A0A3Q0KLS8_SCHMA Loading...

DNA-directed RNA polymerase subunit beta

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A3Q0KLS8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,196 aa.

						>A0A3Q0KLS8_SCHMA|A0A3Q0KLS8
MSDPFYVEGDLEDFEEDDPERQFYGDEQSNEDDEITPDMWQEACWIVISSYFDEKGLVRQQLDSFDEFIQTSIQKIVEDSPIIELQAEAQHSGGILETPVQYRLKFEQIYLSKATHWEKDGSSVPMTPNDARLRNLTYAAPLYVDVMKKIIRDEIEEEKPLEKKFIGKIPIMLRSTYCLLSVMSDRDLAELNECPLDPGGYFIINGSEKVLIAQEKMATNTVYVFKQKDSKYAYKTEIRSCLEHSSRPASTLWINMMARGGKDGSKRATIGQRIVAILPYIKQEIPVLIVFRALGFVADRDILEHIIYDFDDTEMREMIKPSLDDAFVIQEQKVALNFIGSRGARPGVTKEKRIKYAKEILQKETLPHVGVSDFCETRKAYFLGYMVHRLLLAALKRRDVDDRDHYGNKRLDLAGPLLAFLFRGLFRNLTKEIRLYAQKFIDKGKDFNLELAIRSQIITDGLKYSLATGNWGDQKKANQARPGVSQVLNRLTFASTLSHLRRLNSPIGRDGKLARPRQLHNTLWGMICPAETPEGHAVGLVKNLALMAYISVGSQPSPILEFLEEWSMENLEEIAPSAIGKTCKIFVNGCWVGIHSSPDHLMGTLRKLRRQVDVIVSEVSMIRDYRDQEIRIYTDAGRICRPLVIVEKGKLLLKRSHIELLKDKAYNRYSWQDLVLSGVVEYIDTLEEETVMIAMGPAEMQAAVNYCKTHTHCEIHPSMILGICASIIPFPDHNQSPRNTYQSAMGKQAMGVYISNFHTRMDTLANVLYYPQKPLVATRSMEYLRFRELPAGINAIVAIATYTGYNQEDSVIINESAIQRGFFRSEFYRTYKDQETRHGMDLEEVFEKPNPQNCQGMRHAIYDKLDDDGLIAPGTRVSGDDVLIGKTITLPENEDEMEGGQRRYTKRDASVFMRRSEYGIVDQVMVTWNNEGNKFCKVRVRTTKAPQVGDKFASRHGQKGTCGIRYRQEDMPFTCEGITPDIIINPHAIPSRMTIGHLIECLQGKVSANKGEIGDATPFNDAVNVRKISLLLQEYGYQHTGNEIMYNGFTGRKLNSQIFLGPTYYQRLKHMVDDKIHSRSRGPVQILNRQPMEGRSRDGGLRFGEMERDCQIAHGAAQFLRERLFFASDPYQVYVCNLCGLIAIAHQRNKTYECRSCKNTTQISLVKLPYACKLLFQELMSMSIAPRMMINSPAAY
					

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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	32.5	Very low	38.1	Very low	243 Å²	243	161.5 Å²	161.5	100%	1.197	86%	0.862	S	S	*	*				0	127.9	0	-95.7	176.5	171.6	0	0	107.3
2	S	34.7	Very low	38	Very low	117 Å²	117	163.5 Å²	163.5	82%	0.818	86%	0.862	S	S	*	*			trans	69.9	72.6	176.4	64.3	0	0	0	0	119.9
3	D	36.2	Very low	37.7	Very low	165 Å²	165	163 Å²	163	88%	0.882	86%	0.86	S	S	*	*				58.6	149.3	117.5	-78.2	-8.3	0	0	0	127.1
4	P	50.9	Low	37.6	Very low	94 Å²	94	166.1 Å²	166.1	61%	0.61	86%	0.863	S	S	*	*			trans	-117.2	172.5	-160.9	41	-24.4	0	0	0	114.1
5	F	43.1	Very low	37.5	Very low	212 Å²	212	167.7 Å²	167.7	93%	0.93	87%	0.865	S	S	*	*			trans	-146.8	118.8	158.6	-89.7	-79.6	0	0	0	112.4
6	Y	35.1	Very low	37.2	Very low	213 Å²	213	169.7 Å²	169.7	84%	0.835	87%	0.869	S	S	*	*			trans	-86.1	144.1	157.9	-92.4	-95	0	0	0	109.2
7	V	43	Very low	37.1	Very low	138 Å²	138	169.4 Å²	169.4	84%	0.836	87%	0.87	S	S	*	*			trans	-144.3	119.2	149.9	-179.6	0	0	0	0	108
8	E	34.1	Very low	37.2	Very low	184 Å²	184	166 Å²	166	86%	0.86	85%	0.854	S	S	*	*			trans	-78.2	148.1	165	-72.5	174.3	148	0	0	110.2
9	G	38	Very low	37.2	Very low	67 Å²	67	164 Å²	164	69%	0.691	85%	0.853	S	S	*	*			trans	-175.1	94	173	0	0	0	0	0	113.5
10	D	36.7	Very low	37.2	Very low	170 Å²	170	164.2 Å²	164.2	91%	0.909	85%	0.849	S	S	*	*			trans	60.8	122.1	144.3	-56.1	-29.6	0	0	0	122.8
11	L	34.9	Very low	37	Very low	174 Å²	174	167 Å²	167	91%	0.911	85%	0.849	S	S	*	*			trans	-73	125.1	167.2	-72.2	143.1	0	0	0	110.8
12	E	36.7	Very low	36.9	Very low	185 Å²	185	164.5 Å²	164.5	86%	0.864	83%	0.834	S	S	*	*			trans	-143.8	139.7	149.5	-74.9	-167.2	161.2	0	0	110.6
13	D	34	Very low	36.9	Very low	157 Å²	157	169 Å²	169	84%	0.84	84%	0.839	S	S	*	*			trans	-56.5	127.2	-168.5	-58.7	-58.6	0	0	0	114.9
14	F	36	Very low	36.8	Very low	206 Å²	206	171.5 Å²	171.5	90%	0.904	84%	0.838	S	S	*	*			trans	-137.5	126.6	155.5	-83.1	-81.3	0	0	0	110.7
15	E	35.9	Very low	35.8	Very low	190 Å²	190	170 Å²	170	89%	0.888	84%	0.84	S	S	*	*			trans	-55.8	147.6	-172.1	-64.3	170.3	141.9	0	0	113.4	D17	E15-D17 PolarHBondContact O-N 2.89Å
16	E	34	Very low	35.3	Very low	200 Å²	200	165.9 Å²	165.9	94%	0.935	83%	0.827	S	S	*	*			trans	-59.1	95	178.8	-65.9	174.5	150.6	0	0	111.8
17	D	35.2	Very low	35.4	Very low	164 Å²	164	163.8 Å²	163.8	88%	0.877	83%	0.825	S	S	*	*			trans	-94.2	111.5	162.7	-96.2	-28.4	0	0	0	110.3	E15	E15-D17 PolarHBondContact O-N 2.89Å
18	D	38.1	Very low	35.1	Very low	109 Å²	109	166.5 Å²	166.5	58%	0.583	83%	0.829	S	S	*	*			trans	-49.6	118.7	176.5	-170.9	0.5	0	0	0	113.7	E20	D18-E20 PolarHBondContact O-N 3.33Å; D18-E20 WeakPolarHBondContact OD1-CB 3.45Å; D18-E20 PolarHBondContact OD1-N 3.49Å
19	P	36.7	Very low	35.4	Very low	128 Å²	128	161.1 Å²	161.1	83%	0.831	81%	0.811	S	S	*	*	G	3₁₀ helix	trans	-77.6	6.8	178.1	30.8	-32.4	0	0	0	114.2	R21	P19-R21 PolarHBondContact O-N 3.48Å
20	E	37.4	Very low	36	Very low	168 Å²	168	163.7 Å²	163.7	79%	0.785	81%	0.809	S	S	*	*	G	3₁₀ helix	trans	-85	9.8	-176.7	-68.9	-160.4	152.8	0	0	116.1	D18	D18-E20 PolarHBondContact O-N 3.33Å; D18-E20 WeakPolarHBondContact OD1-CB 3.45Å; D18-E20 PolarHBondContact OD1-N 3.49Å
21	R	33.3	Very low	36.7	Very low	223 Å²	223	162.6 Å²	162.6	84%	0.842	80%	0.799	S	S	*	*	G	3₁₀ helix	trans	-126.2	20.8	-169.5	-116.3	179.6	-175.5	179.6	3.6	119.8	P19	P19-R21 PolarHBondContact O-N 3.48Å
22	Q	30.9	Very low	37.8	Very low	190 Å²	190	161.3 Å²	161.3	89%	0.888	79%	0.793	S	S	*	*	S	Bend	trans	-120.7	10.3	178.8	-89.1	-175.3	0.4	0	0	118
23	F	34.1	Very low	39.5	Very low	211 Å²	211	155 Å²	155	93%	0.925	77%	0.765	S	S	*	*			trans	-103.5	12.5	177.9	-99	-82.2	0	0	0	116.4
24	Y	34.7	Very low	41.6	Very low	219 Å²	219	150.4 Å²	150.4	86%	0.859	74%	0.739	S	S	*	*			trans	-105.5	77.1	171.9	-72.1	-80.4	0	0	0	110.3
25	G	29	Very low	43.6	Very low	62 Å²	62	141 Å²	141	64%	0.639	70%	0.698	S	S	*	*	S	Bend	trans	-174.3	69	179.7	0	0	0	0	0	112.1
26	D	33.8	Very low	45.6	Very low	126 Å²	126	135.2 Å²	135.2	67%	0.674	68%	0.675	S	S	*	*			trans	151.9	67.1	153.5	-84.6	-10.1	0	0	0	110.5	Q28	D26-Q28 PolarHBondContact O-N 3.27Å
27	E	36	Very low	47.5	Very low	168 Å²	168	127.8 Å²	127.8	79%	0.785	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-3.2	172	-74.7	-172.2	154.3	0	0	113.1
28	Q	37.5	Very low	49.4	Very low	195 Å²	195	127.1 Å²	127.1	91%	0.911	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-5.5	-176.4	-81.3	173.5	-14.2	0	0	115.4	D26	D26-Q28 PolarHBondContact O-N 3.27Å
29	S	41.5	Very low	51.6	Low	71 Å²	71	125.7 Å²	125.7	50%	0.497	63%	0.632	S	S	.	*	S	Bend	trans	-101.8	-8.8	-179.6	59.3	0	0	0	0	115.1
30	N	49	Very low	54	Low	122 Å²	122	120.7 Å²	120.7	65%	0.652	60%	0.596	S	S	*	*	S	Bend	trans	-91.7	-7.1	-173	-81.3	-39.3	0	0	0	115.5	D32	N30-D32 VanDerWaalsContact C-N 3.35Å
31	E	51.2	Low	56.2	Low	147 Å²	147	115.5 Å²	115.5	69%	0.687	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-74.3	-24.9	-179.4	-67.3	-167.9	154.1	0	0	112.9	D33	E31-D33 VanDerWaalsContact C-N 3.34Å; E31-D33 PolarHBondContact O-N 2.7Å
32	D	59	Low	58.8	Low	146 Å²	146	109.7 Å²	109.7	78%	0.781	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-75.9	-15.2	-176.6	-76.2	-20.1	0	0	0	114.5	N30	N30-D32 VanDerWaalsContact C-N 3.35Å
33	D	73.1	Confident	61.6	Low	54 Å²	54	101 Å²	101	29%	0.289	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-96.1	3.8	-178.5	-157.3	20.5	0	0	0	113.3	E31 R655 S656	E31-D33 VanDerWaalsContact C-N 3.34Å; E31-D33 PolarHBondContact O-N 2.7Å; D33-R655 PolarHBondContact O-N 3.43Å; D33-R655 VanDerWaalsContact OD1-CB 3.32Å; D33-R655 WeakPolarHBondContact OD1-CB 3.37Å; D33-R655 PolarHBondContact OD1-N 2.78Å; D33-S656 PolarHBondContact OD1-N 2.91Å; D33-S656 WeakPolarHBondContact OD2-CB 3.45Å; D33-S656 PolarHBondContact OD2-OG 3.37Å
34	E	77	Confident	64.4	Low	60 Å²	60	91 Å²	91	28%	0.28	47%	0.471	S	S	.	.	S	Bend	trans	-78.8	134.9	178.5	-163.5	165	178	0	0	111.9	T36 K650	E34-T36 PolarHBondContact O-N 3.28Å; E34-K650 IonicContact OE2-NZ 3.54Å; E34-K650 PolarHBondContact OE2-NZ 3.3Å
35	I	77.8	Confident	67.2	Low	9 Å²	9	81.1 Å²	81.1	5%	0.046	43%	0.432	C	S	.	.			trans	-75.4	116	179.1	-61.1	178.2	0	0	0	109.2	M39 W40 L653 R655 I658	I35-M39 HydrophobicContact CG2-CB 4.17Å; I35-W40 HydrophobicContact CG2-CB 4.45Å; I35-W40 HydrophobicContact CG2-CE3 4.18Å; I35-L653 HydrophobicContact CD1-CB 4.37Å; I35-L653 HydrophobicContact CD1-CD2 4.04Å; I35-L653 HydrophobicContact CD1-CG 3.79Å; I35-L653 WeakPolarHBondContact CD1-O 3.42Å; I35-R655 HydrophobicContact CG1-CB 4.49Å; I35-I658 HydrophobicContact CD1-CG1 3.98Å
36	T	78.9	Confident	70.2	Confident	67 Å²	67	80.1 Å²	80.1	41%	0.411	41%	0.412	S	S	.	.			trans	-70	152.6	174.2	61.7	0	0	0	0	111.4	E34 D38 M39 W40	E34-T36 PolarHBondContact O-N 3.28Å; T36-D38 PolarHBondContact O-N 3.27Å; T36-M39 PolarHBondContact O-N 3.42Å; T36-M39 WeakPolarHBondContact OG1-CB 3.4Å; T36-M39 VanDerWaalsContact OG1-CG 3.27Å; T36-M39 WeakPolarHBondContact OG1-CG 3.48Å; T36-M39 PolarHBondContact OG1-N 3.23Å; T36-W40 PolarHBondContact O-N 3.04Å
37	P	74.1	Confident	73.1	Confident	45 Å²	45	74.1 Å²	74.1	29%	0.292	38%	0.38	S	S	.	.	H	α-helix	trans	-54	-35.1	176.6	-27.7	35.4	0	0	0	113.8	W40 A698	P37-W40 VanDerWaalsContact O-CB 3.3Å; P37-W40 WeakPolarHBondContact O-CB 3.29Å; P37-W40 PolarHBondContact O-N 3.09Å; P37-A698 HydrophobicContact CB-CB 4.25Å
38	D	74.9	Confident	75.8	Confident	149 Å²	149	66.1 Å²	66.1	80%	0.797	34%	0.342	S	S	*	.	H	α-helix	trans	-69.3	-37.3	178.2	-65.8	-21.7	0	0	0	112.1	T36 W40	T36-D38 PolarHBondContact O-N 3.27Å; D38-W40 VanDerWaalsContact C-N 3.32Å
39	M	83.6	Confident	78.5	Confident	80 Å²	80	58.1 Å²	58.1	39%	0.394	31%	0.308	S	S	.	.	H	α-helix	trans	-73.7	-24.6	176.1	-71.8	179.9	67.9	0	0	112.7	I35 T36 Q41 E42 A43 R655	I35-M39 HydrophobicContact CG2-CB 4.17Å; T36-M39 PolarHBondContact O-N 3.42Å; T36-M39 WeakPolarHBondContact OG1-CB 3.4Å; T36-M39 VanDerWaalsContact OG1-CG 3.27Å; T36-M39 WeakPolarHBondContact OG1-CG 3.48Å; T36-M39 PolarHBondContact OG1-N 3.23Å; M39-Q41 PolarHBondContact O-N 3.1Å; M39-E42 PolarHBondContact O-N 2.87Å; M39-A43 WeakPolarHBondContact O-CB 3.44Å; M39-A43 PolarHBondContact O-N 3.04Å; M39-R655 HydrophobicContact CE-CG 4.24Å
40	W	87.7	Confident	80.9	Confident	23 Å²	23	55.2 Å²	55.2	9%	0.087	29%	0.287	C	S	.	.	H	α-helix	trans	-55.9	-39.3	-179	-179	-107.6	0	0	0	112.6	I35 T36 P37 D38 E42 A43 C44 V644 L651 L653 P697 I715	I35-W40 HydrophobicContact CG2-CB 4.45Å; I35-W40 HydrophobicContact CG2-CE3 4.18Å; T36-W40 PolarHBondContact O-N 3.04Å; P37-W40 VanDerWaalsContact O-CB 3.3Å; P37-W40 WeakPolarHBondContact O-CB 3.29Å; P37-W40 PolarHBondContact O-N 3.09Å; D38-W40 VanDerWaalsContact C-N 3.32Å; W40-E42 VanDerWaalsContact C-N 3.27Å; W40-E42 PolarHBondContact O-N 3.01Å; W40-A43 PolarHBondContact O-N 3.12Å; W40-C44 HydrophobicContact CD2-CB 4.44Å; W40-C44 HydrophobicContact CZ2-CB 4.21Å; W40-C44 WeakPolarHBondContact O-CB 3.42Å; W40-C44 PolarHBondContact O-N 3.05Å; W40-C44 PolarHBondContact O-SG 3.44Å; W40-V644 HydrophobicContact CH2-CG2 4.15Å; W40-L651 HydrophobicContact CE3-CD1 3.89Å; W40-L651 HydrophobicContact CH2-CD1 4.17Å; W40-L651 HydrophobicContact CZ3-CD1 3.51Å; W40-L653 HydrophobicContact CH2-CD2 4.38Å; W40-L653 HydrophobicContact CZ3-CD2 3.9Å; W40-P697 HydrophobicContact CB-CG 4.17Å; W40-P697 VanDerWaalsContact CD1-CD 3.44Å; W40-P697 HydrophobicContact CD2-CG 3.41Å; W40-P697 VanDerWaalsContact CD2-CG 3.41Å; W40-P697 HydrophobicContact CE3-CG 3.74Å; W40-P697 HydrophobicContact CG-CG 3.58Å; W40-P697 HydrophobicContact CZ2-CG 4.31Å; W40-P697 HydrophobicContact CZ3-CG 4.29Å; W40-I715 WeakPolarHBondContact CZ2-O 3.39Å
41	Q	83.8	Confident	83	Confident	59 Å²	59	49.8 Å²	49.8	28%	0.276	26%	0.258	S	S	.	.	H	α-helix	trans	-60.9	-35.1	-176	-173.8	172.6	8.2	0	0	112.5	M39 C44 N1020	M39-Q41 PolarHBondContact O-N 3.1Å; Q41-C44 PolarHBondContact O-SG 2.66Å; Q41-C44 VanDerWaalsContact O-SG 3.35Å; Q41-N1020 PolarHBondContact NE2-ND2 3.18Å; Q41-N1020 VanDerWaalsContact NE2-ND2 3.18Å; Q41-N1020 PolarHBondContact NE2-OD1 3.41Å
42	E	87.8	Confident	85.1	Confident	100 Å²	100	43.5 Å²	43.5	47%	0.467	23%	0.228	S	C	.	.	H	α-helix	trans	-89.3	-37.7	175.2	-66.3	-56.1	146.3	0	0	112.1	M39 W40 C44 W45 I46 R779	M39-E42 PolarHBondContact O-N 2.87Å; W40-E42 VanDerWaalsContact C-N 3.27Å; W40-E42 PolarHBondContact O-N 3.01Å; E42-C44 VanDerWaalsContact C-N 3.33Å; E42-C44 PolarHBondContact O-N 3.27Å; E42-W45 PolarHBondContact O-N 3.49Å; E42-I46 PolarHBondContact O-N 3.06Å; E42-R779 VanDerWaalsContact CD-NH1 3.3Å; E42-R779 IonicContact OE1-CZ 3.35Å; E42-R779 IonicContact OE1-NH1 3.82Å; E42-R779 PolarHBondContact OE1-NH1 3.41Å; E42-R779 VanDerWaalsContact OE1-NH1 3.16Å; E42-R779 IonicContact OE1-NH2 2.88Å; E42-R779 PolarHBondContact OE1-NH2 2.93Å; E42-R779 IonicContact OE2-CZ 3.02Å; E42-R779 IonicContact OE2-NH1 3.54Å; E42-R779 PolarHBondContact OE2-NH1 3.42Å; E42-R779 IonicContact OE2-NH2 2.74Å
43	A	90.4	Very high	86.5	Confident	7 Å²	7	41.2 Å²	41.2	6%	0.058	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-41.9	-179.4	0	0	0	0	0	112.4	M39 W40 W45 I46 V47 I658	M39-A43 WeakPolarHBondContact O-CB 3.44Å; M39-A43 PolarHBondContact O-N 3.04Å; W40-A43 PolarHBondContact O-N 3.12Å; A43-W45 VanDerWaalsContact C-N 3.34Å; A43-W45 PolarHBondContact O-N 2.7Å; A43-I46 PolarHBondContact O-N 3.38Å; A43-V47 WeakPolarHBondContact O-CG2 3.4Å; A43-V47 PolarHBondContact O-N 3.21Å; A43-V47 VanDerWaalsContact O-N 3.16Å; A43-I658 HydrophobicContact CB-CD1 3.99Å; A43-I658 HydrophobicContact CB-CG1 4.05Å; A43-I658 HydrophobicContact CB-CG2 4.38Å
44	C	92.3	Very high	87.2	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-37.2	-178.8	66	0	0	0	0	112.6	W40 Q41 E42 V47 I48 I715	W40-C44 HydrophobicContact CD2-CB 4.44Å; W40-C44 HydrophobicContact CZ2-CB 4.21Å; W40-C44 WeakPolarHBondContact O-CB 3.42Å; W40-C44 PolarHBondContact O-N 3.05Å; W40-C44 PolarHBondContact O-SG 3.44Å; Q41-C44 PolarHBondContact O-SG 2.66Å; Q41-C44 VanDerWaalsContact O-SG 3.35Å; E42-C44 VanDerWaalsContact C-N 3.33Å; E42-C44 PolarHBondContact O-N 3.27Å; C44-V47 PolarHBondContact O-N 3.43Å; C44-I48 WeakPolarHBondContact O-CD1 3.4Å; C44-I48 WeakPolarHBondContact O-CG1 3.47Å; C44-I48 PolarHBondContact O-N 3.4Å; C44-I715 HydrophobicContact CB-CG2 4.2Å; C44-I715 VanDerWaalsContact CB-O 3.3Å; C44-I715 WeakPolarHBondContact CB-O 3.47Å
