HydrophobicContact CD2-CE 3.94Å; L265-M574 HydrophobicContact CD2-SD 3.89Å; L265-M574 HydrophobicContact CG-CE 4.35Å; L309-M574 HydrophobicContact CD1-CE 4.45Å; L309-M574 HydrophobicContact CD1-SD 4.35Å; F340-M574 HydrophobicContact CD2-CB 4Å; F340-M574 HydrophobicContact CE2-CB 4.25Å; F340-M574 PolarHBondContact O-N 3.29Å; F340-M574 VanDerWaalsContact O-N 3.07Å; F343-M574 HydrophobicContact CD2-CB 3.84Å; F343-M574 HydrophobicContact CD2-CG 4.29Å; F343-M574 HydrophobicContact CE1-CG 3.96Å; F343-M574 HydrophobicContact CE2-CB 3.52Å; F343-M574 HydrophobicContact CE2-CG 3.63Å; F343-M574 HydrophobicContact CE2-SD 3.97Å; F343-M574 HydrophobicContact CG-CB 4.49Å; F343-M574 HydrophobicContact CZ-CB 3.91Å; F343-M574 HydrophobicContact CZ-CG 3.45Å; F343-M574 VanDerWaalsContact CZ-CG 3.45Å; F343-M574 HydrophobicContact CZ-SD 3.66Å; I387-M574 HydrophobicContact CG2-SD 4.13Å; M391-M574 HydrophobicContact CE-CG 3.43Å; M391-M574 VanDerWaalsContact CE-CG 3.43Å; M391-M574 HydrophobicContact CE-SD 3.76Å; N401-M574 HydrophobicContact CB-CE 3.63Å; M574-S578 WeakPolarHBondContact O-CB 3.43Å; M574-S578 PolarHBondContact O-N 3.32Å; M574-E586 WeakPolarHBondContact CE-OE1 3.46Å
575	N	97.2	Very high	94.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.6	-49.1	-178.3	-54.4	-30.6	0	0	0	111.5	N401 P412 D414 S573 F577 S578 Y579 S588	N401-N575 PolarHBondContact ND2-OD1 3.18Å; P412-N575 HydrophobicContact CG-CB 3.86Å; D414-N575 PolarHBondContact OD1-ND2 2.91Å; D414-N575 WeakPolarHBondContact OD2-CB 3.36Å; D414-N575 PolarHBondContact OD2-ND2 3.46Å; S573-N575 VanDerWaalsContact C-N 3.33Å; S573-N575 PolarHBondContact O-N 3.27Å; S573-N575 PolarHBondContact OG-N 3.15Å; N575-F577 VanDerWaalsContact C-N 3.31Å; N575-F577 PolarHBondContact O-N 2.89Å; N575-S578 WeakPolarHBondContact O-CB 3.29Å; N575-S578 PolarHBondContact O-N 2.83Å; N575-S578 VanDerWaalsContact O-N 3.16Å; N575-Y579 PolarHBondContact O-N 2.95Å; N575-S588 PolarHBondContact ND2-OG 3.05Å; N575-S588 PolarHBondContact OD1-OG 2.76Å
576	D	97.6	Very high	94.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66	-38.9	-178.9	-74.9	0.2	0	0	0	109.7	N347 Y413 D414 S415 S573 L580	N347-D576 PolarHBondContact ND2-OD2 3.08Å; N347-D576 WeakPolarHBondContact OD1-CB 3.46Å; Y413-D576 WeakPolarHBondContact CA-OD1 3.4Å; D414-D576 VanDerWaalsContact N-CG 3.34Å; D414-D576 PolarHBondContact N-OD1 3.4Å; D414-D576 PolarHBondContact N-OD2 3.28Å; S415-D576 PolarHBondContact N-OD2 3.33Å; S573-D576 WeakPolarHBondContact OG-CB 3.34Å; S573-D576 PolarHBondContact OG-N 3.38Å; D576-L580 WeakPolarHBondContact O-CB 3.37Å; D576-L580 WeakPolarHBondContact O-CG 3.28Å; D576-L580 PolarHBondContact O-N 2.81Å
577	F	97.7	Very high	95.4	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.009	9%	0.091	C	C	.	.	H	α-helix	trans	-60.1	-45.7	170.5	179.1	-88.6	0	0	0	112.3	F343 P344 L346 I370 I388 M391 S573 N575 Y579 L580 H581	F343-F577 HydrophobicContact CB-CB 3.85Å; F343-F577 HydrophobicContact CB-CD2 4.28Å; F343-F577 HydrophobicContact CB-CG 4.12Å; F343-F577 HydrophobicContact CD1-CB 3.85Å; F343-F577 AromaticContact CD1-CD1 3.57Å; F343-F577 HydrophobicContact CD1-CD1 3.57Å; F343-F577 HydrophobicContact CD1-CD2 4.15Å; F343-F577 HydrophobicContact CD1-CE1 4.19Å; F343-F577 AromaticContact CD1-CG 3.56Å; F343-F577 HydrophobicContact CD1-CG 3.56Å; F343-F577 HydrophobicContact CE1-CD1 4.03Å; F343-F577 HydrophobicContact CE1-CE1 4.49Å; F343-F577 HydrophobicContact CE1-CG 4.45Å; F343-F577 HydrophobicContact CG-CB 4.1Å; F343-F577 HydrophobicContact CG-CG 4.23Å; P344-F577 HydrophobicContact CG-CD2 4.38Å; P344-F577 HydrophobicContact CG-CE2 4.17Å; L346-F577 HydrophobicContact CD1-CD2 3.71Å; L346-F577 HydrophobicContact CD1-CE2 3.94Å; L346-F577 HydrophobicContact CG-CD2 4.18Å; I370-F577 HydrophobicContact CD1-CE2 3.77Å; I370-F577 HydrophobicContact CD1-CZ 3.76Å; I370-F577 HydrophobicContact CG1-CE2 4.05Å; I370-F577 HydrophobicContact CG1-CZ 4.42Å; I388-F577 HydrophobicContact CB-CE1 4.5Å; I388-F577 HydrophobicContact CB-CZ 4.37Å; I388-F577 HydrophobicContact CD1-CE1 4.48Å; I388-F577 HydrophobicContact CD1-CE2 4.26Å; I388-F577 HydrophobicContact CD1-CZ 4.1Å; I388-F577 HydrophobicContact CG1-CD1 4.44Å; I388-F577 HydrophobicContact CG1-CE1 3.79Å; I388-F577 HydrophobicContact CG1-CE2 4.4Å; I388-F577 HydrophobicContact CG1-CZ 3.76Å; I388-F577 HydrophobicContact CG2-CE1 4.39Å; I388-F577 HydrophobicContact CG2-CZ 3.87Å; M391-F577 HydrophobicContact SD-CD1 3.92Å; M391-F577 HydrophobicContact SD-CE1 4.02Å; S573-F577 VanDerWaalsContact O-CB 3.27Å; S573-F577 WeakPolarHBondContact O-CB 3.36Å; S573-F577 PolarHBondContact O-N 3.42Å; N575-F577 VanDerWaalsContact C-N 3.31Å; N575-F577 PolarHBondContact O-N 2.89Å; F577-Y579 PolarHBondContact O-N 2.79Å; F577-L580 PolarHBondContact O-N 2.62Å; F577-H581 HydrophobicContact CD1-CB 4.36Å; F577-H581 HydrophobicContact CD2-CB 4.29Å; F577-H581 HydrophobicContact CE1-CB 4Å; F577-H581 HydrophobicContact CE2-CB 3.93Å; F577-H581 AromaticContact CE2-CG 3.99Å; F577-H581 HydrophobicContact CG-CB 4.48Å; F577-H581 HydrophobicContact CZ-CB 3.77Å; F577-H581 AromaticContact CZ-CD2 3.49Å; F577-H581 VanDerWaalsContact CZ-CD2 3.49Å; F577-H581 WeakPolarHBondContact CZ-CD2 3.42Å; F577-H581 AromaticContact CZ-CG 3.7Å; F577-H581 WeakPolarHBondContact O-CB 3.5Å; F577-H581 PolarHBondContact O-N 3.48Å
578	S	97.6	Very high	96	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.3	-51.7	178.7	-176.4	0	0	0	0	111.3	R260 M574 N575 T582 C584	R260-S578 PolarHBondContact NH2-OG 2.91Å; M574-S578 WeakPolarHBondContact O-CB 3.43Å; M574-S578 PolarHBondContact O-N 3.32Å; N575-S578 WeakPolarHBondContact O-CB 3.29Å; N575-S578 PolarHBondContact O-N 2.83Å; N575-S578 VanDerWaalsContact O-N 3.16Å; S578-T582 WeakPolarHBondContact O-CB 3.36Å; S578-T582 PolarHBondContact O-N 3.35Å; S578-T582 PolarHBondContact O-OG1 2.87Å; S578-C584 CarbonylContact C-O 3.58Å; S578-C584 WeakPolarHBondContact OG-CB 3.21Å; S578-C584 PolarHBondContact OG-O 3.48Å
579	Y	98.1	Very high	96.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67.8	-38.5	-179.2	-179.1	-110.8	0	0	0	112.7	Y413 T522 P523 D524 F528 N575 F577 Y585 H648	Y413-Y579 HydrophobicContact CE1-CD1 4.06Å; Y413-Y579 HydrophobicContact CE1-CE1 4.29Å; T522-Y579 HydrophobicContact CG2-CD1 4.22Å; T522-Y579 HydrophobicContact CG2-CE1 3.82Å; P523-Y579 WeakPolarHBondContact CD-OH 3.43Å; D524-Y579 HydrophobicContact CB-CE2 4.48Å; D524-Y579 PolarHBondContact OD2-OH 2.71Å; F528-Y579 AromaticContact CE2-CD2 3.76Å; F528-Y579 HydrophobicContact CE2-CD2 3.76Å; F528-Y579 AromaticContact CE2-CE2 3.59Å; F528-Y579 HydrophobicContact CE2-CE2 3.59Å; F528-Y579 HydrophobicContact CE2-CG 4.3Å; F528-Y579 AromaticContact CZ-CD2 3.61Å; F528-Y579 HydrophobicContact CZ-CD2 3.61Å; F528-Y579 AromaticContact CZ-CE2 3.94Å; F528-Y579 HydrophobicContact CZ-CE2 3.94Å; F528-Y579 HydrophobicContact CZ-CG 4.09Å; N575-Y579 PolarHBondContact O-N 2.95Å; F577-Y579 PolarHBondContact O-N 2.79Å; Y579-Y585 HydrophobicContact CD2-CD1 4.35Å; Y579-Y585 HydrophobicContact CD2-CE1 4.24Å; Y579-Y585 HydrophobicContact CE2-CD1 4.24Å; Y579-Y585 AromaticContact CE2-CE1 3.73Å; Y579-Y585 HydrophobicContact CE2-CE1 3.73Å; Y579-H648 AromaticContact CD2-NE2 3.78Å; Y579-H648 AromaticContact CE2-CD2 3.36Å; Y579-H648 WeakPolarHBondContact CE2-CD2 3.47Å; Y579-H648 AromaticContact CE2-CE1 3.95Å; Y579-H648 AromaticContact CE2-NE2 3.37Å; Y579-H648 WeakPolarHBondContact CE2-NE2 3.12Å; Y579-H648 AromaticContact CZ-CD2 3.52Å; Y579-H648 AromaticContact CZ-CG 3.68Å; Y579-H648 AromaticContact CZ-NE2 3.83Å; Y579-H648 PolarHBondContact O-CE1 3.21Å; Y579-H648 WeakPolarHBondContact OH-CB 3.27Å; Y579-H648 PolarHBondContact OH-CD2 3.16Å
580	L	97.5	Very high	96.9	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-82.6	-30.9	-177.1	-66	179.6	0	0	0	113.8	L346 N347 L350 H367 V368 Y413 D576 F577	L346-L580 HydrophobicContact CB-CB 3.99Å; L346-L580 HydrophobicContact CB-CD1 3.86Å; L346-L580 HydrophobicContact CD1-CB 4.18Å; N347-L580 HydrophobicContact CB-CD1 4.34Å; L350-L580 HydrophobicContact CD2-CD2 3.6Å; H367-L580 CarbonylContact C-O 3.52Å; H367-L580 WeakPolarHBondContact CA-O 3.17Å; H367-L580 PolarHBondContact N-O 3.07Å; V368-L580 HydrophobicContact CG2-CB 4.4Å; V368-L580 PolarHBondContact N-O 3.45Å; Y413-L580 HydrophobicContact CE1-CD1 4.25Å; Y413-L580 HydrophobicContact CE1-CD2 4.03Å; Y413-L580 HydrophobicContact CE1-CG 4.25Å; D576-L580 WeakPolarHBondContact O-CB 3.37Å; D576-L580 WeakPolarHBondContact O-CG 3.28Å; D576-L580 PolarHBondContact O-N 2.81Å; F577-L580 PolarHBondContact O-N 2.62Å
581	H	97.2	Very high	97	Very high	25 Å²	25	8.2 Å²	8.2	12%	0.116	5%	0.047	C	C	.	.	H	α-helix	trans	-99.2	-22.2	-176.4	-161.2	54.3	0	0	0	114.8	L346 H367 V368 K392 F577	L346-H581 HydrophobicContact CD1-CB 3.65Å; H367-H581 WeakPolarHBondContact CA-O 3.32Å; V368-H581 PolarHBondContact O-ND1 2.84Å; K392-H581 WeakPolarHBondContact CE-NE2 3.48Å; F577-H581 HydrophobicContact CD1-CB 4.36Å; F577-H581 HydrophobicContact CD2-CB 4.29Å; F577-H581 HydrophobicContact CE1-CB 4Å; F577-H581 HydrophobicContact CE2-CB 3.93Å; F577-H581 AromaticContact CE2-CG 3.99Å; F577-H581 HydrophobicContact CG-CB 4.48Å; F577-H581 HydrophobicContact CZ-CB 3.77Å; F577-H581 AromaticContact CZ-CD2 3.49Å; F577-H581 VanDerWaalsContact CZ-CD2 3.49Å; F577-H581 WeakPolarHBondContact CZ-CD2 3.42Å; F577-H581 AromaticContact CZ-CG 3.7Å; F577-H581 WeakPolarHBondContact O-CB 3.5Å; F577-H581 PolarHBondContact O-N 3.48Å
582	T	97.6	Very high	96.9	Very high	12 Å²	12	4.7 Å²	4.7	7%	0.074	3%	0.029	C	C	.	.	S	Bend	trans	-125.9	-162.4	-174.1	79.9	0	0	0	0	111.5	H367 M391 S578 C584	H367-T582 PolarHBondContact CE1-O 2.87Å; H367-T582 VanDerWaalsContact CE1-O 3.31Å; H367-T582 PolarHBondContact ND1-O 2.57Å; M391-T582 HydrophobicContact CB-CG2 4.25Å; S578-T582 WeakPolarHBondContact O-CB 3.36Å; S578-T582 PolarHBondContact O-N 3.35Å; S578-T582 PolarHBondContact O-OG1 2.87Å; T582-C584 WeakPolarHBondContact OG1-CB 3.27Å; T582-C584 PolarHBondContact OG1-N 3Å
583	N	97.9	Very high	96.7	Very high	21 Å²	21	5.3 Å²	5.3	11%	0.112	3%	0.032	C	C	.	.	S	Bend	trans	-95.8	-5.4	167.4	-68.6	-46	0	0	0	112.7	H367 F396 Y585 V650 T651	H367-N583 PolarHBondContact CE1-OD1 3.14Å; H367-N583 VanDerWaalsContact CE1-OD1 3.27Å; F396-N583 CarbonylContact O-C 3.26Å; N583-Y585 WeakPolarHBondContact O-CD2 3.27Å; N583-V650 HydrophobicContact CB-CG1 4.36Å; N583-V650 VanDerWaalsContact OD1-CA 3.28Å; N583-V650 WeakPolarHBondContact OD1-CA 3.44Å; N583-V650 WeakPolarHBondContact OD1-CB 3.15Å; N583-T651 PolarHBondContact ND2-O 3.04Å; N583-T651 PolarHBondContact ND2-OG1 2.65Å; N583-T651 PolarHBondContact OD1-N 2.99Å; N583-T651 PolarHBondContact OD1-OG1 3.43Å
584	C	98.4	Very high	96.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.036	C	C	.	.			trans	-85.1	119.4	-164.7	-175.9	0	0	0	0	112.5	F396 S578 T582	F396-C584 HydrophobicContact CB-CB 3.64Å; F396-C584 WeakPolarHBondContact O-CA 3.28Å; F396-C584 WeakPolarHBondContact O-CB 3.46Å; F396-C584 PolarHBondContact O-N 3.27Å; S578-C584 CarbonylContact C-O 3.58Å; S578-C584 WeakPolarHBondContact OG-CB 3.21Å; S578-C584 PolarHBondContact OG-O 3.48Å; T582-C584 WeakPolarHBondContact OG1-CB 3.27Å; T582-C584 PolarHBondContact OG1-N 3Å
585	Y	98.5	Very high	96.5	Very high	3 Å²	3	6.5 Å²	6.5	1%	0.012	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	122	170.3	-68.3	-107.9	0	0	0	108	V397 L398 G399 D524 L527 F528 Y579 N583 H648 R660 L661	V397-Y585 PolarHBondContact O-N 3.32Å; V397-Y585 VanDerWaalsContact O-N 3.09Å; L398-Y585 CarbonylContact C-O 3.54Å; L398-Y585 WeakPolarHBondContact CA-O 3.02Å; G399-Y585 PolarHBondContact N-O 3.32Å; D524-Y585 HydrophobicContact CB-CE1 3.79Å; D524-Y585 PolarHBondContact OD2-OH 2.76Å; L527-Y585 HydrophobicContact CD2-CD1 3.87Å; L527-Y585 HydrophobicContact CD2-CE1 3.59Å; F528-Y585 HydrophobicContact CD2-CD1 4.43Å; F528-Y585 AromaticContact CE1-CD1 3.99Å; F528-Y585 HydrophobicContact CE1-CD1 3.99Å; F528-Y585 AromaticContact CE2-CD1 3.81Å; F528-Y585 HydrophobicContact CE2-CD1 3.81Å; F528-Y585 HydrophobicContact CE2-CE1 4.11Å; F528-Y585 AromaticContact CZ-CD1 3.56Å; F528-Y585 HydrophobicContact CZ-CD1 3.56Å; F528-Y585 HydrophobicContact CZ-CE1 4.27Å; F528-Y585 HydrophobicContact CZ-CG 4.28Å; Y579-Y585 HydrophobicContact CD2-CD1 4.35Å; Y579-Y585 HydrophobicContact CD2-CE1 4.24Å; Y579-Y585 HydrophobicContact CE2-CD1 4.24Å; Y579-Y585 AromaticContact CE2-CE1 3.73Å; Y579-Y585 HydrophobicContact CE2-CE1 3.73Å; N583-Y585 WeakPolarHBondContact O-CD2 3.27Å; Y585-H648 PolarHBondContact OH-CD2 2.98Å; Y585-R660 PolarHBondContact OH-NE 3.28Å; Y585-R660 PolarHBondContact OH-NH1 3.4Å; Y585-R660 PolarHBondContact OH-NH2 3.23Å; Y585-L661 HydrophobicContact CD2-CD1 3.98Å; Y585-L661 HydrophobicContact CG-CD1 4.06Å
586	E	97	Very high	96.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.2	-177.6	-167.2	153.9	78.1	0	0	112.2	R260 G399 P412 M574	R260-E586 IonicContact CZ-OE2 2.95Å; R260-E586 IonicContact NE-OE2 3.99Å; R260-E586 PolarHBondContact NE-OE2 3.43Å; R260-E586 IonicContact NH2-OE1 3.65Å; R260-E586 PolarHBondContact NH2-OE1 3.11Å; R260-E586 VanDerWaalsContact NH2-OE1 3.15Å; R260-E586 IonicContact NH2-OE2 3.54Å; R260-E586 PolarHBondContact NH2-OE2 3.43Å; G399-E586 WeakPolarHBondContact O-CA 3.49Å; P412-E586 WeakPolarHBondContact CD-O 3.47Å; M574-E586 WeakPolarHBondContact CE-OE1 3.46Å
587	L	98	Very high	96.3	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	151.8	174.6	-62.2	-174.6	0	0	0	110.7	G399 A400 N401 V409 F528 L531 A532 F616	G399-L587 PolarHBondContact O-N 3.42Å; A400-L587 CarbonylContact C-O 3.22Å; A400-L587 VanDerWaalsContact CA-O 3.25Å; A400-L587 WeakPolarHBondContact CA-O 3.44Å; A400-L587 HydrophobicContact CB-CB 4.32Å; N401-L587 PolarHBondContact N-O 2.88Å; N401-L587 PolarHBondContact ND2-O 2.68Å; V409-L587 HydrophobicContact CG1-CB 4.33Å; V409-L587 HydrophobicContact CG1-CD1 3.82Å; F528-L587 HydrophobicContact CD1-CD2 3.8Å; F528-L587 HydrophobicContact CE1-CD2 4.37Å; L531-L587 HydrophobicContact CB-CD1 3.99Å; A532-L587 HydrophobicContact CB-CD1 4.35Å; L587-F616 HydrophobicContact CD1-CE2 3.57Å; L587-F616 HydrophobicContact CD1-CZ 4.01Å; L587-F616 HydrophobicContact CG-CE2 4.34Å; L587-F616 HydrophobicContact CG-CZ 4.33Å
588	S	97.6	Very high	96.1	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.8	163.6	-67.4	0	0	0	0	109.9	F340 N401 Q403 A410 N575	F340-S588 WeakPolarHBondContact CE2-OG 3.21Å; N401-S588 WeakPolarHBondContact O-CA 3.49Å; N401-S588 WeakPolarHBondContact OD1-CA 3.5Å; N401-S588 WeakPolarHBondContact OD1-CB 3.42Å; N401-S588 PolarHBondContact OD1-OG 2.71Å; Q403-S588 PolarHBondContact NE2-OG 3.02Å; A410-S588 PolarHBondContact N-O 2.67Å; A410-S588 PolarHBondContact O-N 3.22Å; N575-S588 PolarHBondContact ND2-OG 3.05Å; N575-S588 PolarHBondContact OD1-OG 2.76Å