45	W	93.1	Very high	87.8	Confident	13 Å²	13	40.7 Å²	40.7	5%	0.049	21%	0.212	C	C	.	.	H	α-helix	trans	-72.1	-28.3	177.2	-69.5	100.2	0	0	0	113.2	E42 A43 I48 S49 H716 S718 M719 R779 Y783 T1017	E42-W45 PolarHBondContact O-N 3.49Å; A43-W45 VanDerWaalsContact C-N 3.34Å; A43-W45 PolarHBondContact O-N 2.7Å; W45-I48 HydrophobicContact CD2-CD1 4.31Å; W45-I48 HydrophobicContact CE3-CD1 4.06Å; W45-I48 HydrophobicContact CZ3-CD1 4.32Å; W45-I48 PolarHBondContact O-N 2.95Å; W45-S49 WeakPolarHBondContact O-CB 3.44Å; W45-S49 PolarHBondContact O-N 2.92Å; W45-H716 AromaticContact CE2-CD2 3.96Å; W45-H716 AromaticContact CZ2-CD2 3.84Å; W45-H716 AromaticContact CZ2-CE1 3.74Å; W45-H716 AromaticContact CZ2-CG 3.9Å; W45-H716 AromaticContact CZ2-ND1 3.81Å; W45-H716 AromaticContact CZ2-NE2 3.72Å; W45-H716 AromaticContact NE1-CD2 3.76Å; W45-H716 AromaticContact NE1-NE2 3.91Å; W45-S718 WeakPolarHBondContact CH2-OG 3.37Å; W45-M719 HydrophobicContact CH2-CE 3.66Å; W45-M719 HydrophobicContact CZ3-CE 3.66Å; W45-R779 VanDerWaalsContact CD1-CD 3.48Å; W45-R779 VanDerWaalsContact CD1-NH1 3.31Å; W45-R779 HydrophobicContact CD2-CB 3.78Å; W45-R779 HydrophobicContact CD2-CG 4.35Å; W45-R779 VanDerWaalsContact CE2-CD 3.41Å; W45-R779 HydrophobicContact CE3-CB 3.63Å; W45-R779 HydrophobicContact CH2-CB 3.7Å; W45-R779 HydrophobicContact CZ2-CB 3.88Å; W45-R779 HydrophobicContact CZ3-CB 3.57Å; W45-R779 VanDerWaalsContact NE1-CD 3.32Å; W45-Y783 AromaticContact CE3-CE2 3.76Å; W45-Y783 HydrophobicContact CE3-CE2 3.76Å; W45-Y783 AromaticContact CZ3-CE2 3.8Å; W45-Y783 HydrophobicContact CZ3-CE2 3.8Å; W45-Y783 PolarHBondContact O-OH 3.15Å; W45-T1017 HydrophobicContact CH2-CG2 4.04Å; W45-T1017 HydrophobicContact CZ2-CG2 3.49Å; W45-T1017 VanDerWaalsContact CZ2-CG2 3.49Å
46	I	92.7	Very high	88.5	Confident	40 Å²	40	41.8 Å²	41.8	21%	0.205	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-44.1	172.7	-65.2	163	0	0	0	109.9	E42 A43 S49 S50 I658 L661 K662	E42-I46 PolarHBondContact O-N 3.06Å; A43-I46 PolarHBondContact O-N 3.38Å; I46-S49 WeakPolarHBondContact O-CB 2.92Å; I46-S49 PolarHBondContact O-N 3.29Å; I46-S50 PolarHBondContact O-N 2.86Å; I46-I658 HydrophobicContact CD1-CG2 3.91Å; I46-L661 HydrophobicContact CG2-CB 3.94Å; I46-K662 HydrophobicContact CD1-CD 4.26Å; I46-K662 HydrophobicContact CD1-CG 4.09Å; I46-K662 HydrophobicContact CG2-CG 4.4Å
47	V	93.1	Very high	89.1	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-41	174.5	174.6	0	0	0	0	111.6	A43 C44 S49 S50 Y51 L653 I658 L661 W671 L674 I715	A43-V47 WeakPolarHBondContact O-CG2 3.4Å; A43-V47 PolarHBondContact O-N 3.21Å; A43-V47 VanDerWaalsContact O-N 3.16Å; C44-V47 PolarHBondContact O-N 3.43Å; V47-S49 VanDerWaalsContact C-N 3.31Å; V47-S49 PolarHBondContact O-N 3.4Å; V47-S50 PolarHBondContact O-N 3.37Å; V47-S50 PolarHBondContact O-OG 3.06Å; V47-Y51 PolarHBondContact O-N 3.27Å; V47-Y51 VanDerWaalsContact O-N 3.15Å; V47-L653 HydrophobicContact CG2-CD2 4.05Å; V47-I658 HydrophobicContact CG2-CD1 3.62Å; V47-L661 HydrophobicContact CG2-CD1 4.01Å; V47-W671 HydrophobicContact CG1-CE3 4.43Å; V47-W671 HydrophobicContact CG1-CZ3 3.72Å; V47-L674 HydrophobicContact CG1-CD2 3.93Å; V47-I715 HydrophobicContact CG1-CG2 4.45Å
48	I	94.3	Very high	90	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.1	-36.4	175.6	-66.7	163.5	0	0	0	111.1	C44 W45 Y51 F52 M547 I715 H716 M719 Y783	C44-I48 WeakPolarHBondContact O-CD1 3.4Å; C44-I48 WeakPolarHBondContact O-CG1 3.47Å; C44-I48 PolarHBondContact O-N 3.4Å; W45-I48 HydrophobicContact CD2-CD1 4.31Å; W45-I48 HydrophobicContact CE3-CD1 4.06Å; W45-I48 HydrophobicContact CZ3-CD1 4.32Å; W45-I48 PolarHBondContact O-N 2.95Å; I48-Y51 WeakPolarHBondContact O-CB 3.15Å; I48-Y51 PolarHBondContact O-N 3.37Å; I48-F52 HydrophobicContact CG2-CD2 3.57Å; I48-F52 HydrophobicContact CG2-CE2 3.42Å; I48-F52 VanDerWaalsContact CG2-CE2 3.42Å; I48-F52 VanDerWaalsContact O-CD2 3.3Å; I48-F52 WeakPolarHBondContact O-CD2 3.35Å; I48-F52 PolarHBondContact O-N 2.83Å; I48-F52 VanDerWaalsContact O-N 3.08Å; I48-M547 HydrophobicContact CG1-SD 4.25Å; I48-I715 HydrophobicContact CD1-CG2 3.88Å; I48-I715 HydrophobicContact CG1-CG2 3.6Å; I48-H716 HydrophobicContact CD1-CB 3.77Å; I48-M719 HydrophobicContact CD1-CE 4.06Å; I48-M719 HydrophobicContact CD1-CG 4.13Å; I48-M719 HydrophobicContact CD1-SD 4.16Å; I48-M719 HydrophobicContact CG2-CE 4.39Å; I48-M719 HydrophobicContact CG2-SD 4.03Å; I48-Y783 HydrophobicContact CB-CE2 4.38Å; I48-Y783 HydrophobicContact CG2-CD2 4.1Å; I48-Y783 HydrophobicContact CG2-CE2 3.42Å; I48-Y783 VanDerWaalsContact CG2-CE2 3.42Å
49	S	93.2	Very high	90.8	Very high	27 Å²	27	34.8 Å²	34.8	19%	0.189	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-46.1	175.9	-165.9	0	0	0	0	111.4	W45 I46 V47 Y51 F52 D53 Y783	W45-S49 WeakPolarHBondContact O-CB 3.44Å; W45-S49 PolarHBondContact O-N 2.92Å; I46-S49 WeakPolarHBondContact O-CB 2.92Å; I46-S49 PolarHBondContact O-N 3.29Å; V47-S49 VanDerWaalsContact C-N 3.31Å; V47-S49 PolarHBondContact O-N 3.4Å; S49-Y51 VanDerWaalsContact C-N 3.26Å; S49-Y51 PolarHBondContact O-N 2.87Å; S49-F52 PolarHBondContact O-N 3.3Å; S49-D53 WeakPolarHBondContact O-CB 3.45Å; S49-D53 PolarHBondContact O-N 3.38Å; S49-D53 VanDerWaalsContact O-OD2 3.11Å; S49-D53 PolarHBondContact OG-OD2 3.29Å; S49-Y783 PolarHBondContact N-OH 3.47Å
50	S	91.8	Very high	91.2	Very high	9 Å²	9	31.3 Å²	31.3	6%	0.063	16%	0.159	C	C	.	.	H	α-helix	trans	-61.7	-36.7	178.1	67.5	0	0	0	0	111.9	I46 V47 E54	I46-S50 PolarHBondContact O-N 2.86Å; V47-S50 PolarHBondContact O-N 3.37Å; V47-S50 PolarHBondContact O-OG 3.06Å; S50-E54 PolarHBondContact O-N 3.04Å
51	Y	94.2	Very high	91.5	Very high	9 Å²	9	30.3 Å²	30.3	4%	0.035	16%	0.155	C	C	.	.	H	α-helix	trans	-58.7	-52.6	172.6	177.9	-95.4	0	0	0	112.6	V47 I48 S49 E54 K55 M547 P642 W671	V47-Y51 PolarHBondContact O-N 3.27Å; V47-Y51 VanDerWaalsContact O-N 3.15Å; I48-Y51 WeakPolarHBondContact O-CB 3.15Å; I48-Y51 PolarHBondContact O-N 3.37Å; S49-Y51 VanDerWaalsContact C-N 3.26Å; S49-Y51 PolarHBondContact O-N 2.87Å; Y51-E54 PolarHBondContact O-N 3.28Å; Y51-K55 HydrophobicContact CD2-CG 4.19Å; Y51-K55 HydrophobicContact CE2-CB 4.49Å; Y51-K55 HydrophobicContact CE2-CG 3.93Å; Y51-K55 WeakPolarHBondContact O-CB 3.4Å; Y51-K55 PolarHBondContact O-N 2.94Å; Y51-M547 HydrophobicContact CD1-CE 3.83Å; Y51-M547 HydrophobicContact CD1-CG 4.34Å; Y51-M547 HydrophobicContact CD2-CE 3.95Å; Y51-M547 HydrophobicContact CE1-CB 4.35Å; Y51-M547 HydrophobicContact CE1-CE 4.28Å; Y51-M547 HydrophobicContact CE1-CG 4.23Å; Y51-M547 HydrophobicContact CE2-CE 4.38Å; Y51-M547 HydrophobicContact CG-CE 3.65Å; Y51-M547 PolarHBondContact OH-O 3.15Å; Y51-P642 HydrophobicContact CD2-CG 4.49Å; Y51-P642 HydrophobicContact CE2-CG 4.15Å; Y51-W671 AromaticContact CD2-CD2 3.79Å; Y51-W671 HydrophobicContact CD2-CD2 3.79Å; Y51-W671 AromaticContact CD2-CE2 3.55Å; Y51-W671 HydrophobicContact CD2-CE3 4.16Å; Y51-W671 HydrophobicContact CD2-CG 4.31Å; Y51-W671 AromaticContact CD2-CH2 3.97Å; Y51-W671 HydrophobicContact CD2-CH2 3.97Å; Y51-W671 AromaticContact CD2-CZ2 3.66Å; Y51-W671 HydrophobicContact CD2-CZ2 3.66Å; Y51-W671 HydrophobicContact CD2-CZ3 4.24Å; Y51-W671 AromaticContact CD2-NE1 3.97Å; Y51-W671 HydrophobicContact CE2-CZ2 4.23Å; Y51-W671 HydrophobicContact CG-CD2 4.42Å; Y51-W671 HydrophobicContact CG-CE3 4.46Å
52	F	93.7	Very high	92	Very high	15 Å²	15	28.4 Å²	28.4	7%	0.066	15%	0.147	C	C	.	.	H	α-helix	trans	-74.3	-27.6	-176.3	-75	-60.8	0	0	0	113.8	I48 S49 E54 G56 L57 L546 M547 M719 Y783	I48-F52 HydrophobicContact CG2-CD2 3.57Å; I48-F52 HydrophobicContact CG2-CE2 3.42Å; I48-F52 VanDerWaalsContact CG2-CE2 3.42Å; I48-F52 VanDerWaalsContact O-CD2 3.3Å; I48-F52 WeakPolarHBondContact O-CD2 3.35Å; I48-F52 PolarHBondContact O-N 2.83Å; I48-F52 VanDerWaalsContact O-N 3.08Å; S49-F52 PolarHBondContact O-N 3.3Å; F52-E54 VanDerWaalsContact C-N 3.34Å; F52-G56 VanDerWaalsContact O-CA 3.25Å; F52-G56 WeakPolarHBondContact O-CA 3.42Å; F52-G56 PolarHBondContact O-N 3.31Å; F52-L57 HydrophobicContact CD1-CD2 3.81Å; F52-L57 HydrophobicContact CE1-CD2 3.59Å; F52-L57 HydrophobicContact CZ-CD2 4.49Å; F52-L546 HydrophobicContact CZ-CB 4.1Å; F52-M547 HydrophobicContact CE2-CG 4.5Å; F52-M547 HydrophobicContact CZ-CG 4.14Å; F52-M719 HydrophobicContact CE2-SD 4.28Å; F52-Y783 HydrophobicContact CB-CD1 4.01Å; F52-Y783 HydrophobicContact CB-CG 4.16Å; F52-Y783 AromaticContact CD2-CD1 3.88Å; F52-Y783 HydrophobicContact CD2-CD1 3.88Å; F52-Y783 AromaticContact CD2-CD2 3.5Å; F52-Y783 HydrophobicContact CD2-CD2 3.5Å; F52-Y783 HydrophobicContact CD2-CE1 4.38Å; F52-Y783 HydrophobicContact CD2-CE2 4.03Å; F52-Y783 AromaticContact CD2-CG 3.41Å; F52-Y783 HydrophobicContact CD2-CG 3.41Å; F52-Y783 VanDerWaalsContact CD2-CG 3.41Å; F52-Y783 AromaticContact CE2-CD2 3.75Å; F52-Y783 HydrophobicContact CE2-CD2 3.75Å; F52-Y783 HydrophobicContact CE2-CE2 4.29Å; F52-Y783 HydrophobicContact CE2-CG 4.07Å; F52-Y783 HydrophobicContact CG-CD1 4.29Å; F52-Y783 HydrophobicContact CG-CD2 4.46Å; F52-Y783 AromaticContact CG-CG 3.96Å; F52-Y783 HydrophobicContact CG-CG 3.96Å
53	D	89.4	Confident	92.3	Very high	98 Å²	98	24.8 Å²	24.8	52%	0.524	13%	0.131	S	C	.	.	H	α-helix	trans	-65.7	-38.5	174.8	-70.1	-27.8	0	0	0	111.4	S49 K664	S49-D53 WeakPolarHBondContact O-CB 3.45Å; S49-D53 PolarHBondContact O-N 3.38Å; S49-D53 VanDerWaalsContact O-OD2 3.11Å; S49-D53 PolarHBondContact OG-OD2 3.29Å; D53-K664 IonicContact OD2-NZ 3.71Å; D53-K664 PolarHBondContact OD2-NZ 3.06Å
54	E	88.1	Confident	92.5	Very high	66 Å²	66	24.7 Å²	24.7	31%	0.308	13%	0.13	S	C	.	.	H	α-helix	trans	-85.2	-50.6	179	-167.7	-166.6	122.1	0	0	112.7	S50 Y51 F52 W671 Q672	S50-E54 PolarHBondContact O-N 3.04Å; Y51-E54 PolarHBondContact O-N 3.28Å; F52-E54 VanDerWaalsContact C-N 3.34Å; E54-W671 HydrophobicContact CB-CB 4.36Å; E54-W671 WeakPolarHBondContact OE2-CB 3.46Å; E54-W671 PolarHBondContact OE2-N 3.14Å; E54-Q672 PolarHBondContact OE2-N 2.88Å
55	K	89.3	Confident	92.7	Very high	37 Å²	37	24.7 Å²	24.7	16%	0.161	13%	0.129	C	C	.	.	H	α-helix	trans	-84.2	-33.5	-173.1	-59.7	-58.3	-177.2	-154.4	0	112.5	Y51 R59	Y51-K55 HydrophobicContact CD2-CG 4.19Å; Y51-K55 HydrophobicContact CE2-CB 4.49Å; Y51-K55 HydrophobicContact CE2-CG 3.93Å; Y51-K55 WeakPolarHBondContact O-CB 3.4Å; Y51-K55 PolarHBondContact O-N 2.94Å; K55-R59 HydrophobicContact CD-CG 4.47Å; K55-R59 VanDerWaalsContact O-CB 3.29Å; K55-R59 WeakPolarHBondContact O-CB 3.45Å; K55-R59 WeakPolarHBondContact O-CD 3.41Å
56	G	91.5	Very high	92.8	Very high	32 Å²	32	24.5 Å²	24.5	33%	0.33	13%	0.13	S	C	.	.			trans	65.6	-161.7	-169.5	0	0	0	0	0	113.1	F52	F52-G56 VanDerWaalsContact O-CA 3.25Å; F52-G56 WeakPolarHBondContact O-CA 3.42Å; F52-G56 PolarHBondContact O-N 3.31Å
57	L	92.2	Very high	92.8	Very high	19 Å²	19	24.1 Å²	24.1	10%	0.099	13%	0.127	C	C	.	.	S	Bend	trans	-105.8	-11.4	-172	-68.1	173	0	0	0	115.4	F52 L497 R501 I723 L784	F52-L57 HydrophobicContact CD1-CD2 3.81Å; F52-L57 HydrophobicContact CE1-CD2 3.59Å; F52-L57 HydrophobicContact CZ-CD2 4.49Å; L57-L497 HydrophobicContact CB-CD2 4.38Å; L57-L497 HydrophobicContact CD1-CD1 3.83Å; L57-L497 HydrophobicContact CD1-CD2 4.04Å; L57-R501 VanDerWaalsContact O-CD 3.23Å; L57-R501 WeakPolarHBondContact O-CD 3.34Å; L57-R501 PolarHBondContact O-NE 3.24Å; L57-I723 HydrophobicContact CD1-CD1 4.44Å; L57-I723 HydrophobicContact CD2-CD1 4.21Å; L57-L784 HydrophobicContact CD1-CD2 3.83Å; L57-L784 HydrophobicContact CD2-CD2 4.35Å
58	V	93.6	Very high	92.8	Very high	8 Å²	8	24.2 Å²	24.2	5%	0.048	13%	0.127	C	C	.	.			trans	-127	19.4	-174.4	-84.1	0	0	0	0	113.2	Q60 Q61 L62 P198 L500	V58-Q60 PolarHBondContact O-N 3.18Å; V58-Q61 PolarHBondContact O-N 3.16Å; V58-L62 PolarHBondContact O-N 3.01Å; V58-P198 HydrophobicContact CG2-CB 3.64Å; V58-P198 WeakPolarHBondContact CG2-O 3.29Å; V58-L500 HydrophobicContact CG1-CB 3.5Å; V58-L500 VanDerWaalsContact CG1-CB 3.5Å; V58-L500 HydrophobicContact CG1-CD1 3.87Å; V58-L500 HydrophobicContact CG1-CG 4.2Å
59	R	91	Very high	92.8	Very high	86 Å²	86	25 Å²	25	33%	0.325	13%	0.132	S	C	.	.	H	α-helix	trans	-51.9	-42.8	-176.8	-160.7	67.8	-154.7	175.6	5.1	113	K55 Q61 L62 D63	K55-R59 HydrophobicContact CD-CG 4.47Å; K55-R59 VanDerWaalsContact O-CB 3.29Å; K55-R59 WeakPolarHBondContact O-CB 3.45Å; K55-R59 WeakPolarHBondContact O-CD 3.41Å; R59-Q61 PolarHBondContact O-N 3.15Å; R59-Q61 VanDerWaalsContact O-N 3.15Å; R59-L62 PolarHBondContact O-N 3.32Å; R59-L62 VanDerWaalsContact O-N 3.08Å; R59-D63 WeakPolarHBondContact CG-OD2 3.18Å; R59-D63 IonicContact CZ-OD1 3.14Å; R59-D63 IonicContact CZ-OD2 3.08Å; R59-D63 IonicContact NE-OD1 3.35Å; R59-D63 PolarHBondContact NE-OD1 2.95Å; R59-D63 IonicContact NE-OD2 3.58Å; R59-D63 PolarHBondContact NE-OD2 3Å; R59-D63 IonicContact NH2-OD1 3.27Å; R59-D63 PolarHBondContact NH2-OD1 2.95Å; R59-D63 WeakPolarHBondContact O-CB 3.35Å; R59-D63 PolarHBondContact O-N 3.26Å
60	Q	92	Very high	92.7	Very high	7 Å²	7	29 Å²	29	3%	0.033	15%	0.147	C	C	.	.	H	α-helix	trans	-56.7	-34	179.6	71.6	-73.2	-5.3	0	0	113.7	V58 S64 L413 L544 I550	V58-Q60 PolarHBondContact O-N 3.18Å; Q60-S64 WeakPolarHBondContact O-CB 3.4Å; Q60-S64 PolarHBondContact O-N 3.36Å; Q60-L413 HydrophobicContact CB-CD1 4.03Å; Q60-L413 WeakPolarHBondContact O-CD1 3.34Å; Q60-L544 HydrophobicContact CG-CD1 4.23Å; Q60-I550 HydrophobicContact CB-CB 4.21Å; Q60-I550 HydrophobicContact CB-CD1 4.24Å; Q60-I550 HydrophobicContact CB-CG1 4.4Å; Q60-I550 HydrophobicContact CG-CD1 4.18Å
61	Q	93.9	Very high	92.5	Very high	3 Å²	3	30.9 Å²	30.9	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-76	-41.7	178.6	-66.9	-72.7	-1.2	0	0	111	V58 R59 F65 M172 L211 L500	V58-Q61 PolarHBondContact O-N 3.16Å; R59-Q61 PolarHBondContact O-N 3.15Å; R59-Q61 VanDerWaalsContact O-N 3.15Å; Q61-F65 WeakPolarHBondContact O-CB 3.49Å; Q61-F65 PolarHBondContact O-N 3.45Å; Q61-M172 HydrophobicContact CB-CE 4.44Å; Q61-M172 HydrophobicContact CB-SD 4.23Å; Q61-L211 PolarHBondContact NE2-O 3.07Å; Q61-L211 VanDerWaalsContact NE2-O 3.11Å; Q61-L500 PolarHBondContact NE2-O 3.42Å
62	L	95.4	Very high	92.3	Very high	18 Å²	18	31.1 Å²	31.1	9%	0.094	16%	0.161	C	C	.	.	H	α-helix	trans	-68.2	-52.8	-179.5	-62.3	176.4	0	0	0	110.8	V58 R59 S64 F65 D66 M172 L173 R174	V58-L62 PolarHBondContact O-N 3.01Å; R59-L62 PolarHBondContact O-N 3.32Å; R59-L62 VanDerWaalsContact O-N 3.08Å; L62-S64 VanDerWaalsContact C-N 3.32Å; L62-S64 PolarHBondContact O-N 3.28Å; L62-F65 PolarHBondContact O-N 3.34Å; L62-D66 WeakPolarHBondContact O-CB 3.43Å; L62-D66 VanDerWaalsContact O-CG 3.32Å; L62-D66 PolarHBondContact O-N 3.39Å; L62-M172 HydrophobicContact CD2-CG 4.35Å; L62-M172 HydrophobicContact CD2-SD 3.93Å; L62-L173 WeakPolarHBondContact CD2-O 3.37Å; L62-R174 HydrophobicContact CD2-CB 4.39Å
63	D	94	Very high	92.1	Very high	25 Å²	25	30.6 Å²	30.6	13%	0.134	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-41.6	-179.1	-73.6	-14.3	0	0	0	111.7	R59 F65 D66 E67 V552	R59-D63 WeakPolarHBondContact CG-OD2 3.18Å; R59-D63 IonicContact CZ-OD1 3.14Å; R59-D63 IonicContact CZ-OD2 3.08Å; R59-D63 IonicContact NE-OD1 3.35Å; R59-D63 PolarHBondContact NE-OD1 2.95Å; R59-D63 IonicContact NE-OD2 3.58Å; R59-D63 PolarHBondContact NE-OD2 3Å; R59-D63 IonicContact NH2-OD1 3.27Å; R59-D63 PolarHBondContact NH2-OD1 2.95Å; R59-D63 WeakPolarHBondContact O-CB 3.35Å; R59-D63 PolarHBondContact O-N 3.26Å; D63-F65 VanDerWaalsContact C-N 3.3Å; D63-F65 PolarHBondContact O-N 3.37Å; D63-D66 PolarHBondContact O-N 3.17Å; D63-E67 WeakPolarHBondContact O-CB 3.35Å; D63-E67 PolarHBondContact O-N 2.85Å; D63-V552 HydrophobicContact CB-CG1 3.64Å
64	S	94.1	Very high	92.3	Very high	5 Å²	5	27.2 Å²	27.2	4%	0.035	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-35.6	176.1	-176.6	0	0	0	0	112.4	Q60 L62 F68 L413 G415 P416	Q60-S64 WeakPolarHBondContact O-CB 3.4Å; Q60-S64 PolarHBondContact O-N 3.36Å; L62-S64 VanDerWaalsContact C-N 3.32Å; L62-S64 PolarHBondContact O-N 3.28Å; S64-F68 WeakPolarHBondContact O-CB 3.32Å; S64-F68 PolarHBondContact O-N 3.14Å; S64-L413 VanDerWaalsContact OG-CB 3.29Å; S64-L413 WeakPolarHBondContact OG-CB 3.4Å; S64-G415 WeakPolarHBondContact O-CA 3.29Å; S64-G415 WeakPolarHBondContact OG-CA 3.33Å; S64-G415 PolarHBondContact OG-N 2.79Å; S64-P416 WeakPolarHBondContact OG-CD 3.38Å
65	F	95.9	Very high	92.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-74.9	-39.8	176	-179	-98.6	0	0	0	112.1	Q61 L62 D63 F68 I69 I171 M172 F202 L418	Q61-F65 WeakPolarHBondContact O-CB 3.49Å; Q61-F65 PolarHBondContact O-N 3.45Å; L62-F65 PolarHBondContact O-N 3.34Å; D63-F65 VanDerWaalsContact C-N 3.3Å; D63-F65 PolarHBondContact O-N 3.37Å; F65-F68 HydrophobicContact CD2-CD1 4.27Å; F65-F68 HydrophobicContact CE2-CD1 4.26Å; F65-F68 WeakPolarHBondContact O-CB 3.44Å; F65-F68 PolarHBondContact O-N 2.86Å; F65-I69 HydrophobicContact CD1-CG1 4.23Å; F65-I69 HydrophobicContact CE1-CD1 4.3Å; F65-I69 HydrophobicContact CE1-CG1 3.75Å; F65-I69 HydrophobicContact CE2-CD1 4.18Å; F65-I69 HydrophobicContact CE2-CG1 4.24Å; F65-I69 HydrophobicContact CZ-CD1 3.8Å; F65-I69 HydrophobicContact CZ-CG1 3.76Å; F65-I69 WeakPolarHBondContact O-CG1 3.19Å; F65-I69 PolarHBondContact O-N 3.31Å; F65-I69 VanDerWaalsContact O-N 3.08Å; F65-I171 HydrophobicContact CZ-CD1 4.31Å; F65-M172 HydrophobicContact CB-CB 4.41Å; F65-M172 HydrophobicContact CB-CE 3.81Å; F65-M172 HydrophobicContact CB-SD 3.9Å; F65-M172 HydrophobicContact CD1-CB 3.65Å; F65-M172 HydrophobicContact CD2-CB 4.14Å; F65-M172 HydrophobicContact CD2-CE 4.31Å; F65-M172 HydrophobicContact CE1-CB 3.87Å; F65-M172 HydrophobicContact CE2-CB 4.35Å; F65-M172 HydrophobicContact CG-CB 3.78Å; F65-M172 HydrophobicContact CG-CE 4.17Å; F65-M172 HydrophobicContact CG-SD 4.3Å; F65-M172 HydrophobicContact CZ-CB 4.21Å; F65-F202 HydrophobicContact CD2-CE1 4.07Å; F65-F202 AromaticContact CD2-CZ 3.82Å; F65-F202 HydrophobicContact CD2-CZ 3.82Å; F65-F202 AromaticContact CE2-CE1 3.65Å; F65-F202 HydrophobicContact CE2-CE1 3.65Å; F65-F202 AromaticContact CE2-CZ 3.87Å; F65-F202 HydrophobicContact CE2-CZ 3.87Å; F65-F202 HydrophobicContact CZ-CE1 4.23Å; F65-L418 HydrophobicContact CD2-CD1 3.77Å; F65-L418 HydrophobicContact CE2-CD1 3.86Å
66	D	94.9	Very high	92.3	Very high	10 Å²	10	24.6 Å²	24.6	5%	0.053	13%	0.128	C	C	.	.	H	α-helix	trans	-64.9	-44.6	178.8	-71.2	-34	0	0	0	111	L62 D63 F68 I69 Q70 S175 T176	L62-D66 WeakPolarHBondContact O-CB 3.43Å; L62-D66 VanDerWaalsContact O-CG 3.32Å; L62-D66 PolarHBondContact O-N 3.39Å; D63-D66 PolarHBondContact O-N 3.17Å; D66-F68 VanDerWaalsContact C-N 3.26Å; D66-F68 PolarHBondContact O-N 3.02Å; D66-I69 PolarHBondContact O-N 3.38Å; D66-Q70 WeakPolarHBondContact O-CB 3.49Å; D66-Q70 VanDerWaalsContact O-CG 3.3Å; D66-Q70 WeakPolarHBondContact O-CG 3.11Å; D66-Q70 PolarHBondContact O-N 3.2Å; D66-S175 WeakPolarHBondContact OD1-CB 3.43Å; D66-T176 HydrophobicContact CB-CG2 4.45Å; D66-T176 VanDerWaalsContact CG-OG1 3.26Å; D66-T176 PolarHBondContact OD1-N 2.98Å; D66-T176 PolarHBondContact OD1-OG1 3.36Å; D66-T176 WeakPolarHBondContact OD2-CG2 3.42Å; D66-T176 PolarHBondContact OD2-N 3.45Å
67	E	92.6	Very high	92.2	Very high	32 Å²	32	23 Å²	23	15%	0.15	11%	0.112	C	C	.	.	H	α-helix	trans	-57	-42.3	171.7	-172.9	-73.2	147.8	0	0	111.2	D63 I69 Q70 T71 S72 V552	D63-E67 WeakPolarHBondContact O-CB 3.35Å; D63-E67 PolarHBondContact O-N 2.85Å; E67-I69 VanDerWaalsContact C-N 3.35Å; E67-I69 PolarHBondContact O-N 3.11Å; E67-Q70 PolarHBondContact O-N 3.46Å; E67-T71 PolarHBondContact O-N 2.78Å; E67-T71 WeakPolarHBondContact OE1-CB 3.38Å; E67-S72 PolarHBondContact O-N 3.18Å; E67-S72 PolarHBondContact OE1-OG 3.29Å; E67-S72 VanDerWaalsContact OE1-OG 3.09Å; E67-S72 PolarHBondContact OE2-OG 3.18Å; E67-V552 HydrophobicContact CB-CB 4.47Å
68	F	93.3	Very high	92	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.013	13%	0.133	C	C	.	.	I	π-helix	trans	-60.1	-47.6	-178.6	161	-109.9	0	0	0	111.4	S64 F65 D66 S72 I73 L418 A419 F422	S64-F68 WeakPolarHBondContact O-CB 3.32Å; S64-F68 PolarHBondContact O-N 3.14Å; F65-F68 HydrophobicContact CD2-CD1 4.27Å; F65-F68 HydrophobicContact CE2-CD1 4.26Å; F65-F68 WeakPolarHBondContact O-CB 3.44Å; F65-F68 PolarHBondContact O-N 2.86Å; D66-F68 VanDerWaalsContact C-N 3.26Å; D66-F68 PolarHBondContact O-N 3.02Å; F68-S72 PolarHBondContact O-N 2.7Å; F68-I73 HydrophobicContact CD1-CD1 4.26Å; F68-I73 HydrophobicContact CD1-CG1 4.43Å; F68-I73 HydrophobicContact CD2-CG1 3.87Å; F68-I73 HydrophobicContact CE1-CD1 3.66Å; F68-I73 HydrophobicContact CE1-CG1 3.99Å; F68-I73 HydrophobicContact CE2-CD1 3.96Å; F68-I73 HydrophobicContact CE2-CG1 3.34Å; F68-I73 HydrophobicContact CG-CG1 4.39Å; F68-I73 HydrophobicContact CZ-CD1 3.49Å; F68-I73 VanDerWaalsContact CZ-CD1 3.49Å; F68-I73 HydrophobicContact CZ-CG1 3.42Å; F68-I73 VanDerWaalsContact CZ-CG1 3.42Å; F68-I73 WeakPolarHBondContact O-CG1 3.42Å; F68-I73 PolarHBondContact O-N 2.61Å; F68-L418 HydrophobicContact CD1-CB 4.1Å; F68-L418 HydrophobicContact CD1-CD1 4.11Å; F68-L418 HydrophobicContact CD2-CB 4.33Å; F68-L418 HydrophobicContact CE1-CB 3.75Å; F68-L418 HydrophobicContact CE1-CD1 4Å; F68-L418 HydrophobicContact CE1-CG 4.5Å; F68-L418 HydrophobicContact CE2-CB 4.03Å; F68-L418 HydrophobicContact CG-CB 4.36Å; F68-L418 HydrophobicContact CZ-CB 3.71Å; F68-A419 HydrophobicContact CD2-CB 3.95Å; F68-A419 HydrophobicContact CE2-CB 4.08Å; F68-F422 HydrophobicContact CE2-CB 4.44Å; F68-F422 HydrophobicContact CZ-CB 4.31Å
69	I	93.7	Very high	91.6	Very high	17 Å²	17	30.7 Å²	30.7	9%	0.087	15%	0.149	C	C	.	.	I	π-helix	trans	-69.7	-42.3	-179.7	-60.4	-65.5	0	0	0	111.6	F65 D66 E67 I73 L111 I169 Y177	F65-I69 HydrophobicContact CD1-CG1 4.23Å; F65-I69 HydrophobicContact CE1-CD1 4.3Å; F65-I69 HydrophobicContact CE1-CG1 3.75Å; F65-I69 HydrophobicContact CE2-CD1 4.18Å; F65-I69 HydrophobicContact CE2-CG1 4.24Å; F65-I69 HydrophobicContact CZ-CD1 3.8Å; F65-I69 HydrophobicContact CZ-CG1 3.76Å; F65-I69 WeakPolarHBondContact O-CG1 3.19Å; F65-I69 PolarHBondContact O-N 3.31Å; F65-I69 VanDerWaalsContact O-N 3.08Å; D66-I69 PolarHBondContact O-N 3.38Å; E67-I69 VanDerWaalsContact C-N 3.35Å; E67-I69 PolarHBondContact O-N 3.11Å; I69-I73 HydrophobicContact CD1-CD1 3.73Å; I69-L111 HydrophobicContact CD1-CD2 4.24Å; I69-L111 HydrophobicContact CG2-CD2 3.45Å; I69-L111 VanDerWaalsContact CG2-CD2 3.45Å; I69-I169 HydrophobicContact CD1-CG2 4.21Å; I69-Y177 HydrophobicContact CB-CD2 3.94Å; I69-Y177 HydrophobicContact CB-CE2 3.57Å; I69-Y177 HydrophobicContact CG1-CD2 4.25Å; I69-Y177 HydrophobicContact CG1-CE2 4.38Å; I69-Y177 HydrophobicContact CG2-CD1 4.35Å; I69-Y177 HydrophobicContact CG2-CD2 3.61Å; I69-Y177 HydrophobicContact CG2-CE1 4.02Å; I69-Y177 HydrophobicContact CG2-CE2 3.22Å; I69-Y177 HydrophobicContact CG2-CG 4.17Å; I69-Y177 VanDerWaalsContact CG2-CZ 3.44Å
70	Q	91.1	Very high	91.2	Very high	111 Å²	111	27.6 Å²	27.6	52%	0.519	14%	0.141	S	C	.	.	I	π-helix	trans	-71.1	-44.4	-175.4	-74.3	175	2.1	0	0	112.7	D66 E67 Y177	D66-Q70 WeakPolarHBondContact O-CB 3.49Å; D66-Q70 VanDerWaalsContact O-CG 3.3Å; D66-Q70 WeakPolarHBondContact O-CG 3.11Å; D66-Q70 PolarHBondContact O-N 3.2Å; E67-Q70 PolarHBondContact O-N 3.46Å; Q70-Y177 HydrophobicContact CG-CE2 4.1Å; Q70-Y177 WeakPolarHBondContact CG-OH 3.33Å
71	T	88.9	Confident	90.8	Very high	48 Å²	48	32.1 Å²	32.1	29%	0.294	17%	0.171	S	C	.	.	I	π-helix	trans	-120.9	-53.1	-166.1	-56	0	0	0	0	111.8	E67 I73 Q74 K75	E67-T71 PolarHBondContact O-N 2.78Å; E67-T71 WeakPolarHBondContact OE1-CB 3.38Å; T71-I73 PolarHBondContact O-N 3.26Å; T71-Q74 PolarHBondContact O-N 3.01Å; T71-K75 HydrophobicContact CG2-CD 3.87Å; T71-K75 VanDerWaalsContact CG2-CE 3.49Å; T71-K75 HydrophobicContact CG2-CG 4.41Å; T71-K75 WeakPolarHBondContact O-CG 3.46Å; T71-K75 PolarHBondContact O-N 2.78Å; T71-K75 VanDerWaalsContact O-N 3.08Å
72	S	88.8	Confident	90.5	Very high	14 Å²	14	36.4 Å²	36.4	10%	0.098	19%	0.193	C	C	.	.	I	π-helix	trans	-65.1	-40.6	-170	-74.1	0	0	0	0	113.9	E67 F68 I76	E67-S72 PolarHBondContact O-N 3.18Å; E67-S72 PolarHBondContact OE1-OG 3.29Å; E67-S72 VanDerWaalsContact OE1-OG 3.09Å; E67-S72 PolarHBondContact OE2-OG 3.18Å; F68-S72 PolarHBondContact O-N 2.7Å; S72-I76 WeakPolarHBondContact O-CD1 3.39Å; S72-I76 WeakPolarHBondContact O-CG1 3.44Å; S72-I76 PolarHBondContact O-N 2.85Å
73	I	91.2	Very high	90.1	Very high	4 Å²	4	36 Å²	36	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-64	-45.5	178.1	-63.3	177.6	0	0	0	110.5	F68 I69 T71 K75 I76 V77 I109 I169 F422	F68-I73 HydrophobicContact CD1-CD1 4.26Å; F68-I73 HydrophobicContact CD1-CG1 4.43Å; F68-I73 HydrophobicContact CD2-CG1 3.87Å; F68-I73 HydrophobicContact CE1-CD1 3.66Å; F68-I73 HydrophobicContact CE1-CG1 3.99Å; F68-I73 HydrophobicContact CE2-CD1 3.96Å; F68-I73 HydrophobicContact CE2-CG1 3.34Å; F68-I73 HydrophobicContact CG-CG1 4.39Å; F68-I73 HydrophobicContact CZ-CD1 3.49Å; F68-I73 VanDerWaalsContact CZ-CD1 3.49Å; F68-I73 HydrophobicContact CZ-CG1 3.42Å; F68-I73 VanDerWaalsContact CZ-CG1 3.42Å; F68-I73 WeakPolarHBondContact O-CG1 3.42Å; F68-I73 PolarHBondContact O-N 2.61Å; I69-I73 HydrophobicContact CD1-CD1 3.73Å; T71-I73 PolarHBondContact O-N 3.26Å; I73-K75 PolarHBondContact O-N 3.49Å; I73-I76 PolarHBondContact O-N 3.42Å; I73-I76 VanDerWaalsContact O-N 3.15Å; I73-V77 PolarHBondContact O-N 2.76Å; I73-V77 VanDerWaalsContact O-N 3.12Å; I73-I109 HydrophobicContact CB-CD1 4.3Å; I73-I109 HydrophobicContact CG2-CD1 3.34Å; I73-I169 HydrophobicContact CD1-CD1 3.52Å; I73-F422 HydrophobicContact CG2-CD1 4.29Å; I73-F422 HydrophobicContact CG2-CE1 3.66Å; I73-F422 HydrophobicContact CG2-CZ 3.83Å
74	Q	91.8	Very high	89.9	Confident	26 Å²	26	40.3 Å²	40.3	12%	0.121	21%	0.21	C	C	.	.	H	α-helix	trans	-57.6	-50.3	179.5	-174.5	58.2	39.3	0	0	110.5	T71 I76 V77 E78 E107	T71-Q74 PolarHBondContact O-N 3.01Å; Q74-I76 VanDerWaalsContact C-N 3.31Å; Q74-I76 PolarHBondContact O-N 2.8Å; Q74-V77 PolarHBondContact O-N 2.79Å; Q74-V77 VanDerWaalsContact O-N 3.11Å; Q74-E78 WeakPolarHBondContact CG-OE1 3.37Å; Q74-E78 PolarHBondContact NE2-OE1 2.95Å; Q74-E78 WeakPolarHBondContact O-CG 3.45Å; Q74-E78 PolarHBondContact O-N 3.15Å; Q74-E107 PolarHBondContact NE2-O 2.87Å
75	K	87.9	Confident	89.5	Confident	38 Å²	38	40.4 Å²	40.4	17%	0.165	21%	0.21	C	C	.	.	H	α-helix	trans	-58.3	-38.1	176.1	-71.8	-179.1	174.7	175.5	0	113.4	T71 I73 V77 E78 D79 H244	T71-K75 HydrophobicContact CG2-CD 3.87Å; T71-K75 VanDerWaalsContact CG2-CE 3.49Å; T71-K75 HydrophobicContact CG2-CG 4.41Å; T71-K75 WeakPolarHBondContact O-CG 3.46Å; T71-K75 PolarHBondContact O-N 2.78Å; T71-K75 VanDerWaalsContact O-N 3.08Å; I73-K75 PolarHBondContact O-N 3.49Å; K75-V77 VanDerWaalsContact C-N 3.32Å; K75-V77 PolarHBondContact O-N 3.1Å; K75-E78 PolarHBondContact O-N 2.95Å; K75-D79 VanDerWaalsContact O-CB 3.29Å; K75-D79 WeakPolarHBondContact O-CB 3.46Å; K75-D79 PolarHBondContact O-N 3.41Å; K75-H244 HydrophobicContact CD-CB 4.15Å; K75-H244 PolarHBondContact NZ-CD2 3.09Å; K75-H244 PolarHBondContact NZ-CE1 3.22Å; K75-H244 PolarHBondContact NZ-NE2 3.35Å
76	I	89.4	Confident	88.9	Confident	10 Å²	10	45.4 Å²	45.4	5%	0.051	23%	0.233	C	C	.	.	H	α-helix	trans	-66	-36.7	178.6	-72.7	163.6	0	0	0	111.6	S72 I73 Q74 S80 A419 F422 R423	S72-I76 WeakPolarHBondContact O-CD1 3.39Å; S72-I76 WeakPolarHBondContact O-CG1 3.44Å; S72-I76 PolarHBondContact O-N 2.85Å; I73-I76 PolarHBondContact O-N 3.42Å; I73-I76 VanDerWaalsContact O-N 3.15Å; Q74-I76 VanDerWaalsContact C-N 3.31Å; Q74-I76 PolarHBondContact O-N 2.8Å; I76-S80 PolarHBondContact O-N 3.1Å; I76-A419 HydrophobicContact CD1-CB 3.98Å; I76-F422 HydrophobicContact CD1-CD1 4.31Å; I76-F422 HydrophobicContact CG2-CD1 4.03Å; I76-F422 HydrophobicContact CG2-CE1 4.19Å; I76-R423 HydrophobicContact CD1-CB 4.34Å; I76-R423 HydrophobicContact CG2-CB 4.06Å; I76-R423 HydrophobicContact CG2-CG 4.3Å