589	I	97.8	Very high	95.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	111.2	-177.9	-61.8	171.2	0	0	0	107.7	A400 N401 F402 Q403 V409 Y535 L591	A400-I589 HydrophobicContact CB-CD1 3.52Å; A400-I589 HydrophobicContact CB-CG1 4.16Å; N401-I589 PolarHBondContact O-N 2.75Å; F402-I589 WeakPolarHBondContact CA-O 3.45Å; F402-I589 HydrophobicContact CD1-CB 3.88Å; F402-I589 HydrophobicContact CD1-CD1 4.36Å; F402-I589 HydrophobicContact CD1-CG2 3.97Å; F402-I589 HydrophobicContact CE1-CB 4.16Å; F402-I589 HydrophobicContact CE1-CD1 3.82Å; F402-I589 HydrophobicContact CE1-CG2 4.11Å; Q403-I589 PolarHBondContact N-O 3.28Å; V409-I589 HydrophobicContact CG1-CG1 4.14Å; V409-I589 HydrophobicContact CG2-CG1 4.45Å; Y535-I589 HydrophobicContact CD1-CD1 4.21Å; Y535-I589 HydrophobicContact CD1-CG2 3.93Å; Y535-I589 HydrophobicContact CD2-CD1 3.63Å; Y535-I589 HydrophobicContact CE1-CD1 4.25Å; Y535-I589 HydrophobicContact CE1-CG2 3.39Å; Y535-I589 HydrophobicContact CE2-CD1 3.67Å; Y535-I589 HydrophobicContact CE2-CG2 4.49Å; Y535-I589 HydrophobicContact CG-CD1 3.91Å; I589-L591 HydrophobicContact CG2-CD2 3.9Å
590	F	95.7	Very high	95.5	Very high	9 Å²	9	15.7 Å²	15.7	4%	0.039	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	117.9	175.4	-61.8	-96.5	0	0	0	108.5	Q403 E406 A407 I408 A410 M542 W567	Q403-F590 HydrophobicContact CB-CD1 3.6Å; Q403-F590 HydrophobicContact CB-CE1 3.46Å; Q403-F590 VanDerWaalsContact CB-CE1 3.46Å; Q403-F590 HydrophobicContact CB-CG 4.23Å; Q403-F590 HydrophobicContact CB-CZ 3.97Å; Q403-F590 HydrophobicContact CG-CE1 4.21Å; Q403-F590 HydrophobicContact CG-CZ 4.35Å; Q403-F590 WeakPolarHBondContact O-CA 3.26Å; E406-F590 HydrophobicContact CB-CB 3.91Å; E406-F590 HydrophobicContact CB-CD1 4.34Å; E406-F590 HydrophobicContact CB-CG 4.23Å; E406-F590 CarbonylContact O-C 3.5Å; E406-F590 WeakPolarHBondContact O-CB 3.33Å; A407-F590 WeakPolarHBondContact CA-O 3.42Å; I408-F590 HydrophobicContact CG2-CB 4.04Å; I408-F590 HydrophobicContact CG2-CD2 3.86Å; I408-F590 HydrophobicContact CG2-CG 4.17Å; I408-F590 PolarHBondContact N-O 3.11Å; I408-F590 WeakPolarHBondContact O-CB 3.41Å; I408-F590 PolarHBondContact O-N 2.8Å; A410-F590 HydrophobicContact CB-CD2 4.41Å; A410-F590 HydrophobicContact CB-CE2 3.95Å; M542-F590 WeakPolarHBondContact CE-O 3.41Å; W567-F590 HydrophobicContact CZ3-CD2 4.18Å; W567-F590 HydrophobicContact CZ3-CE2 4.07Å; W567-F590 HydrophobicContact CZ3-CZ 4.45Å
591	L	94.6	Very high	95.2	Very high	4 Å²	4	16 Å²	16	2%	0.021	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-29.8	-164.9	-64.9	168.6	0	0	0	114	V271 L275 F402 Q403 E406 I589 N609	V271-L591 HydrophobicContact CB-CB 4.45Å; V271-L591 HydrophobicContact CB-CD1 3.94Å; V271-L591 HydrophobicContact CG1-CB 4.25Å; V271-L591 HydrophobicContact CG1-CD1 3.89Å; L275-L591 HydrophobicContact CD1-CD1 3.71Å; L275-L591 HydrophobicContact CD1-CD2 3.87Å; L275-L591 HydrophobicContact CD1-CG 4.41Å; F402-L591 HydrophobicContact CB-CD1 3.83Å; F402-L591 HydrophobicContact CB-CG 4.48Å; F402-L591 HydrophobicContact CD1-CD1 4.09Å; F402-L591 HydrophobicContact CD1-CD2 3.84Å; F402-L591 HydrophobicContact CD1-CG 4.19Å; F402-L591 HydrophobicContact CE1-CD2 4.3Å; F402-L591 HydrophobicContact CG-CD1 4.14Å; Q403-L591 PolarHBondContact O-N 3.04Å; E406-L591 PolarHBondContact O-N 3.1Å; I589-L591 HydrophobicContact CG2-CD2 3.9Å; L591-N609 WeakPolarHBondContact CD2-OD1 3.26Å
592	G	91.4	Very high	95.1	Very high	15 Å²	15	14.9 Å²	14.9	16%	0.155	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	168.1	-175.6	0	0	0	0	0	113.4	G405 E406	G405-G592 CarbonylContact C-O 3.57Å; G405-G592 WeakPolarHBondContact CA-O 3.1Å; G405-G592 PolarHBondContact N-O 3.07Å; E406-G592 PolarHBondContact N-O 2.78Å; E406-G592 CarbonylContact O-C 3.53Å; E406-G592 WeakPolarHBondContact O-CA 3.37Å; E406-G592 PolarHBondContact O-N 3.37Å; E406-G592 VanDerWaalsContact O-O 3.07Å
593	C	90.4	Very high	94.9	Very high	18 Å²	18	14.7 Å²	14.7	12%	0.122	8%	0.084	C	C	.	.	S	Bend	trans	-67.8	-45.5	-178.9	-56	0	0	0	0	112.8	E31 H33 G405 C550	E31-C593 WeakPolarHBondContact O-CB 3.19Å; H33-C593 VanDerWaalsContact CD2-SG 3.55Å; G405-C593 WeakPolarHBondContact CA-O 3.46Å; C550-C593 HydrophobicContact CB-CB 3.52Å; C550-C593 WeakPolarHBondContact CB-SG 3.35Å; C550-C593 WeakPolarHBondContact SG-CA 3.49Å; C550-C593 WeakPolarHBondContact SG-CB 3.49Å; C550-C593 CovalentContact SG-SG 2.02Å; C550-C593 PolarHBondContact SG-SG 3.34Å
594	D	93.4	Very high	94.6	Very high	17 Å²	17	17.5 Å²	17.5	9%	0.091	10%	0.096	C	C	.	.			trans	-75.1	125	174	-169.1	-28.3	0	0	0	109	E31 F596 P597	E31-D594 HydrophobicContact CB-CB 4.48Å; E31-D594 HydrophobicContact CG-CB 3.95Å; D594-F596 PolarHBondContact OD1-N 3.39Å; D594-P597 HydrophobicContact CB-CB 4.07Å; D594-P597 VanDerWaalsContact CG-CA 3.42Å; D594-P597 WeakPolarHBondContact OD1-CA 3.16Å; D594-P597 VanDerWaalsContact OD2-CA 3.26Å; D594-P597 WeakPolarHBondContact OD2-CA 3.29Å
595	K	94.8	Very high	94.4	Very high	10 Å²	10	18.1 Å²	18.1	4%	0.043	10%	0.099	C	C	.	.	S	Bend	trans	-75.3	-34.8	178.6	-67.6	-169.7	169.9	-156.7	0	111.7	N268 E269 A270 W327 H331	N268-K595 CarbonylContact O-C 3.58Å; N268-K595 WeakPolarHBondContact O-CB 3.27Å; E269-K595 CarbonylContact C-O 3.5Å; E269-K595 WeakPolarHBondContact CA-O 3.24Å; E269-K595 HydrophobicContact CG-CB 4.04Å; E269-K595 HydrophobicContact CG-CD 3.75Å; E269-K595 HydrophobicContact CG-CG 3.92Å; E269-K595 VanDerWaalsContact OE1-CE 3.31Å; E269-K595 WeakPolarHBondContact OE1-CE 3.48Å; E269-K595 IonicContact OE1-NZ 3.28Å; E269-K595 PolarHBondContact OE1-NZ 3.33Å; A270-K595 PolarHBondContact N-O 2.94Å; W327-K595 HydrophobicContact CD2-CD 4.23Å; W327-K595 HydrophobicContact CE3-CD 3.95Å; W327-K595 HydrophobicContact CE3-CG 4.23Å; W327-K595 HydrophobicContact CH2-CD 4.42Å; W327-K595 HydrophobicContact CH2-CG 4.43Å; W327-K595 VanDerWaalsContact CZ2-CE 3.48Å; W327-K595 HydrophobicContact CZ3-CD 4.06Å; W327-K595 HydrophobicContact CZ3-CG 3.95Å; H331-K595 PolarHBondContact CE1-NZ 3.05Å
596	F	95.9	Very high	94.3	Very high	6 Å²	6	18.2 Å²	18.2	3%	0.026	10%	0.099	C	C	.	.	S	Bend	trans	-134.6	64.1	-173.9	-152.5	-42.3	0	0	0	109.6	H205 A270 A317 F318 S322 D594	H205-F596 HydrophobicContact CB-CE1 4.26Å; H205-F596 AromaticContact CD2-CE1 3.65Å; H205-F596 AromaticContact CE1-CD1 3.75Å; H205-F596 AromaticContact CE1-CE1 3.63Å; H205-F596 AromaticContact CG-CE1 3.6Å; H205-F596 AromaticContact ND1-CE1 3.61Å; H205-F596 AromaticContact NE2-CD1 3.78Å; H205-F596 AromaticContact NE2-CE1 3.66Å; A270-F596 HydrophobicContact CB-CB 4.47Å; A270-F596 HydrophobicContact CB-CD1 3.82Å; A270-F596 HydrophobicContact CB-CD2 3.92Å; A270-F596 HydrophobicContact CB-CE1 3.96Å; A270-F596 HydrophobicContact CB-CE2 4.04Å; A270-F596 HydrophobicContact CB-CG 3.8Å; A270-F596 HydrophobicContact CB-CZ 4.06Å; A317-F596 HydrophobicContact CB-CD2 3.88Å; A317-F596 HydrophobicContact CB-CE2 3.73Å; F318-F596 HydrophobicContact CB-CZ 4.3Å; F318-F596 HydrophobicContact CD2-CZ 4.27Å; S322-F596 WeakPolarHBondContact CA-O 3.25Å; S322-F596 WeakPolarHBondContact CB-O 3.1Å; D594-F596 PolarHBondContact OD1-N 3.39Å
597	P	94.8	Very high	94.2	Very high	3 Å²	3	21 Å²	21	2%	0.019	11%	0.112	C	C	.	.			trans	-65.3	148	-175.3	27	-35.1	0	0	0	111.2	H205 V271 D594 E601	H205-P597 PolarHBondContact CE1-O 2.88Å; H205-P597 PolarHBondContact NE2-O 3.13Å; V271-P597 HydrophobicContact CG2-CG 3.49Å; V271-P597 VanDerWaalsContact CG2-CG 3.49Å; D594-P597 HydrophobicContact CB-CB 4.07Å; D594-P597 VanDerWaalsContact CG-CA 3.42Å; D594-P597 WeakPolarHBondContact OD1-CA 3.16Å; D594-P597 VanDerWaalsContact OD2-CA 3.26Å; D594-P597 WeakPolarHBondContact OD2-CA 3.29Å; P597-E601 HydrophobicContact CB-CB 4.36Å
598	H	94.4	Very high	93.9	Very high	34 Å²	34	22.8 Å²	22.8	16%	0.157	12%	0.12	C	C	.	.			trans	-56	143	177.6	177.4	-97.4	0	0	0	111.5	P26 P27 E323 S600 E601	P26-H598 WeakPolarHBondContact CB-ND1 3.27Å; P27-H598 HydrophobicContact CG-CB 3.93Å; E323-H598 IonicContact OE1-CD2 2.74Å; E323-H598 PolarHBondContact OE1-CD2 2.95Å; E323-H598 IonicContact OE1-CG 3.37Å; H598-S600 PolarHBondContact ND1-N 2.82Å; H598-S600 PolarHBondContact ND1-OG 2.81Å; H598-S600 PolarHBondContact O-N 2.97Å; H598-E601 PolarHBondContact O-N 2.84Å
599	Q	92.3	Very high	93.9	Very high	93 Å²	93	22.8 Å²	22.8	44%	0.435	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-52.3	-26.2	-171	60.2	-179.5	7.1	0	0	115.2	E601 L602	Q599-E601 PolarHBondContact O-N 3.42Å; Q599-L602 HydrophobicContact CB-CD1 4.14Å; Q599-L602 WeakPolarHBondContact O-CB 3.46Å; Q599-L602 PolarHBondContact O-N 3.48Å
600	S	90.1	Very high	93.8	Very high	59 Å²	59	24.7 Å²	24.7	41%	0.413	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-62.1	-18.4	174.5	59.8	0	0	0	0	114.7	H598	H598-S600 PolarHBondContact ND1-N 2.82Å; H598-S600 PolarHBondContact ND1-OG 2.81Å; H598-S600 PolarHBondContact O-N 2.97Å
601	E	91.8	Very high	93.9	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.028	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-90.6	-16.7	179.1	-48.9	-146.5	157.4	0	0	112.5	S32 K34 P597 H598 Q599 A603 Q604 E605	S32-E601 WeakPolarHBondContact CB-OE2 3.5Å; S32-E601 PolarHBondContact OG-OE2 3.28Å; K34-E601 WeakPolarHBondContact CD-OE1 3.39Å; K34-E601 IonicContact NZ-OE1 3.26Å; K34-E601 PolarHBondContact NZ-OE1 3.09Å; P597-E601 HydrophobicContact CB-CB 4.36Å; H598-E601 PolarHBondContact O-N 2.84Å; Q599-E601 PolarHBondContact O-N 3.42Å; E601-A603 VanDerWaalsContact C-N 3.28Å; E601-A603 PolarHBondContact O-N 3.38Å; E601-Q604 WeakPolarHBondContact O-CA 3.41Å; E601-Q604 WeakPolarHBondContact O-CB 3.14Å; E601-Q604 PolarHBondContact O-N 3Å; E601-E605 PolarHBondContact O-N 2.54Å
602	L	94.7	Very high	94	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-58.5	-34.5	-174.9	-67	174.4	0	0	0	113.7	F203 K204 E274 Q599 Q604 E605 W606	F203-L602 HydrophobicContact CD1-CB 4.36Å; K204-L602 WeakPolarHBondContact O-CD1 3.41Å; E274-L602 HydrophobicContact CB-CD2 4.12Å; E274-L602 HydrophobicContact CG-CD1 4.4Å; E274-L602 HydrophobicContact CG-CD2 4.28Å; Q599-L602 HydrophobicContact CB-CD1 4.14Å; Q599-L602 WeakPolarHBondContact O-CB 3.46Å; Q599-L602 PolarHBondContact O-N 3.48Å; L602-Q604 VanDerWaalsContact C-N 3.31Å; L602-Q604 PolarHBondContact O-N 3.05Å; L602-E605 PolarHBondContact O-N 3.43Å; L602-W606 WeakPolarHBondContact O-CB 3.15Å; L602-W606 PolarHBondContact O-N 3.03Å
603	A	93.3	Very high	94.4	Very high	9 Å²	9	26.4 Å²	26.4	7%	0.074	13%	0.131	C	C	.	.	H	α-helix	trans	-65.7	-34.9	175	0	0	0	0	0	112.4	P197 F203 E601 E607	P197-A603 HydrophobicContact CB-CB 4.34Å; P197-A603 HydrophobicContact CG-CB 3.95Å; F203-A603 HydrophobicContact CD1-CB 3.94Å; F203-A603 HydrophobicContact CE1-CB 4.06Å; F203-A603 HydrophobicContact CG-CB 4.19Å; F203-A603 HydrophobicContact CZ-CB 4.4Å; E601-A603 VanDerWaalsContact C-N 3.28Å; E601-A603 PolarHBondContact O-N 3.38Å; A603-E607 PolarHBondContact O-N 3.05Å
604	Q	91.6	Very high	94.8	Very high	79 Å²	79	25.6 Å²	25.6	37%	0.369	13%	0.126	S	C	.	.	H	α-helix	trans	-75.2	-39.8	175.5	-58.6	-173.2	4.9	0	0	110.9	V195 E601 L602 W606 E607 K608	V195-Q604 HydrophobicContact CB-CG 4.41Å; V195-Q604 HydrophobicContact CG2-CG 4.44Å; E601-Q604 WeakPolarHBondContact O-CA 3.41Å; E601-Q604 WeakPolarHBondContact O-CB 3.14Å; E601-Q604 PolarHBondContact O-N 3Å; L602-Q604 VanDerWaalsContact C-N 3.31Å; L602-Q604 PolarHBondContact O-N 3.05Å; Q604-W606 VanDerWaalsContact C-N 3.31Å; Q604-W606 PolarHBondContact O-N 3.06Å; Q604-E607 PolarHBondContact O-N 3.24Å; Q604-K608 VanDerWaalsContact O-CG 3.25Å; Q604-K608 WeakPolarHBondContact O-CG 3.49Å; Q604-K608 PolarHBondContact O-N 2.91Å
605	E	94.6	Very high	94.9	Very high	13 Å²	13	26.1 Å²	26.1	6%	0.061	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-39.5	173.3	-63.4	-45.3	130.2	0	0	112.2	V271 E601 L602 K608 N609	V271-E605 HydrophobicContact CG1-CB 3.88Å; V271-E605 HydrophobicContact CG1-CG 3.95Å; E601-E605 PolarHBondContact O-N 2.54Å; L602-E605 PolarHBondContact O-N 3.43Å; E605-K608 PolarHBondContact O-N 2.96Å; E605-K608 IonicContact OE1-NZ 3.04Å; E605-K608 PolarHBondContact OE1-NZ 3.5Å; E605-K608 IonicContact OE2-NZ 3.41Å; E605-N609 WeakPolarHBondContact O-CB 3.48Å; E605-N609 PolarHBondContact O-N 3.31Å; E605-N609 VanDerWaalsContact O-N 3.14Å; E605-N609 PolarHBondContact O-ND2 2.9Å
606	W	96.4	Very high	95.1	Very high	5 Å²	5	25.7 Å²	25.7	2%	0.019	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-49.8	173.1	175.6	-112	0	0	0	112.4	L201 F203 L275 L278 L279 Y282 L602 Q604 K608 N609 R610 M613	L201-W606 HydrophobicContact CD1-CZ2 4.35Å; F203-W606 HydrophobicContact CE1-CB 3.81Å; F203-W606 AromaticContact CE1-CG 4Å; F203-W606 HydrophobicContact CE1-CG 4Å; F203-W606 HydrophobicContact CZ-CG 4.45Å; L275-W606 HydrophobicContact CD2-CB 4.23Å; L275-W606 HydrophobicContact CD2-CE3 3.9Å; L278-W606 HydrophobicContact CB-CD2 4.08Å; L278-W606 HydrophobicContact CB-CE3 3.57Å; L278-W606 HydrophobicContact CB-CH2 4.3Å; L278-W606 HydrophobicContact CB-CZ3 3.7Å; L278-W606 HydrophobicContact CD1-CB 4.05Å; L278-W606 HydrophobicContact CD1-CD2 4.27Å; L278-W606 HydrophobicContact CD1-CE3 4.08Å; L278-W606 HydrophobicContact CD1-CG 4.28Å; L278-W606 HydrophobicContact CG-CE3 4.47Å; L279-W606 HydrophobicContact CB-CH2 4.35Å; L279-W606 HydrophobicContact CB-CZ3 4.25Å; L279-W606 HydrophobicContact CD1-CH2 4.34Å; Y282-W606 HydrophobicContact CD1-CH2 4.5Å; Y282-W606 HydrophobicContact CD1-CZ2 4.49Å; Y282-W606 AromaticContact CD2-CZ2 3.88Å; Y282-W606 HydrophobicContact CD2-CZ2 3.88Å; Y282-W606 HydrophobicContact CG-CH2 4.1Å; Y282-W606 AromaticContact CG-CZ2 3.81Å; Y282-W606 HydrophobicContact CG-CZ2 3.81Å; L602-W606 WeakPolarHBondContact O-CB 3.15Å; L602-W606 PolarHBondContact O-N 3.03Å; Q604-W606 VanDerWaalsContact C-N 3.31Å; Q604-W606 PolarHBondContact O-N 3.06Å; W606-K608 VanDerWaalsContact C-N 3.33Å; W606-K608 PolarHBondContact O-N 3.34Å; W606-N609 PolarHBondContact O-N 2.98Å; W606-N609 VanDerWaalsContact O-N 3.15Å; W606-R610 HydrophobicContact CD2-CB 4.32Å; W606-R610 HydrophobicContact CH2-CB 4.39Å; W606-R610 HydrophobicContact CH2-CG 4.02Å; W606-R610 HydrophobicContact CZ2-CB 4.08Å; W606-R610 HydrophobicContact CZ2-CG 3.62Å; W606-R610 WeakPolarHBondContact O-CB 3.49Å; W606-R610 PolarHBondContact O-N 2.88Å; W606-M613 HydrophobicContact CZ3-SD 4.37Å
607	E	94	Very high	95.2	Very high	58 Å²	58	25.4 Å²	25.4	27%	0.271	13%	0.126	S	C	.	.	H	α-helix	trans	-66.5	-34.1	-179.6	-165.8	61.2	-143.1	0	0	112.4	V195 L540 A603 Q604 N609 R610	V195-E607 HydrophobicContact CG1-CB 3.88Å; V195-E607 HydrophobicContact CG1-CG 4.34Å; V195-E607 HydrophobicContact CG2-CB 4.17Å; V195-E607 HydrophobicContact CG2-CG 4.29Å; L540-E607 HydrophobicContact CD1-CG 4.3Å; A603-E607 PolarHBondContact O-N 3.05Å; Q604-E607 PolarHBondContact O-N 3.24Å; E607-N609 VanDerWaalsContact C-N 3.28Å; E607-N609 PolarHBondContact O-N 2.7Å; E607-R610 VanDerWaalsContact CD-NH1 3.33Å; E607-R610 IonicContact OE1-CZ 2.81Å; E607-R610 IonicContact OE1-NH1 3.52Å; E607-R610 PolarHBondContact OE1-NH1 3.5Å; E607-R610 IonicContact OE1-NH2 3.96Å; E607-R610 PolarHBondContact OE1-NH2 2.81Å; E607-R610 IonicContact OE2-CZ 2.8Å; E607-R610 IonicContact OE2-NH1 3.89Å; E607-R610 PolarHBondContact OE2-NH1 2.89Å; E607-R610 IonicContact OE2-NH2 3.47Å
608	K	93.1	Very high	95.3	Very high	38 Å²	38	28 Å²	28	17%	0.165	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-34.9	172.7	-71.8	170.8	-165.7	172.5	0	113.1	H539 L540 Q604 E605 W606	H539-K608 WeakPolarHBondContact CA-O 3.38Å; H539-K608 PolarHBondContact CD2-O 3.39Å; H539-K608 VanDerWaalsContact CD2-O 3.27Å; L540-K608 HydrophobicContact CB-CB 4.48Å; L540-K608 HydrophobicContact CB-CG 4.29Å; L540-K608 HydrophobicContact CD1-CG 4.47Å; L540-K608 PolarHBondContact N-O 3.03Å; Q604-K608 VanDerWaalsContact O-CG 3.25Å; Q604-K608 WeakPolarHBondContact O-CG 3.49Å; Q604-K608 PolarHBondContact O-N 2.91Å; E605-K608 PolarHBondContact O-N 2.96Å; E605-K608 IonicContact OE1-NZ 3.04Å; E605-K608 PolarHBondContact OE1-NZ 3.5Å; E605-K608 IonicContact OE2-NZ 3.41Å; W606-K608 VanDerWaalsContact C-N 3.33Å; W606-K608 PolarHBondContact O-N 3.34Å
609	N	97	Very high	95.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-107.4	-25.1	-167.7	-73.5	-81.4	0	0	0	115.2	L275 Y535 H539 L591 E605 W606 E607 E611 A612 M613	L275-N609 HydrophobicContact CD1-CB 3.72Å; L275-N609 HydrophobicContact CD2-CB 4.26Å; Y535-N609 PolarHBondContact OH-OD1 2.69Å; H539-N609 PolarHBondContact CD2-OD1 2.83Å; H539-N609 PolarHBondContact NE2-ND2 3.38Å; H539-N609 PolarHBondContact NE2-OD1 2.97Å; L591-N609 WeakPolarHBondContact CD2-OD1 3.26Å; E605-N609 WeakPolarHBondContact O-CB 3.48Å; E605-N609 PolarHBondContact O-N 3.31Å; E605-N609 VanDerWaalsContact O-N 3.14Å; E605-N609 PolarHBondContact O-ND2 2.9Å; W606-N609 PolarHBondContact O-N 2.98Å; W606-N609 VanDerWaalsContact O-N 3.15Å; E607-N609 VanDerWaalsContact C-N 3.28Å; E607-N609 PolarHBondContact O-N 2.7Å; N609-E611 PolarHBondContact O-N 3.22Å; N609-A612 WeakPolarHBondContact O-CB 3.38Å; N609-A612 PolarHBondContact O-N 2.76Å; N609-M613 HydrophobicContact CB-SD 4.28Å; N609-M613 WeakPolarHBondContact O-CG 3.17Å; N609-M613 PolarHBondContact O-N 3.01Å
610	R	96.6	Very high	95.7	Very high	41 Å²	41	23.3 Å²	23.3	16%	0.155	12%	0.116	C	C	.	.	H	α-helix	trans	-50.9	-55.5	-173	-178.1	-173	70.2	-118.8	-15.7	112	W606 E607 A612 M613 L614	W606-R610 HydrophobicContact CD2-CB 4.32Å; W606-R610 HydrophobicContact CH2-CB 4.39Å; W606-R610 HydrophobicContact CH2-CG 4.02Å; W606-R610 HydrophobicContact CZ2-CB 4.08Å; W606-R610 HydrophobicContact CZ2-CG 3.62Å; W606-R610 WeakPolarHBondContact O-CB 3.49Å; W606-R610 PolarHBondContact O-N 2.88Å; E607-R610 VanDerWaalsContact CD-NH1 3.33Å; E607-R610 IonicContact OE1-CZ 2.81Å; E607-R610 IonicContact OE1-NH1 3.52Å; E607-R610 PolarHBondContact OE1-NH1 3.5Å; E607-R610 IonicContact OE1-NH2 3.96Å; E607-R610 PolarHBondContact OE1-NH2 2.81Å; E607-R610 IonicContact OE2-CZ 2.8Å; E607-R610 IonicContact OE2-NH1 3.89Å; E607-R610 PolarHBondContact OE2-NH1 2.89Å; E607-R610 IonicContact OE2-NH2 3.47Å; R610-A612 VanDerWaalsContact C-N 3.28Å; R610-A612 PolarHBondContact O-N 2.96Å; R610-M613 PolarHBondContact O-N 2.94Å; R610-L614 HydrophobicContact CG-CD1 4.18Å; R610-L614 WeakPolarHBondContact O-CG 3.34Å; R610-L614 PolarHBondContact O-N 3.07Å
611	E	96.7	Very high	95.9	Very high	64 Å²	64	22.6 Å²	22.6	30%	0.299	11%	0.106	S	C	.	.	H	α-helix	trans	-65.4	-32.3	-177.6	-62.7	-50.2	136.9	0	0	112.7	R293 N609 T615	R293-E611 IonicContact CZ-OE2 2.91Å; R293-E611 IonicContact NH1-OE2 3.97Å; R293-E611 PolarHBondContact NH1-OE2 3.06Å; N609-E611 PolarHBondContact O-N 3.22Å; E611-T615 WeakPolarHBondContact O-CB 3.47Å; E611-T615 PolarHBondContact O-N 2.72Å; E611-T615 PolarHBondContact O-OG1 3.23Å
612	A	97.8	Very high	96.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.4	-43.3	176	0	0	0	0	0	112.2	Y535 T538 H539 N609 R610 T615 F616	Y535-A612 HydrophobicContact CD1-CB 3.92Å; Y535-A612 HydrophobicContact CD2-CB 3.76Å; Y535-A612 WeakPolarHBondContact CD2-O 3.31Å; Y535-A612 HydrophobicContact CE1-CB 3.83Å; Y535-A612 HydrophobicContact CE2-CB 3.68Å; Y535-A612 HydrophobicContact CG-CB 3.89Å; T538-A612 VanDerWaalsContact OG1-CA 3.23Å; T538-A612 WeakPolarHBondContact OG1-CA 2.96Å; T538-A612 WeakPolarHBondContact OG1-CB 3.19Å; H539-A612 HydrophobicContact CB-CB 4.35Å; N609-A612 WeakPolarHBondContact O-CB 3.38Å; N609-A612 PolarHBondContact O-N 2.76Å; R610-A612 VanDerWaalsContact C-N 3.28Å; R610-A612 PolarHBondContact O-N 2.96Å; A612-T615 PolarHBondContact O-N 2.58Å; A612-F616 WeakPolarHBondContact O-CB 3.42Å; A612-F616 PolarHBondContact O-N 3.25Å
613	M	98.5	Very high	96.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.3	-46.3	175	-65.2	172.3	84.6	0	0	111.6	F261 L275 L279 F402 Y535 W606 N609 R610 M617	F261-M613 HydrophobicContact CD2-CE 4.43Å; F261-M613 HydrophobicContact CE2-CB 4.11Å; F261-M613 HydrophobicContact CE2-CE 4.39Å; F261-M613 HydrophobicContact CZ-CB 4.14Å; F261-M613 HydrophobicContact CZ-CG 4.45Å; L275-M613 HydrophobicContact CB-CE 4.06Å; L275-M613 HydrophobicContact CB-SD 4.13Å; L275-M613 HydrophobicContact CD1-SD 4.39Å; L279-M613 HydrophobicContact CB-CE 4.21Å; L279-M613 HydrophobicContact CD2-CE 3.9Å; F402-M613 HydrophobicContact CE2-CE 3.76Å; F402-M613 HydrophobicContact CZ-CE 3.74Å; F402-M613 HydrophobicContact CZ-CG 4.07Å; F402-M613 HydrophobicContact CZ-SD 4.47Å; Y535-M613 HydrophobicContact CE2-CG 4.06Å; W606-M613 HydrophobicContact CZ3-SD 4.37Å; N609-M613 HydrophobicContact CB-SD 4.28Å; N609-M613 WeakPolarHBondContact O-CG 3.17Å; N609-M613 PolarHBondContact O-N 3.01Å; R610-M613 PolarHBondContact O-N 2.94Å; M613-M617 WeakPolarHBondContact O-CG 3.33Å; M613-M617 PolarHBondContact O-N 2.94Å; M613-M617 VanDerWaalsContact O-N 3.14Å
614	L	98.3	Very high	96.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-64	-46.7	177.4	-62.7	178.5	0	0	0	111.7	L279 Y282 L283 L297 R610 F616 M617 E618	L279-L614 HydrophobicContact CD1-CD2 4.15Å; Y282-L614 HydrophobicContact CD1-CD2 4.44Å; Y282-L614 HydrophobicContact CE1-CD1 3.82Å; Y282-L614 HydrophobicContact CE1-CD2 3.95Å; Y282-L614 HydrophobicContact CE1-CG 4.44Å; L283-L614 HydrophobicContact CD2-CD2 4.36Å; L297-L614 HydrophobicContact CD1-CD2 3.84Å; R610-L614 HydrophobicContact CG-CD1 4.18Å; R610-L614 WeakPolarHBondContact O-CG 3.34Å; R610-L614 PolarHBondContact O-N 3.07Å; L614-F616 VanDerWaalsContact C-N 3.3Å; L614-F616 PolarHBondContact O-N 3.33Å; L614-M617 HydrophobicContact CD2-CE 3.68Å; L614-M617 PolarHBondContact O-N 2.88Å; L614-E618 WeakPolarHBondContact O-CG 3.47Å; L614-E618 PolarHBondContact O-N 2.92Å
615	T	97.5	Very high	96.5	Very high	28 Å²	28	24.6 Å²	24.6	17%	0.172	11%	0.109	C	C	.	.	H	α-helix	trans	-68	-30.6	-178.2	-53.5	0	0	0	0	112.6	R293 T538 E611 A612 E618 Q619	R293-T615 PolarHBondContact NH2-OG1 2.85Å; R293-T615 VanDerWaalsContact NH2-OG1 3.1Å; T538-T615 HydrophobicContact CG2-CG2 4.12Å; E611-T615 WeakPolarHBondContact O-CB 3.47Å; E611-T615 PolarHBondContact O-N 2.72Å; E611-T615 PolarHBondContact O-OG1 3.23Å; A612-T615 PolarHBondContact O-N 2.58Å; T615-E618 PolarHBondContact O-N 2.93Å; T615-Q619 WeakPolarHBondContact O-CG 3.27Å; T615-Q619 PolarHBondContact O-NE2 3.16Å
616	F	98.3	Very high	96.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-71.7	-41.3	174.8	-176.2	-100.1	0	0	0	112.5	F259 F261 L398 G399 A400 L531 Y535 L587 A612 L614 E618 Q619	F259-F616 AromaticContact CE2-CD1 3.86Å; F259-F616 HydrophobicContact CE2-CD1 3.86Å; F259-F616 AromaticContact CE2-CE1 3.77Å; F259-F616 HydrophobicContact CE2-CE1 3.77Å; F259-F616 AromaticContact CZ-CD1 3.83Å; F259-F616 HydrophobicContact CZ-CD1 3.83Å; F259-F616 AromaticContact CZ-CE1 3.93Å; F259-F616 HydrophobicContact CZ-CE1 3.93Å; F261-F616 AromaticContact CE1-CD1 3.65Å; F261-F616 HydrophobicContact CE1-CD1 3.65Å; F261-F616 HydrophobicContact CE1-CE1 4.08Å; F261-F616 AromaticContact CZ-CD1 3.84Å; F261-F616 HydrophobicContact CZ-CD1 3.84Å; L398-F616 HydrophobicContact CD1-CE1 4.43Å; L398-F616 HydrophobicContact CD1-CE2 4.35Å; L398-F616 HydrophobicContact CD1-CZ 3.79Å; L398-F616 HydrophobicContact CD2-CE1 4.2Å; L398-F616 HydrophobicContact CD2-CE2 4.48Å; L398-F616 HydrophobicContact CD2-CZ 4.13Å; L398-F616 HydrophobicContact CG-CE1 4.06Å; L398-F616 HydrophobicContact CG-CZ 3.93Å; G399-F616 WeakPolarHBondContact O-CZ 3.04Å; A400-F616 HydrophobicContact CB-CE1 3.76Å; A400-F616 HydrophobicContact CB-CZ 4.09Å; L531-F616 HydrophobicContact CB-CE2 4.25Å; Y535-F616 HydrophobicContact CD2-CB 3.87Å; Y535-F616 HydrophobicContact CD2-CG 4.26Å; L587-F616 HydrophobicContact CD1-CE2 3.57Å; L587-F616 HydrophobicContact CD1-CZ 4.01Å; L587-F616 HydrophobicContact CG-CE2 4.34Å; L587-F616 HydrophobicContact CG-CZ 4.33Å; A612-F616 WeakPolarHBondContact O-CB 3.42Å; A612-F616 PolarHBondContact O-N 3.25Å; L614-F616 VanDerWaalsContact C-N 3.3Å; L614-F616 PolarHBondContact O-N 3.33Å; F616-E618 VanDerWaalsContact C-N 3.26Å; F616-E618 PolarHBondContact O-N 3.18Å; F616-Q619 WeakPolarHBondContact O-CB 3.1Å; F616-Q619 PolarHBondContact O-N 3.11Å
617	M	98.1	Very high	96.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.2	-41.2	171.3	-73.3	-172.3	-67.5	0	0	111.5	F259 F261 L279 L297 I301 I303 M613 L614 Q619 V620	F259-M617 HydrophobicContact CD1-CG 3.95Å; F259-M617 HydrophobicContact CD1-SD 4.32Å; F259-M617 HydrophobicContact CD2-CG 4.49Å; F259-M617 HydrophobicContact CE1-CG 3.52Å; F259-M617 HydrophobicContact CE1-SD 4.1Å; F259-M617 HydrophobicContact CE2-CG 4.09Å; F259-M617 HydrophobicContact CG-CG 4.44Å; F259-M617 HydrophobicContact CZ-CG 3.61Å; F261-M617 HydrophobicContact CD2-SD 4.41Å; F261-M617 HydrophobicContact CE2-CE 4.39Å; F261-M617 HydrophobicContact CE2-CG 3.69Å; F261-M617 HydrophobicContact CE2-SD 3.9Å; F261-M617 HydrophobicContact CZ-CG 4.1Å; L279-M617 HydrophobicContact CD1-CE 4.19Å; L279-M617 HydrophobicContact CD2-CE 4.14Å; L279-M617 HydrophobicContact CD2-SD 4.41Å; L297-M617 HydrophobicContact CD1-CE 4.28Å; L297-M617 HydrophobicContact CD2-CB 4.04Å; I301-M617 HydrophobicContact CD1-CB 4.32Å; I303-M617 HydrophobicContact CD1-SD 3.97Å; I303-M617 HydrophobicContact CG1-SD 4.4Å; I303-M617 HydrophobicContact CG2-SD 3.98Å; M613-M617 WeakPolarHBondContact O-CG 3.33Å; M613-M617 PolarHBondContact O-N 2.94Å; M613-M617 VanDerWaalsContact O-N 3.14Å; L614-M617 HydrophobicContact CD2-CE 3.68Å; L614-M617 PolarHBondContact O-N 2.88Å; M617-Q619 PolarHBondContact O-N 3.2Å; M617-Q619 VanDerWaalsContact O-N 3.12Å; M617-V620 VanDerWaalsContact O-CG1 3.25Å; M617-V620 WeakPolarHBondContact O-CG1 3.4Å; M617-V620 PolarHBondContact O-N 3.46Å; M617-V620 VanDerWaalsContact O-N 3.1Å
618	E	96.9	Very high	96.8	Very high	59 Å²	59	23.1 Å²	23.1	28%	0.276	11%	0.105	S	C	.	.	H	α-helix	trans	-60	-22.5	176.7	-67	170.3	154	0	0	113.3	R293 L297 L614 T615 F616 V620 H621	R293-E618 IonicContact CZ-OE1 2.78Å; R293-E618 IonicContact CZ-OE2 3.15Å; R293-E618 IonicContact NE-OE1 3.64Å; R293-E618 PolarHBondContact NE-OE1 3.43Å; R293-E618 IonicContact NE-OE2 3.21Å; R293-E618 IonicContact NH2-OE1 3.57Å; R293-E618 PolarHBondContact NH2-OE1 3.48Å; R293-E618 IonicContact NH2-OE2 2.62Å; R293-E618 PolarHBondContact NH2-OE2 3.13Å; L297-E618 HydrophobicContact CD2-CG 3.84Å; L614-E618 WeakPolarHBondContact O-CG 3.47Å; L614-E618 PolarHBondContact O-N 2.92Å; T615-E618 PolarHBondContact O-N 2.93Å; F616-E618 VanDerWaalsContact C-N 3.26Å; F616-E618 PolarHBondContact O-N 3.18Å; E618-V620 VanDerWaalsContact C-N 3.27Å; E618-V620 PolarHBondContact O-N 3.29Å; E618-H621 PolarHBondContact O-N 2.99Å
619	Q	96.8	Very high	97	Very high	26 Å²	26	24.6 Å²	24.6	12%	0.121	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-70.5	-17.7	177	-54.1	-50.5	-66.4	0	0	113.8	L398 L531 S534 T615 F616 M617 H621 R622	L398-Q619 HydrophobicContact CD2-CB 3.94Å; L531-Q619 HydrophobicContact CD2-CB 3.63Å; L531-Q619 HydrophobicContact CD2-CG 4.09Å; S534-Q619 WeakPolarHBondContact OG-CG 3.46Å; T615-Q619 WeakPolarHBondContact O-CG 3.27Å; T615-Q619 PolarHBondContact O-NE2 3.16Å; F616-Q619 WeakPolarHBondContact O-CB 3.1Å; F616-Q619 PolarHBondContact O-N 3.11Å; M617-Q619 PolarHBondContact O-N 3.2Å; M617-Q619 VanDerWaalsContact O-N 3.12Å; Q619-H621 PolarHBondContact O-N 3.04Å; Q619-H621 VanDerWaalsContact O-N 3.15Å; Q619-R622 VanDerWaalsContact O-CB 3.26Å; Q619-R622 WeakPolarHBondContact O-CB 3.32Å; Q619-R622 PolarHBondContact O-N 3.2Å
620	V	97.2	Very high	96.9	Very high	1 Å²	1	25 Å²	25	1%	0.006	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-62.9	-21.7	176.7	81.5	0	0	0	0	112	P257 F259 I301 V397 L398 M617 E618 R622	P257-V620 HydrophobicContact CB-CG1 4.32Å; P257-V620 HydrophobicContact CB-CG2 3.7Å; P257-V620 HydrophobicContact CG-CG1 3.76Å; P257-V620 HydrophobicContact CG-CG2 4.08Å; F259-V620 HydrophobicContact CD2-CB 4.3Å; F259-V620 HydrophobicContact CD2-CG2 4.5Å; I301-V620 HydrophobicContact CD1-CG1 3.64Å; I301-V620 HydrophobicContact CG1-CG1 3.78Å; I301-V620 HydrophobicContact CG2-CG1 4.1Å; V397-V620 HydrophobicContact CB-CG2 3.84Å; V397-V620 HydrophobicContact CG1-CG2 3.87Å; L398-V620 HydrophobicContact CB-CB 4.15Å; L398-V620 HydrophobicContact CB-CG2 3.77Å; L398-V620 HydrophobicContact CD2-CB 4.08Å; M617-V620 VanDerWaalsContact O-CG1 3.25Å; M617-V620 WeakPolarHBondContact O-CG1 3.4Å; M617-V620 PolarHBondContact O-N 3.46Å; M617-V620 VanDerWaalsContact O-N 3.1Å; E618-V620 VanDerWaalsContact C-N 3.27Å; E618-V620 PolarHBondContact O-N 3.29Å; V620-R622 VanDerWaalsContact C-N 3.28Å; V620-R622 PolarHBondContact O-N 3.26Å
621	H	95.6	Very high	96.6	Very high	44 Å²	44	29.6 Å²	29.6	20%	0.204	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-87.4	23	174.5	-65	-36.1	0	0	0	113.8	G300 I301 E618 Q619 G690 A691	G300-H621 PolarHBondContact O-CE1 3.27Å; I301-H621 VanDerWaalsContact CG1-NE2 3.35Å; I301-H621 WeakPolarHBondContact CG1-NE2 3.42Å; E618-H621 PolarHBondContact O-N 2.99Å; Q619-H621 PolarHBondContact O-N 3.04Å; Q619-H621 VanDerWaalsContact O-N 3.15Å; H621-G690 CarbonylContact O-C 3.13Å; H621-G690 VanDerWaalsContact O-CA 3.29Å; H621-G690 WeakPolarHBondContact O-CA 3.49Å; H621-A691 WeakPolarHBondContact O-CA 3.28Å; H621-A691 PolarHBondContact O-N 3.26Å
622	R	94.4	Very high	96.3	Very high	40 Å²	40	32.1 Å²	32.1	15%	0.151	15%	0.149	C	C	.	.			trans	-98.5	162.3	178.8	-151.4	168.2	-171.4	-126.7	12	112.8	W530 Q619 V620 L661 N663	W530-R622 VanDerWaalsContact NE1-CZ 3.34Å; Q619-R622 VanDerWaalsContact O-CB 3.26Å; Q619-R622 WeakPolarHBondContact O-CB 3.32Å; Q619-R622 PolarHBondContact O-N 3.2Å; V620-R622 VanDerWaalsContact C-N 3.28Å; V620-R622 PolarHBondContact O-N 3.26Å; R622-L661 HydrophobicContact CB-CD2 4.49Å; R622-L661 WeakPolarHBondContact O-CD2 3.21Å; R622-N663 PolarHBondContact NH1-OD1 3.44Å
623	G	96.1	Very high	96.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	17%	0.17	C	C	.	.	S	Bend	trans	77.8	-132.3	177.9	0	0	0	0	0	113.1	T692	G623-T692 PolarHBondContact O-N 2.73Å
624	I	97.1	Very high	95.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	149.3	-179.4	64.5	-179.9	0	0	0	111.6	Y658 R660 L662 V669 C683 V685 T692	I624-Y658 HydrophobicContact CD1-CE2 4.17Å; I624-Y658 HydrophobicContact CG1-CE2 4.08Å; I624-R660 HydrophobicContact CD1-CB 4.29Å; I624-R660 HydrophobicContact CG1-CB 3.81Å; I624-R660 PolarHBondContact N-O 3.11Å; I624-R660 PolarHBondContact O-N 3.07Å; I624-L662 HydrophobicContact CD1-CD1 4.23Å; I624-L662 HydrophobicContact CG1-CD1 4.26Å; I624-L662 HydrophobicContact CG2-CD1 4.49Å; I624-V669 HydrophobicContact CD1-CG1 4.13Å; I624-V669 HydrophobicContact CD1-CG2 3.83Å; I624-C683 HydrophobicContact CD1-CB 4.28Å; I624-C683 HydrophobicContact CG2-CB 3.99Å; I624-V685 HydrophobicContact CG2-CG2 3.62Å; I624-T692 VanDerWaalsContact CA-O 3.25Å; I624-T692 WeakPolarHBondContact CA-O 3.4Å
625	R	96.8	Very high	95.8	Very high	98 Å²	98	41.6 Å²	41.6	37%	0.37	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	160.9	166.3	67	175.3	171.6	162.9	-2.5	110.3	G255 Y658 W659 A691 T692 S693 C694	G255-R625 PolarHBondContact O-NH1 3.21Å; R625-Y658 VanDerWaalsContact CA-O 3.25Å; R625-Y658 WeakPolarHBondContact CA-O 3.22Å; R625-Y658 WeakPolarHBondContact CB-O 3.46Å; R625-W659 HydrophobicContact CB-CG 4.24Å; R625-A691 HydrophobicContact CB-CB 4.03Å; R625-A691 HydrophobicContact CG-CB 3.71Å; R625-T692 PolarHBondContact N-O 2.84Å; R625-S693 CarbonylContact O-C 3.48Å; R625-S693 VanDerWaalsContact O-CA 3.3Å; R625-S693 WeakPolarHBondContact O-CA 3.15Å; R625-C694 PolarHBondContact O-N 3.38Å