77	V	90.5	Very high	87.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-73.7	-39.9	178.6	172.8	0	0	0	0	110.6	I73 Q74 K75 S80 F106 I109 V144 F422 F426	I73-V77 PolarHBondContact O-N 2.76Å; I73-V77 VanDerWaalsContact O-N 3.12Å; Q74-V77 PolarHBondContact O-N 2.79Å; Q74-V77 VanDerWaalsContact O-N 3.11Å; K75-V77 VanDerWaalsContact C-N 3.32Å; K75-V77 PolarHBondContact O-N 3.1Å; V77-S80 VanDerWaalsContact O-CB 3.32Å; V77-S80 WeakPolarHBondContact O-CB 3.44Å; V77-S80 PolarHBondContact O-N 3.49Å; V77-S80 PolarHBondContact O-OG 3.42Å; V77-F106 HydrophobicContact CG1-CB 3.41Å; V77-F106 VanDerWaalsContact CG1-CB 3.41Å; V77-F106 HydrophobicContact CG1-CG 4.39Å; V77-I109 HydrophobicContact CB-CD1 3.79Å; V77-I109 HydrophobicContact CB-CG1 4.32Å; V77-I109 HydrophobicContact CG1-CD1 4.39Å; V77-I109 HydrophobicContact CG1-CG1 4.42Å; V77-I109 HydrophobicContact CG2-CD1 3.34Å; V77-I109 HydrophobicContact CG2-CG1 4.12Å; V77-V144 HydrophobicContact CG1-CG2 4.12Å; V77-F422 HydrophobicContact CG2-CE1 4.31Å; V77-F426 HydrophobicContact CB-CE1 4.49Å; V77-F426 HydrophobicContact CB-CZ 4.39Å; V77-F426 HydrophobicContact CG1-CE1 4.5Å; V77-F426 HydrophobicContact CG1-CZ 4.08Å; V77-F426 HydrophobicContact CG2-CE1 4.09Å; V77-F426 HydrophobicContact CG2-CE2 4.09Å; V77-F426 HydrophobicContact CG2-CZ 3.85Å
78	E	88.3	Confident	86.9	Confident	115 Å²	115	51.8 Å²	51.8	54%	0.537	27%	0.269	S	S	.	.	H	α-helix	trans	-67.5	-39.4	175.4	-69.8	170.8	179.5	0	0	113.5	Q74 K75 S80	Q74-E78 WeakPolarHBondContact CG-OE1 3.37Å; Q74-E78 PolarHBondContact NE2-OE1 2.95Å; Q74-E78 WeakPolarHBondContact O-CG 3.45Å; Q74-E78 PolarHBondContact O-N 3.15Å; K75-E78 PolarHBondContact O-N 2.95Å; E78-S80 PolarHBondContact O-N 2.87Å
79	D	83.9	Confident	85.3	Confident	72 Å²	72	55.7 Å²	55.7	39%	0.385	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-10.9	175.4	-173.8	58.1	0	0	0	112.4	K75 S246	K75-D79 VanDerWaalsContact O-CB 3.29Å; K75-D79 WeakPolarHBondContact O-CB 3.46Å; K75-D79 PolarHBondContact O-N 3.41Å; D79-S246 VanDerWaalsContact OD2-CB 3.28Å; D79-S246 WeakPolarHBondContact OD2-CB 3.2Å; D79-S246 PolarHBondContact OD2-N 3.43Å; D79-S246 PolarHBondContact OD2-OG 2.81Å
80	S	83.5	Confident	83.5	Confident	22 Å²	22	61.3 Å²	61.3	15%	0.154	33%	0.328	C	S	.	.	S	Bend	trans	-70.9	133.2	-179	78.4	0	0	0	0	111.1	I76 V77 E78	I76-S80 PolarHBondContact O-N 3.1Å; V77-S80 VanDerWaalsContact O-CB 3.32Å; V77-S80 WeakPolarHBondContact O-CB 3.44Å; V77-S80 PolarHBondContact O-N 3.49Å; V77-S80 PolarHBondContact O-OG 3.42Å; E78-S80 PolarHBondContact O-N 2.87Å
81	P	83.1	Confident	81.8	Confident	102 Å²	102	65.9 Å²	65.9	66%	0.662	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-66.2	142.8	-177.8	27.1	-34.5	0	0	0	111	I83	P81-I83 PolarHBondContact O-N 3.31Å
82	I	87.7	Confident	80	Confident	93 Å²	93	68.5 Å²	68.5	48%	0.477	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-56.3	130.8	174	-59	173.5	0	0	0	109.1	E84 R103	I82-E84 HydrophobicContact CG2-CG 4.28Å; I82-E84 PolarHBondContact O-N 2.85Å; I82-R103 HydrophobicContact CG2-CB 4.12Å
83	I	88.4	Confident	77.8	Confident	10 Å²	10	71.9 Å²	71.9	5%	0.051	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	110.8	176.6	-49.7	177.3	0	0	0	107.9	P81 L85 R103 L104 F106 T430 I433 R434	P81-I83 PolarHBondContact O-N 3.31Å; I83-L85 HydrophobicContact CG2-CD1 4.28Å; I83-L85 HydrophobicContact CG2-CG 4.15Å; I83-R103 WeakPolarHBondContact O-CA 3.35Å; I83-L104 HydrophobicContact CB-CB 4.19Å; I83-L104 HydrophobicContact CD1-CB 4.48Å; I83-L104 HydrophobicContact CD1-CD1 4.35Å; I83-L104 PolarHBondContact N-O 3.09Å; I83-L104 VanDerWaalsContact N-O 3.07Å; I83-L104 PolarHBondContact O-N 3.13Å; I83-F106 HydrophobicContact CD1-CE2 4.05Å; I83-F106 HydrophobicContact CD1-CZ 4.42Å; I83-T430 HydrophobicContact CD1-CG2 3.46Å; I83-T430 VanDerWaalsContact CD1-CG2 3.46Å; I83-T430 HydrophobicContact CG1-CG2 3.55Å; I83-I433 HydrophobicContact CD1-CB 4.4Å; I83-I433 HydrophobicContact CD1-CG2 4.02Å; I83-R434 HydrophobicContact CG2-CB 4.13Å; I83-R434 HydrophobicContact CG2-CG 4.11Å
84	E	88.4	Confident	76	Confident	114 Å²	114	74.8 Å²	74.8	53%	0.533	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.4	173.4	-54.8	-167	133.6	0	0	110.9	I82 Y102 R103	I82-E84 HydrophobicContact CG2-CG 4.28Å; I82-E84 PolarHBondContact O-N 2.85Å; E84-Y102 WeakPolarHBondContact CA-O 3.43Å; E84-R103 HydrophobicContact CG-CG 4.19Å; E84-R103 IonicContact OE1-CZ 3.26Å; E84-R103 IonicContact OE1-NE 3.13Å; E84-R103 PolarHBondContact OE1-NE 3.34Å; E84-R103 IonicContact OE1-NH2 2.72Å
85	L	86.2	Confident	74.1	Confident	7 Å²	7	81.1 Å²	81.1	4%	0.037	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.9	-178.2	-64.9	166.1	0	0	0	110.3	I83 Q101 Y102 R434 A437 Q438 I441	I83-L85 HydrophobicContact CG2-CD1 4.28Å; I83-L85 HydrophobicContact CG2-CG 4.15Å; L85-Q101 WeakPolarHBondContact O-CA 3.33Å; L85-Y102 PolarHBondContact N-O 3.17Å; L85-Y102 PolarHBondContact O-N 2.98Å; L85-R434 HydrophobicContact CD2-CG 3.56Å; L85-A437 HydrophobicContact CD1-CB 3.32Å; L85-Q438 HydrophobicContact CD2-CB 4.39Å; L85-I441 HydrophobicContact CB-CD1 3.62Å; L85-I441 HydrophobicContact CD1-CD1 3.83Å; L85-I441 HydrophobicContact CG-CD1 4.32Å
86	Q	83.1	Confident	72.6	Confident	105 Å²	105	85.7 Å²	85.7	49%	0.491	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.3	172.6	64.2	-176.9	1.4	0	0	109	E88 Q438	Q86-E88 PolarHBondContact O-N 3.21Å; Q86-Q438 PolarHBondContact O-NE2 2.68Å
87	A	75	Confident	71.1	Confident	37 Å²	37	94.1 Å²	94.1	31%	0.306	54%	0.535	S	S	.	.			trans	-65.8	132.1	175.9	0	0	0	0	0	111	I441	A87-I441 HydrophobicContact CB-CG2 3.77Å
88	E	69.9	Low	69.9	Low	140 Å²	140	97.4 Å²	97.4	65%	0.654	56%	0.555	S	S	*	*			trans	-80.7	126.7	170.3	-68.5	-172.3	174.6	0	0	109.6	Q86 Q90 D442	Q86-E88 PolarHBondContact O-N 3.21Å; E88-Q90 PolarHBondContact O-N 2.73Å; E88-D442 PolarHBondContact N-OD1 3Å
89	A	60.3	Low	69.1	Low	84 Å²	84	94.1 Å²	94.1	69%	0.694	54%	0.543	S	S	*	.			trans	-65.2	107.1	177.9	0	0	0	0	0	110.5
90	Q	57.2	Low	68.8	Low	135 Å²	135	92.8 Å²	92.8	63%	0.631	54%	0.538	S	S	*	.			trans	-70.2	143	170.8	-66.8	-178.5	5.6	0	0	109.7	E88 S92	E88-Q90 PolarHBondContact O-N 2.73Å; Q90-S92 PolarHBondContact O-N 3.17Å
91	H	54.4	Low	68.8	Low	208 Å²	208	95.1 Å²	95.1	96%	0.963	55%	0.546	S	S	*	.	S	Bend	trans	-60.5	14.5	-166.9	-65.1	-55.3	0	0	0	118
92	S	51.2	Low	69	Low	103 Å²	103	90.9 Å²	90.9	72%	0.72	52%	0.517	S	S	*	.	S	Bend	trans	-127.1	93	-176.3	43.1	0	0	0	0	111.2	Q90	Q90-S92 PolarHBondContact O-N 3.17Å
93	G	42.1	Very low	69.2	Low	85 Å²	85	90.1 Å²	90.1	88%	0.876	51%	0.508	S	S	*	.	S	Bend	trans	81.1	85.2	154.5	0	0	0	0	0	117.8
94	G	53.4	Low	69.3	Low	64 Å²	64	89.7 Å²	89.7	66%	0.66	51%	0.506	S	S	*	.			trans	114.3	109.2	161.4	0	0	0	0	0	114.3	L96	G94-L96 PolarHBondContact O-N 3.36Å; G94-L96 VanDerWaalsContact O-N 3.13Å
95	I	52.7	Low	69.5	Low	160 Å²	160	88.6 Å²	88.6	82%	0.821	50%	0.5	S	S	*	.			trans	-66.5	106.8	162.1	-62	164.2	0	0	0	105.6	E97	I95-E97 PolarHBondContact O-N 3.47Å
96	L	56	Low	69.7	Low	134 Å²	134	88.7 Å²	88.7	70%	0.702	50%	0.5	S	S	*	.			trans	-65.1	113.8	164.7	-85.5	139.4	0	0	0	106.9	G94 T98	G94-L96 PolarHBondContact O-N 3.36Å; G94-L96 VanDerWaalsContact O-N 3.13Å; L96-T98 PolarHBondContact O-N 2.86Å
97	E	58	Low	70.2	Confident	187 Å²	187	86.8 Å²	86.8	87%	0.874	49%	0.491	S	S	*	.	S	Bend	trans	-59.8	-27.8	179.4	-78.6	-176.8	149.3	0	0	112.2	I95	I95-E97 PolarHBondContact O-N 3.47Å
98	T	64.9	Low	71	Confident	69 Å²	69	89.2 Å²	89.2	42%	0.423	50%	0.496	S	S	.	.	S	Bend	trans	-129.8	82.7	179.7	45.6	0	0	0	0	111.2	L96 V100 D153	L96-T98 PolarHBondContact O-N 2.86Å; T98-V100 PolarHBondContact O-N 2.94Å; T98-D153 PolarHBondContact OG1-OD1 2.88Å
99	P	71	Confident	72.2	Confident	45 Å²	45	83.5 Å²	83.5	29%	0.292	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-65.7	136.4	175.3	28.2	-33.5	0	0	0	110	Q101	P99-Q101 PolarHBondContact O-N 2.95Å
100	V	78.2	Confident	73.8	Confident	45 Å²	45	83.9 Å²	83.9	27%	0.273	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-58.1	121.6	176.5	-177	0	0	0	0	109.9	T98 Y102 I150 I151 R152	T98-V100 PolarHBondContact O-N 2.94Å; V100-Y102 HydrophobicContact CB-CE2 4.07Å; V100-Y102 HydrophobicContact CG1-CD2 4.1Å; V100-Y102 HydrophobicContact CG1-CE2 3.44Å; V100-Y102 VanDerWaalsContact CG1-CE2 3.44Å; V100-I150 HydrophobicContact CG1-CG2 3.88Å; V100-I151 WeakPolarHBondContact CA-O 3.41Å; V100-R152 HydrophobicContact CB-CG 4.23Å; V100-R152 HydrophobicContact CG1-CG 3.52Å; V100-R152 HydrophobicContact CG2-CG 3.82Å
101	Q	83.8	Confident	75.5	Confident	71 Å²	71	79.3 Å²	79.3	33%	0.332	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.5	177.4	-59.3	-176.3	-7.6	0	0	110.5	L85 P99 I151	L85-Q101 WeakPolarHBondContact O-CA 3.33Å; P99-Q101 PolarHBondContact O-N 2.95Å; Q101-I151 HydrophobicContact CB-CB 4.21Å; Q101-I151 PolarHBondContact N-O 3.44Å; Q101-I151 PolarHBondContact O-N 3.04Å
102	Y	87.7	Confident	77.2	Confident	13 Å²	13	71.9 Å²	71.9	5%	0.051	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.8	175.8	-65.2	-97.1	0	0	0	109.3	E84 L85 V100 I150 I441 F447	E84-Y102 WeakPolarHBondContact CA-O 3.43Å; L85-Y102 PolarHBondContact N-O 3.17Å; L85-Y102 PolarHBondContact O-N 2.98Å; V100-Y102 HydrophobicContact CB-CE2 4.07Å; V100-Y102 HydrophobicContact CG1-CD2 4.1Å; V100-Y102 HydrophobicContact CG1-CE2 3.44Å; V100-Y102 VanDerWaalsContact CG1-CE2 3.44Å; Y102-I150 HydrophobicContact CD1-CD1 4.44Å; Y102-I150 HydrophobicContact CD1-CG1 3.93Å; Y102-I150 HydrophobicContact CD1-CG2 4.19Å; Y102-I150 HydrophobicContact CE1-CD1 4.06Å; Y102-I150 HydrophobicContact CE1-CG1 4Å; Y102-I150 HydrophobicContact CE1-CG2 3.88Å; Y102-I441 HydrophobicContact CD2-CD1 3.58Å; Y102-I441 HydrophobicContact CD2-CG1 3.95Å; Y102-I441 HydrophobicContact CD2-CG2 4.48Å; Y102-I441 HydrophobicContact CE2-CD1 4.07Å; Y102-I441 HydrophobicContact CE2-CG1 3.88Å; Y102-I441 HydrophobicContact CE2-CG2 4.27Å; Y102-I441 HydrophobicContact CG-CD1 4.05Å; Y102-F447 AromaticContact CD1-CE1 3.77Å; Y102-F447 HydrophobicContact CD1-CE1 3.77Å; Y102-F447 HydrophobicContact CD1-CZ 4.45Å; Y102-F447 HydrophobicContact CE1-CE1 4.17Å; Y102-F447 HydrophobicContact CG-CE1 4.15Å
103	R	90.4	Very high	79.1	Confident	76 Å²	76	73.6 Å²	73.6	29%	0.287	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.7	172.3	-59	-169.7	177.6	129.9	13.6	110.6	I82 I83 E84 K149	I82-R103 HydrophobicContact CG2-CB 4.12Å; I83-R103 WeakPolarHBondContact O-CA 3.35Å; E84-R103 HydrophobicContact CG-CG 4.19Å; E84-R103 IonicContact OE1-CZ 3.26Å; E84-R103 IonicContact OE1-NE 3.13Å; E84-R103 PolarHBondContact OE1-NE 3.34Å; E84-R103 IonicContact OE1-NH2 2.72Å; R103-K149 HydrophobicContact CB-CB 4.26Å; R103-K149 PolarHBondContact N-O 3.45Å; R103-K149 PolarHBondContact O-N 2.88Å
104	L	90.9	Very high	81.5	Confident	1 Å²	1	69.8 Å²	69.8	1%	0.005	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.2	173.9	-57.8	171.4	0	0	0	109.8	I83 M147 K148 I433 F447 L449	I83-L104 HydrophobicContact CB-CB 4.19Å; I83-L104 HydrophobicContact CD1-CB 4.48Å; I83-L104 HydrophobicContact CD1-CD1 4.35Å; I83-L104 PolarHBondContact N-O 3.09Å; I83-L104 VanDerWaalsContact N-O 3.07Å; I83-L104 PolarHBondContact O-N 3.13Å; L104-M147 WeakPolarHBondContact CA-O 3.49Å; L104-K148 HydrophobicContact CD2-CB 3.91Å; L104-K148 HydrophobicContact CD2-CG 3.83Å; L104-I433 HydrophobicContact CD1-CG2 3.94Å; L104-F447 HydrophobicContact CD1-CE2 4.21Å; L104-F447 HydrophobicContact CD1-CZ 4.17Å; L104-F447 HydrophobicContact CD2-CZ 4.3Å; L104-L449 HydrophobicContact CD1-CD1 4.2Å
105	K	92.5	Very high	83.3	Confident	92 Å²	92	68 Å²	68	40%	0.4	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.8	175.6	-177.3	-171.8	173.3	-151.2	0	109.6	E107 V146 M147	K105-E107 HydrophobicContact CD-CG 4.48Å; K105-E107 HydrophobicContact CG-CG 4.44Å; K105-E107 IonicContact NZ-OE1 3.36Å; K105-E107 PolarHBondContact NZ-OE1 2.94Å; K105-V146 CarbonylContact O-C 3.54Å; K105-V146 WeakPolarHBondContact O-CA 3.22Å; K105-M147 HydrophobicContact CB-CB 4.35Å; K105-M147 PolarHBondContact N-O 3.12Å; K105-M147 PolarHBondContact O-N 2.87Å
106	F	92	Very high	85.1	Confident	9 Å²	9	60.8 Å²	60.8	4%	0.039	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	140.2	173.8	-60	-84.1	0	0	0	109.4	V77 I83 V144 V146 F426 I433	V77-F106 HydrophobicContact CG1-CB 3.41Å; V77-F106 VanDerWaalsContact CG1-CB 3.41Å; V77-F106 HydrophobicContact CG1-CG 4.39Å; I83-F106 HydrophobicContact CD1-CE2 4.05Å; I83-F106 HydrophobicContact CD1-CZ 4.42Å; F106-V144 HydrophobicContact CB-CG2 4.28Å; F106-V144 HydrophobicContact CD1-CG1 4Å; F106-V144 HydrophobicContact CD1-CG2 4.32Å; F106-V144 HydrophobicContact CE1-CG1 4.48Å; F106-V146 HydrophobicContact CD1-CG1 4.46Å; F106-V146 HydrophobicContact CD1-CG2 3.71Å; F106-V146 HydrophobicContact CE1-CG1 4.42Å; F106-V146 HydrophobicContact CE1-CG2 3.85Å; F106-F426 HydrophobicContact CD1-CZ 4.35Å; F106-F426 HydrophobicContact CD2-CZ 4.05Å; F106-F426 HydrophobicContact CE2-CZ 4.34Å; F106-F426 HydrophobicContact CG-CZ 4.07Å; F106-I433 HydrophobicContact CZ-CD1 3.94Å
107	E	91.7	Very high	86.6	Confident	64 Å²	64	60.3 Å²	60.3	30%	0.299	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-119.1	-174.1	-58.9	-166.2	144.5	0	0	111.4	Q74 K105 D145 M147	Q74-E107 PolarHBondContact NE2-O 2.87Å; K105-E107 HydrophobicContact CD-CG 4.48Å; K105-E107 HydrophobicContact CG-CG 4.44Å; K105-E107 IonicContact NZ-OE1 3.36Å; K105-E107 PolarHBondContact NZ-OE1 2.94Å; E107-D145 HydrophobicContact CB-CB 4.39Å; E107-D145 PolarHBondContact N-O 3.17Å; E107-M147 WeakPolarHBondContact OE1-CE 3.23Å
108	Q	93.3	Very high	87.9	Confident	88 Å²	88	54.3 Å²	54.3	41%	0.411	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	139.3	-174.2	-174	60.9	33.3	0	0	112.1	Y110 V144 D145	Q108-Y110 HydrophobicContact CB-CE2 4.38Å; Q108-Y110 HydrophobicContact CG-CE1 4.01Å; Q108-Y110 HydrophobicContact CG-CE2 4.19Å; Q108-V144 WeakPolarHBondContact O-CA 3.41Å; Q108-D145 PolarHBondContact O-N 2.92Å