626	G	96.3	Very high	95.7	Very high	9 Å²	9	41 Å²	41	9%	0.093	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.9	-174.8	175.5	0	0	0	0	0	112.8	D657 Y658	G626-D657 CarbonylContact O-C 3.58Å; G626-D657 VanDerWaalsContact O-CA 3.23Å; G626-D657 WeakPolarHBondContact O-CA 3.44Å; G626-Y658 PolarHBondContact N-O 2.73Å; G626-Y658 VanDerWaalsContact O-CD1 3.27Å; G626-Y658 WeakPolarHBondContact O-CD1 3.46Å; G626-Y658 PolarHBondContact O-N 2.98Å
627	I	97.2	Very high	95.6	Very high	36 Å²	36	43.2 Å²	43.2	19%	0.185	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.1	178.4	-39.7	175.1	0	0	0	109.2	I254 K629 G656 D657 S695 F696	I254-I627 HydrophobicContact CG2-CD1 3.64Å; I254-I627 HydrophobicContact CG2-CG1 4.34Å; I627-K629 HydrophobicContact CB-CG 4.44Å; I627-K629 HydrophobicContact CG2-CD 4.29Å; I627-K629 HydrophobicContact CG2-CG 3.89Å; I627-G656 CarbonylContact C-O 3.56Å; I627-G656 WeakPolarHBondContact CA-O 3.47Å; I627-G656 WeakPolarHBondContact CG2-O 3.47Å; I627-D657 HydrophobicContact CG1-CB 4.2Å; I627-S695 PolarHBondContact N-OG 3.29Å; I627-S695 VanDerWaalsContact N-OG 3.09Å; I627-S695 WeakPolarHBondContact O-CA 3.05Å; I627-S695 WeakPolarHBondContact O-CB 3.38Å; I627-F696 PolarHBondContact O-N 3.41Å
628	V	97.8	Very high	95.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.4	170.2	-171.8	0	0	0	0	108.6	I636 A639 I641 T652 G656 Y658 A671 F696 L698	V628-I636 HydrophobicContact CG1-CB 4.22Å; V628-I636 HydrophobicContact CG1-CD1 4.26Å; V628-I636 PolarHBondContact O-N 2.86Å; V628-A639 HydrophobicContact CB-CB 4.17Å; V628-A639 HydrophobicContact CG1-CB 3.91Å; V628-A639 HydrophobicContact CG2-CB 4.21Å; V628-I641 HydrophobicContact CG2-CD1 3.67Å; V628-T652 HydrophobicContact CB-CG2 3.92Å; V628-T652 HydrophobicContact CG2-CG2 3.44Å; V628-T652 VanDerWaalsContact CG2-CG2 3.44Å; V628-G656 PolarHBondContact N-O 2.79Å; V628-Y658 HydrophobicContact CG2-CD1 4.36Å; V628-A671 HydrophobicContact CG2-CB 4.34Å; V628-F696 WeakPolarHBondContact CA-O 3.2Å; V628-F696 HydrophobicContact CG1-CB 4.35Å; V628-F696 HydrophobicContact CG2-CB 4.33Å; V628-L698 HydrophobicContact CG1-CD1 3.62Å; V628-L698 HydrophobicContact CG1-CG 3.79Å
629	K	96.4	Very high	95.5	Very high	69 Å²	69	46.3 Å²	46.3	30%	0.3	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	160.3	-178.2	-59.1	-173.1	178.1	-171.3	0	111.1	I627 N634 F696 N697 L698	I627-K629 HydrophobicContact CB-CG 4.44Å; I627-K629 HydrophobicContact CG2-CD 4.29Å; I627-K629 HydrophobicContact CG2-CG 3.89Å; K629-N634 CarbonylContact C-O 3.59Å; K629-N634 WeakPolarHBondContact CA-O 3.3Å; K629-N634 WeakPolarHBondContact CB-O 3.4Å; K629-F696 PolarHBondContact N-O 2.93Å; K629-N697 CarbonylContact O-C 3.56Å; K629-N697 WeakPolarHBondContact O-CA 3.16Å; K629-L698 PolarHBondContact O-N 2.95Å
630	D	94.2	Very high	95.5	Very high	9 Å²	9	46.3 Å²	46.3	5%	0.048	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	172	166.6	76.9	3.2	0	0	0	111.6	Q632 G633 N634 I636 F676 K700	D630-Q632 PolarHBondContact O-N 2.86Å; D630-Q632 VanDerWaalsContact O-N 3.07Å; D630-Q632 VanDerWaalsContact OD1-C 3.29Å; D630-Q632 VanDerWaalsContact OD1-CA 3.24Å; D630-Q632 WeakPolarHBondContact OD1-CA 3.31Å; D630-Q632 VanDerWaalsContact OD1-CB 3.27Å; D630-Q632 WeakPolarHBondContact OD1-CB 3.17Å; D630-Q632 PolarHBondContact OD1-N 2.91Å; D630-Q632 PolarHBondContact OD2-OE1 3.41Å; D630-G633 PolarHBondContact O-N 2.83Å; D630-G633 PolarHBondContact OD1-N 3.29Å; D630-N634 PolarHBondContact N-O 3.17Å; D630-N634 PolarHBondContact OD1-N 3.3Å; D630-N634 PolarHBondContact OD1-ND2 2.75Å; D630-N634 PolarHBondContact OD2-ND2 3.05Å; D630-I636 HydrophobicContact CB-CD1 4.12Å; D630-I636 HydrophobicContact CB-CG1 4.42Å; D630-F676 HydrophobicContact CB-CE1 3.66Å; D630-F676 HydrophobicContact CB-CZ 4.02Å; D630-K700 IonicContact OD2-NZ 3.58Å
631	Q	90.6	Very high	95.6	Very high	137 Å²	137	46.3 Å²	46.3	64%	0.64	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-7.3	174.5	-72.5	-176.1	-19	0	0	114.8	L698	Q631-L698 PolarHBondContact N-O 3.22Å
632	Q	90.9	Very high	95.7	Very high	116 Å²	116	45.8 Å²	45.8	54%	0.542	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-5.5	174.6	-69	71.6	88.3	0	0	111.4	D630 N634	D630-Q632 PolarHBondContact O-N 2.86Å; D630-Q632 VanDerWaalsContact O-N 3.07Å; D630-Q632 VanDerWaalsContact OD1-C 3.29Å; D630-Q632 VanDerWaalsContact OD1-CA 3.24Å; D630-Q632 WeakPolarHBondContact OD1-CA 3.31Å; D630-Q632 VanDerWaalsContact OD1-CB 3.27Å; D630-Q632 WeakPolarHBondContact OD1-CB 3.17Å; D630-Q632 PolarHBondContact OD1-N 2.91Å; D630-Q632 PolarHBondContact OD2-OE1 3.41Å; Q632-N634 WeakPolarHBondContact CB-ND2 3.42Å
633	G	92.4	Very high	95.8	Very high	43 Å²	43	44.1 Å²	44.1	44%	0.443	24%	0.243	S	C	.	.	S	Bend	trans	89.5	3.5	-178.7	0	0	0	0	0	114.6	D630	D630-G633 PolarHBondContact O-N 2.83Å; D630-G633 PolarHBondContact OD1-N 3.29Å
634	N	94.7	Very high	95.9	Very high	87 Å²	87	50.1 Å²	50.1	47%	0.465	27%	0.271	S	S	.	.			trans	-73.7	139.2	176.3	-52.5	-63.1	0	0	0	109.9	K629 D630 Q632	K629-N634 CarbonylContact C-O 3.59Å; K629-N634 WeakPolarHBondContact CA-O 3.3Å; K629-N634 WeakPolarHBondContact CB-O 3.4Å; D630-N634 PolarHBondContact N-O 3.17Å; D630-N634 PolarHBondContact OD1-N 3.3Å; D630-N634 PolarHBondContact OD1-ND2 2.75Å; D630-N634 PolarHBondContact OD2-ND2 3.05Å; Q632-N634 WeakPolarHBondContact CB-ND2 3.42Å
635	P	95.7	Very high	95.7	Very high	71 Å²	71	54.1 Å²	54.1	46%	0.461	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-65.6	149.2	173.2	29.6	-35.1	0	0	0	111.9	T655	P635-T655 VanDerWaalsContact CB-C 3.49Å; P635-T655 WeakPolarHBondContact CB-O 3.27Å
636	I	96.3	Very high	95.7	Very high	16 Å²	16	50.8 Å²	50.8	8%	0.082	30%	0.301	C	S	.	.			trans	-116	104.1	176.2	-56.9	174.7	0	0	0	108.1	V628 D630 A639 T652 G656 A673 F676 L698	V628-I636 HydrophobicContact CG1-CB 4.22Å; V628-I636 HydrophobicContact CG1-CD1 4.26Å; V628-I636 PolarHBondContact O-N 2.86Å; D630-I636 HydrophobicContact CB-CD1 4.12Å; D630-I636 HydrophobicContact CB-CG1 4.42Å; I636-A639 HydrophobicContact CG2-CB 4.19Å; I636-T652 PolarHBondContact O-OG1 2.97Å; I636-G656 WeakPolarHBondContact O-CA 3.23Å; I636-A673 HydrophobicContact CG2-CB 3.61Å; I636-F676 HydrophobicContact CD1-CD1 3.9Å; I636-F676 HydrophobicContact CD1-CD2 4.01Å; I636-F676 HydrophobicContact CD1-CE1 3.63Å; I636-F676 HydrophobicContact CD1-CE2 3.76Å; I636-F676 HydrophobicContact CD1-CG 4.09Å; I636-F676 HydrophobicContact CD1-CZ 3.56Å; I636-F676 HydrophobicContact CG1-CE2 4.22Å; I636-F676 HydrophobicContact CG1-CZ 4.08Å; I636-F676 HydrophobicContact CG2-CD2 4.48Å; I636-F676 HydrophobicContact CG2-CE2 4.25Å; I636-L698 HydrophobicContact CD1-CB 3.99Å; I636-L698 HydrophobicContact CD1-CD1 4.13Å; I636-L698 HydrophobicContact CD1-CG 4.3Å
637	A	95.5	Very high	95.6	Very high	45 Å²	45	53.8 Å²	53.8	37%	0.372	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	157	172.8	0	0	0	0	0	112	A639	A637-A639 PolarHBondContact O-N 3.18Å; A637-A639 VanDerWaalsContact O-N 3.12Å
638	N	95.8	Very high	95.6	Very high	125 Å²	125	52.1 Å²	52.1	67%	0.668	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	26.5	179.5	-56.1	-23.8	0	0	0	115	T652	N638-T652 PolarHBondContact N-O 3.07Å; N638-T652 VanDerWaalsContact N-O 3.08Å; N638-T652 PolarHBondContact N-OG1 3.22Å
639	A	97.1	Very high	95.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.312	C	S	.	.			trans	-73.9	132.2	168.4	0	0	0	0	0	109.9	V628 I636 A637 T651 T652 K672 A673	V628-A639 HydrophobicContact CB-CB 4.17Å; V628-A639 HydrophobicContact CG1-CB 3.91Å; V628-A639 HydrophobicContact CG2-CB 4.21Å; I636-A639 HydrophobicContact CG2-CB 4.19Å; A637-A639 PolarHBondContact O-N 3.18Å; A637-A639 VanDerWaalsContact O-N 3.12Å; A639-T651 CarbonylContact O-C 3.51Å; A639-T651 WeakPolarHBondContact O-CA 3.35Å; A639-T652 HydrophobicContact CB-CG2 3.91Å; A639-T652 PolarHBondContact N-OG1 3.06Å; A639-T652 PolarHBondContact O-N 2.68Å; A639-K672 CarbonylContact C-O 3.58Å; A639-K672 WeakPolarHBondContact CA-O 3.27Å; A639-A673 HydrophobicContact CB-CB 3.94Å
640	T	97.8	Very high	95.7	Very high	26 Å²	26	49.9 Å²	49.9	16%	0.16	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	130.3	175.3	-49.1	0	0	0	0	110.4	D649 V650 A671 K672	T640-D649 HydrophobicContact CG2-CB 3.48Å; T640-D649 VanDerWaalsContact CG2-CB 3.48Å; T640-D649 WeakPolarHBondContact CG2-OD2 3.39Å; T640-V650 CarbonylContact C-O 3.6Å; T640-V650 WeakPolarHBondContact CA-O 3.34Å; T640-A671 CarbonylContact O-C 3.49Å; T640-A671 WeakPolarHBondContact O-CA 3.37Å; T640-K672 PolarHBondContact N-O 3.21Å; T640-K672 PolarHBondContact O-N 3.35Å
641	I	98.3	Very high	95.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	110.7	170.5	-54.5	-59.5	0	0	0	108.4	V628 D649 V650 Y658 V669 T670 A671 F696	V628-I641 HydrophobicContact CG2-CD1 3.67Å; I641-D649 WeakPolarHBondContact O-CA 3.28Å; I641-D649 WeakPolarHBondContact O-CB 3.09Å; I641-V650 HydrophobicContact CB-CG2 3.94Å; I641-V650 HydrophobicContact CG2-CG2 4.45Å; I641-V650 PolarHBondContact N-O 2.61Å; I641-V650 PolarHBondContact O-N 3.18Å; I641-Y658 HydrophobicContact CB-CD2 4.31Å; I641-Y658 HydrophobicContact CB-CE2 4.35Å; I641-Y658 HydrophobicContact CD1-CD1 4.1Å; I641-Y658 HydrophobicContact CD1-CE1 4.03Å; I641-Y658 HydrophobicContact CD1-CG 4.42Å; I641-Y658 HydrophobicContact CG1-CD1 3.93Å; I641-Y658 HydrophobicContact CG1-CD2 3.79Å; I641-Y658 HydrophobicContact CG1-CE1 4.15Å; I641-Y658 HydrophobicContact CG1-CE2 4.03Å; I641-Y658 HydrophobicContact CG1-CG 3.75Å; I641-Y658 HydrophobicContact CG2-CD2 4.2Å; I641-Y658 HydrophobicContact CG2-CE2 3.76Å; I641-V669 HydrophobicContact CG2-CG1 3.46Å; I641-V669 VanDerWaalsContact CG2-CG1 3.46Å; I641-T670 WeakPolarHBondContact CA-O 3.33Å; I641-A671 HydrophobicContact CD1-CB 3.61Å; I641-F696 HydrophobicContact CD1-CD2 4.39Å; I641-F696 HydrophobicContact CD1-CE2 4.49Å
642	S	97.9	Very high	96.2	Very high	33 Å²	33	43.7 Å²	43.7	23%	0.231	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	144.9	177.5	63.5	0	0	0	0	112.1	D649 V669 T670	S642-D649 VanDerWaalsContact CB-CG 3.43Å; S642-D649 WeakPolarHBondContact CB-OD1 3.36Å; S642-V669 CarbonylContact O-C 3.57Å; S642-V669 WeakPolarHBondContact O-CA 3.27Å; S642-T670 PolarHBondContact N-O 3.45Å; S642-T670 PolarHBondContact O-N 2.88Å
643	V	98	Very high	96.4	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.03	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.1	-178.5	-177.5	0	0	0	0	109.2	G645 I646 R660 Y667 V669	V643-G645 PolarHBondContact O-N 3.38Å; V643-G645 VanDerWaalsContact O-N 3.13Å; V643-I646 HydrophobicContact CB-CB 4.39Å; V643-I646 HydrophobicContact CB-CD1 4.26Å; V643-I646 HydrophobicContact CB-CG1 4.45Å; V643-I646 HydrophobicContact CG1-CD1 3.91Å; V643-I646 HydrophobicContact CG1-CG1 4.23Å; V643-I646 PolarHBondContact O-N 2.98Å; V643-I646 VanDerWaalsContact O-N 3.12Å; V643-R660 HydrophobicContact CG2-CG 4.13Å; V643-Y667 HydrophobicContact CG1-CD1 3.56Å; V643-Y667 HydrophobicContact CG1-CE1 4.41Å; V643-Y667 HydrophobicContact CG1-CG 4.17Å; V643-V669 HydrophobicContact CG2-CG2 4.34Å
644	E	96.4	Very high	96.4	Very high	128 Å²	128	41.5 Å²	41.5	60%	0.598	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	119	178.8	-174	173.7	-153.9	0	0	110.5	R668	E644-R668 HydrophobicContact CB-CB 3.94Å; E644-R668 PolarHBondContact N-O 2.86Å; E644-R668 WeakPolarHBondContact OE2-CB 3.46Å; E644-R668 VanDerWaalsContact OE2-CD 3.23Å; E644-R668 WeakPolarHBondContact OE2-CD 3.4Å; E644-R668 IonicContact OE2-CZ 3.03Å; E644-R668 IonicContact OE2-NE 2.67Å; E644-R668 PolarHBondContact OE2-NE 3.06Å; E644-R668 IonicContact OE2-NH2 3.86Å
645	G	93.9	Very high	96.4	Very high	83 Å²	83	39.1 Å²	39.1	86%	0.856	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	102.9	-14.8	-179.4	0	0	0	0	0	115.2	V643	V643-G645 PolarHBondContact O-N 3.38Å; V643-G645 VanDerWaalsContact O-N 3.13Å
646	I	96.4	Very high	96.4	Very high	29 Å²	29	35.7 Å²	35.7	15%	0.149	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.9	179.6	-49.9	177.4	0	0	0	109.5	P523 D524 V643 H648 L662 Y667	P523-I646 HydrophobicContact CB-CG2 3.83Å; D524-I646 WeakPolarHBondContact OD2-CG2 3.32Å; V643-I646 HydrophobicContact CB-CB 4.39Å; V643-I646 HydrophobicContact CB-CD1 4.26Å; V643-I646 HydrophobicContact CB-CG1 4.45Å; V643-I646 HydrophobicContact CG1-CD1 3.91Å; V643-I646 HydrophobicContact CG1-CG1 4.23Å; V643-I646 PolarHBondContact O-N 2.98Å; V643-I646 VanDerWaalsContact O-N 3.12Å; I646-H648 PolarHBondContact O-N 3.38Å; I646-L662 HydrophobicContact CD1-CD2 3.58Å; I646-Y667 HydrophobicContact CD1-CE1 4.45Å
647	N	94.9	Very high	96.4	Very high	71 Å²	71	35 Å²	35	38%	0.38	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	50.4	-178.1	-172.4	38.3	0	0	0	113.1	N365 P523	N365-N647 PolarHBondContact ND2-OD1 3.08Å; P523-N647 HydrophobicContact CG-CB 4.39Å; P523-N647 WeakPolarHBondContact CG-O 3.42Å
648	H	97	Very high	96.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	117.2	172.6	175.5	65.6	0	0	0	106.8	N365 P523 D524 Y579 Y585 I646 R660	N365-H648 PolarHBondContact O-ND1 2.87Å; P523-H648 HydrophobicContact CB-CB 3.96Å; P523-H648 HydrophobicContact CG-CB 4.09Å; D524-H648 IonicContact OD2-CD2 3.35Å; Y579-H648 AromaticContact CD2-NE2 3.78Å; Y579-H648 AromaticContact CE2-CD2 3.36Å; Y579-H648 WeakPolarHBondContact CE2-CD2 3.47Å; Y579-H648 AromaticContact CE2-CE1 3.95Å; Y579-H648 AromaticContact CE2-NE2 3.37Å; Y579-H648 WeakPolarHBondContact CE2-NE2 3.12Å; Y579-H648 AromaticContact CZ-CD2 3.52Å; Y579-H648 AromaticContact CZ-CG 3.68Å; Y579-H648 AromaticContact CZ-NE2 3.83Å; Y579-H648 PolarHBondContact O-CE1 3.21Å; Y579-H648 WeakPolarHBondContact OH-CB 3.27Å; Y579-H648 PolarHBondContact OH-CD2 3.16Å; Y585-H648 PolarHBondContact OH-CD2 2.98Å; I646-H648 PolarHBondContact O-N 3.38Å; H648-R660 PolarHBondContact O-NH1 2.94Å; H648-R660 PolarHBondContact O-NH2 3.26Å
649	D	97.4	Very high	96.7	Very high	22 Å²	22	27.8 Å²	27.8	12%	0.118	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	165.1	-178.9	-50.6	-22.1	0	0	0	110.2	N365 H366 T640 I641 S642	N365-D649 PolarHBondContact ND2-OD1 2.93Å; N365-D649 PolarHBondContact OD1-OD2 3.17Å; H366-D649 WeakPolarHBondContact CB-O 3.12Å; H366-D649 IonicContact CE1-OD2 2.76Å; H366-D649 IonicContact ND1-OD2 3.75Å; T640-D649 HydrophobicContact CG2-CB 3.48Å; T640-D649 VanDerWaalsContact CG2-CB 3.48Å; T640-D649 WeakPolarHBondContact CG2-OD2 3.39Å; I641-D649 WeakPolarHBondContact O-CA 3.28Å; I641-D649 WeakPolarHBondContact O-CB 3.09Å; S642-D649 VanDerWaalsContact CB-CG 3.43Å; S642-D649 WeakPolarHBondContact CB-OD1 3.36Å
650	V	97.9	Very high	96.7	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	162	170	-70.6	0	0	0	0	111.4	N583 T640 I641 Y658 R660	N583-V650 HydrophobicContact CB-CG1 4.36Å; N583-V650 VanDerWaalsContact OD1-CA 3.28Å; N583-V650 WeakPolarHBondContact OD1-CA 3.44Å; N583-V650 WeakPolarHBondContact OD1-CB 3.15Å; T640-V650 CarbonylContact C-O 3.6Å; T640-V650 WeakPolarHBondContact CA-O 3.34Å; I641-V650 HydrophobicContact CB-CG2 3.94Å; I641-V650 HydrophobicContact CG2-CG2 4.45Å; I641-V650 PolarHBondContact N-O 2.61Å; I641-V650 PolarHBondContact O-N 3.18Å; V650-Y658 HydrophobicContact CG2-CD2 4.36Å; V650-R660 HydrophobicContact CG2-CB 3.95Å; V650-R660 HydrophobicContact CG2-CG 4.29Å
651	T	97.5	Very high	96.7	Very high	16 Å²	16	26.6 Å²	26.6	10%	0.098	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	151.3	178.9	61.3	0	0	0	0	111.8	H367 N583 A639	H367-T651 PolarHBondContact CE1-OG1 2.88Å; H367-T651 VanDerWaalsContact CE1-OG1 3.24Å; H367-T651 PolarHBondContact NE2-OG1 2.85Å; N583-T651 PolarHBondContact ND2-O 3.04Å; N583-T651 PolarHBondContact ND2-OG1 2.65Å; N583-T651 PolarHBondContact OD1-N 2.99Å; N583-T651 PolarHBondContact OD1-OG1 3.43Å; A639-T651 CarbonylContact O-C 3.51Å; A639-T651 WeakPolarHBondContact O-CA 3.35Å
652	T	97.6	Very high	96.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.168	C	C	.	.			trans	-77.5	140.9	168.4	56.2	0	0	0	0	111.9	V628 I636 N638 A639 G656 D657 Y658	V628-T652 HydrophobicContact CB-CG2 3.92Å; V628-T652 HydrophobicContact CG2-CG2 3.44Å; V628-T652 VanDerWaalsContact CG2-CG2 3.44Å; I636-T652 PolarHBondContact O-OG1 2.97Å; N638-T652 PolarHBondContact N-O 3.07Å; N638-T652 VanDerWaalsContact N-O 3.08Å; N638-T652 PolarHBondContact N-OG1 3.22Å; A639-T652 HydrophobicContact CB-CG2 3.91Å; A639-T652 PolarHBondContact N-OG1 3.06Å; A639-T652 PolarHBondContact O-N 2.68Å; T652-G656 VanDerWaalsContact CG2-O 3.27Å; T652-G656 WeakPolarHBondContact CG2-O 3.36Å; T652-D657 CarbonylContact C-O 3.36Å; T652-D657 WeakPolarHBondContact CA-O 3.11Å; T652-D657 WeakPolarHBondContact CB-O 3.48Å; T652-Y658 HydrophobicContact CG2-CD1 4.35Å
653	A	95.5	Very high	96.5	Very high	8 Å²	8	26.5 Å²	26.5	7%	0.066	17%	0.165	C	C	.	.			trans	-63.8	174.7	171.2	0	0	0	0	0	112.5	P395 T655 G656 D657	P395-A653 HydrophobicContact CB-CB 3.67Å; P395-A653 HydrophobicContact CG-CB 3.83Å; A653-T655 PolarHBondContact O-N 3.06Å; A653-T655 VanDerWaalsContact O-N 3.1Å; A653-G656 PolarHBondContact O-N 3.14Å; A653-D657 PolarHBondContact N-O 2.97Å
654	P	93.4	Very high	96.4	Very high	105 Å²	105	27.8 Å²	27.8	68%	0.682	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-25.8	179.3	-28.5	37.5	0	0	0	115.1	G656	P654-G656 VanDerWaalsContact C-N 3.26Å; P654-G656 PolarHBondContact O-N 2.92Å
655	T	93.8	Very high	96.3	Very high	36 Å²	36	23 Å²	23	22%	0.221	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	5.4	176.5	100.4	0	0	0	0	113.5	I254 P635 A653 D657	I254-T655 HydrophobicContact CG1-CG2 4.33Å; I254-T655 WeakPolarHBondContact CG1-OG1 3.21Å; P635-T655 VanDerWaalsContact CB-C 3.49Å; P635-T655 WeakPolarHBondContact CB-O 3.27Å; A653-T655 PolarHBondContact O-N 3.06Å; A653-T655 VanDerWaalsContact O-N 3.1Å; T655-D657 PolarHBondContact O-N 3.27Å; T655-D657 PolarHBondContact OG1-OD1 2.92Å; T655-D657 PolarHBondContact OG1-OD2 2.81Å
656	G	96.1	Very high	96.5	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	78.2	1.6	177.6	0	0	0	0	0	114.1	I627 V628 I636 T652 A653 P654	I627-G656 CarbonylContact C-O 3.56Å; I627-G656 WeakPolarHBondContact CA-O 3.47Å; I627-G656 WeakPolarHBondContact CG2-O 3.47Å; V628-G656 PolarHBondContact N-O 2.79Å; I636-G656 WeakPolarHBondContact O-CA 3.23Å; T652-G656 VanDerWaalsContact CG2-O 3.27Å; T652-G656 WeakPolarHBondContact CG2-O 3.36Å; A653-G656 PolarHBondContact O-N 3.14Å; P654-G656 VanDerWaalsContact C-N 3.26Å; P654-G656 PolarHBondContact O-N 2.92Å
657	D	96.9	Very high	96.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	156	175.1	55.2	-22.1	0	0	0	112.8	H252 I254 G255 G626 I627 T652 A653 T655 W659	H252-D657 IonicContact NE2-OD1 2.79Å; H252-D657 IonicContact NE2-OD2 2.67Å; H252-D657 PolarHBondContact NE2-OD2 2.87Å; I254-D657 WeakPolarHBondContact CA-OD2 3.44Å; I254-D657 HydrophobicContact CG2-CB 4.25Å; G255-D657 PolarHBondContact N-OD2 3.41Å; G626-D657 CarbonylContact O-C 3.58Å; G626-D657 VanDerWaalsContact O-CA 3.23Å; G626-D657 WeakPolarHBondContact O-CA 3.44Å; I627-D657 HydrophobicContact CG1-CB 4.2Å; T652-D657 CarbonylContact C-O 3.36Å; T652-D657 WeakPolarHBondContact CA-O 3.11Å; T652-D657 WeakPolarHBondContact CB-O 3.48Å; A653-D657 PolarHBondContact N-O 2.97Å; T655-D657 PolarHBondContact O-N 3.27Å; T655-D657 PolarHBondContact OG1-OD1 2.92Å; T655-D657 PolarHBondContact OG1-OD2 2.81Å; D657-W659 HydrophobicContact CB-CH2 4.28Å; D657-W659 VanDerWaalsContact OD2-CH2 3.24Å; D657-W659 WeakPolarHBondContact OD2-CH2 3.25Å
658	Y	98	Very high	96.7	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	158.7	179.8	80.3	-83.9	0	0	0	111.2	I624 R625 G626 V628 I641 V650 T652 R660 C694 F696	I624-Y658 HydrophobicContact CD1-CE2 4.17Å; I624-Y658 HydrophobicContact CG1-CE2 4.08Å; R625-Y658 VanDerWaalsContact CA-O 3.25Å; R625-Y658 WeakPolarHBondContact CA-O 3.22Å; R625-Y658 WeakPolarHBondContact CB-O 3.46Å; G626-Y658 PolarHBondContact N-O 2.73Å; G626-Y658 VanDerWaalsContact O-CD1 3.27Å; G626-Y658 WeakPolarHBondContact O-CD1 3.46Å; G626-Y658 PolarHBondContact O-N 2.98Å; V628-Y658 HydrophobicContact CG2-CD1 4.36Å; I641-Y658 HydrophobicContact CB-CD2 4.31Å; I641-Y658 HydrophobicContact CB-CE2 4.35Å; I641-Y658 HydrophobicContact CD1-CD1 4.1Å; I641-Y658 HydrophobicContact CD1-CE1 4.03Å; I641-Y658 HydrophobicContact CD1-CG 4.42Å; I641-Y658 HydrophobicContact CG1-CD1 3.93Å; I641-Y658 HydrophobicContact CG1-CD2 3.79Å; I641-Y658 HydrophobicContact CG1-CE1 4.15Å; I641-Y658 HydrophobicContact CG1-CE2 4.03Å; I641-Y658 HydrophobicContact CG1-CG 3.75Å; I641-Y658 HydrophobicContact CG2-CD2 4.2Å; I641-Y658 HydrophobicContact CG2-CE2 3.76Å; V650-Y658 HydrophobicContact CG2-CD2 4.36Å; T652-Y658 HydrophobicContact CG2-CD1 4.35Å; Y658-R660 HydrophobicContact CD2-CB 4.33Å; Y658-R660 HydrophobicContact CE2-CB 4.14Å; Y658-C694 WeakPolarHBondContact CE1-O 3.05Å; Y658-C694 PolarHBondContact OH-O 2.89Å; Y658-F696 HydrophobicContact CE1-CD2 4.37Å; Y658-F696 HydrophobicContact CE1-CE2 4.42Å
659	W	98.1	Very high	96.7	Very high	17 Å²	17	29.3 Å²	29.3	6%	0.064	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.9	169.5	-54.4	-103.4	0	0	0	107.8	H252 G255 E256 P257 V397 R625 D657	H252-W659 AromaticContact CE1-CH2 3.63Å; H252-W659 AromaticContact NE2-CH2 3.75Å; G255-W659 PolarHBondContact O-NE1 2.96Å; E256-W659 VanDerWaalsContact C-CZ2 3.45Å; E256-W659 WeakPolarHBondContact O-CZ2 3.5Å; P257-W659 HydrophobicContact CB-CD2 4.29Å; P257-W659 HydrophobicContact CB-CG 4.27Å; V397-W659 HydrophobicContact CB-CB 4.41Å; V397-W659 HydrophobicContact CG1-CB 3.65Å; V397-W659 HydrophobicContact CG1-CG 4.3Å; V397-W659 HydrophobicContact CG2-CB 3.8Å; V397-W659 HydrophobicContact CG2-CD2 3.67Å; V397-W659 HydrophobicContact CG2-CE3 3.57Å; V397-W659 HydrophobicContact CG2-CG 3.77Å; V397-W659 HydrophobicContact CG2-CZ3 4.44Å; R625-W659 HydrophobicContact CB-CG 4.24Å; D657-W659 HydrophobicContact CB-CH2 4.28Å; D657-W659 VanDerWaalsContact OD2-CH2 3.24Å; D657-W659 WeakPolarHBondContact OD2-CH2 3.25Å
660	R	97.7	Very high	96.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	100.2	170.2	-179.1	51.2	-173.4	-127.6	4.9	108.6	D524 Y585 I624 V643 H648 V650 Y658 L662	D524-R660 IonicContact OD1-CZ 2.68Å; D524-R660 IonicContact OD1-NE 3.69Å; D524-R660 IonicContact OD1-NH2 3.89Å; D524-R660 PolarHBondContact OD1-NH2 3.29Å; D524-R660 IonicContact OD2-CZ 3.84Å; D524-R660 IonicContact OD2-NH2 2.7Å; D524-R660 PolarHBondContact OD2-NH2 2.87Å; Y585-R660 PolarHBondContact OH-NE 3.28Å; Y585-R660 PolarHBondContact OH-NH1 3.4Å; Y585-R660 PolarHBondContact OH-NH2 3.23Å; I624-R660 HydrophobicContact CD1-CB 4.29Å; I624-R660 HydrophobicContact CG1-CB 3.81Å; I624-R660 PolarHBondContact N-O 3.11Å; I624-R660 PolarHBondContact O-N 3.07Å; V643-R660 HydrophobicContact CG2-CG 4.13Å; H648-R660 PolarHBondContact O-NH1 2.94Å; H648-R660 PolarHBondContact O-NH2 3.26Å; V650-R660 HydrophobicContact CG2-CB 3.95Å; V650-R660 HydrophobicContact CG2-CG 4.29Å; Y658-R660 HydrophobicContact CD2-CB 4.33Å; Y658-R660 HydrophobicContact CE2-CB 4.14Å; R660-L662 HydrophobicContact CG-CD1 4.31Å; R660-L662 HydrophobicContact CG-CD2 4.28Å; R660-L662 HydrophobicContact CG-CG 4.06Å; R660-L662 PolarHBondContact O-N 2.85Å
661	L	97.6	Very high	96.8	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.158	C	C	.	.			trans	-57.6	133	171.7	-57.9	-177.2	0	0	0	109.1	V397 L398 L527 L531 Y585 R622	V397-L661 HydrophobicContact CG1-CD1 4.33Å; V397-L661 HydrophobicContact CG1-CD2 4.04Å; V397-L661 HydrophobicContact CG1-CG 4.04Å; L398-L661 HydrophobicContact CB-CD1 4.25Å; L398-L661 HydrophobicContact CD1-CD1 4.05Å; L527-L661 HydrophobicContact CD1-CB 4.24Å; L527-L661 HydrophobicContact CD2-CB 3.49Å; L527-L661 VanDerWaalsContact CD2-CB 3.49Å; L527-L661 WeakPolarHBondContact CD2-O 3.4Å; L527-L661 HydrophobicContact CG-CB 4.46Å; L531-L661 HydrophobicContact CD1-CD1 4.48Å; Y585-L661 HydrophobicContact CD2-CD1 3.98Å; Y585-L661 HydrophobicContact CG-CD1 4.06Å; R622-L661 HydrophobicContact CB-CD2 4.49Å; R622-L661 WeakPolarHBondContact O-CD2 3.21Å
662	L	96.9	Very high	96.7	Very high	2 Å²	2	35 Å²	35	1%	0.01	18%	0.18	C	C	.	.			trans	-152.9	153.1	-178.3	-69.4	173.6	0	0	0	109	I624 I646 R660 Y667 V685	I624-L662 HydrophobicContact CD1-CD1 4.23Å; I624-L662 HydrophobicContact CG1-CD1 4.26Å; I624-L662 HydrophobicContact CG2-CD1 4.49Å; I646-L662 HydrophobicContact CD1-CD2 3.58Å; R660-L662 HydrophobicContact CG-CD1 4.31Å; R660-L662 HydrophobicContact CG-CD2 4.28Å; R660-L662 HydrophobicContact CG-CG 4.06Å; R660-L662 PolarHBondContact O-N 2.85Å; L662-Y667 HydrophobicContact CB-CE2 4.11Å; L662-Y667 HydrophobicContact CD1-CD1 4.26Å; L662-Y667 HydrophobicContact CD1-CD2 3.78Å; L662-Y667 HydrophobicContact CD1-CE1 4.49Å; L662-Y667 HydrophobicContact CD1-CE2 4.04Å; L662-Y667 HydrophobicContact CD1-CG 3.88Å; L662-Y667 HydrophobicContact CD2-CE1 4.21Å; L662-V685 HydrophobicContact CB-CG2 4.04Å; L662-V685 HydrophobicContact CD1-CG2 4.14Å
663	N	95.6	Very high	96.6	Very high	30 Å²	30	35.5 Å²	35.5	16%	0.16	18%	0.184	C	C	.	.			trans	-71.1	162.4	165.7	-76.9	-41	0	0	0	110.7	S526 R622 G665 Y667	S526-N663 PolarHBondContact O-ND2 2.88Å; S526-N663 PolarHBondContact OG-ND2 2.96Å; S526-N663 VanDerWaalsContact OG-ND2 3.17Å; R622-N663 PolarHBondContact NH1-OD1 3.44Å; N663-G665 PolarHBondContact O-N 2.83Å; N663-Y667 VanDerWaalsContact O-CE2 3.3Å; N663-Y667 WeakPolarHBondContact O-CE2 3.17Å; N663-Y667 PolarHBondContact O-OH 2.94Å
664	P	95.8	Very high	96.4	Very high	31 Å²	31	42.8 Å²	42.8	20%	0.201	22%	0.217	C	C	.	.	S	Bend	trans	-57.6	134.2	173.7	-25.9	35.5	0	0	0	112.2	V685 Y687	P664-V685 WeakPolarHBondContact CA-O 3.31Å; P664-Y687 HydrophobicContact CB-CD1 3.93Å; P664-Y687 HydrophobicContact CB-CD2 4.35Å; P664-Y687 HydrophobicContact CB-CE1 3.76Å; P664-Y687 HydrophobicContact CB-CE2 4.2Å; P664-Y687 HydrophobicContact CB-CG 4.22Å; P664-Y687 HydrophobicContact CG-CD1 3.75Å; P664-Y687 HydrophobicContact CG-CE1 3.87Å; P664-Y687 HydrophobicContact CG-CG 4.31Å
665	G	95.3	Very high	96.2	Very high	27 Å²	27	38.7 Å²	38.7	28%	0.278	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	161.4	174.5	-174.2	0	0	0	0	0	114.5	N663 Y667 V685	N663-G665 PolarHBondContact O-N 2.83Å; G665-Y667 WeakPolarHBondContact O-CD2 3.49Å; G665-V685 PolarHBondContact N-O 2.83Å; G665-V685 PolarHBondContact O-N 3.07Å
666	E	96.6	Very high	96.2	Very high	147 Å²	147	39 Å²	39	69%	0.687	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.1	173.9	-61	-168.6	176.7	0	0	110.5	L682 V684	E666-L682 HydrophobicContact CB-CD1 4.41Å; E666-V684 HydrophobicContact CG-CG2 4.31Å
667	Y	97.4	Very high	96	Very high	43 Å²	43	41.7 Å²	41.7	17%	0.169	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.2	-173.2	-65.4	-83.4	0	0	0	111.5	V643 I646 L662 N663 G665 V669 L682 C683 V685	V643-Y667 HydrophobicContact CG1-CD1 3.56Å; V643-Y667 HydrophobicContact CG1-CE1 4.41Å; V643-Y667 HydrophobicContact CG1-CG 4.17Å; I646-Y667 HydrophobicContact CD1-CE1 4.45Å; L662-Y667 HydrophobicContact CB-CE2 4.11Å; L662-Y667 HydrophobicContact CD1-CD1 4.26Å; L662-Y667 HydrophobicContact CD1-CD2 3.78Å; L662-Y667 HydrophobicContact CD1-CE1 4.49Å; L662-Y667 HydrophobicContact CD1-CE2 4.04Å; L662-Y667 HydrophobicContact CD1-CG 3.88Å; L662-Y667 HydrophobicContact CD2-CE1 4.21Å; N663-Y667 VanDerWaalsContact O-CE2 3.3Å; N663-Y667 WeakPolarHBondContact O-CE2 3.17Å; N663-Y667 PolarHBondContact O-OH 2.94Å; G665-Y667 WeakPolarHBondContact O-CD2 3.49Å; Y667-V669 PolarHBondContact O-N 3.03Å; Y667-L682 WeakPolarHBondContact O-CA 3.24Å; Y667-C683 PolarHBondContact N-O 2.82Å; Y667-C683 PolarHBondContact O-N 3.01Å; Y667-V685 HydrophobicContact CD2-CG2 3.91Å; Y667-V685 HydrophobicContact CE2-CB 4.34Å; Y667-V685 HydrophobicContact CE2-CG2 3.96Å
668	R	98	Very high	95.9	Very high	127 Å²	127	45.2 Å²	45.2	48%	0.479	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	112.1	167.8	-170.1	-171.9	-45.2	-72.1	-11.7	108.5	E644 T680 K681	E644-R668 HydrophobicContact CB-CB 3.94Å; E644-R668 PolarHBondContact N-O 2.86Å; E644-R668 WeakPolarHBondContact OE2-CB 3.46Å; E644-R668 VanDerWaalsContact OE2-CD 3.23Å; E644-R668 WeakPolarHBondContact OE2-CD 3.4Å; E644-R668 IonicContact OE2-CZ 3.03Å; E644-R668 IonicContact OE2-NE 2.67Å; E644-R668 PolarHBondContact OE2-NE 3.06Å; E644-R668 IonicContact OE2-NH2 3.86Å; R668-T680 HydrophobicContact CG-CG2 3.36Å; R668-K681 WeakPolarHBondContact CA-O 3.5Å
669	V	98.4	Very high	95.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.6	-173	-175.5	0	0	0	0	109.4	I624 I641 S642 V643 Y667 T680 K681 C683 F696	I624-V669 HydrophobicContact CD1-CG1 4.13Å; I624-V669 HydrophobicContact CD1-CG2 3.83Å; I641-V669 HydrophobicContact CG2-CG1 3.46Å; I641-V669 VanDerWaalsContact CG2-CG1 3.46Å; S642-V669 CarbonylContact O-C 3.57Å; S642-V669 WeakPolarHBondContact O-CA 3.27Å; V643-V669 HydrophobicContact CG2-CG2 4.34Å; Y667-V669 PolarHBondContact O-N 3.03Å; V669-T680 CarbonylContact O-C 3.58Å; V669-T680 WeakPolarHBondContact O-CA 3.47Å; V669-K681 PolarHBondContact N-O 2.93Å; V669-K681 PolarHBondContact O-N 2.75Å; V669-C683 VanDerWaalsContact CB-SG 3.6Å; V669-C683 HydrophobicContact CG2-CB 3.96Å; V669-C683 VanDerWaalsContact CG2-SG 3.51Å; V669-F696 HydrophobicContact CB-CZ 4.07Å; V669-F696 HydrophobicContact CG1-CE2 4.2Å; V669-F696 HydrophobicContact CG1-CZ 3.81Å
670	T	98.2	Very high	95.8	Very high	30 Å²	30	50.3 Å²	50.3	18%	0.184	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124	-179.5	-57.7	0	0	0	0	110.7	I641 S642 E679 T680	I641-T670 WeakPolarHBondContact CA-O 3.33Å; S642-T670 PolarHBondContact N-O 3.45Å; S642-T670 PolarHBondContact O-N 2.88Å; T670-E679 CarbonylContact C-O 3.46Å; T670-E679 WeakPolarHBondContact CA-O 3.26Å; T670-T680 WeakPolarHBondContact CG2-OG1 3.22Å; T670-T680 WeakPolarHBondContact OG1-CG2 3.28Å; T670-T680 PolarHBondContact OG1-OG1 3.21Å
671	A	98.2	Very high	95.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.2	169.5	0	0	0	0	0	110.5	V628 T640 I641 S678 E679 F696 L698	V628-A671 HydrophobicContact CG2-CB 4.34Å; T640-A671 CarbonylContact O-C 3.49Å; T640-A671 WeakPolarHBondContact O-CA 3.37Å; I641-A671 HydrophobicContact CD1-CB 3.61Å; A671-S678 CarbonylContact O-C 3.59Å; A671-S678 WeakPolarHBondContact O-CA 3.43Å; A671-S678 WeakPolarHBondContact O-CB 3.33Å; A671-E679 PolarHBondContact N-O 3.23Å; A671-E679 PolarHBondContact O-N 2.98Å; A671-F696 HydrophobicContact CB-CB 3.62Å; A671-F696 HydrophobicContact CB-CD1 3.49Å; A671-F696 VanDerWaalsContact CB-CD1 3.49Å; A671-F696 HydrophobicContact CB-CD2 3.77Å; A671-F696 HydrophobicContact CB-CE1 4.03Å; A671-F696 HydrophobicContact CB-CE2 4.29Å; A671-F696 HydrophobicContact CB-CG 3.34Å; A671-F696 HydrophobicContact CB-CZ 4.41Å; A671-L698 HydrophobicContact CB-CD2 4.09Å