109	I	93.7	Very high	88.6	Confident	20 Å²	20	58.2 Å²	58.2	10%	0.103	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	143.3	174.2	-58.4	174.1	0	0	0	110.3	I73 V77 L142 Y143 V144	I73-I109 HydrophobicContact CB-CD1 4.3Å; I73-I109 HydrophobicContact CG2-CD1 3.34Å; V77-I109 HydrophobicContact CB-CD1 3.79Å; V77-I109 HydrophobicContact CB-CG1 4.32Å; V77-I109 HydrophobicContact CG1-CD1 4.39Å; V77-I109 HydrophobicContact CG1-CG1 4.42Å; V77-I109 HydrophobicContact CG2-CD1 3.34Å; V77-I109 HydrophobicContact CG2-CG1 4.12Å; I109-L142 HydrophobicContact CG2-CD1 3.27Å; I109-L142 HydrophobicContact CG2-CG 4.02Å; I109-Y143 WeakPolarHBondContact CA-O 3.45Å; I109-V144 HydrophobicContact CG1-CG2 4.11Å
110	Y	94.8	Very high	89.2	Confident	92 Å²	92	62.2 Å²	62.2	36%	0.361	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.7	171.8	-54.4	-81	0	0	0	110.8	Q108 Y143 D145 K163	Q108-Y110 HydrophobicContact CB-CE2 4.38Å; Q108-Y110 HydrophobicContact CG-CE1 4.01Å; Q108-Y110 HydrophobicContact CG-CE2 4.19Å; Y110-Y143 PolarHBondContact N-O 3.42Å; Y110-Y143 PolarHBondContact O-N 3.03Å; Y110-D145 WeakPolarHBondContact CE2-OD1 3.34Å; Y110-D145 WeakPolarHBondContact CE2-OD2 3.47Å; Y110-D145 PolarHBondContact OH-OD2 3.41Å; Y110-K163 HydrophobicContact CD2-CG 3.99Å; Y110-K163 HydrophobicContact CE2-CG 4.13Å
111	L	92.7	Very high	89.4	Confident	40 Å²	40	62.4 Å²	62.4	21%	0.209	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.8	173	-174.7	70.5	0	0	0	109.5	I69 A140 L142 I171 Y177	I69-L111 HydrophobicContact CD1-CD2 4.24Å; I69-L111 HydrophobicContact CG2-CD2 3.45Å; I69-L111 VanDerWaalsContact CG2-CD2 3.45Å; L111-A140 HydrophobicContact CD1-CB 3.85Å; L111-A140 HydrophobicContact CG-CB 4.31Å; L111-L142 HydrophobicContact CB-CD1 4.34Å; L111-L142 HydrophobicContact CD1-CD1 3.95Å; L111-I171 HydrophobicContact CD2-CD1 3.94Å; L111-Y177 HydrophobicContact CD2-CD1 3.93Å; L111-Y177 HydrophobicContact CD2-CE1 4.4Å; L111-Y177 HydrophobicContact CD2-CG 4.03Å
112	S	90.9	Very high	89.6	Confident	51 Å²	51	61.1 Å²	61.1	36%	0.357	30%	0.299	S	S	.	.			trans	-83.9	176.1	173.3	-172.8	0	0	0	0	111.6	A140 P141	S112-A140 WeakPolarHBondContact O-CB 3.43Å; S112-P141 PolarHBondContact N-O 3.32Å; S112-P141 VanDerWaalsContact N-O 3.11Å
113	K	90.9	Very high	89.6	Confident	140 Å²	140	63.9 Å²	63.9	61%	0.609	32%	0.321	S	S	*	.			trans	-72.2	163.6	165.8	-68.4	-172.4	178	-177.6	0	110.6	T115 P141	K113-T115 PolarHBondContact O-N 2.79Å; K113-P141 WeakPolarHBondContact O-CD 3.19Å
114	A	92.9	Very high	89.5	Confident	5 Å²	5	63.6 Å²	63.6	4%	0.041	33%	0.327	C	S	.	.			trans	-60.9	119	177.5	0	0	0	0	0	110.9	M126 Y138	A114-M126 PolarHBondContact O-N 2.97Å; A114-Y138 HydrophobicContact CB-CD2 4.09Å; A114-Y138 HydrophobicContact CB-CE1 4Å; A114-Y138 HydrophobicContact CB-CE2 3.52Å; A114-Y138 VanDerWaalsContact CB-CZ 3.46Å
115	T	91.5	Very high	89.5	Confident	25 Å²	25	67.7 Å²	67.7	15%	0.153	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.5	-175.8	45	0	0	0	0	110.9	K113 P141	K113-T115 PolarHBondContact O-N 2.79Å; T115-P141 VanDerWaalsContact OG1-CD 3.27Å; T115-P141 WeakPolarHBondContact OG1-CD 3.36Å; T115-P141 WeakPolarHBondContact OG1-CG 3.5Å
116	H	89.1	Confident	89.5	Confident	10 Å²	10	63.6 Å²	63.6	5%	0.046	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	142.4	169.9	-165.3	48.2	0	0	0	109.7	E118 S123 V124 M126	H116-E118 IonicContact CD2-OE1 3.02Å; H116-E118 PolarHBondContact CD2-OE1 3.17Å; H116-E118 IonicContact NE2-OE1 2.79Å; H116-E118 IonicContact NE2-OE2 3.45Å; H116-S123 WeakPolarHBondContact O-CA 3.35Å; H116-V124 PolarHBondContact N-O 3.16Å; H116-V124 PolarHBondContact O-N 3.3Å; H116-M126 HydrophobicContact CB-CB 4.39Å; H116-M126 HydrophobicContact CB-CE 3.5Å; H116-M126 VanDerWaalsContact CB-CE 3.5Å
117	W	88.2	Confident	89.5	Confident	123 Å²	123	65.1 Å²	65.1	47%	0.466	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.2	171.1	-70.4	100.2	0	0	0	106.7	G121 S122 S123	W117-G121 VanDerWaalsContact CE3-O 3.27Å; W117-G121 WeakPolarHBondContact CZ3-O 3.45Å; W117-S122 WeakPolarHBondContact CA-O 3.46Å; W117-S123 VanDerWaalsContact CH2-CB 3.43Å
118	E	84.5	Confident	89.7	Confident	62 Å²	62	62.1 Å²	62.1	29%	0.29	33%	0.332	S	S	.	.			trans	-74	165.1	174.3	-69.1	-67	171.4	0	0	110	H116 D120 G121 S122 R134	H116-E118 IonicContact CD2-OE1 3.02Å; H116-E118 PolarHBondContact CD2-OE1 3.17Å; H116-E118 IonicContact NE2-OE1 2.79Å; H116-E118 IonicContact NE2-OE2 3.45Å; E118-D120 WeakPolarHBondContact CB-OD1 3.47Å; E118-D120 PolarHBondContact O-N 2.97Å; E118-G121 PolarHBondContact O-N 3.15Å; E118-S122 PolarHBondContact N-O 3.48Å; E118-R134 IonicContact OE1-CZ 2.72Å; E118-R134 VanDerWaalsContact OE1-CZ 3.27Å; E118-R134 IonicContact OE1-NH1 3.3Å; E118-R134 PolarHBondContact OE1-NH1 2.77Å; E118-R134 IonicContact OE1-NH2 3.98Å; E118-R134 PolarHBondContact OE1-NH2 3.17Å; E118-R134 IonicContact OE2-NH2 3.45Å; E118-R134 PolarHBondContact OE2-NH2 3.3Å
119	K	80.9	Confident	89.7	Confident	150 Å²	150	58.5 Å²	58.5	65%	0.652	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.1	179.9	-84.9	-170.8	167.4	176.5	0	113.8	G121 E931 G932	K119-G121 PolarHBondContact O-N 3.1Å; K119-E931 VanDerWaalsContact CE-C 3.42Å; K119-E931 WeakPolarHBondContact CE-O 3.24Å; K119-E931 PolarHBondContact NZ-O 3.24Å; K119-G932 VanDerWaalsContact NZ-C 3.26Å; K119-G932 PolarHBondContact NZ-O 3.08Å
120	D	83	Confident	89.7	Confident	129 Å²	129	59.9 Å²	59.9	69%	0.69	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-5.4	175.3	65.1	-5.2	0	0	0	112.9	E118 S122	E118-D120 WeakPolarHBondContact CB-OD1 3.47Å; E118-D120 PolarHBondContact O-N 2.97Å; D120-S122 VanDerWaalsContact C-N 3.35Å; D120-S122 WeakPolarHBondContact OD1-CB 3.44Å; D120-S122 PolarHBondContact OD1-N 3.33Å; D120-S122 PolarHBondContact OD1-OG 3.27Å; D120-S122 PolarHBondContact OD2-OG 3.29Å
121	G	82.4	Confident	89.7	Confident	49 Å²	49	55.5 Å²	55.5	51%	0.505	31%	0.306	S	S	.	.	S	Bend	trans	85.1	4.9	-178	0	0	0	0	0	113.7	W117 E118 K119	W117-G121 VanDerWaalsContact CE3-O 3.27Å; W117-G121 WeakPolarHBondContact CZ3-O 3.45Å; E118-G121 PolarHBondContact O-N 3.15Å; K119-G121 PolarHBondContact O-N 3.1Å
122	S	88	Confident	89.8	Confident	45 Å²	45	54.2 Å²	54.2	32%	0.315	30%	0.299	S	S	.	.			trans	-74	142.4	175	67.7	0	0	0	0	111.6	W117 E118 D120	W117-S122 WeakPolarHBondContact CA-O 3.46Å; E118-S122 PolarHBondContact N-O 3.48Å; D120-S122 VanDerWaalsContact C-N 3.35Å; D120-S122 WeakPolarHBondContact OD1-CB 3.44Å; D120-S122 PolarHBondContact OD1-N 3.33Å; D120-S122 PolarHBondContact OD1-OG 3.27Å; D120-S122 PolarHBondContact OD2-OG 3.29Å
123	S	87.5	Confident	89.9	Confident	71 Å²	71	53.3 Å²	53.3	50%	0.497	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.7	176	82.7	0	0	0	0	110.1	H116 W117	H116-S123 WeakPolarHBondContact O-CA 3.35Å; W117-S123 VanDerWaalsContact CH2-CB 3.43Å
124	V	88.8	Confident	90	Very high	69 Å²	69	47.8 Å²	47.8	42%	0.418	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136.7	177.5	-174.8	0	0	0	0	109.1	H116 M126	H116-V124 PolarHBondContact N-O 3.16Å; H116-V124 PolarHBondContact O-N 3.3Å; V124-M126 PolarHBondContact O-N 3.35Å
125	P	90.5	Very high	90	Very high	88 Å²	88	49 Å²	49	57%	0.571	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	125.7	170	25.6	-33.8	0	0	0	109.5
126	M	91.6	Very high	90.1	Very high	6 Å²	6	48 Å²	48	3%	0.03	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-81.8	130	-177.6	-172	-177.9	-69.1	0	0	109.3	A114 H116 V124 A131 L136 Y138	A114-M126 PolarHBondContact O-N 2.97Å; H116-M126 HydrophobicContact CB-CB 4.39Å; H116-M126 HydrophobicContact CB-CE 3.5Å; H116-M126 VanDerWaalsContact CB-CE 3.5Å; V124-M126 PolarHBondContact O-N 3.35Å; M126-A131 HydrophobicContact CG-CB 4.22Å; M126-A131 HydrophobicContact SD-CB 3.71Å; M126-L136 HydrophobicContact CE-CB 4.12Å; M126-L136 HydrophobicContact CE-CD1 3.91Å; M126-L136 HydrophobicContact SD-CB 4.33Å; M126-Y138 HydrophobicContact CB-CD2 4.44Å; M126-Y138 HydrophobicContact CB-CE2 4.45Å; M126-Y138 HydrophobicContact CG-CD2 4.07Å; M126-Y138 HydrophobicContact CG-CE2 4.49Å; M126-Y138 WeakPolarHBondContact O-CE2 3.47Å; M126-Y138 HydrophobicContact SD-CD2 3.91Å
127	T	92.9	Very high	90.4	Very high	40 Å²	40	48.8 Å²	48.8	25%	0.245	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-89.3	147.9	167.8	66.3	0	0	0	0	110.1	N129 D130 A131 L179 L191	T127-N129 VanDerWaalsContact C-N 3.32Å; T127-N129 PolarHBondContact O-N 3.43Å; T127-D130 PolarHBondContact O-N 3.18Å; T127-D130 VanDerWaalsContact OG1-CB 3.25Å; T127-D130 WeakPolarHBondContact OG1-CB 3.4Å; T127-D130 PolarHBondContact OG1-N 2.92Å; T127-A131 PolarHBondContact O-N 3.1Å; T127-A131 VanDerWaalsContact O-N 3.09Å; T127-L179 HydrophobicContact CG2-CD2 4.49Å; T127-L191 HydrophobicContact CG2-CD2 4.33Å
128	P	95.1	Very high	90.8	Very high	1 Å²	1	43 Å²	43	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-58.5	-40.5	177	-30.5	40.1	0	0	0	113.5	A131 R132 Y138 L173 L180 I203	P128-A131 WeakPolarHBondContact O-CB 3.38Å; P128-A131 PolarHBondContact O-N 2.93Å; P128-R132 WeakPolarHBondContact O-CG 3.37Å; P128-R132 PolarHBondContact O-N 3.29Å; P128-R132 VanDerWaalsContact O-N 3.12Å; P128-Y138 HydrophobicContact CG-CD2 4.33Å; P128-Y138 HydrophobicContact CG-CE2 3.81Å; P128-L173 HydrophobicContact CB-CD1 4.15Å; P128-L173 HydrophobicContact CB-CD2 3.73Å; P128-L173 HydrophobicContact CG-CD2 3.58Å; P128-L180 HydrophobicContact CB-CD1 4.43Å; P128-L180 HydrophobicContact CG-CD1 3.81Å; P128-L180 HydrophobicContact CG-CD2 4.33Å; P128-L180 HydrophobicContact CG-CG 3.98Å; P128-I203 HydrophobicContact CB-CD1 3.83Å; P128-I203 WeakPolarHBondContact O-CD1 3.3Å
129	N	94.4	Very high	91.3	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.064	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-44.1	177.2	-161.9	39.7	0	0	0	112.4	T127 A131 R132 L133 E193	T127-N129 VanDerWaalsContact C-N 3.32Å; T127-N129 PolarHBondContact O-N 3.43Å; N129-A131 VanDerWaalsContact C-N 3.28Å; N129-A131 PolarHBondContact O-N 3.34Å; N129-R132 WeakPolarHBondContact O-CB 3.36Å; N129-R132 PolarHBondContact O-N 2.81Å; N129-R132 VanDerWaalsContact O-N 3.11Å; N129-R132 PolarHBondContact OD1-NH1 3.45Å; N129-R132 VanDerWaalsContact OD1-NH1 3.11Å; N129-L133 WeakPolarHBondContact O-CG 3.49Å; N129-L133 PolarHBondContact O-N 3.16Å; N129-E193 WeakPolarHBondContact CB-OE1 3.23Å; N129-E193 PolarHBondContact N-OE1 2.93Å
130	D	92.7	Very high	92	Very high	49 Å²	49	33.2 Å²	33.2	26%	0.262	21%	0.206	S	C	.	.	H	α-helix	trans	-60.6	-40.9	176.5	-171.1	37.6	0	0	0	111.3	T127 R132 L133 R134	T127-D130 PolarHBondContact O-N 3.18Å; T127-D130 VanDerWaalsContact OG1-CB 3.25Å; T127-D130 WeakPolarHBondContact OG1-CB 3.4Å; T127-D130 PolarHBondContact OG1-N 2.92Å; D130-R132 VanDerWaalsContact C-N 3.3Å; D130-R132 PolarHBondContact O-N 3.14Å; D130-L133 PolarHBondContact O-N 3.24Å; D130-R134 WeakPolarHBondContact O-CB 3.44Å; D130-R134 PolarHBondContact O-N 3.49Å; D130-R134 WeakPolarHBondContact OD1-CD 3.36Å; D130-R134 WeakPolarHBondContact OD1-CG 3.41Å; D130-R134 IonicContact OD2-NH1 2.73Å
131	A	94.6	Very high	92.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.4	-38.2	175.3	0	0	0	0	0	113.1	M126 T127 P128 N129 N135 L136 Y138 I203	M126-A131 HydrophobicContact CG-CB 4.22Å; M126-A131 HydrophobicContact SD-CB 3.71Å; T127-A131 PolarHBondContact O-N 3.1Å; T127-A131 VanDerWaalsContact O-N 3.09Å; P128-A131 WeakPolarHBondContact O-CB 3.38Å; P128-A131 PolarHBondContact O-N 2.93Å; N129-A131 VanDerWaalsContact C-N 3.28Å; N129-A131 PolarHBondContact O-N 3.34Å; A131-N135 PolarHBondContact O-N 3.28Å; A131-L136 HydrophobicContact CB-CB 4.36Å; A131-L136 PolarHBondContact O-N 2.95Å; A131-Y138 HydrophobicContact CB-CD2 4.33Å; A131-I203 HydrophobicContact CB-CG2 4.04Å
132	R	94.7	Very high	93.2	Very high	14 Å²	14	24.9 Å²	24.9	5%	0.053	15%	0.15	C	C	.	.	H	α-helix	trans	-67.9	-46.1	174.8	-61.9	178.2	-147.5	128.2	-1.7	111.8	P128 N129 D130 E193 I203 E208 R760 K937	P128-R132 WeakPolarHBondContact O-CG 3.37Å; P128-R132 PolarHBondContact O-N 3.29Å; P128-R132 VanDerWaalsContact O-N 3.12Å; N129-R132 WeakPolarHBondContact O-CB 3.36Å; N129-R132 PolarHBondContact O-N 2.81Å; N129-R132 VanDerWaalsContact O-N 3.11Å; N129-R132 PolarHBondContact OD1-NH1 3.45Å; N129-R132 VanDerWaalsContact OD1-NH1 3.11Å; D130-R132 VanDerWaalsContact C-N 3.3Å; D130-R132 PolarHBondContact O-N 3.14Å; R132-E193 IonicContact CZ-OE1 2.78Å; R132-E193 IonicContact CZ-OE2 2.82Å; R132-E193 IonicContact NH1-OE1 3.4Å; R132-E193 PolarHBondContact NH1-OE1 3.37Å; R132-E193 VanDerWaalsContact NH1-OE1 3.14Å; R132-E193 IonicContact NH1-OE2 3.93Å; R132-E193 PolarHBondContact NH1-OE2 2.83Å; R132-E193 IonicContact NH2-OE1 3.73Å; R132-E193 PolarHBondContact NH2-OE1 3.27Å; R132-E193 IonicContact NH2-OE2 3.95Å; R132-E193 PolarHBondContact NH2-OE2 2.85Å; R132-I203 HydrophobicContact CG-CD1 3.74Å; R132-I203 HydrophobicContact CG-CG1 4.25Å; R132-I203 HydrophobicContact CG-CG2 4.26Å; R132-E208 IonicContact NE-OE1 2.71Å; R132-R760 VanDerWaalsContact NE-NH1 3.16Å; R132-K937 PolarHBondContact O-NZ 3.49Å
133	L	94.2	Very high	93.5	Very high	32 Å²	32	25.9 Å²	25.9	17%	0.168	15%	0.147	C	C	.	.	H	α-helix	trans	-66.7	-50.5	-175.2	-68.4	-179.6	0	0	0	111.1	N129 D130 N135 M761 M925 K937	N129-L133 WeakPolarHBondContact O-CG 3.49Å; N129-L133 PolarHBondContact O-N 3.16Å; D130-L133 PolarHBondContact O-N 3.24Å; L133-N135 VanDerWaalsContact C-N 3.26Å; L133-N135 PolarHBondContact O-N 3.27Å; L133-M761 HydrophobicContact CD2-CB 3.98Å; L133-M761 HydrophobicContact CD2-CG 3.76Å; L133-M925 HydrophobicContact CB-CE 4.28Å; L133-M925 HydrophobicContact CB-SD 3.82Å; L133-M925 HydrophobicContact CD1-SD 4.28Å; L133-M925 HydrophobicContact CD2-SD 3.94Å; L133-M925 HydrophobicContact CG-SD 4.22Å; L133-M925 WeakPolarHBondContact O-CE 3.49Å; L133-K937 WeakPolarHBondContact O-CE 3.48Å; L133-K937 PolarHBondContact O-NZ 3.28Å