672	K	95.8	Very high	95.7	Very high	129 Å²	129	58.3 Å²	58.3	56%	0.561	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.2	131.8	-177.7	176.6	-165.3	167.4	-153.7	0	109.9	A639 T640	A639-K672 CarbonylContact C-O 3.58Å; A639-K672 WeakPolarHBondContact CA-O 3.27Å; T640-K672 PolarHBondContact N-O 3.21Å; T640-K672 PolarHBondContact O-N 3.35Å
673	A	95.3	Very high	95.7	Very high	11 Å²	11	58.4 Å²	58.4	9%	0.091	31%	0.305	C	S	.	.			trans	-134.1	154.6	172.3	0	0	0	0	0	110.5	I636 A639 F676 L698	I636-A673 HydrophobicContact CG2-CB 3.61Å; A639-A673 HydrophobicContact CB-CB 3.94Å; A673-F676 HydrophobicContact CB-CB 4.25Å; A673-F676 HydrophobicContact CB-CD2 3.85Å; A673-F676 HydrophobicContact CB-CG 4.39Å; A673-F676 PolarHBondContact O-N 3.12Å; A673-L698 HydrophobicContact CB-CD1 3.93Å
674	E	90.8	Very high	95.8	Very high	161 Å²	161	60.5 Å²	60.5	75%	0.752	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	138.9	174.1	-178.9	161	-151.7	0	0	110.8	F676 K707	E674-F676 VanDerWaalsContact O-CD2 3.26Å; E674-F676 WeakPolarHBondContact O-CD2 3.49Å; E674-F676 PolarHBondContact O-N 2.65Å; E674-K707 IonicContact OE1-NZ 3.08Å; E674-K707 PolarHBondContact OE1-NZ 3.28Å; E674-K707 VanDerWaalsContact OE1-NZ 3.12Å
675	G	89.3	Confident	95.8	Very high	19 Å²	19	59.4 Å²	59.4	20%	0.196	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	-4.8	-175.4	0	0	0	0	0	114.7	S701 D704	G675-S701 VanDerWaalsContact C-OG 3.22Å; G675-S701 VanDerWaalsContact O-CB 3.28Å; G675-S701 WeakPolarHBondContact O-CB 3.47Å; G675-S701 PolarHBondContact O-N 3.2Å; G675-S701 PolarHBondContact O-OG 3.36Å; G675-D704 WeakPolarHBondContact CA-OD2 3.36Å
676	F	93.6	Very high	95.6	Very high	43 Å²	43	59.9 Å²	59.9	19%	0.189	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	159	179.3	-68.8	-88.9	0	0	0	113.6	D630 I636 A673 E674 L698 K700	D630-F676 HydrophobicContact CB-CE1 3.66Å; D630-F676 HydrophobicContact CB-CZ 4.02Å; I636-F676 HydrophobicContact CD1-CD1 3.9Å; I636-F676 HydrophobicContact CD1-CD2 4.01Å; I636-F676 HydrophobicContact CD1-CE1 3.63Å; I636-F676 HydrophobicContact CD1-CE2 3.76Å; I636-F676 HydrophobicContact CD1-CG 4.09Å; I636-F676 HydrophobicContact CD1-CZ 3.56Å; I636-F676 HydrophobicContact CG1-CE2 4.22Å; I636-F676 HydrophobicContact CG1-CZ 4.08Å; I636-F676 HydrophobicContact CG2-CD2 4.48Å; I636-F676 HydrophobicContact CG2-CE2 4.25Å; A673-F676 HydrophobicContact CB-CB 4.25Å; A673-F676 HydrophobicContact CB-CD2 3.85Å; A673-F676 HydrophobicContact CB-CG 4.39Å; A673-F676 PolarHBondContact O-N 3.12Å; E674-F676 VanDerWaalsContact O-CD2 3.26Å; E674-F676 WeakPolarHBondContact O-CD2 3.49Å; E674-F676 PolarHBondContact O-N 2.65Å; F676-L698 HydrophobicContact CB-CB 3.91Å; F676-L698 HydrophobicContact CB-CD1 4.05Å; F676-L698 HydrophobicContact CD1-CB 3.73Å; F676-L698 HydrophobicContact CG-CB 4.03Å; F676-L698 HydrophobicContact CG-CD1 4.46Å; F676-K700 HydrophobicContact CD1-CG 4.1Å; F676-K700 HydrophobicContact CE1-CG 3.58Å; F676-K700 HydrophobicContact CZ-CG 4.19Å
677	S	92.6	Very high	95.2	Very high	56 Å²	56	63.1 Å²	63.1	39%	0.392	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.6	172.2	-46.9	0	0	0	0	108.2	A699	S677-A699 WeakPolarHBondContact CB-O 3.46Å; S677-A699 PolarHBondContact N-O 2.76Å; S677-A699 PolarHBondContact OG-O 3.3Å
678	S	94.8	Very high	94.4	Very high	74 Å²	74	69.5 Å²	69.5	52%	0.517	36%	0.355	S	S	.	.			trans	-63.5	138.6	-178.5	53.7	0	0	0	0	112.4	A671	A671-S678 CarbonylContact O-C 3.59Å; A671-S678 WeakPolarHBondContact O-CA 3.43Å; A671-S678 WeakPolarHBondContact O-CB 3.33Å
679	E	96.4	Very high	93.3	Very high	55 Å²	55	69.3 Å²	69.3	26%	0.257	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	133	175.4	-175.9	-176.8	-152.9	0	0	109.6	T670 A671 K681 F696 N697 L698	T670-E679 CarbonylContact C-O 3.46Å; T670-E679 WeakPolarHBondContact CA-O 3.26Å; A671-E679 PolarHBondContact N-O 3.23Å; A671-E679 PolarHBondContact O-N 2.98Å; E679-K681 VanDerWaalsContact CD-CE 3.46Å; E679-K681 HydrophobicContact CG-CG 4.5Å; E679-K681 WeakPolarHBondContact OE1-CE 3.35Å; E679-K681 IonicContact OE1-NZ 2.92Å; E679-K681 PolarHBondContact OE1-NZ 2.89Å; E679-K681 IonicContact OE2-NZ 2.77Å; E679-K681 PolarHBondContact OE2-NZ 3.35Å; E679-F696 HydrophobicContact CB-CD1 4.12Å; E679-F696 HydrophobicContact CG-CD1 4.15Å; E679-F696 WeakPolarHBondContact OE2-CA 3.48Å; E679-N697 PolarHBondContact OE2-N 2.81Å; E679-L698 HydrophobicContact CB-CD2 3.65Å
680	T	97.6	Very high	92.6	Very high	70 Å²	70	71.1 Å²	71.1	43%	0.429	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.3	178.2	-57	0	0	0	0	110	R668 V669 T670	R668-T680 HydrophobicContact CG-CG2 3.36Å; V669-T680 CarbonylContact O-C 3.58Å; V669-T680 WeakPolarHBondContact O-CA 3.47Å; T670-T680 WeakPolarHBondContact CG2-OG1 3.22Å; T670-T680 WeakPolarHBondContact OG1-CG2 3.28Å; T670-T680 PolarHBondContact OG1-OG1 3.21Å
681	K	96.7	Very high	92.2	Very high	67 Å²	67	70.2 Å²	70.2	29%	0.291	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	163.7	-179.6	-77.7	170.5	168.6	144.6	0	110.8	R668 V669 E679 S695 F696	R668-K681 WeakPolarHBondContact CA-O 3.5Å; V669-K681 PolarHBondContact N-O 2.93Å; V669-K681 PolarHBondContact O-N 2.75Å; E679-K681 VanDerWaalsContact CD-CE 3.46Å; E679-K681 HydrophobicContact CG-CG 4.5Å; E679-K681 WeakPolarHBondContact OE1-CE 3.35Å; E679-K681 IonicContact OE1-NZ 2.92Å; E679-K681 PolarHBondContact OE1-NZ 2.89Å; E679-K681 IonicContact OE2-NZ 2.77Å; E679-K681 PolarHBondContact OE2-NZ 3.35Å; K681-S695 PolarHBondContact NZ-O 2.82Å; K681-F696 HydrophobicContact CB-CE1 3.86Å; K681-F696 HydrophobicContact CB-CZ 4.21Å; K681-F696 HydrophobicContact CD-CD1 3.91Å; K681-F696 HydrophobicContact CD-CE1 3.8Å; K681-F696 HydrophobicContact CD-CZ 4.4Å; K681-F696 HydrophobicContact CG-CD1 4.45Å; K681-F696 HydrophobicContact CG-CE1 4.01Å
682	L	97.4	Very high	92	Very high	102 Å²	102	72.8 Å²	72.8	53%	0.534	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.3	165	-170.2	73.5	0	0	0	107.2	E666 Y667	E666-L682 HydrophobicContact CB-CD1 4.41Å; Y667-L682 WeakPolarHBondContact O-CA 3.24Å
683	C	96.9	Very high	92	Very high	5 Å²	5	71.1 Å²	71.1	3%	0.034	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	140.1	170.3	-47.7	0	0	0	0	107.9	I624 Y667 V669 C694	I624-C683 HydrophobicContact CD1-CB 4.28Å; I624-C683 HydrophobicContact CG2-CB 3.99Å; Y667-C683 PolarHBondContact N-O 2.82Å; Y667-C683 PolarHBondContact O-N 3.01Å; V669-C683 VanDerWaalsContact CB-SG 3.6Å; V669-C683 HydrophobicContact CG2-CB 3.96Å; V669-C683 VanDerWaalsContact CG2-SG 3.51Å; C683-C694 HydrophobicContact CB-CB 3.78Å; C683-C694 WeakPolarHBondContact CB-SG 3.31Å; C683-C694 WeakPolarHBondContact SG-CB 3.41Å; C683-C694 CovalentContact SG-SG 2.03Å; C683-C694 PolarHBondContact SG-SG 2.72Å
684	V	95.9	Very high	92.1	Very high	74 Å²	74	71.2 Å²	71.2	45%	0.448	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.7	178.5	-179	0	0	0	0	107.5	E666 T692	E666-V684 HydrophobicContact CG-CG2 4.31Å; V684-T692 VanDerWaalsContact O-CB 3.32Å; V684-T692 WeakPolarHBondContact O-CB 2.92Å; V684-T692 WeakPolarHBondContact O-CG2 3.39Å; V684-T692 PolarHBondContact O-OG1 2.88Å
685	V	95.8	Very high	92.4	Very high	8 Å²	8	66 Å²	66	5%	0.048	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.9	174.1	-178.4	0	0	0	0	107.9	I624 L662 P664 G665 Y667	I624-V685 HydrophobicContact CG2-CG2 3.62Å; L662-V685 HydrophobicContact CB-CG2 4.04Å; L662-V685 HydrophobicContact CD1-CG2 4.14Å; P664-V685 WeakPolarHBondContact CA-O 3.31Å; G665-V685 PolarHBondContact N-O 2.83Å; G665-V685 PolarHBondContact O-N 3.07Å; Y667-V685 HydrophobicContact CD2-CG2 3.91Å; Y667-V685 HydrophobicContact CE2-CB 4.34Å; Y667-V685 HydrophobicContact CE2-CG2 3.96Å
686	G	91.4	Very high	92.8	Very high	37 Å²	37	65 Å²	65	38%	0.381	38%	0.379	S	S	.	.			trans	-76.7	176.4	178	0	0	0	0	0	113.9
687	Y	87.8	Confident	92.9	Very high	214 Å²	214	67.6 Å²	67.6	84%	0.839	40%	0.395	S	S	*	.	S	Bend	trans	-88	-11.3	168.9	-68.9	-86.4	0	0	0	113	P664	P664-Y687 HydrophobicContact CB-CD1 3.93Å; P664-Y687 HydrophobicContact CB-CD2 4.35Å; P664-Y687 HydrophobicContact CB-CE1 3.76Å; P664-Y687 HydrophobicContact CB-CE2 4.2Å; P664-Y687 HydrophobicContact CB-CG 4.22Å; P664-Y687 HydrophobicContact CG-CD1 3.75Å; P664-Y687 HydrophobicContact CG-CE1 3.87Å; P664-Y687 HydrophobicContact CG-CG 4.31Å
688	E	82.1	Confident	93.1	Very high	177 Å²	177	65 Å²	65	83%	0.827	38%	0.376	S	S	*	.	S	Bend	trans	-70	153.9	178.7	-64.3	-178.9	-179.8	0	0	111.7	G690	E688-G690 PolarHBondContact O-N 2.94Å; E688-G690 VanDerWaalsContact O-N 3.16Å
689	S	73.8	Confident	93	Very high	124 Å²	124	63 Å²	63	87%	0.867	36%	0.364	S	S	*	.	S	Bend	trans	-71	105	174.9	56.1	0	0	0	0	110.8
690	G	84.1	Confident	92.6	Very high	37 Å²	37	66.1 Å²	66.1	38%	0.381	38%	0.377	S	S	.	.	S	Bend	trans	148.6	143.1	173.6	0	0	0	0	0	113.8	H621 E688 T692	H621-G690 CarbonylContact O-C 3.13Å; H621-G690 VanDerWaalsContact O-CA 3.29Å; H621-G690 WeakPolarHBondContact O-CA 3.49Å; E688-G690 PolarHBondContact O-N 2.94Å; E688-G690 VanDerWaalsContact O-N 3.16Å; G690-T692 PolarHBondContact O-N 3.36Å
691	A	89.8	Confident	91.9	Very high	12 Å²	12	63.6 Å²	63.6	10%	0.099	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-76.5	123.1	-174.9	0	0	0	0	0	109.8	H621 R625 S693	H621-A691 WeakPolarHBondContact O-CA 3.28Å; H621-A691 PolarHBondContact O-N 3.26Å; R625-A691 HydrophobicContact CB-CB 4.03Å; R625-A691 HydrophobicContact CG-CB 3.71Å; A691-S693 PolarHBondContact O-N 2.84Å
692	T	94.6	Very high	91	Very high	54 Å²	54	65.6 Å²	65.6	33%	0.331	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	131.7	-175.1	-57.9	0	0	0	0	110.7	G623 I624 R625 V684 G690 C694	G623-T692 PolarHBondContact O-N 2.73Å; I624-T692 VanDerWaalsContact CA-O 3.25Å; I624-T692 WeakPolarHBondContact CA-O 3.4Å; R625-T692 PolarHBondContact N-O 2.84Å; V684-T692 VanDerWaalsContact O-CB 3.32Å; V684-T692 WeakPolarHBondContact O-CB 2.92Å; V684-T692 WeakPolarHBondContact O-CG2 3.39Å; V684-T692 PolarHBondContact O-OG1 2.88Å; G690-T692 PolarHBondContact O-N 3.36Å; T692-C694 PolarHBondContact O-N 3.43Å
693	S	95.3	Very high	89.9	Confident	93 Å²	93	68.4 Å²	68.4	65%	0.65	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	118.9	-177.6	-177.2	0	0	0	0	111.9	R625 A691	R625-S693 CarbonylContact O-C 3.48Å; R625-S693 VanDerWaalsContact O-CA 3.3Å; R625-S693 WeakPolarHBondContact O-CA 3.15Å; A691-S693 PolarHBondContact O-N 2.84Å
694	C	96.6	Very high	88.4	Confident	13 Å²	13	71.3 Å²	71.3	9%	0.088	40%	0.395	C	S	.	.			trans	-135	99.9	172	-149.9	0	0	0	0	110.1	R625 Y658 C683 T692	R625-C694 PolarHBondContact O-N 3.38Å; Y658-C694 WeakPolarHBondContact CE1-O 3.05Å; Y658-C694 PolarHBondContact OH-O 2.89Å; C683-C694 HydrophobicContact CB-CB 3.78Å; C683-C694 WeakPolarHBondContact CB-SG 3.31Å; C683-C694 WeakPolarHBondContact SG-CB 3.41Å; C683-C694 CovalentContact SG-SG 2.03Å; C683-C694 PolarHBondContact SG-SG 2.72Å; T692-C694 PolarHBondContact O-N 3.43Å
695	S	97.1	Very high	87	Confident	51 Å²	51	75.9 Å²	75.9	36%	0.357	40%	0.404	S	S	.	.			trans	-110.6	151.8	-174.8	-65.1	0	0	0	0	113	I627 K681	I627-S695 PolarHBondContact N-OG 3.29Å; I627-S695 VanDerWaalsContact N-OG 3.09Å; I627-S695 WeakPolarHBondContact O-CA 3.05Å; I627-S695 WeakPolarHBondContact O-CB 3.38Å; K681-S695 PolarHBondContact NZ-O 2.82Å
696	F	97.6	Very high	85.9	Confident	0 Å²	0	79 Å²	79	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.6	-170.7	-65.4	-94.2	0	0	0	112.2	I627 V628 K629 I641 Y658 V669 A671 E679 K681 L698	I627-F696 PolarHBondContact O-N 3.41Å; V628-F696 WeakPolarHBondContact CA-O 3.2Å; V628-F696 HydrophobicContact CG1-CB 4.35Å; V628-F696 HydrophobicContact CG2-CB 4.33Å; K629-F696 PolarHBondContact N-O 2.93Å; I641-F696 HydrophobicContact CD1-CD2 4.39Å; I641-F696 HydrophobicContact CD1-CE2 4.49Å; Y658-F696 HydrophobicContact CE1-CD2 4.37Å; Y658-F696 HydrophobicContact CE1-CE2 4.42Å; V669-F696 HydrophobicContact CB-CZ 4.07Å; V669-F696 HydrophobicContact CG1-CE2 4.2Å; V669-F696 HydrophobicContact CG1-CZ 3.81Å; A671-F696 HydrophobicContact CB-CB 3.62Å; A671-F696 HydrophobicContact CB-CD1 3.49Å; A671-F696 VanDerWaalsContact CB-CD1 3.49Å; A671-F696 HydrophobicContact CB-CD2 3.77Å; A671-F696 HydrophobicContact CB-CE1 4.03Å; A671-F696 HydrophobicContact CB-CE2 4.29Å; A671-F696 HydrophobicContact CB-CG 3.34Å; A671-F696 HydrophobicContact CB-CZ 4.41Å; E679-F696 HydrophobicContact CB-CD1 4.12Å; E679-F696 HydrophobicContact CG-CD1 4.15Å; E679-F696 WeakPolarHBondContact OE2-CA 3.48Å; K681-F696 HydrophobicContact CB-CE1 3.86Å; K681-F696 HydrophobicContact CB-CZ 4.21Å; K681-F696 HydrophobicContact CD-CD1 3.91Å; K681-F696 HydrophobicContact CD-CE1 3.8Å; K681-F696 HydrophobicContact CD-CZ 4.4Å; K681-F696 HydrophobicContact CG-CD1 4.45Å; K681-F696 HydrophobicContact CG-CE1 4.01Å; F696-L698 HydrophobicContact CB-CD2 4.38Å
697	N	96.7	Very high	84.8	Confident	96 Å²	96	81.8 Å²	81.8	51%	0.513	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	91.1	-178.6	-75.5	-19.1	0	0	0	109.1	K629 E679	K629-N697 CarbonylContact O-C 3.56Å; K629-N697 WeakPolarHBondContact O-CA 3.16Å; E679-N697 PolarHBondContact OE2-N 2.81Å
698	L	95.7	Very high	83.9	Confident	1 Å²	1	77.9 Å²	77.9	1%	0.005	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	133.7	-170.4	-55.5	-174.1	0	0	0	112.2	V628 K629 Q631 I636 A671 A673 F676 E679 F696	V628-L698 HydrophobicContact CG1-CD1 3.62Å; V628-L698 HydrophobicContact CG1-CG 3.79Å; K629-L698 PolarHBondContact O-N 2.95Å; Q631-L698 PolarHBondContact N-O 3.22Å; I636-L698 HydrophobicContact CD1-CB 3.99Å; I636-L698 HydrophobicContact CD1-CD1 4.13Å; I636-L698 HydrophobicContact CD1-CG 4.3Å; A671-L698 HydrophobicContact CB-CD2 4.09Å; A673-L698 HydrophobicContact CB-CD1 3.93Å; F676-L698 HydrophobicContact CB-CB 3.91Å; F676-L698 HydrophobicContact CB-CD1 4.05Å; F676-L698 HydrophobicContact CD1-CB 3.73Å; F676-L698 HydrophobicContact CG-CB 4.03Å; F676-L698 HydrophobicContact CG-CD1 4.46Å; E679-L698 HydrophobicContact CB-CD2 3.65Å; F696-L698 HydrophobicContact CB-CD2 4.38Å
699	A	92.8	Very high	83.3	Confident	32 Å²	32	72.6 Å²	72.6	26%	0.264	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.6	174.4	0	0	0	0	0	110.6	S677 S701	S677-A699 WeakPolarHBondContact CB-O 3.46Å; S677-A699 PolarHBondContact N-O 2.76Å; S677-A699 PolarHBondContact OG-O 3.3Å; A699-S701 PolarHBondContact O-N 2.79Å
700	K	88	Confident	83.1	Confident	122 Å²	122	69.8 Å²	69.8	53%	0.53	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	128	174.9	-70.7	179.5	-179.7	161.6	0	109.9	D630 F676	D630-K700 IonicContact OD2-NZ 3.58Å; F676-K700 HydrophobicContact CD1-CG 4.1Å; F676-K700 HydrophobicContact CE1-CG 3.58Å; F676-K700 HydrophobicContact CZ-CG 4.19Å
701	S	83.5	Confident	82.6	Confident	17 Å²	17	71.2 Å²	71.2	12%	0.119	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-75.5	149.8	-179.4	77.2	0	0	0	0	110.3	G675 A699 W703	G675-S701 VanDerWaalsContact C-OG 3.22Å; G675-S701 VanDerWaalsContact O-CB 3.28Å; G675-S701 WeakPolarHBondContact O-CB 3.47Å; G675-S701 PolarHBondContact O-N 3.2Å; G675-S701 PolarHBondContact O-OG 3.36Å; A699-S701 PolarHBondContact O-N 2.79Å; S701-W703 PolarHBondContact O-N 3.39Å; S701-W703 WeakPolarHBondContact OG-CB 3.3Å; S701-W703 PolarHBondContact OG-N 2.85Å
702	N	79.1	Confident	81.8	Confident	109 Å²	109	77.3 Å²	77.3	58%	0.583	40%	0.399	S	S	*	.	S	Bend	trans	-78.2	4.5	164.8	-73	-67	0	0	0	112.1	D704 R705 I706	N702-D704 PolarHBondContact O-N 3.38Å; N702-R705 PolarHBondContact O-N 2.7Å; N702-I706 HydrophobicContact CB-CD1 4.29Å; N702-I706 WeakPolarHBondContact O-CD1 3.28Å; N702-I706 VanDerWaalsContact O-CG1 3.23Å; N702-I706 WeakPolarHBondContact O-CG1 3.21Å; N702-I706 PolarHBondContact O-N 3.13Å
703	W	72.9	Confident	80.5	Confident	161 Å²	161	80.6 Å²	80.6	61%	0.61	41%	0.411	S	S	*	.	H	α-helix	trans	-65.7	-39.1	-172.8	-96.2	112.4	0	0	0	113	S701 I706 K707	S701-W703 PolarHBondContact O-N 3.39Å; S701-W703 WeakPolarHBondContact OG-CB 3.3Å; S701-W703 PolarHBondContact OG-N 2.85Å; W703-I706 HydrophobicContact CE3-CB 4.38Å; W703-I706 HydrophobicContact CE3-CG2 4.13Å; W703-I706 HydrophobicContact CZ3-CG2 4.16Å; W703-I706 CarbonylContact O-C 3.38Å; W703-I706 WeakPolarHBondContact O-CA 3.15Å; W703-I706 WeakPolarHBondContact O-CB 3.3Å; W703-I706 PolarHBondContact O-N 3.3Å; W703-I706 VanDerWaalsContact O-N 3.13Å; W703-K707 WeakPolarHBondContact O-CG 3.47Å; W703-K707 PolarHBondContact O-N 2.9Å
704	D	65.9	Low	79.2	Confident	65 Å²	65	78.7 Å²	78.7	35%	0.348	41%	0.406	S	S	.	.	H	α-helix	trans	-72.2	-33.6	179.5	-57.6	-49.1	0	0	0	111.9	G675 N702 I706 K707 Q708	G675-D704 WeakPolarHBondContact CA-OD2 3.36Å; N702-D704 PolarHBondContact O-N 3.38Å; D704-I706 VanDerWaalsContact C-N 3.3Å; D704-I706 PolarHBondContact O-N 3.32Å; D704-K707 PolarHBondContact O-N 2.91Å; D704-K707 WeakPolarHBondContact OD1-CD 3.46Å; D704-K707 WeakPolarHBondContact OD1-CE 3.49Å; D704-K707 IonicContact OD1-NZ 2.76Å; D704-K707 PolarHBondContact OD1-NZ 3.42Å; D704-Q708 VanDerWaalsContact O-CB 3.3Å; D704-Q708 WeakPolarHBondContact O-CB 3.42Å; D704-Q708 PolarHBondContact O-N 3.34Å
705	R	67.5	Low	77.5	Confident	171 Å²	171	83.7 Å²	83.7	65%	0.645	43%	0.432	S	S	*	.	H	α-helix	trans	-62.5	-38.5	168	-170	175	-176.4	170.1	2.9	111.4	N702 I709	N702-R705 PolarHBondContact O-N 2.7Å; R705-I709 HydrophobicContact CG-CD1 4.08Å; R705-I709 WeakPolarHBondContact O-CB 3.37Å; R705-I709 WeakPolarHBondContact O-CD1 3.48Å; R705-I709 WeakPolarHBondContact O-CG1 3.36Å; R705-I709 PolarHBondContact O-N 2.83Å
706	I	71.1	Confident	75.7	Confident	72 Å²	72	88.7 Å²	88.7	37%	0.369	45%	0.447	S	S	.	.	H	α-helix	trans	-69	-44.8	174.9	-69	162.6	0	0	0	111.1	N702 W703 D704 Q708 I709 M710	N702-I706 HydrophobicContact CB-CD1 4.29Å; N702-I706 WeakPolarHBondContact O-CD1 3.28Å; N702-I706 VanDerWaalsContact O-CG1 3.23Å; N702-I706 WeakPolarHBondContact O-CG1 3.21Å; N702-I706 PolarHBondContact O-N 3.13Å; W703-I706 HydrophobicContact CE3-CB 4.38Å; W703-I706 HydrophobicContact CE3-CG2 4.13Å; W703-I706 HydrophobicContact CZ3-CG2 4.16Å; W703-I706 CarbonylContact O-C 3.38Å; W703-I706 WeakPolarHBondContact O-CA 3.15Å; W703-I706 WeakPolarHBondContact O-CB 3.3Å; W703-I706 PolarHBondContact O-N 3.3Å; W703-I706 VanDerWaalsContact O-N 3.13Å; D704-I706 VanDerWaalsContact C-N 3.3Å; D704-I706 PolarHBondContact O-N 3.32Å; I706-Q708 VanDerWaalsContact C-N 3.33Å; I706-Q708 PolarHBondContact O-N 2.83Å; I706-I709 PolarHBondContact O-N 2.81Å; I706-M710 HydrophobicContact CG2-CG 4.31Å; I706-M710 HydrophobicContact CG2-SD 3.84Å; I706-M710 WeakPolarHBondContact O-CB 3.5Å; I706-M710 VanDerWaalsContact O-CG 3.27Å; I706-M710 WeakPolarHBondContact O-CG 3.34Å; I706-M710 PolarHBondContact O-N 2.87Å
707	K	69.5	Low	73.6	Confident	96 Å²	96	94.5 Å²	94.5	42%	0.417	49%	0.485	S	S	.	.	H	α-helix	trans	-56	-47	173.3	-72.5	176.2	-172.5	162	0	110.3	E674 W703 D704 M710 A711	E674-K707 IonicContact OE1-NZ 3.08Å; E674-K707 PolarHBondContact OE1-NZ 3.28Å; E674-K707 VanDerWaalsContact OE1-NZ 3.12Å; W703-K707 WeakPolarHBondContact O-CG 3.47Å; W703-K707 PolarHBondContact O-N 2.9Å; D704-K707 PolarHBondContact O-N 2.91Å; D704-K707 WeakPolarHBondContact OD1-CD 3.46Å; D704-K707 WeakPolarHBondContact OD1-CE 3.49Å; D704-K707 IonicContact OD1-NZ 2.76Å; D704-K707 PolarHBondContact OD1-NZ 3.42Å; K707-M710 PolarHBondContact O-N 2.84Å; K707-A711 WeakPolarHBondContact O-CB 3.42Å; K707-A711 PolarHBondContact O-N 2.72Å
708	Q	67.8	Low	71.5	Confident	133 Å²	133	94.6 Å²	94.6	62%	0.621	48%	0.484	S	S	*	.	H	α-helix	trans	-64.9	-42.2	179.5	-164.3	176.8	33.8	0	0	111.9	D704 I706 A711 L712	D704-Q708 VanDerWaalsContact O-CB 3.3Å; D704-Q708 WeakPolarHBondContact O-CB 3.42Å; D704-Q708 PolarHBondContact O-N 3.34Å; I706-Q708 VanDerWaalsContact C-N 3.33Å; I706-Q708 PolarHBondContact O-N 2.83Å; Q708-A711 PolarHBondContact O-N 2.85Å; Q708-L712 WeakPolarHBondContact O-CB 3.31Å; Q708-L712 VanDerWaalsContact O-CG 3.27Å; Q708-L712 WeakPolarHBondContact O-CG 3.2Å; Q708-L712 PolarHBondContact O-N 2.81Å
709	I	69.1	Low	69.1	Low	65 Å²	65	105.9 Å²	105.9	33%	0.333	53%	0.527	S	S	.	.	H	α-helix	trans	-63.9	-41.3	172.6	-71.7	167.2	0	0	0	111.1	R705 I706 L712 H713 I718	R705-I709 HydrophobicContact CG-CD1 4.08Å; R705-I709 WeakPolarHBondContact O-CB 3.37Å; R705-I709 WeakPolarHBondContact O-CD1 3.48Å; R705-I709 WeakPolarHBondContact O-CG1 3.36Å; R705-I709 PolarHBondContact O-N 2.83Å; I706-I709 PolarHBondContact O-N 2.81Å; I709-L712 PolarHBondContact O-N 2.87Å; I709-H713 WeakPolarHBondContact O-CB 3.39Å; I709-H713 PolarHBondContact O-CD2 2.83Å; I709-H713 VanDerWaalsContact O-CD2 3.27Å; I709-H713 PolarHBondContact O-N 2.84Å; I709-I718 HydrophobicContact CG2-CD1 3.6Å
710	M	69.9	Low	66.7	Low	66 Å²	66	111.6 Å²	111.6	33%	0.325	55%	0.552	S	S	.	*	H	α-helix	trans	-64.7	-42.6	177.2	-75.4	176.5	63.7	0	0	111.8	I706 K707 H713 G714 N715	I706-M710 HydrophobicContact CG2-CG 4.31Å; I706-M710 HydrophobicContact CG2-SD 3.84Å; I706-M710 WeakPolarHBondContact O-CB 3.5Å; I706-M710 VanDerWaalsContact O-CG 3.27Å; I706-M710 WeakPolarHBondContact O-CG 3.34Å; I706-M710 PolarHBondContact O-N 2.87Å; K707-M710 PolarHBondContact O-N 2.84Å; M710-H713 CarbonylContact O-C 3.46Å; M710-H713 PolarHBondContact O-N 2.92Å; M710-G714 PolarHBondContact O-N 3.22Å; M710-N715 PolarHBondContact O-N 3.15Å; M710-N715 PolarHBondContact O-OD1 3.16Å
711	A	73.9	Confident	64.3	Low	66 Å²	66	110.8 Å²	110.8	55%	0.545	56%	0.562	S	S	.	*	H	α-helix	trans	-61	-45.7	174.5	0	0	0	0	0	111.6	K707 Q708 H713 G714	K707-A711 WeakPolarHBondContact O-CB 3.42Å; K707-A711 PolarHBondContact O-N 2.72Å; Q708-A711 PolarHBondContact O-N 2.85Å; A711-H713 VanDerWaalsContact C-N 3.26Å; A711-H713 PolarHBondContact O-N 3.33Å; A711-G714 PolarHBondContact O-N 2.84Å
712	L	73.8	Confident	62.1	Low	140 Å²	140	120.1 Å²	120.1	73%	0.733	60%	0.596	S	S	*	*	H	α-helix	trans	-63.5	-27.7	175.3	-72.1	167.2	0	0	0	113.4	Q708 I709	Q708-L712 WeakPolarHBondContact O-CB 3.31Å; Q708-L712 VanDerWaalsContact O-CG 3.27Å; Q708-L712 WeakPolarHBondContact O-CG 3.2Å; Q708-L712 PolarHBondContact O-N 2.81Å; I709-L712 PolarHBondContact O-N 2.87Å
713	H	66.7	Low	59.9	Low	123 Å²	123	120 Å²	120	57%	0.569	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	18.6	177.5	-72.8	-70.5	0	0	0	114.3	I709 M710 A711	I709-H713 WeakPolarHBondContact O-CB 3.39Å; I709-H713 PolarHBondContact O-CD2 2.83Å; I709-H713 VanDerWaalsContact O-CD2 3.27Å; I709-H713 PolarHBondContact O-N 2.84Å; M710-H713 CarbonylContact O-C 3.46Å; M710-H713 PolarHBondContact O-N 2.92Å; A711-H713 VanDerWaalsContact C-N 3.26Å; A711-H713 PolarHBondContact O-N 3.33Å
714	G	68.8	Low	58.1	Low	53 Å²	53	119.6 Å²	119.6	55%	0.546	61%	0.614	S	S	.	*	T	Hydrogen-bonded Turn	trans	66.9	37.6	171.5	0	0	0	0	0	114.6	M710 A711 K716	M710-G714 PolarHBondContact O-N 3.22Å; A711-G714 PolarHBondContact O-N 2.84Å; G714-K716 PolarHBondContact O-N 3.49Å; G714-K716 VanDerWaalsContact O-N 3.1Å
715	N	60.7	Low	56.6	Low	118 Å²	118	122.1 Å²	122.1	63%	0.631	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.3	26.5	175.7	-70.2	-13	0	0	0	115.8	M710	M710-N715 PolarHBondContact O-N 3.15Å; M710-N715 PolarHBondContact O-OD1 3.16Å
716	K	58.7	Low	54.9	Low	156 Å²	156	125.5 Å²	125.5	68%	0.678	65%	0.649	S	S	*	*			trans	-92.7	138.5	173.1	-69.4	173.7	-174.3	173.1	0	110.8	G714 I718	G714-K716 PolarHBondContact O-N 3.49Å; G714-K716 VanDerWaalsContact O-N 3.1Å; K716-I718 PolarHBondContact O-N 3.15Å
717	P	52.9	Low	53	Low	123 Å²	123	128.4 Å²	128.4	80%	0.799	67%	0.67	S	S	*	*			trans	-64	121.2	177	25.6	-33.3	0	0	0	110.4	R719	P717-R719 PolarHBondContact O-N 2.99Å; P717-R719 VanDerWaalsContact O-N 3.13Å
718	I	53.2	Low	51.2	Low	97 Å²	97	132.7 Å²	132.7	50%	0.497	69%	0.692	S	S	.	*			trans	-69.9	110.3	-178.7	-61.6	175	0	0	0	108.9	I709 K716 L720	I709-I718 HydrophobicContact CG2-CD1 3.6Å; K716-I718 PolarHBondContact O-N 3.15Å; I718-L720 PolarHBondContact O-N 2.04Å
719	R	46.4	Very low	49.3	Very low	239 Å²	239	132.1 Å²	132.1	90%	0.902	70%	0.698	S	S	*	*			trans	-70.5	98.7	171.3	-114.1	-175	178.1	-177.1	0.8	109.2	P717 S721	P717-R719 PolarHBondContact O-N 2.99Å; P717-R719 VanDerWaalsContact O-N 3.13Å; R719-S721 VanDerWaalsContact C-N 3.3Å; R719-S721 PolarHBondContact O-N 3.24Å
720	L	42.4	Very low	47.3	Very low	152 Å²	152	134.4 Å²	134.4	80%	0.796	72%	0.72	S	S	*	*			trans	-66.2	88.9	167.4	-75.8	166.4	0	0	0	109.9	I718 Y722	I718-L720 PolarHBondContact O-N 2.04Å; L720-Y722 PolarHBondContact O-N 2.6Å; L720-Y722 VanDerWaalsContact O-N 3.14Å
721	S	36.7	Very low	45.3	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	75%	0.745	S	S	*	*			trans	-72	100.9	168.7	56.2	0	0	0	0	109.5	R719 S723	R719-S721 VanDerWaalsContact C-N 3.3Å; R719-S721 PolarHBondContact O-N 3.24Å; S721-S723 PolarHBondContact O-N 2.98Å
722	Y	36.7	Very low	43.1	Very low	212 Å²	212	145.3 Å²	145.3	83%	0.831	76%	0.762	S	S	*	*			trans	-59.6	103.3	165.7	-94.1	-94.1	0	0	0	109.6	L720 N724	L720-Y722 PolarHBondContact O-N 2.6Å; L720-Y722 VanDerWaalsContact O-N 3.14Å; Y722-N724 PolarHBondContact O-N 3.49Å
723	S	33.7	Very low	41	Very low	107 Å²	107	143.8 Å²	143.8	75%	0.748	76%	0.763	S	S	*	*			trans	-75.7	88.3	171.1	41.6	0	0	0	0	109.7	S721 S725	S721-S723 PolarHBondContact O-N 2.98Å; S723-S725 VanDerWaalsContact C-N 3.3Å; S723-S725 PolarHBondContact O-N 2.94Å
724	N	33.9	Very low	39.1	Very low	152 Å²	152	144 Å²	144	81%	0.813	78%	0.778	S	S	*	*			trans	-65.1	90.8	166.7	-96.6	-17.9	0	0	0	109.8	Y722 R726	Y722-N724 PolarHBondContact O-N 3.49Å; N724-R726 PolarHBondContact O-N 2.89Å
725	S	34.6	Very low	37.1	Very low	119 Å²	119	144.1 Å²	144.1	83%	0.832	78%	0.78	S	S	*	*			trans	-72.6	77.8	167.8	47.2	0	0	0	0	110.3	S723	S723-S725 VanDerWaalsContact C-N 3.3Å; S723-S725 PolarHBondContact O-N 2.94Å
726	R	31.9	Very low	35.6	Very low	242 Å²	242	143.7 Å²	143.7	91%	0.913	79%	0.786	S	S	*	*			trans	-109.5	100.8	169.4	-145.2	174.9	-167.5	179	3.7	110.7	N724	N724-R726 PolarHBondContact O-N 2.89Å
727	T	32.8	Very low	34.2	Very low	132 Å²	132	144.4 Å²	144.4	81%	0.81	79%	0.792	S	S	*	*			trans	-65.5	125.4	172.3	31.3	0	0	0	0	111.3
728	Q	31.9	Very low	33	Very low	186 Å²	186	147.7 Å²	147.7	87%	0.869	79%	0.793	S	S	*	*			trans	-161.4	107.1	150.1	-113.9	170.6	16.7	0	0	113.3
729	T	27.5	Very low	31.8	Very low	122 Å²	122	154.3 Å²	154.3	75%	0.748	81%	0.812	S	S	*	*			trans	18.9	109.4	142.5	52.2	0	0	0	0	121.4
730	S	26.5	Very low	31	Very low	113 Å²	113	149.1 Å²	149.1	79%	0.79	81%	0.807	S	S	*	*			trans	28.6	126	130.5	63.6	0	0	0	0	122.8
731	S	28.6	Very low	30.3	Very low	122 Å²	122	149.2 Å²	149.2	85%	0.853	81%	0.806	S	S	*	*				-160	142.2	126	58.7	0	0	0	0	113.6
732	R	27.2	Very low	29.8	Very low	238 Å²	238	149.9 Å²	149.9	90%	0.898	81%	0.811	S	S	*	*			trans	-66.6	152.9	179.5	-57.3	158.8	156.6	160.4	-9.6	111.6
733	S	28.7	Very low	29.4	Very low	109 Å²	109	143.3 Å²	143.3	76%	0.762	81%	0.808	S	S	*	*				162.2	161.1	69	52.5	0	0	0	0	111.2
734	S	27.6	Very low	29.1	Very low	127 Å²	127	141.8 Å²	141.8	89%	0.888	81%	0.809	S	S	*	*			trans	63	138.5	159.1	-155.8	0	0	0	0	119.1
735	G	27.5	Very low	28.9	Very low	56 Å²	56	143.2 Å²	143.2	58%	0.577	82%	0.816	S	S	*	*			cis	171.5	167	-3.1	0	0	0	0	0	113.1
736	S	28.3	Very low	28.6	Very low	108 Å²	108	141.4 Å²	141.4	76%	0.755	82%	0.817	S	S	*	*			trans	60.8	116.5	163.4	57.8	0	0	0	0	121.9
737	Q	28.7	Very low	28.5	Very low	172 Å²	172	140.3 Å²	140.3	80%	0.804	82%	0.819	S	S	*	*				56.4	137.6	127	-61.4	-177.5	0.9	0	0	119.7
738	K	28.7	Very low	28.3	Very low	192 Å²	192	139.2 Å²	139.2	84%	0.835	82%	0.817	S	S	*	*			cis	-165.3	163.1	45.7	-131.6	161.2	-166.3	177.3	0	111.5
739	R	27.3	Very low	28.3	Very low	236 Å²	236	135.6 Å²	135.6	89%	0.891	81%	0.812	S	S	*	*			trans	-82.1	153.5	166.4	-67.3	175.1	175.1	169.1	-3	110.6
740	V	29	Very low	28.6	Very low	130 Å²	130	136.5 Å²	136.5	79%	0.788	81%	0.812	S	S	*	*				165.5	129.7	110.4	162.4	0	0	0	0	113.1
741	I	28.1	Very low	29.1	Very low	153 Å²	153	137 Å²	137	79%	0.785	82%	0.815	S	S	*	*			trans	-21.6	146.8	159.2	-29.5	178.9	0	0	0	119.8
742	S	27	Very low	29.6	Very low	120 Å²	120	138.2 Å²	138.2	84%	0.839	81%	0.813	S	S	*	*			trans	101.1	143.8	135.2	-149.5	0	0	0	0	120.8
743	G	27.4	Very low	30.5	Very low	74 Å²	74	130 Å²	130	76%	0.763	80%	0.795	S	S	*	*			trans	114.7	105.7	142	0	0	0	0	0	116.4
744	G	27.6	Very low	32	Very low	75 Å²	75	127.5 Å²	127.5	77%	0.773	78%	0.778	S	S	*	*			trans	-83.2	169.7	-176.5	0	0	0	0	0	117.6
745	N	31.1	Very low	33.3	Very low	181 Å²	181	126.8 Å²	126.8	97%	0.968	77%	0.77	S	S	*	*			trans	68.3	120.2	159.6	-69.2	-3.6	0	0	0	121.2
746	G	27.7	Very low	34.6	Very low	82 Å²	82	131.4 Å²	131.4	85%	0.845	78%	0.777	S	S	*	*			trans	-173.6	123.9	161.7	0	0	0	0	0	110.9
747	F	28.9	Very low	35.7	Very low	219 Å²	219	134.7 Å²	134.7	96%	0.961	77%	0.773	S	S	*	*			trans	-82.3	166.2	-169.6	-122.3	-109	0	0	0	114.5
748	S	29.5	Very low	37	Very low	108 Å²	108	132.8 Å²	132.8	76%	0.755	77%	0.766	S	S	*	*			trans	114.9	134.6	163.4	-168.4	0	0	0	0	114.6
749	S	31.2	Very low	38.5	Very low	111 Å²	111	132.5 Å²	132.5	78%	0.776	76%	0.759	S	S	*	*			cis	-161.4	172.9	-11.8	42.2	0	0	0	0	111.9
750	N	33.5	Very low	40	Very low	140 Å²	140	127.9 Å²	127.9	75%	0.749	75%	0.749	S	S	*	*			trans	-55.9	150.8	-170.7	-73.5	-49.6	0	0	0	118.2
751	S	37.4	Very low	41.8	Very low	123 Å²	123	127.3 Å²	127.3	86%	0.86	74%	0.741	S	S	*	*				-148.7	78.1	128.8	52.3	0	0	0	0	112.9	A753	S751-A753 PolarHBondContact O-N 2.94Å
752	N	39.1	Very low	43.6	Very low	148 Å²	148	129.2 Å²	129.2	79%	0.791	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-69.1	120.1	170.2	-81.7	-34.6	0	0	0	111
753	A	45.8	Very low	45.6	Very low	65 Å²	65	126.9 Å²	126.9	54%	0.537	72%	0.716	S	S	.	*	P	Polyproline II helix	trans	-75.2	131.1	169.8	0	0	0	0	0	110.5	S751	S751-A753 PolarHBondContact O-N 2.94Å
754	S	60.1	Low	47.4	Very low	58 Å²	58	126 Å²	126	41%	0.406	70%	0.701	S	S	.	*	P	Polyproline II helix	trans	-64.7	148	-174.3	74.1	0	0	0	0	113.1	Q756 R757 M758	S754-Q756 PolarHBondContact O-N 3.46Å; S754-Q756 VanDerWaalsContact O-N 3.08Å; S754-R757 WeakPolarHBondContact O-CB 3.33Å; S754-R757 PolarHBondContact O-N 2.93Å; S754-M758 PolarHBondContact O-N 3.27Å
755	P	56.2	Low	49.2	Very low	111 Å²	111	131.5 Å²	131.5	72%	0.721	70%	0.699	S	S	*	*	H	α-helix	trans	-56.2	-29.6	-179.4	-27.6	35.4	0	0	0	114.2	M758 R759	P755-M758 PolarHBondContact O-N 3.01Å; P755-R759 PolarHBondContact O-N 2.95Å
756	Q	54	Low	51	Low	153 Å²	153	127.7 Å²	127.7	72%	0.715	68%	0.677	S	S	*	*	H	α-helix	trans	-65.2	-38.5	176.9	-67.5	167.2	-16.6	0	0	112	S754 R759 M760	S754-Q756 PolarHBondContact O-N 3.46Å; S754-Q756 VanDerWaalsContact O-N 3.08Å; Q756-R759 PolarHBondContact O-N 2.89Å; Q756-M760 WeakPolarHBondContact O-CG 3.39Å; Q756-M760 PolarHBondContact O-N 2.91Å
757	R	51.7	Low	52.8	Low	177 Å²	177	132.4 Å²	132.4	67%	0.668	67%	0.67	S	S	*	*	H	α-helix	trans	-68	-39.3	177.6	-163	173.7	-174.8	176.5	1.3	111.4	S754 M760 L761	S754-R757 WeakPolarHBondContact O-CB 3.33Å; S754-R757 PolarHBondContact O-N 2.93Å; R757-M760 PolarHBondContact O-N 3.03Å; R757-L761 WeakPolarHBondContact O-CG 3.24Å; R757-L761 PolarHBondContact O-N 2.99Å; R757-L761 VanDerWaalsContact O-N 3.11Å