134	R	92.8	Very high	93.8	Very high	23 Å²	23	22.5 Å²	22.5	9%	0.087	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	4.8	-177.9	-66.6	178.1	67.1	-175	4.9	115.1	E118 D130 L136 T927 W928	E118-R134 IonicContact OE1-CZ 2.72Å; E118-R134 VanDerWaalsContact OE1-CZ 3.27Å; E118-R134 IonicContact OE1-NH1 3.3Å; E118-R134 PolarHBondContact OE1-NH1 2.77Å; E118-R134 IonicContact OE1-NH2 3.98Å; E118-R134 PolarHBondContact OE1-NH2 3.17Å; E118-R134 IonicContact OE2-NH2 3.45Å; E118-R134 PolarHBondContact OE2-NH2 3.3Å; D130-R134 WeakPolarHBondContact O-CB 3.44Å; D130-R134 PolarHBondContact O-N 3.49Å; D130-R134 WeakPolarHBondContact OD1-CD 3.36Å; D130-R134 WeakPolarHBondContact OD1-CG 3.41Å; D130-R134 IonicContact OD2-NH1 2.73Å; R134-L136 HydrophobicContact CB-CD1 3.96Å; R134-L136 HydrophobicContact CB-CD2 4.36Å; R134-L136 HydrophobicContact CB-CG 3.71Å; R134-L136 PolarHBondContact O-N 3.44Å; R134-T927 HydrophobicContact CG-CG2 4.05Å; R134-T927 WeakPolarHBondContact CG-OG1 3.43Å; R134-W928 PolarHBondContact NE-O 3.28Å
135	N	92.9	Very high	94.1	Very high	32 Å²	32	20.3 Å²	20.3	17%	0.171	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	37.1	-172.3	-61.2	-21	0	0	0	113.5	A131 L133 N205 F935 K937	A131-N135 PolarHBondContact O-N 3.28Å; L133-N135 VanDerWaalsContact C-N 3.26Å; L133-N135 PolarHBondContact O-N 3.27Å; N135-N205 CarbonylContact O-C 3.59Å; N135-N205 VanDerWaalsContact O-CA 3.3Å; N135-N205 WeakPolarHBondContact O-CA 3.25Å; N135-F935 WeakPolarHBondContact ND2-CE2 3.29Å; N135-F935 WeakPolarHBondContact ND2-CZ 3.4Å; N135-K937 WeakPolarHBondContact OD1-CE 3.45Å; N135-K937 PolarHBondContact OD1-NZ 3.24Å
136	L	93.5	Very high	94.2	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	8%	0.083	C	C	.	.			trans	-82.8	169.9	175.4	-53.9	175.2	0	0	0	110.5	M126 A131 R134 N205 G206 N930	M126-L136 HydrophobicContact CE-CB 4.12Å; M126-L136 HydrophobicContact CE-CD1 3.91Å; M126-L136 HydrophobicContact SD-CB 4.33Å; A131-L136 HydrophobicContact CB-CB 4.36Å; A131-L136 PolarHBondContact O-N 2.95Å; R134-L136 HydrophobicContact CB-CD1 3.96Å; R134-L136 HydrophobicContact CB-CD2 4.36Å; R134-L136 HydrophobicContact CB-CG 3.71Å; R134-L136 PolarHBondContact O-N 3.44Å; L136-N205 PolarHBondContact O-N 2.73Å; L136-G206 PolarHBondContact O-N 3.01Å; L136-N930 HydrophobicContact CD2-CB 3.7Å
137	T	95.5	Very high	94.2	Very high	27 Å²	27	18.3 Å²	18.3	17%	0.166	9%	0.093	C	C	.	.			trans	-103.3	123	169.8	-60	0	0	0	0	107.9	A139 I204 N205	T137-A139 HydrophobicContact CG2-CB 4.26Å; T137-A139 PolarHBondContact O-N 2.84Å; T137-I204 HydrophobicContact CG2-CB 4.46Å; T137-I204 HydrophobicContact CG2-CG1 4.3Å; T137-I204 HydrophobicContact CG2-CG2 4.23Å; T137-N205 PolarHBondContact OG1-N 3.48Å; T137-N205 PolarHBondContact OG1-OD1 2.92Å
138	Y	96.3	Very high	94.1	Very high	2 Å²	2	17 Å²	17	1%	0.008	8%	0.084	C	C	.	.			trans	-77.2	94.2	179	-172.8	-100.4	0	0	0	109.3	A114 M126 P128 A131 P170 I171 L173 L179 I203	A114-Y138 HydrophobicContact CB-CD2 4.09Å; A114-Y138 HydrophobicContact CB-CE1 4Å; A114-Y138 HydrophobicContact CB-CE2 3.52Å; A114-Y138 VanDerWaalsContact CB-CZ 3.46Å; M126-Y138 HydrophobicContact CB-CD2 4.44Å; M126-Y138 HydrophobicContact CB-CE2 4.45Å; M126-Y138 HydrophobicContact CG-CD2 4.07Å; M126-Y138 HydrophobicContact CG-CE2 4.49Å; M126-Y138 WeakPolarHBondContact O-CE2 3.47Å; M126-Y138 HydrophobicContact SD-CD2 3.91Å; P128-Y138 HydrophobicContact CG-CD2 4.33Å; P128-Y138 HydrophobicContact CG-CE2 3.81Å; A131-Y138 HydrophobicContact CB-CD2 4.33Å; Y138-P170 WeakPolarHBondContact O-CA 3.46Å; Y138-I171 HydrophobicContact CD1-CB 3.97Å; Y138-I171 HydrophobicContact CD1-CG2 4.5Å; Y138-I171 HydrophobicContact CE1-CB 3.82Å; Y138-I171 HydrophobicContact CE1-CG2 3.92Å; Y138-I171 PolarHBondContact O-N 3.27Å; Y138-L173 HydrophobicContact CD1-CD2 3.79Å; Y138-L173 HydrophobicContact CE1-CD2 3.75Å; Y138-L173 HydrophobicContact CG-CD2 4.4Å; Y138-L179 PolarHBondContact OH-N 3.25Å; Y138-I203 PolarHBondContact N-O 3.01Å
139	A	95.6	Very high	93.8	Very high	7 Å²	7	18.4 Å²	18.4	6%	0.058	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.1	-172.9	0	0	0	0	0	111.4	T137 K168 I169	T137-A139 HydrophobicContact CG2-CB 4.26Å; T137-A139 PolarHBondContact O-N 2.84Å; A139-K168 HydrophobicContact CB-CB 4.02Å; A139-I169 CarbonylContact C-O 3.58Å; A139-I169 WeakPolarHBondContact CA-O 3.41Å; A139-I169 WeakPolarHBondContact CB-O 3.43Å
140	A	95.1	Very high	93.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	144.5	176.2	0	0	0	0	0	111.4	L111 S112 K168 I169 I171	L111-A140 HydrophobicContact CD1-CB 3.85Å; L111-A140 HydrophobicContact CG-CB 4.31Å; S112-A140 WeakPolarHBondContact O-CB 3.43Å; A140-K168 CarbonylContact O-C 3.42Å; A140-K168 VanDerWaalsContact O-CA 3.23Å; A140-K168 WeakPolarHBondContact O-CA 3.45Å; A140-I169 PolarHBondContact N-O 2.84Å; A140-I169 PolarHBondContact O-N 3.19Å; A140-I171 HydrophobicContact CB-CD1 3.82Å; A140-I171 HydrophobicContact CB-CG1 3.63Å
141	P	95.3	Very high	93.1	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	138.7	175.3	29.2	-30.8	0	0	0	111.4	S112 K113 T115 Y143 F165	S112-P141 PolarHBondContact N-O 3.32Å; S112-P141 VanDerWaalsContact N-O 3.11Å; K113-P141 WeakPolarHBondContact O-CD 3.19Å; T115-P141 VanDerWaalsContact OG1-CD 3.27Å; T115-P141 WeakPolarHBondContact OG1-CD 3.36Å; T115-P141 WeakPolarHBondContact OG1-CG 3.5Å; P141-Y143 HydrophobicContact CB-CE2 3.83Å; P141-Y143 HydrophobicContact CG-CE2 3.99Å; P141-F165 HydrophobicContact CB-CD2 4.12Å; P141-F165 HydrophobicContact CB-CE2 3.63Å
142	L	95.2	Very high	92.3	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.8	-179.5	-171.6	70.5	0	0	0	109.7	I109 L111 I166 G167 I169 F422	I109-L142 HydrophobicContact CG2-CD1 3.27Å; I109-L142 HydrophobicContact CG2-CG 4.02Å; L111-L142 HydrophobicContact CB-CD1 4.34Å; L111-L142 HydrophobicContact CD1-CD1 3.95Å; L142-I166 HydrophobicContact CB-CG1 4.08Å; L142-I166 HydrophobicContact CD2-CD1 3.41Å; L142-I166 VanDerWaalsContact CD2-CD1 3.41Å; L142-I166 HydrophobicContact CD2-CG1 3.77Å; L142-I166 HydrophobicContact CG-CD1 3.8Å; L142-I166 HydrophobicContact CG-CG1 3.84Å; L142-I166 WeakPolarHBondContact O-CG1 3.43Å; L142-I166 PolarHBondContact O-N 3.13Å; L142-G167 WeakPolarHBondContact CB-O 3.47Å; L142-G167 PolarHBondContact N-O 3.47Å; L142-I169 HydrophobicContact CD1-CD1 3.99Å; L142-I169 HydrophobicContact CD2-CD1 3.61Å; L142-I169 HydrophobicContact CD2-CG1 4.12Å; L142-I169 HydrophobicContact CG-CD1 4.27Å; L142-F422 HydrophobicContact CD2-CE2 3.99Å; L142-F422 HydrophobicContact CD2-CZ 4.12Å
143	Y	95.4	Very high	91.2	Very high	65 Å²	65	27.4 Å²	27.4	26%	0.255	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	153.1	178.6	-54.7	-92.5	0	0	0	110.1	I109 Y110 P141 K163 K164 F165	I109-Y143 WeakPolarHBondContact CA-O 3.45Å; Y110-Y143 PolarHBondContact N-O 3.42Å; Y110-Y143 PolarHBondContact O-N 3.03Å; P141-Y143 HydrophobicContact CB-CE2 3.83Å; P141-Y143 HydrophobicContact CG-CE2 3.99Å; Y143-K163 WeakPolarHBondContact CD1-O 3.49Å; Y143-K164 CarbonylContact C-O 3.55Å; Y143-K164 VanDerWaalsContact CA-O 3.26Å; Y143-K164 WeakPolarHBondContact CA-O 3.16Å; Y143-F165 HydrophobicContact CD1-CB 3.94Å; Y143-F165 HydrophobicContact CD1-CD2 4.32Å; Y143-F165 HydrophobicContact CE1-CB 3.85Å; Y143-F165 AromaticContact CE1-CD2 3.93Å; Y143-F165 HydrophobicContact CE1-CD2 3.93Å; Y143-F165 HydrophobicContact CE1-CG 4.35Å
144	V	93.8	Very high	90	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	146.1	177	73.9	0	0	0	0	110.4	V77 F106 Q108 I109 V146 K164 I166	V77-V144 HydrophobicContact CG1-CG2 4.12Å; F106-V144 HydrophobicContact CB-CG2 4.28Å; F106-V144 HydrophobicContact CD1-CG1 4Å; F106-V144 HydrophobicContact CD1-CG2 4.32Å; F106-V144 HydrophobicContact CE1-CG1 4.48Å; Q108-V144 WeakPolarHBondContact O-CA 3.41Å; I109-V144 HydrophobicContact CG1-CG2 4.11Å; V144-V146 HydrophobicContact CG1-CG2 3.92Å; V144-K164 PolarHBondContact N-O 3.13Å; V144-K164 PolarHBondContact O-N 2.87Å; V144-I166 HydrophobicContact CB-CD1 4.2Å; V144-I166 HydrophobicContact CB-CG2 4.38Å; V144-I166 HydrophobicContact CG1-CD1 4.33Å; V144-I166 HydrophobicContact CG1-CG2 3.47Å; V144-I166 VanDerWaalsContact CG1-CG2 3.47Å
145	D	94.5	Very high	89.2	Confident	23 Å²	23	39.4 Å²	39.4	12%	0.123	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	137.7	168.6	-69	-13	0	0	0	110.6	E107 Q108 Y110 E162 K163	E107-D145 HydrophobicContact CB-CB 4.39Å; E107-D145 PolarHBondContact N-O 3.17Å; Q108-D145 PolarHBondContact O-N 2.92Å; Y110-D145 WeakPolarHBondContact CE2-OD1 3.34Å; Y110-D145 WeakPolarHBondContact CE2-OD2 3.47Å; Y110-D145 PolarHBondContact OH-OD2 3.41Å; D145-E162 VanDerWaalsContact OD1-CA 3.27Å; D145-E162 WeakPolarHBondContact OD1-CA 3.44Å; D145-K163 PolarHBondContact OD1-N 2.91Å
146	V	92.2	Very high	88.6	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.8	-179.2	-170.5	0	0	0	0	110	K105 F106 V144 L161 L449	K105-V146 CarbonylContact O-C 3.54Å; K105-V146 WeakPolarHBondContact O-CA 3.22Å; F106-V146 HydrophobicContact CD1-CG1 4.46Å; F106-V146 HydrophobicContact CD1-CG2 3.71Å; F106-V146 HydrophobicContact CE1-CG1 4.42Å; F106-V146 HydrophobicContact CE1-CG2 3.85Å; V144-V146 HydrophobicContact CG1-CG2 3.92Å; V146-L161 HydrophobicContact CB-CB 4.4Å; V146-L161 PolarHBondContact N-O 2.99Å; V146-L161 WeakPolarHBondContact O-CA 3.45Å; V146-L161 VanDerWaalsContact O-CB 3.3Å; V146-L161 WeakPolarHBondContact O-CB 3.5Å; V146-L161 PolarHBondContact O-N 3.28Å; V146-L449 HydrophobicContact CB-CD2 3.84Å; V146-L449 HydrophobicContact CG1-CD2 3.73Å; V146-L449 HydrophobicContact CG2-CD2 4.04Å
147	M	91.6	Very high	88.1	Confident	50 Å²	50	48 Å²	48	25%	0.246	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	116.1	170.4	-178.4	-168.2	-75.6	0	0	109	L104 K105 E107	L104-M147 WeakPolarHBondContact CA-O 3.49Å; K105-M147 HydrophobicContact CB-CB 4.35Å; K105-M147 PolarHBondContact N-O 3.12Å; K105-M147 PolarHBondContact O-N 2.87Å; E107-M147 WeakPolarHBondContact OE1-CE 3.23Å
148	K	90	Very high	87.6	Confident	13 Å²	13	51.7 Å²	51.7	6%	0.057	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.6	172.6	-178.9	-179.3	-177.8	-175.3	0	108.8	L104 I150 K159 L161 D446	L104-K148 HydrophobicContact CD2-CB 3.91Å; L104-K148 HydrophobicContact CD2-CG 3.83Å; K148-I150 HydrophobicContact CD-CD1 4.47Å; K148-I150 HydrophobicContact CG-CG1 4.26Å; K148-K159 PolarHBondContact N-O 2.8Å; K148-K159 PolarHBondContact O-N 3.23Å; K148-L161 HydrophobicContact CB-CD1 4.23Å; K148-D446 IonicContact NZ-OD1 2.75Å; K148-D446 PolarHBondContact NZ-OD1 3.03Å; K148-D446 IonicContact NZ-OD2 3.98Å; K148-D446 PolarHBondContact NZ-OD2 2.96Å
149	K	89.7	Confident	87.2	Confident	31 Å²	31	57.1 Å²	57.1	14%	0.135	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.4	174.8	-176.8	169.7	-172.8	148.6	0	110	R103 I151 E156 E157 E158	R103-K149 HydrophobicContact CB-CB 4.26Å; R103-K149 PolarHBondContact N-O 3.45Å; R103-K149 PolarHBondContact O-N 2.88Å; K149-I151 HydrophobicContact CG-CG1 4.41Å; K149-E156 WeakPolarHBondContact CE-OE1 3.41Å; K149-E156 WeakPolarHBondContact CE-OE2 3.23Å; K149-E156 IonicContact NZ-OE1 3.76Å; K149-E156 PolarHBondContact NZ-OE1 3.42Å; K149-E156 IonicContact NZ-OE2 2.76Å; K149-E156 PolarHBondContact NZ-OE2 3.27Å; K149-E157 CarbonylContact C-O 3.59Å; K149-E157 WeakPolarHBondContact CA-O 3.24Å; K149-E158 HydrophobicContact CB-CG 4.2Å; K149-E158 HydrophobicContact CD-CG 3.98Å; K149-E158 WeakPolarHBondContact CD-OE1 3.43Å; K149-E158 WeakPolarHBondContact CE-OE1 3.25Å; K149-E158 HydrophobicContact CG-CG 3.89Å; K149-E158 IonicContact NZ-OE1 3.02Å; K149-E158 PolarHBondContact NZ-OE1 2.86Å
150	I	86.8	Confident	86.8	Confident	14 Å²	14	61.4 Å²	61.4	7%	0.072	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.5	179.3	-50.2	177.3	0	0	0	107.6	V100 Y102 K148 R152 E157	V100-I150 HydrophobicContact CG1-CG2 3.88Å; Y102-I150 HydrophobicContact CD1-CD1 4.44Å; Y102-I150 HydrophobicContact CD1-CG1 3.93Å; Y102-I150 HydrophobicContact CD1-CG2 4.19Å; Y102-I150 HydrophobicContact CE1-CD1 4.06Å; Y102-I150 HydrophobicContact CE1-CG1 4Å; Y102-I150 HydrophobicContact CE1-CG2 3.88Å; K148-I150 HydrophobicContact CD-CD1 4.47Å; K148-I150 HydrophobicContact CG-CG1 4.26Å; I150-R152 HydrophobicContact CG2-CG 4.04Å; I150-E157 PolarHBondContact N-O 3.44Å; I150-E157 PolarHBondContact O-N 2.82Å
151	I	85.3	Confident	86.5	Confident	24 Å²	24	63 Å²	63	12%	0.123	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	110.8	178.6	-50.6	176.4	0	0	0	107.4	V100 Q101 K149 I155 E156	V100-I151 WeakPolarHBondContact CA-O 3.41Å; Q101-I151 HydrophobicContact CB-CB 4.21Å; Q101-I151 PolarHBondContact N-O 3.44Å; Q101-I151 PolarHBondContact O-N 3.04Å; K149-I151 HydrophobicContact CG-CG1 4.41Å; I151-I155 WeakPolarHBondContact CA-O 3.39Å; I151-E156 HydrophobicContact CG1-CG 4.31Å
152	R	78.1	Confident	86.3	Confident	112 Å²	112	69.3 Å²	69.3	42%	0.423	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.5	176.6	-69.4	178.4	178.1	176.5	0.3	108.2	V100 I150 E154 I155	V100-R152 HydrophobicContact CB-CG 4.23Å; V100-R152 HydrophobicContact CG1-CG 3.52Å; V100-R152 HydrophobicContact CG2-CG 3.82Å; I150-R152 HydrophobicContact CG2-CG 4.04Å; R152-E154 VanDerWaalsContact C-N 3.28Å; R152-E154 PolarHBondContact O-N 3.27Å; R152-I155 PolarHBondContact N-O 3.25Å; R152-I155 VanDerWaalsContact N-O 3.08Å; R152-I155 WeakPolarHBondContact O-CB 3.43Å; R152-I155 PolarHBondContact O-N 2.9Å
153	D	71.2	Confident	86	Confident	114 Å²	114	75.2 Å²	75.2	61%	0.61	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.7	49.6	175.3	-55.5	-35.5	0	0	0	113.2	T98 I155	T98-D153 PolarHBondContact OG1-OD1 2.88Å; D153-I155 PolarHBondContact O-N 2.85Å; D153-I155 VanDerWaalsContact O-N 3.1Å
154	E	70.1	Confident	86	Confident	182 Å²	182	73.9 Å²	73.9	85%	0.85	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-0.1	-177.2	-53.7	-174.5	160.8	0	0	116.5	R152	R152-E154 VanDerWaalsContact C-N 3.28Å; R152-E154 PolarHBondContact O-N 3.27Å