758	M	54.9	Low	54.5	Low	133 Å²	133	130.5 Å²	130.5	66%	0.655	66%	0.656	S	S	*	*	H	α-helix	trans	-65.9	-38.8	172.7	-73	-129.5	-83.2	0	0	112.6	S754 P755 L761 R762	S754-M758 PolarHBondContact O-N 3.27Å; P755-M758 PolarHBondContact O-N 3.01Å; M758-L761 PolarHBondContact O-N 2.84Å; M758-R762 PolarHBondContact O-N 3.14Å
759	R	61.5	Low	56.3	Low	186 Å²	186	130.1 Å²	130.1	70%	0.702	65%	0.645	S	S	*	*	H	α-helix	trans	-62.9	-43.9	175.2	-167.4	175.4	-178.3	-177.1	0.1	112	P755 Q756 R762 I763	P755-R759 PolarHBondContact O-N 2.95Å; Q756-R759 PolarHBondContact O-N 2.89Å; R759-R762 PolarHBondContact O-N 3.49Å; R759-I763 HydrophobicContact CG-CD1 4.14Å; R759-I763 WeakPolarHBondContact O-CG1 3.18Å; R759-I763 PolarHBondContact O-N 2.8Å
760	M	58.6	Low	57.6	Low	138 Å²	138	133.7 Å²	133.7	68%	0.68	64%	0.642	S	S	*	*	H	α-helix	trans	-60.5	-44.8	175.2	-76.5	-74.7	-88.2	0	0	112.4	Q756 R757 R762 I763 A764	Q756-M760 WeakPolarHBondContact O-CG 3.39Å; Q756-M760 PolarHBondContact O-N 2.91Å; R757-M760 PolarHBondContact O-N 3.03Å; M760-R762 VanDerWaalsContact C-N 3.34Å; M760-R762 PolarHBondContact O-N 3.29Å; M760-I763 PolarHBondContact O-N 2.84Å; M760-A764 WeakPolarHBondContact O-CB 3.42Å; M760-A764 PolarHBondContact O-N 2.85Å
761	L	66	Low	58.9	Low	118 Å²	118	133.5 Å²	133.5	62%	0.618	64%	0.636	S	S	*	*	H	α-helix	trans	-63.7	-37.5	176.5	-71.3	167.4	0	0	0	112.5	R757 M758 R765	R757-L761 WeakPolarHBondContact O-CG 3.24Å; R757-L761 PolarHBondContact O-N 2.99Å; R757-L761 VanDerWaalsContact O-N 3.11Å; M758-L761 PolarHBondContact O-N 2.84Å; L761-R765 WeakPolarHBondContact O-CB 3.33Å; L761-R765 PolarHBondContact O-N 3.26Å
762	R	65.9	Low	60.1	Low	194 Å²	194	133.2 Å²	133.2	73%	0.732	62%	0.621	S	S	*	*	H	α-helix	trans	-65.7	-43	175.9	-138.5	173.3	-172.6	178.9	1.6	111.6	M758 R759 M760 R765 I766	M758-R762 PolarHBondContact O-N 3.14Å; R759-R762 PolarHBondContact O-N 3.49Å; M760-R762 VanDerWaalsContact C-N 3.34Å; M760-R762 PolarHBondContact O-N 3.29Å; R762-R765 PolarHBondContact O-N 3.48Å; R762-I766 WeakPolarHBondContact O-CG1 3.28Å; R762-I766 PolarHBondContact O-N 3.07Å; R762-I766 VanDerWaalsContact O-N 3.13Å
763	I	69.7	Low	60.8	Low	71 Å²	71	135.7 Å²	135.7	36%	0.364	62%	0.619	S	S	.	*	H	α-helix	trans	-66.5	-42.3	176.6	-67.2	166.9	0	0	0	111.3	R759 M760 R765 I766 R767	R759-I763 HydrophobicContact CG-CD1 4.14Å; R759-I763 WeakPolarHBondContact O-CG1 3.18Å; R759-I763 PolarHBondContact O-N 2.8Å; M760-I763 PolarHBondContact O-N 2.84Å; I763-R765 VanDerWaalsContact C-N 3.33Å; I763-R765 PolarHBondContact O-N 2.86Å; I763-I766 PolarHBondContact O-N 3.04Å; I763-R767 PolarHBondContact O-N 2.9Å
764	A	66.1	Low	61	Low	55 Å²	55	138 Å²	138	46%	0.455	62%	0.622	S	S	.	*	H	α-helix	trans	-60.7	-41.3	175.7	0	0	0	0	0	112.1	M760 R767 R768	M760-A764 WeakPolarHBondContact O-CB 3.42Å; M760-A764 PolarHBondContact O-N 2.85Å; A764-R767 PolarHBondContact O-N 3.38Å; A764-R768 PolarHBondContact O-N 3.1Å
765	R	64.7	Low	60.7	Low	190 Å²	190	142 Å²	142	72%	0.717	64%	0.636	S	S	*	*	H	α-helix	trans	-62.8	-41.4	175.5	-167.4	174.4	-177.1	176.3	0.1	112.2	L761 R762 I763 R768 L769	L761-R765 WeakPolarHBondContact O-CB 3.33Å; L761-R765 PolarHBondContact O-N 3.26Å; R762-R765 PolarHBondContact O-N 3.48Å; I763-R765 VanDerWaalsContact C-N 3.33Å; I763-R765 PolarHBondContact O-N 2.86Å; R765-R768 PolarHBondContact O-N 2.59Å; R765-L769 HydrophobicContact CG-CD1 4.47Å; R765-L769 WeakPolarHBondContact O-CG 3.42Å; R765-L769 PolarHBondContact O-N 3.19Å; R765-L769 VanDerWaalsContact O-N 3.14Å
766	I	69.1	Low	60.5	Low	101 Å²	101	147 Å²	147	52%	0.518	64%	0.641	S	S	.	*	H	α-helix	trans	-67.4	-41.8	177.1	-67.8	165.6	0	0	0	111.5	R762 I763 R768 L769 R770	R762-I766 WeakPolarHBondContact O-CG1 3.28Å; R762-I766 PolarHBondContact O-N 3.07Å; R762-I766 VanDerWaalsContact O-N 3.13Å; I763-I766 PolarHBondContact O-N 3.04Å; I766-R768 PolarHBondContact O-N 3.23Å; I766-L769 PolarHBondContact O-N 2.78Å; I766-R770 PolarHBondContact O-N 3.19Å
767	R	65.6	Low	60.1	Low	181 Å²	181	146.4 Å²	146.4	68%	0.683	64%	0.642	S	S	*	*	H	α-helix	trans	-61.5	-42.3	175.4	-74.5	-178.2	175.3	-177.5	-2.1	112.1	I763 A764 L769 R770 Q771	I763-R767 PolarHBondContact O-N 2.9Å; A764-R767 PolarHBondContact O-N 3.38Å; R767-L769 PolarHBondContact O-N 3.4Å; R767-R770 PolarHBondContact O-N 3.31Å; R767-Q771 PolarHBondContact O-N 2.75Å
768	R	63.8	Low	59.8	Low	180 Å²	180	148.9 Å²	148.9	68%	0.679	65%	0.651	S	S	*	*	H	α-helix	trans	-63.4	-39.9	177.3	-158.4	175.8	-169.3	-175.7	2.7	112.5	A764 R765 I766 Q771 Q772	A764-R768 PolarHBondContact O-N 3.1Å; R765-R768 PolarHBondContact O-N 2.59Å; I766-R768 PolarHBondContact O-N 3.23Å; R768-Q771 PolarHBondContact O-N 2.73Å; R768-Q772 PolarHBondContact O-N 3.21Å; R768-Q772 VanDerWaalsContact O-N 3.13Å
769	L	66.5	Low	59.2	Low	100 Å²	100	149.8 Å²	149.8	52%	0.524	66%	0.658	S	S	.	*	H	α-helix	trans	-67.8	-38.1	174.9	-72.4	166.5	0	0	0	112.6	R765 I766 R767 Q772 R773	R765-L769 HydrophobicContact CG-CD1 4.47Å; R765-L769 WeakPolarHBondContact O-CG 3.42Å; R765-L769 PolarHBondContact O-N 3.19Å; R765-L769 VanDerWaalsContact O-N 3.14Å; I766-L769 PolarHBondContact O-N 2.78Å; R767-L769 PolarHBondContact O-N 3.4Å; L769-Q772 PolarHBondContact O-N 3.11Å; L769-R773 PolarHBondContact O-N 2.83Å; L769-R773 VanDerWaalsContact O-N 3.09Å
770	R	60.3	Low	58.4	Low	186 Å²	186	145.8 Å²	145.8	70%	0.702	66%	0.658	S	S	*	*	H	α-helix	trans	-63.7	-41.6	172.9	-88.9	-172.4	170.6	-175.1	-2.8	112.4	I766 R767 R773 L774	I766-R770 PolarHBondContact O-N 3.19Å; R767-R770 PolarHBondContact O-N 3.31Å; R770-R773 PolarHBondContact O-N 3.33Å; R770-L774 PolarHBondContact O-N 2.8Å
771	Q	59.1	Low	57.5	Low	136 Å²	136	147.2 Å²	147.2	64%	0.636	67%	0.668	S	S	*	*	H	α-helix	trans	-61.9	-41.6	174.4	-88.2	-179.5	-37.4	0	0	112.7	R767 R768 R773 L774 M775	R767-Q771 PolarHBondContact O-N 2.75Å; R768-Q771 PolarHBondContact O-N 2.73Å; Q771-R773 VanDerWaalsContact C-N 3.34Å; Q771-R773 PolarHBondContact O-N 3.37Å; Q771-L774 PolarHBondContact O-N 2.84Å; Q771-M775 PolarHBondContact O-N 3.15Å
772	Q	63.3	Low	56	Low	116 Å²	116	148.1 Å²	148.1	54%	0.542	68%	0.679	S	S	.	*	H	α-helix	trans	-65.1	-34.8	176.4	-74	178.1	-30.5	0	0	112.9	R768 L769 R776	R768-Q772 PolarHBondContact O-N 3.21Å; R768-Q772 VanDerWaalsContact O-N 3.13Å; L769-Q772 PolarHBondContact O-N 3.11Å; Q772-R776 PolarHBondContact O-N 3.34Å
773	R	53.9	Low	54.6	Low	200 Å²	200	145.6 Å²	145.6	76%	0.755	69%	0.685	S	S	*	*	H	α-helix	trans	-68.1	-41.3	173.9	-124.1	179.1	-177.8	-175.2	0.2	112.1	L769 R770 Q771 R776 L777	L769-R773 PolarHBondContact O-N 2.83Å; L769-R773 VanDerWaalsContact O-N 3.09Å; R770-R773 PolarHBondContact O-N 3.33Å; Q771-R773 VanDerWaalsContact C-N 3.34Å; Q771-R773 PolarHBondContact O-N 3.37Å; R773-R776 PolarHBondContact O-N 2.7Å; R773-L777 PolarHBondContact O-N 3.46Å
774	L	50.8	Low	52.8	Low	115 Å²	115	148.5 Å²	148.5	60%	0.602	71%	0.706	S	S	*	*	H	α-helix	trans	-68.2	-32.8	177.4	-78.8	162.7	0	0	0	113.5	R770 Q771	R770-L774 PolarHBondContact O-N 2.8Å; Q771-L774 PolarHBondContact O-N 2.84Å
775	M	52.8	Low	51.6	Low	142 Å²	142	154 Å²	154	70%	0.7	72%	0.724	S	S	*	*	H	α-helix	trans	-68.7	-37.4	172	-81.6	-176.7	164.1	0	0	112.7	Q771 L777 R778	Q771-M775 PolarHBondContact O-N 3.15Å; M775-L777 VanDerWaalsContact C-N 3.31Å; M775-L777 PolarHBondContact O-N 2.7Å; M775-R778 PolarHBondContact O-N 3.45Å
776	R	51.3	Low	50.1	Low	215 Å²	215	150.8 Å²	150.8	81%	0.811	73%	0.728	S	S	*	*	H	α-helix	trans	-65.7	-31.9	175.8	-81.7	-173.1	170.6	-172.4	-3.5	113.3	Q772 R773 R778	Q772-R776 PolarHBondContact O-N 3.34Å; R773-R776 PolarHBondContact O-N 2.7Å; R776-R778 VanDerWaalsContact C-N 3.29Å; R776-R778 PolarHBondContact O-N 3.17Å
777	L	46.9	Very low	48.3	Very low	141 Å²	141	152.1 Å²	152.1	74%	0.738	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-11.2	176.1	-76.5	161	0	0	0	114	R773 M775	R773-L777 PolarHBondContact O-N 3.46Å; M775-L777 VanDerWaalsContact C-N 3.31Å; M775-L777 PolarHBondContact O-N 2.7Å
778	R	44.1	Very low	46.7	Very low	229 Å²	229	149.9 Å²	149.9	86%	0.864	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	4.9	177.4	-80.8	-172.1	170.2	-170.4	-3.9	114.7	M775 R776	M775-R778 PolarHBondContact O-N 3.45Å; R776-R778 VanDerWaalsContact C-N 3.29Å; R776-R778 PolarHBondContact O-N 3.17Å
779	L	43.6	Very low	45.1	Very low	151 Å²	151	147.3 Å²	147.3	79%	0.791	75%	0.752	S	S	*	*	S	Bend	trans	-113.7	13.9	-174.7	-88	162	0	0	0	114.3
780	S	44	Very low	43.3	Very low	102 Å²	102	148.6 Å²	148.6	71%	0.713	77%	0.765	S	S	*	*			trans	-129.8	51.4	-179.9	-171.5	0	0	0	0	112.5
781	L	39	Very low	41.7	Very low	169 Å²	169	145.9 Å²	145.9	89%	0.885	77%	0.769	S	S	*	*			trans	-136.2	94.2	163.8	-83.4	171.5	0	0	0	108.4
782	T	35	Very low	40.2	Very low	137 Å²	137	145.1 Å²	145.1	84%	0.84	77%	0.774	S	S	*	*			trans	-131.1	103.9	164.3	27.8	0	0	0	0	108
783	T	36.5	Very low	38.6	Very low	140 Å²	140	146.1 Å²	146.1	86%	0.859	79%	0.788	S	S	*	*			trans	-69.7	132.5	177.2	-8	0	0	0	0	110.2
784	T	32.5	Very low	37.4	Very low	132 Å²	132	143.7 Å²	143.7	81%	0.81	80%	0.795	S	S	*	*			trans	-131.4	126.7	164.6	47.6	0	0	0	0	109.1
785	M	40.8	Very low	36.3	Very low	170 Å²	170	142.7 Å²	142.7	84%	0.837	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.5	145.6	-178.1	-64.6	-76.5	-73.3	0	0	111.6
786	P	33.7	Very low	35.3	Very low	124 Å²	124	140.5 Å²	140.5	81%	0.805	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-79.2	138.6	166.9	31.9	-31.4	0	0	0	111.3
787	T	30.8	Very low	34.6	Very low	129 Å²	129	135.7 Å²	135.7	79%	0.791	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-85.5	137.2	-178.2	-46.6	0	0	0	0	111.9	T789	T787-T789 PolarHBondContact O-N 3.34Å
788	T	31.4	Very low	33.7	Very low	133 Å²	133	136 Å²	136	82%	0.816	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-63.1	128.5	171.9	-27.6	0	0	0	0	111.4
789	T	30.6	Very low	33	Very low	127 Å²	127	131.4 Å²	131.4	78%	0.779	81%	0.81	S	S	*	*			trans	-139	114	166.7	-40.3	0	0	0	0	110.7	T787	T787-T789 PolarHBondContact O-N 3.34Å
790	T	28.3	Very low	32.2	Very low	127 Å²	127	129.2 Å²	129.2	78%	0.779	81%	0.808	S	S	*	*			trans	-99.1	128.4	171.3	28	0	0	0	0	110.4
791	T	27.8	Very low	31.4	Very low	128 Å²	128	134.7 Å²	134.7	79%	0.785	81%	0.813	S	S	*	*			trans	-161.7	110.6	148.7	13.9	0	0	0	0	113.1
792	T	27.5	Very low	30.8	Very low	121 Å²	121	135.3 Å²	135.3	74%	0.742	81%	0.805	S	S	*	*			trans	26.7	124	138.3	48.5	0	0	0	0	122.5
793	T	28.8	Very low	30.4	Very low	137 Å²	137	134.7 Å²	134.7	84%	0.84	80%	0.796	S	S	*	*			trans	-22.5	136.6	143.7	9.2	0	0	0	0	118.7
794	T	28.3	Very low	30	Very low	148 Å²	148	131.4 Å²	131.4	91%	0.908	78%	0.779	S	S	*	*			trans	-143.4	147.3	146	32.8	0	0	0	0	109.1
795	A	29.1	Very low	29.7	Very low	95 Å²	95	136.4 Å²	136.4	79%	0.785	78%	0.783	S	S	*	*			trans	-104.7	155.9	-165.7	0	0	0	0	0	114.5
796	A	30.4	Very low	29	Very low	96 Å²	96	131.6 Å²	131.6	79%	0.793	78%	0.777	S	S	*	*			trans	57.6	159.8	149.2	0	0	0	0	0	118.3
797	P	38	Very low	28.7	Very low	114 Å²	114	134 Å²	134	74%	0.74	78%	0.782	S	S	*	*			cis	-138.2	167	15.4	42.1	-25	0	0	0	116.9
798	T	28.5	Very low	28.4	Very low	148 Å²	148	131.6 Å²	131.6	91%	0.908	78%	0.783	S	S	*	*			trans	-142.4	144.1	141.4	30.1	0	0	0	0	110.7
799	T	27.7	Very low	28.1	Very low	131 Å²	131	134.8 Å²	134.8	80%	0.804	79%	0.789	S	S	*	*			trans	-87.9	142.3	-165.9	46	0	0	0	0	114.3
800	S	27.6	Very low	27.9	Very low	106 Å²	106	133.2 Å²	133.2	74%	0.741	79%	0.788	S	S	*	*			trans	-103.9	142.2	157.8	57.6	0	0	0	0	111
801	W	26.2	Very low	27.7	Very low	217 Å²	217	136.1 Å²	136.1	82%	0.822	79%	0.793	S	S	*	*			trans	-137.9	111.4	157.6	-88.6	72.8	0	0	0	106.8
802	Y	27	Very low	27.6	Very low	182 Å²	182	135.8 Å²	135.8	71%	0.714	80%	0.796	S	S	*	*				77.2	141.9	106.2	-90	-121.8	0	0	0	113
803	D	27.4	Very low	27.6	Very low	123 Å²	123	136.4 Å²	136.4	66%	0.658	80%	0.799	S	S	*	*			cis	-173.3	169.1	3.4	-124	13.1	0	0	0	109.1
804	S	27	Very low	27.5	Very low	72 Å²	72	135.6 Å²	135.6	50%	0.503	79%	0.794	S	S	.	*			cis	-179	140.2	-18.9	-120.9	0	0	0	0	114
805	W	27.6	Very low	27.8	Very low	237 Å²	237	134 Å²	134	90%	0.898	79%	0.787	S	S	*	*			trans	55.7	160.6	162.1	-57.1	80.4	0	0	0	119.5
806	G	25.6	Very low	27.6	Very low	68 Å²	68	135.2 Å²	135.2	70%	0.701	78%	0.784	S	S	*	*			cis	-167.9	-166.5	7.3	0	0	0	0	0	115.6
807	L	27.2	Very low	27.5	Very low	175 Å²	175	138 Å²	138	92%	0.916	79%	0.785	S	S	*	*			trans	-78.2	155.4	-167.9	-68	154.1	0	0	0	115.1
808	G	24.7	Very low	26.9	Very low	79 Å²	79	137.9 Å²	137.9	81%	0.814	78%	0.778	S	S	*	*			trans	-157.1	121.7	163.5	0	0	0	0	0	111.1
809	E	25.2	Very low	26.9	Very low	200 Å²	200	141.2 Å²	141.2	94%	0.935	78%	0.776	S	S	*	*			trans	-83.8	148.1	-176.8	-59.3	165.7	125.6	0	0	112.3
810	A	25.3	Very low	26.8	Very low	93 Å²	93	141.3 Å²	141.3	77%	0.769	77%	0.771	S	S	*	*			trans	-169	105	142.1	0	0	0	0	0	112.4
811	E	24.6	Very low	26.8	Very low	189 Å²	189	147.3 Å²	147.3	88%	0.883	78%	0.779	S	S	*	*			trans	45.2	104.7	140.5	-58.1	-176.4	158.8	0	0	120.5
812	S	25.4	Very low	26.9	Very low	121 Å²	121	144.2 Å²	144.2	85%	0.846	77%	0.774	S	S	*	*			trans	-104.5	139.9	150	57.4	0	0	0	0	110.2
813	V	27.2	Very low	27	Very low	133 Å²	133	146.3 Å²	146.3	81%	0.806	78%	0.782	S	S	*	*			trans	-114.7	123.9	178.4	178.2	0	0	0	0	109.4
814	T	28.4	Very low	27	Very low	120 Å²	120	148.8 Å²	148.8	74%	0.736	79%	0.787	S	S	*	*			trans	-117.7	149.8	167.7	51.5	0	0	0	0	110.6
815	P	33.4	Very low	27.3	Very low	116 Å²	116	153.1 Å²	153.1	75%	0.753	80%	0.803	S	S	*	*				-129.5	126.3	127.7	31	-19.2	0	0	0	110.1
816	V	26.3	Very low	27.7	Very low	120 Å²	120	149 Å²	149	73%	0.727	80%	0.798	S	S	*	*				83.6	109	63.2	169.6	0	0	0	0	113
817	L	27.2	Very low	28	Very low	153 Å²	153	153.2 Å²	153.2	80%	0.801	81%	0.805	S	S	*	*			trans	149.2	95.7	148.8	-82.7	163	0	0	0	107.8
818	D	25.1	Very low	28.3	Very low	113 Å²	113	159.5 Å²	159.5	60%	0.604	82%	0.819	S	S	*	*				78.5	110.4	64	-167	19.2	0	0	0	113.1
819	Y	28.1	Very low	28.5	Very low	218 Å²	218	163.6 Å²	163.6	86%	0.855	82%	0.819	S	S	*	*				-172.9	124	126.9	-101.5	-67.8	0	0	0	111.2
820	N	26	Very low	28.6	Very low	133 Å²	133	161.6 Å²	161.6	71%	0.711	81%	0.813	S	S	*	*			trans	-68.6	152	173.5	-71.7	-44.6	0	0	0	112.8
821	Y	28.6	Very low	28.8	Very low	232 Å²	232	165.4 Å²	165.4	91%	0.91	82%	0.815	S	S	*	*			trans	-147.7	119.8	132.4	-108.8	-77.8	0	0	0	110.9
822	E	27.2	Very low	29.1	Very low	151 Å²	151	164.1 Å²	164.1	71%	0.706	81%	0.811	S	S	*	*			trans	-77.8	144.2	171.8	-62	-179.6	136.3	0	0	110.5
823	Y	29.3	Very low	29.3	Very low	227 Å²	227	166.8 Å²	166.8	89%	0.89	81%	0.809	S	S	*	*			trans	-116.8	121.2	153.8	-105.2	-90.9	0	0	0	108.8
824	K	28.3	Very low	29.4	Very low	175 Å²	175	169 Å²	169	76%	0.761	81%	0.809	S	S	*	*			trans	-88.2	134.4	170.7	-71.7	-178.9	178.4	177.1	0	109
825	I	31.8	Very low	29.5	Very low	163 Å²	163	172.5 Å²	172.5	84%	0.836	81%	0.814	S	S	*	*			trans	-99.9	111.3	167.5	-65.1	168.5	0	0	0	106.5
826	D	37.2	Very low	29.2	Very low	151 Å²	151	176.8 Å²	176.8	81%	0.807	82%	0.819	S	S	*	*			trans	-158.7	147.1	152.9	-88.8	-39.1	0	0	0	106.1
827	D	31.3	Very low	29.5	Very low	156 Å²	156	181.6 Å²	181.6	83%	0.834	83%	0.827	S	S	*	*			trans	66.2	83.2	-173.7	-60.4	-21.4	0	0	0	117.1
828	Y	33.5	Very low	29.7	Very low	307 Å²	307	184.2 Å²	184.2	100%	1.204	83%	0.829	S	S	*	*				-167.2	0	116.7	-107.8	-67.8	0	0	0	113.1

Retrieved 828 of 828 residues in 597 ms (Link to these results)

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