155	I	74.3	Confident	86	Confident	124 Å²	124	77.3 Å²	77.3	64%	0.636	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	119	172.1	-56.9	173.6	0	0	0	109	I151 R152 D153	I151-I155 WeakPolarHBondContact CA-O 3.39Å; R152-I155 PolarHBondContact N-O 3.25Å; R152-I155 VanDerWaalsContact N-O 3.08Å; R152-I155 WeakPolarHBondContact O-CB 3.43Å; R152-I155 PolarHBondContact O-N 2.9Å; D153-I155 PolarHBondContact O-N 2.85Å; D153-I155 VanDerWaalsContact O-N 3.1Å
156	E	80.4	Confident	85.9	Confident	106 Å²	106	76.2 Å²	76.2	50%	0.495	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	114.5	175.5	-59.9	-164.4	138.2	0	0	110.6	K149 I151	K149-E156 WeakPolarHBondContact CE-OE1 3.41Å; K149-E156 WeakPolarHBondContact CE-OE2 3.23Å; K149-E156 IonicContact NZ-OE1 3.76Å; K149-E156 PolarHBondContact NZ-OE1 3.42Å; K149-E156 IonicContact NZ-OE2 2.76Å; K149-E156 PolarHBondContact NZ-OE2 3.27Å; I151-E156 HydrophobicContact CG1-CG 4.31Å
157	E	83.6	Confident	86	Confident	109 Å²	109	76.1 Å²	76.1	51%	0.509	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.8	172	-168.7	-174.6	168.6	0	0	109.2	K149 I150	K149-E157 CarbonylContact C-O 3.59Å; K149-E157 WeakPolarHBondContact CA-O 3.24Å; I150-E157 PolarHBondContact N-O 3.44Å; I150-E157 PolarHBondContact O-N 2.82Å
158	E	85.1	Confident	86.2	Confident	105 Å²	105	76.3 Å²	76.3	49%	0.491	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124	175.4	-69.4	-174.6	179.4	0	0	110.6	K149	K149-E158 HydrophobicContact CB-CG 4.2Å; K149-E158 HydrophobicContact CD-CG 3.98Å; K149-E158 WeakPolarHBondContact CD-OE1 3.43Å; K149-E158 WeakPolarHBondContact CE-OE1 3.25Å; K149-E158 HydrophobicContact CG-CG 3.89Å; K149-E158 IonicContact NZ-OE1 3.02Å; K149-E158 PolarHBondContact NZ-OE1 2.86Å
159	K	87.2	Confident	86.5	Confident	116 Å²	116	75.9 Å²	75.9	50%	0.504	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	105.5	178.8	-171.6	172.1	-175.2	169.7	0	110	K148 L161	K148-K159 PolarHBondContact N-O 2.8Å; K148-K159 PolarHBondContact O-N 3.23Å; K159-L161 HydrophobicContact CD-CD2 4.42Å; K159-L161 HydrophobicContact CG-CD2 4.3Å
160	P	88.9	Confident	86.8	Confident	97 Å²	97	74.6 Å²	74.6	63%	0.63	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	130.6	171.9	28.9	-32.3	0	0	0	109.8
161	L	88.4	Confident	87.3	Confident	32 Å²	32	74 Å²	74	17%	0.168	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	97.6	177.4	-63.9	171.4	0	0	0	108.4	V146 K148 K159 K164 L449	V146-L161 HydrophobicContact CB-CB 4.4Å; V146-L161 PolarHBondContact N-O 2.99Å; V146-L161 WeakPolarHBondContact O-CA 3.45Å; V146-L161 VanDerWaalsContact O-CB 3.3Å; V146-L161 WeakPolarHBondContact O-CB 3.5Å; V146-L161 PolarHBondContact O-N 3.28Å; K148-L161 HydrophobicContact CB-CD1 4.23Å; K159-L161 HydrophobicContact CD-CD2 4.42Å; K159-L161 HydrophobicContact CG-CD2 4.3Å; L161-K164 HydrophobicContact CB-CG 4.28Å; L161-L449 HydrophobicContact CD1-CB 4.32Å; L161-L449 HydrophobicContact CD1-CD2 3.5Å; L161-L449 VanDerWaalsContact CD1-CD2 3.5Å
162	E	90.1	Very high	87.9	Confident	135 Å²	135	72.9 Å²	72.9	63%	0.631	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	146.6	-176.2	-62.1	-178.8	-174	0	0	112.6	D145 K164	D145-E162 VanDerWaalsContact OD1-CA 3.27Å; D145-E162 WeakPolarHBondContact OD1-CA 3.44Å; E162-K164 PolarHBondContact O-N 3.44Å
163	K	90.5	Very high	88.7	Confident	125 Å²	125	67.6 Å²	67.6	54%	0.543	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.2	50.5	165.9	-61.3	177.1	-176.4	170.8	0	114.2	Y110 Y143 D145	Y110-K163 HydrophobicContact CD2-CG 3.99Å; Y110-K163 HydrophobicContact CE2-CG 4.13Å; Y143-K163 WeakPolarHBondContact CD1-O 3.49Å; D145-K163 PolarHBondContact OD1-N 2.91Å
164	K	93.4	Very high	89.8	Confident	37 Å²	37	64.6 Å²	64.6	16%	0.161	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	127.1	174.4	-60.3	-52.6	-179.3	-172.6	0	110.9	Y143 V144 L161 E162 I166 E450 I453	Y143-K164 CarbonylContact C-O 3.55Å; Y143-K164 VanDerWaalsContact CA-O 3.26Å; Y143-K164 WeakPolarHBondContact CA-O 3.16Å; V144-K164 PolarHBondContact N-O 3.13Å; V144-K164 PolarHBondContact O-N 2.87Å; L161-K164 HydrophobicContact CB-CG 4.28Å; E162-K164 PolarHBondContact O-N 3.44Å; K164-I166 PolarHBondContact O-N 3.18Å; K164-E450 HydrophobicContact CD-CG 4.25Å; K164-E450 IonicContact NZ-OE1 3.38Å; K164-E450 PolarHBondContact NZ-OE1 2.9Å; K164-I453 HydrophobicContact CB-CD1 4.07Å
165	F	94.2	Very high	91	Very high	72 Å²	72	55.9 Å²	55.9	32%	0.316	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	120.9	-179.1	176.4	-108.4	0	0	0	111.1	P141 Y143 G167 K168 I453	P141-F165 HydrophobicContact CB-CD2 4.12Å; P141-F165 HydrophobicContact CB-CE2 3.63Å; Y143-F165 HydrophobicContact CD1-CB 3.94Å; Y143-F165 HydrophobicContact CD1-CD2 4.32Å; Y143-F165 HydrophobicContact CE1-CB 3.85Å; Y143-F165 AromaticContact CE1-CD2 3.93Å; Y143-F165 HydrophobicContact CE1-CD2 3.93Å; Y143-F165 HydrophobicContact CE1-CG 4.35Å; F165-G167 WeakPolarHBondContact CE2-O 3.27Å; F165-K168 HydrophobicContact CE2-CG 4.29Å; F165-K168 HydrophobicContact CZ-CG 4.03Å; F165-I453 WeakPolarHBondContact O-CG2 3.44Å
166	I	93.8	Very high	91.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-15.4	-178.1	56.8	169	0	0	0	114.2	L142 V144 K164 I453 S455 I458	L142-I166 HydrophobicContact CB-CG1 4.08Å; L142-I166 HydrophobicContact CD2-CD1 3.41Å; L142-I166 VanDerWaalsContact CD2-CD1 3.41Å; L142-I166 HydrophobicContact CD2-CG1 3.77Å; L142-I166 HydrophobicContact CG-CD1 3.8Å; L142-I166 HydrophobicContact CG-CG1 3.84Å; L142-I166 WeakPolarHBondContact O-CG1 3.43Å; L142-I166 PolarHBondContact O-N 3.13Å; V144-I166 HydrophobicContact CB-CD1 4.2Å; V144-I166 HydrophobicContact CB-CG2 4.38Å; V144-I166 HydrophobicContact CG1-CD1 4.33Å; V144-I166 HydrophobicContact CG1-CG2 3.47Å; V144-I166 VanDerWaalsContact CG1-CG2 3.47Å; K164-I166 PolarHBondContact O-N 3.18Å; I166-I453 HydrophobicContact CB-CG2 4.42Å; I166-I453 HydrophobicContact CG2-CD1 4.49Å; I166-I453 HydrophobicContact CG2-CG2 4.03Å; I166-S455 VanDerWaalsContact O-CA 3.32Å; I166-S455 WeakPolarHBondContact O-CA 3.46Å; I166-I458 HydrophobicContact CB-CD1 4.48Å; I166-I458 HydrophobicContact CD1-CD1 4.48Å
167	G	94.4	Very high	92.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154	-171.7	177.9	0	0	0	0	0	113.1	L142 F165 T459	L142-G167 WeakPolarHBondContact CB-O 3.47Å; L142-G167 PolarHBondContact N-O 3.47Å; F165-G167 WeakPolarHBondContact CE2-O 3.27Å; G167-T459 WeakPolarHBondContact CA-OG1 3.28Å
168	K	95	Very high	93	Very high	54 Å²	54	46.6 Å²	46.6	24%	0.235	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.8	174.3	-54.6	-174.5	-179.1	-174.9	0	111.2	A139 A140 F165 T459	A139-K168 HydrophobicContact CB-CB 4.02Å; A140-K168 CarbonylContact O-C 3.42Å; A140-K168 VanDerWaalsContact O-CA 3.23Å; A140-K168 WeakPolarHBondContact O-CA 3.45Å; F165-K168 HydrophobicContact CE2-CG 4.29Å; F165-K168 HydrophobicContact CZ-CG 4.03Å; K168-T459 HydrophobicContact CB-CG2 4.05Å; K168-T459 HydrophobicContact CG-CG2 4.42Å; K168-T459 PolarHBondContact N-OG1 2.9Å
169	I	95.8	Very high	93.3	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128	173.2	-66.1	177.5	0	0	0	109.3	I69 I73 A139 A140 L142 I171 F422 L462	I69-I169 HydrophobicContact CD1-CG2 4.21Å; I73-I169 HydrophobicContact CD1-CD1 3.52Å; A139-I169 CarbonylContact C-O 3.58Å; A139-I169 WeakPolarHBondContact CA-O 3.41Å; A139-I169 WeakPolarHBondContact CB-O 3.43Å; A140-I169 PolarHBondContact N-O 2.84Å; A140-I169 PolarHBondContact O-N 3.19Å; L142-I169 HydrophobicContact CD1-CD1 3.99Å; L142-I169 HydrophobicContact CD2-CD1 3.61Å; L142-I169 HydrophobicContact CD2-CG1 4.12Å; L142-I169 HydrophobicContact CG-CD1 4.27Å; I169-I171 PolarHBondContact O-N 3.34Å; I169-F422 HydrophobicContact CD1-CE2 4.49Å; I169-L462 HydrophobicContact CG1-CD1 4.15Å
170	P	96.6	Very high	93.6	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.032	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	128.9	169.6	-25.2	37	0	0	0	111.9	Y138 F202 L462 L466	Y138-P170 WeakPolarHBondContact O-CA 3.46Å; P170-F202 HydrophobicContact CB-CD1 4.05Å; P170-F202 WeakPolarHBondContact O-CE1 3.42Å; P170-L462 HydrophobicContact CG-CB 4.39Å; P170-L466 HydrophobicContact CB-CD1 4Å; P170-L466 HydrophobicContact CG-CD1 3.84Å
171	I	96.9	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-98.4	133.7	-176.2	-59.7	-68	0	0	0	109.9	F65 L111 Y138 A140 I169 C178	F65-I171 HydrophobicContact CZ-CD1 4.31Å; L111-I171 HydrophobicContact CD2-CD1 3.94Å; Y138-I171 HydrophobicContact CD1-CB 3.97Å; Y138-I171 HydrophobicContact CD1-CG2 4.5Å; Y138-I171 HydrophobicContact CE1-CB 3.82Å; Y138-I171 HydrophobicContact CE1-CG2 3.92Å; Y138-I171 PolarHBondContact O-N 3.27Å; A140-I171 HydrophobicContact CB-CD1 3.82Å; A140-I171 HydrophobicContact CB-CG1 3.63Å; I169-I171 PolarHBondContact O-N 3.34Å; I171-C178 HydrophobicContact CG2-CB 4.32Å
172	M	97.5	Very high	93.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-73.1	137.1	175	-172.7	177.8	-73.2	0	0	110	Q61 L62 F65 S175 F202 A414	Q61-M172 HydrophobicContact CB-CE 4.44Å; Q61-M172 HydrophobicContact CB-SD 4.23Å; L62-M172 HydrophobicContact CD2-CG 4.35Å; L62-M172 HydrophobicContact CD2-SD 3.93Å; F65-M172 HydrophobicContact CB-CB 4.41Å; F65-M172 HydrophobicContact CB-CE 3.81Å; F65-M172 HydrophobicContact CB-SD 3.9Å; F65-M172 HydrophobicContact CD1-CB 3.65Å; F65-M172 HydrophobicContact CD2-CB 4.14Å; F65-M172 HydrophobicContact CD2-CE 4.31Å; F65-M172 HydrophobicContact CE1-CB 3.87Å; F65-M172 HydrophobicContact CE2-CB 4.35Å; F65-M172 HydrophobicContact CG-CB 3.78Å; F65-M172 HydrophobicContact CG-CE 4.17Å; F65-M172 HydrophobicContact CG-SD 4.3Å; F65-M172 HydrophobicContact CZ-CB 4.21Å; M172-S175 WeakPolarHBondContact O-CB 3.41Å; M172-S175 PolarHBondContact O-N 2.85Å; M172-S175 PolarHBondContact O-OG 3.48Å; M172-S175 VanDerWaalsContact O-OG 3.08Å; M172-F202 HydrophobicContact CB-CD1 4.31Å; M172-F202 HydrophobicContact CB-CE1 3.77Å; M172-F202 HydrophobicContact CB-CZ 3.95Å; M172-F202 HydrophobicContact CE-CE2 3.57Å; M172-F202 HydrophobicContact CE-CZ 3.54Å; M172-F202 HydrophobicContact CG-CZ 4.43Å; M172-A414 HydrophobicContact CE-CB 3.72Å
173	L	96.6	Very high	93.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	141.9	178.4	-63.6	-172.1	0	0	0	111.9	L62 P128 Y138 S175 G200 Y201 I203	L62-L173 WeakPolarHBondContact CD2-O 3.37Å; P128-L173 HydrophobicContact CB-CD1 4.15Å; P128-L173 HydrophobicContact CB-CD2 3.73Å; P128-L173 HydrophobicContact CG-CD2 3.58Å; Y138-L173 HydrophobicContact CD1-CD2 3.79Å; Y138-L173 HydrophobicContact CE1-CD2 3.75Å; Y138-L173 HydrophobicContact CG-CD2 4.4Å; L173-S175 PolarHBondContact O-N 3.06Å; L173-G200 PolarHBondContact O-N 3.33Å; L173-Y201 HydrophobicContact CD1-CD2 4.16Å; L173-Y201 HydrophobicContact CD1-CE1 4.31Å; L173-Y201 HydrophobicContact CD1-CE2 3.36Å; L173-Y201 VanDerWaalsContact CD1-CZ 3.43Å; L173-Y201 VanDerWaalsContact CD1-OH 3.32Å; L173-Y201 WeakPolarHBondContact CD1-OH 3.36Å; L173-Y201 HydrophobicContact CG-CE2 4.28Å; L173-Y201 PolarHBondContact N-O 3.31Å; L173-I203 HydrophobicContact CD1-CD1 3.68Å; L173-I203 HydrophobicContact CD1-CG1 4.09Å; L173-I203 HydrophobicContact CD2-CD1 4.26Å; L173-I203 HydrophobicContact CG-CD1 4.35Å
174	R	94.2	Very high	93.6	Very high	51 Å²	51	33.9 Å²	33.9	19%	0.192	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	7.2	-174.9	-58.6	-73.7	-163.9	152.8	13.2	115.3	L62 C178 L180 L188 P195	L62-R174 HydrophobicContact CD2-CB 4.39Å; R174-C178 PolarHBondContact N-SG 3.04Å; R174-L180 PolarHBondContact NH1-O 3.49Å; R174-L188 VanDerWaalsContact NH2-CD1 3.29Å; R174-P195 PolarHBondContact NH2-O 2.9Å
175	S	94.9	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-71.3	166.3	169.6	82.7	0	0	0	0	111.1	D66 M172 L173 Y177 C178 S181	D66-S175 WeakPolarHBondContact OD1-CB 3.43Å; M172-S175 WeakPolarHBondContact O-CB 3.41Å; M172-S175 PolarHBondContact O-N 2.85Å; M172-S175 PolarHBondContact O-OG 3.48Å; M172-S175 VanDerWaalsContact O-OG 3.08Å; L173-S175 PolarHBondContact O-N 3.06Å; S175-Y177 PolarHBondContact O-N 2.93Å; S175-Y177 VanDerWaalsContact O-N 3.15Å; S175-C178 WeakPolarHBondContact O-CB 3.48Å; S175-C178 PolarHBondContact O-N 2.99Å; S175-S181 VanDerWaalsContact O-CB 3.32Å; S175-S181 WeakPolarHBondContact O-CB 3.1Å
176	T	93.4	Very high	93.6	Very high	68 Å²	68	42.3 Å²	42.3	42%	0.417	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-39.5	-178.6	53.9	0	0	0	0	113.2	D66 C178 S181	D66-T176 HydrophobicContact CB-CG2 4.45Å; D66-T176 VanDerWaalsContact CG-OG1 3.26Å; D66-T176 PolarHBondContact OD1-N 2.98Å; D66-T176 PolarHBondContact OD1-OG1 3.36Å; D66-T176 WeakPolarHBondContact OD2-CG2 3.42Å; D66-T176 PolarHBondContact OD2-N 3.45Å; T176-C178 VanDerWaalsContact C-N 3.35Å; T176-C178 PolarHBondContact O-N 3.33Å; T176-S181 PolarHBondContact O-OG 3.47Å
177	Y	92.7	Very high	93.6	Very high	71 Å²	71	45.3 Å²	45.3	28%	0.278	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-4.4	179	-60.4	-82.1	0	0	0	115.1	I69 Q70 L111 S175	I69-Y177 HydrophobicContact CB-CD2 3.94Å; I69-Y177 HydrophobicContact CB-CE2 3.57Å; I69-Y177 HydrophobicContact CG1-CD2 4.25Å; I69-Y177 HydrophobicContact CG1-CE2 4.38Å; I69-Y177 HydrophobicContact CG2-CD1 4.35Å; I69-Y177 HydrophobicContact CG2-CD2 3.61Å; I69-Y177 HydrophobicContact CG2-CE1 4.02Å; I69-Y177 HydrophobicContact CG2-CE2 3.22Å; I69-Y177 HydrophobicContact CG2-CG 4.17Å; I69-Y177 VanDerWaalsContact CG2-CZ 3.44Å; Q70-Y177 HydrophobicContact CG-CE2 4.1Å; Q70-Y177 WeakPolarHBondContact CG-OH 3.33Å; L111-Y177 HydrophobicContact CD2-CD1 3.93Å; L111-Y177 HydrophobicContact CD2-CE1 4.4Å; L111-Y177 HydrophobicContact CD2-CG 4.03Å; S175-Y177 PolarHBondContact O-N 2.93Å; S175-Y177 VanDerWaalsContact O-N 3.15Å
178	C	94	Very high	93.6	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.027	23%	0.232	C	C	.	.	S	Bend	trans	-75.9	150.8	175	-169	0	0	0	0	110.5	I171 R174 S175 T176 L180 S181	I171-C178 HydrophobicContact CG2-CB 4.32Å; R174-C178 PolarHBondContact N-SG 3.04Å; S175-C178 WeakPolarHBondContact O-CB 3.48Å; S175-C178 PolarHBondContact O-N 2.99Å; T176-C178 VanDerWaalsContact C-N 3.35Å; T176-C178 PolarHBondContact O-N 3.33Å; C178-L180 PolarHBondContact O-N 3.07Å; C178-S181 PolarHBondContact O-OG 2.86Å; C178-S181 VanDerWaalsContact O-OG 3.07Å
179	L	91.4	Very high	93.5	Very high	44 Å²	44	45.5 Å²	45.5	23%	0.23	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61.9	-30.5	174.2	-171.7	71.3	0	0	0	112.2	T127 Y138 S181 M183	T127-L179 HydrophobicContact CG2-CD2 4.49Å; Y138-L179 PolarHBondContact OH-N 3.25Å; L179-S181 PolarHBondContact O-N 3.43Å; L179-M183 HydrophobicContact CD1-CE 4.24Å; L179-M183 HydrophobicContact CD2-CE 4.1Å; L179-M183 HydrophobicContact CG-CE 3.71Å
180	L	93	Very high	93.4	Very high	4 Å²	4	51 Å²	51	2%	0.021	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-83.6	-2	-171.5	-53.9	-175.6	0	0	0	115.2	P128 R174 C178 M183 L188 L191 E193	P128-L180 HydrophobicContact CB-CD1 4.43Å; P128-L180 HydrophobicContact CG-CD1 3.81Å; P128-L180 HydrophobicContact CG-CD2 4.33Å; P128-L180 HydrophobicContact CG-CG 3.98Å; R174-L180 PolarHBondContact NH1-O 3.49Å; C178-L180 PolarHBondContact O-N 3.07Å; L180-M183 HydrophobicContact CD2-SD 3.96Å; L180-L188 HydrophobicContact CB-CD2 4.06Å; L180-L188 HydrophobicContact CD2-CD2 3.93Å; L180-L188 HydrophobicContact CG-CD2 4.38Å; L180-L191 HydrophobicContact CD2-CD1 4.3Å; L180-E193 HydrophobicContact CD1-CG 4.17Å; L180-E193 HydrophobicContact CD2-CG 4.24Å
181	S	88.9	Confident	93.3	Very high	48 Å²	48	53.2 Å²	53.2	34%	0.336	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-73.9	-34.9	-173.6	54.6	0	0	0	0	113.6	S175 T176 C178 L179	S175-S181 VanDerWaalsContact O-CB 3.32Å; S175-S181 WeakPolarHBondContact O-CB 3.1Å; T176-S181 PolarHBondContact O-OG 3.47Å; C178-S181 PolarHBondContact O-OG 2.86Å; C178-S181 VanDerWaalsContact O-OG 3.07Å; L179-S181 PolarHBondContact O-N 3.43Å
182	V	84.7	Confident	93.1	Very high	138 Å²	138	56.9 Å²	56.9	84%	0.836	30%	0.3	S	S	*	.	S	Bend	trans	-96.7	-3.8	-174.6	-167.5	0	0	0	0	112.3
183	M	90.9	Very high	93	Very high	53 Å²	53	57.2 Å²	57.2	26%	0.261	30%	0.302	S	S	.	.			trans	-84.5	141.4	-172	-72.7	177	168.8	0	0	112.3	L179 L180 D187 L188 L191	L179-M183 HydrophobicContact CD1-CE 4.24Å; L179-M183 HydrophobicContact CD2-CE 4.1Å; L179-M183 HydrophobicContact CG-CE 3.71Å; L180-M183 HydrophobicContact CD2-SD 3.96Å; M183-D187 HydrophobicContact CB-CB 4.05Å; M183-D187 HydrophobicContact CG-CB 4.31Å; M183-L188 HydrophobicContact CB-CD2 4.09Å; M183-L188 HydrophobicContact CB-CG 4.07Å; M183-L191 HydrophobicContact CE-CD1 3.6Å; M183-L191 HydrophobicContact SD-CD1 3.34Å; M183-L191 WeakPolarHBondContact SD-CD1 3.47Å
184	S	93.1	Very high	92.9	Very high	56 Å²	56	57.2 Å²	57.2	39%	0.392	30%	0.302	S	S	.	.			trans	-74.9	164.1	173.3	72.7	0	0	0	0	111.7	R186 D187 L188	S184-R186 PolarHBondContact O-N 2.62Å; S184-R186 VanDerWaalsContact O-N 3.14Å; S184-D187 WeakPolarHBondContact CB-OD2 3.35Å; S184-D187 PolarHBondContact N-OD2 3.08Å; S184-D187 PolarHBondContact O-N 3.41Å; S184-D187 VanDerWaalsContact O-N 3.09Å; S184-D187 PolarHBondContact OG-N 3.02Å; S184-D187 PolarHBondContact OG-OD2 3.17Å; S184-L188 WeakPolarHBondContact O-CD1 3.19Å; S184-L188 VanDerWaalsContact O-CG 3.25Å; S184-L188 WeakPolarHBondContact O-CG 3.42Å; S184-L188 PolarHBondContact O-N 3.01Å
185	D	92.7	Very high	92.9	Very high	104 Å²	104	56.4 Å²	56.4	56%	0.556	30%	0.303	S	S	*	.	H	α-helix	trans	-55.1	-32	176	-73.6	-11.2	0	0	0	113.1	A189 P195	D185-A189 PolarHBondContact O-N 2.93Å; D185-P195 HydrophobicContact CB-CB 4.1Å; D185-P195 HydrophobicContact CB-CG 4.25Å
186	R	94.7	Very high	92.9	Very high	183 Å²	183	57.8 Å²	57.8	69%	0.691	31%	0.31	S	S	*	.	H	α-helix	trans	-70	-49.1	175.2	-179.1	-178.7	169.1	171.3	1.1	111.7	S184 L188 A189 E190	S184-R186 PolarHBondContact O-N 2.62Å; S184-R186 VanDerWaalsContact O-N 3.14Å; R186-L188 PolarHBondContact O-N 3.34Å; R186-A189 WeakPolarHBondContact O-CB 3.24Å; R186-A189 PolarHBondContact O-N 2.94Å; R186-A189 VanDerWaalsContact O-N 3.09Å; R186-E190 IonicContact CZ-OE1 3.75Å; R186-E190 IonicContact NE-OE1 3.02Å; R186-E190 PolarHBondContact NE-OE1 3.18Å; R186-E190 IonicContact NH2-OE1 3.59Å; R186-E190 WeakPolarHBondContact O-CG 3.39Å; R186-E190 PolarHBondContact O-N 3.03Å
187	D	94.6	Very high	92.9	Very high	63 Å²	63	54.9 Å²	54.9	34%	0.337	29%	0.292	S	S	.	.	H	α-helix	trans	-61.4	-36.1	-179.7	-52.3	-41.6	0	0	0	110.9	M183 S184 E190 L191	M183-D187 HydrophobicContact CB-CB 4.05Å; M183-D187 HydrophobicContact CG-CB 4.31Å; S184-D187 WeakPolarHBondContact CB-OD2 3.35Å; S184-D187 PolarHBondContact N-OD2 3.08Å; S184-D187 PolarHBondContact O-N 3.41Å; S184-D187 VanDerWaalsContact O-N 3.09Å; S184-D187 PolarHBondContact OG-N 3.02Å; S184-D187 PolarHBondContact OG-OD2 3.17Å; D187-E190 PolarHBondContact O-N 3.05Å; D187-L191 WeakPolarHBondContact O-CG 3.49Å; D187-L191 PolarHBondContact O-N 3.38Å
188	L	94.3	Very high	92.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-44.1	175.3	-67.7	161.3	0	0	0	111.6	R174 L180 M183 S184 R186 E190 L191 N192 E193	R174-L188 VanDerWaalsContact NH2-CD1 3.29Å; L180-L188 HydrophobicContact CB-CD2 4.06Å; L180-L188 HydrophobicContact CD2-CD2 3.93Å; L180-L188 HydrophobicContact CG-CD2 4.38Å; M183-L188 HydrophobicContact CB-CD2 4.09Å; M183-L188 HydrophobicContact CB-CG 4.07Å; S184-L188 WeakPolarHBondContact O-CD1 3.19Å; S184-L188 VanDerWaalsContact O-CG 3.25Å; S184-L188 WeakPolarHBondContact O-CG 3.42Å; S184-L188 PolarHBondContact O-N 3.01Å; R186-L188 PolarHBondContact O-N 3.34Å; L188-E190 VanDerWaalsContact C-N 3.34Å; L188-L191 CarbonylContact O-C 3.57Å; L188-L191 PolarHBondContact O-N 3.49Å; L188-N192 PolarHBondContact O-N 2.93Å; L188-E193 HydrophobicContact CB-CB 4.4Å; L188-E193 HydrophobicContact CD2-CB 4.37Å; L188-E193 WeakPolarHBondContact O-CA 3.3Å; L188-E193 WeakPolarHBondContact O-CB 3.21Å; L188-E193 PolarHBondContact O-N 3.27Å
189	A	93.4	Very high	93	Very high	57 Å²	57	52.6 Å²	52.6	47%	0.471	29%	0.286	S	S	.	.	H	α-helix	trans	-63.9	-39.6	175.8	0	0	0	0	0	111.8	D185 R186 L191 N192	D185-A189 PolarHBondContact O-N 2.93Å; R186-A189 WeakPolarHBondContact O-CB 3.24Å; R186-A189 PolarHBondContact O-N 2.94Å; R186-A189 VanDerWaalsContact O-N 3.09Å; A189-L191 VanDerWaalsContact C-N 3.26Å; A189-L191 PolarHBondContact O-N 3.02Å; A189-N192 WeakPolarHBondContact O-CA 3.43Å; A189-N192 PolarHBondContact O-N 3.33Å
190	E	94	Very high	93.1	Very high	119 Å²	119	50.5 Å²	50.5	56%	0.556	28%	0.275	S	S	*	.	H	α-helix	trans	-61.9	-33.6	175.4	-70.3	178.9	-171	0	0	111.9	R186 D187 L188 N192	R186-E190 IonicContact CZ-OE1 3.75Å; R186-E190 IonicContact NE-OE1 3.02Å; R186-E190 PolarHBondContact NE-OE1 3.18Å; R186-E190 IonicContact NH2-OE1 3.59Å; R186-E190 WeakPolarHBondContact O-CG 3.39Å; R186-E190 PolarHBondContact O-N 3.03Å; D187-E190 PolarHBondContact O-N 3.05Å; L188-E190 VanDerWaalsContact C-N 3.34Å; E190-N192 PolarHBondContact O-N 2.93Å
191	L	92.5	Very high	93.4	Very high	53 Å²	53	50.3 Å²	50.3	28%	0.277	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	8.6	173.2	-68.8	175.8	0	0	0	114.6	T127 L180 M183 D187 L188 A189 E193	T127-L191 HydrophobicContact CG2-CD2 4.33Å; L180-L191 HydrophobicContact CD2-CD1 4.3Å; M183-L191 HydrophobicContact CE-CD1 3.6Å; M183-L191 HydrophobicContact SD-CD1 3.34Å; M183-L191 WeakPolarHBondContact SD-CD1 3.47Å; D187-L191 WeakPolarHBondContact O-CG 3.49Å; D187-L191 PolarHBondContact O-N 3.38Å; L188-L191 CarbonylContact O-C 3.57Å; L188-L191 PolarHBondContact O-N 3.49Å; A189-L191 VanDerWaalsContact C-N 3.26Å; A189-L191 PolarHBondContact O-N 3.02Å; L191-E193 HydrophobicContact CB-CG 4.49Å; L191-E193 PolarHBondContact O-N 2.91Å
192	N	94.2	Very high	93.8	Very high	77 Å²	77	48.1 Å²	48.1	41%	0.412	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	29.3	-173.5	-60	-73.1	0	0	0	113.6	L188 A189 E190 N756 T759	L188-N192 PolarHBondContact O-N 2.93Å; A189-N192 WeakPolarHBondContact O-CA 3.43Å; A189-N192 PolarHBondContact O-N 3.33Å; E190-N192 PolarHBondContact O-N 2.93Å; N192-N756 PolarHBondContact O-ND2 3.08Å; N192-T759 HydrophobicContact CB-CG2 4.37Å
193	E	95.2	Very high	94.4	Very high	8 Å²	8	41.5 Å²	41.5	4%	0.037	22%	0.219	C	C	.	.			trans	-97.5	157	171.7	-68.1	-61.8	167	0	0	111.3	N129 R132 L180 L188 L191	N129-E193 WeakPolarHBondContact CB-OE1 3.23Å; N129-E193 PolarHBondContact N-OE1 2.93Å; R132-E193 IonicContact CZ-OE1 2.78Å; R132-E193 IonicContact CZ-OE2 2.82Å; R132-E193 IonicContact NH1-OE1 3.4Å; R132-E193 PolarHBondContact NH1-OE1 3.37Å; R132-E193 VanDerWaalsContact NH1-OE1 3.14Å; R132-E193 IonicContact NH1-OE2 3.93Å; R132-E193 PolarHBondContact NH1-OE2 2.83Å; R132-E193 IonicContact NH2-OE1 3.73Å; R132-E193 PolarHBondContact NH2-OE1 3.27Å; R132-E193 IonicContact NH2-OE2 3.95Å; R132-E193 PolarHBondContact NH2-OE2 2.85Å; L180-E193 HydrophobicContact CD1-CG 4.17Å; L180-E193 HydrophobicContact CD2-CG 4.24Å; L188-E193 HydrophobicContact CB-CB 4.4Å; L188-E193 HydrophobicContact CD2-CB 4.37Å; L188-E193 WeakPolarHBondContact O-CA 3.3Å; L188-E193 WeakPolarHBondContact O-CB 3.21Å; L188-E193 PolarHBondContact O-N 3.27Å; L191-E193 HydrophobicContact CB-CG 4.49Å; L191-E193 PolarHBondContact O-N 2.91Å
194	C	94.7	Very high	94.6	Very high	1 Å²	1	39 Å²	39	1%	0.007	21%	0.206	C	C	.	.			trans	-90.9	125.5	177.5	179.8	0	0	0	0	110	L196 D197 I754 S755	C194-L196 PolarHBondContact O-N 3.37Å; C194-L196 PolarHBondContact SG-N 3.23Å; C194-L196 VanDerWaalsContact SG-N 3.39Å; C194-D197 HydrophobicContact CB-CB 4.14Å; C194-D197 PolarHBondContact O-N 3.04Å; C194-D197 VanDerWaalsContact O-N 3.13Å; C194-I754 HydrophobicContact CB-CD1 3.62Å; C194-I754 HydrophobicContact CB-CG1 3.34Å; C194-I754 WeakPolarHBondContact SG-CG1 3.4Å; C194-S755 PolarHBondContact SG-OG 3.42Å
195	P	94.2	Very high	94.6	Very high	33 Å²	33	39.4 Å²	39.4	21%	0.214	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-32.2	173.5	-28.5	37.2	0	0	0	113.2	R174 D185	R174-P195 PolarHBondContact NH2-O 2.9Å; D185-P195 HydrophobicContact CB-CB 4.1Å; D185-P195 HydrophobicContact CB-CG 4.25Å
196	L	93.4	Very high	94.6	Very high	30 Å²	30	35.3 Å²	35.3	16%	0.157	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.8	-177.5	-44.7	-178.5	0	0	0	113.6	C194 P198 F493 E788 L789	C194-L196 PolarHBondContact O-N 3.37Å; C194-L196 PolarHBondContact SG-N 3.23Å; C194-L196 VanDerWaalsContact SG-N 3.39Å; L196-P198 WeakPolarHBondContact O-CD 3.37Å; L196-F493 HydrophobicContact CB-CE2 4.44Å; L196-F493 HydrophobicContact CB-CZ 4.47Å; L196-F493 VanDerWaalsContact O-CE2 3.26Å; L196-F493 WeakPolarHBondContact O-CE2 3.44Å; L196-F493 VanDerWaalsContact O-CZ 3.3Å; L196-F493 WeakPolarHBondContact O-CZ 3.4Å; L196-E788 HydrophobicContact CD1-CB 4.24Å; L196-E788 WeakPolarHBondContact CD1-OE2 3.34Å; L196-E788 WeakPolarHBondContact CD2-OE2 3.22Å; L196-L789 HydrophobicContact CD1-CD1 3.76Å; L196-L789 HydrophobicContact CD1-CD2 4.42Å; L196-L789 HydrophobicContact CD1-CG 3.86Å
197	D	94.4	Very high	94.6	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.037	17%	0.166	C	C	.	.			trans	-67.7	120.2	-179.5	-169.5	49.3	0	0	0	109.9	C194 G199 Y201 R490 I754	C194-D197 HydrophobicContact CB-CB 4.14Å; C194-D197 PolarHBondContact O-N 3.04Å; C194-D197 VanDerWaalsContact O-N 3.13Å; D197-G199 PolarHBondContact O-N 3.43Å; D197-Y201 WeakPolarHBondContact OD2-CE1 3.32Å; D197-Y201 PolarHBondContact OD2-OH 2.96Å; D197-R490 IonicContact OD1-CZ 3.4Å; D197-R490 IonicContact OD1-NH1 3.56Å; D197-R490 PolarHBondContact OD1-NH1 3.46Å; D197-R490 IonicContact OD1-NH2 3.15Å; D197-R490 PolarHBondContact OD1-NH2 3.05Å; D197-R490 IonicContact OD2-NH2 3.76Å; D197-I754 HydrophobicContact CB-CD1 3.91Å
198	P	93.1	Very high	94.7	Very high	26 Å²	26	26.1 Å²	26.1	17%	0.169	15%	0.153	C	C	.	.			trans	-70.4	-16.4	-171.1	28.8	-38.7	0	0	0	113.6	V58 L196 L497 L500	V58-P198 HydrophobicContact CG2-CB 3.64Å; V58-P198 WeakPolarHBondContact CG2-O 3.29Å; L196-P198 WeakPolarHBondContact O-CD 3.37Å; P198-L497 HydrophobicContact CB-CD2 4.01Å; P198-L497 HydrophobicContact CG-CD2 3.85Å; P198-L500 HydrophobicContact CG-CD1 3.77Å
199	G	94.7	Very high	94.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.158	C	C	.	.			trans	68.3	-155.1	-168.4	0	0	0	0	0	112.3	D197 Y201	D197-G199 PolarHBondContact O-N 3.43Å; G199-Y201 WeakPolarHBondContact O-CD1 3.32Å
200	G	95.2	Very high	94.9	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	14%	0.135	C	C	.	.			trans	82.5	19.8	179	0	0	0	0	0	115.1	L173 L500	L173-G200 PolarHBondContact O-N 3.33Å; G200-L500 VanDerWaalsContact O-CD2 3.29Å; G200-L500 WeakPolarHBondContact O-CD2 2.94Å
201	Y	97.6	Very high	95	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.109	C	C	.	.			trans	-139.9	165.7	178.1	62.9	-88.3	0	0	0	111.3	L173 D197 G199 I203 E208 K209 L488 R490	L173-Y201 HydrophobicContact CD1-CD2 4.16Å; L173-Y201 HydrophobicContact CD1-CE1 4.31Å; L173-Y201 HydrophobicContact CD1-CE2 3.36Å; L173-Y201 VanDerWaalsContact CD1-CZ 3.43Å; L173-Y201 VanDerWaalsContact CD1-OH 3.32Å; L173-Y201 WeakPolarHBondContact CD1-OH 3.36Å; L173-Y201 HydrophobicContact CG-CE2 4.28Å; L173-Y201 PolarHBondContact N-O 3.31Å; D197-Y201 WeakPolarHBondContact OD2-CE1 3.32Å; D197-Y201 PolarHBondContact OD2-OH 2.96Å; G199-Y201 WeakPolarHBondContact O-CD1 3.32Å; Y201-I203 HydrophobicContact CE2-CG1 4.36Å; Y201-E208 HydrophobicContact CD2-CB 3.88Å; Y201-E208 HydrophobicContact CD2-CG 3.98Å; Y201-E208 HydrophobicContact CE2-CB 4.11Å; Y201-E208 HydrophobicContact CE2-CG 3.7Å; Y201-K209 WeakPolarHBondContact CB-O 3.45Å; Y201-L488 HydrophobicContact CD1-CD2 3.83Å; Y201-L488 HydrophobicContact CD2-CD2 4.22Å; Y201-L488 HydrophobicContact CE1-CD2 4.16Å; Y201-L488 HydrophobicContact CE2-CD2 4.5Å; Y201-L488 HydrophobicContact CG-CD2 3.88Å; Y201-R490 PolarHBondContact OH-NH2 3.05Å
202	F	97.9	Very high	95.2	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.3	-178.9	-60.2	-87.1	0	0	0	111.2	F65 P170 M172 I204 E208 K209 L211 L418	F65-F202 HydrophobicContact CD2-CE1 4.07Å; F65-F202 AromaticContact CD2-CZ 3.82Å; F65-F202 HydrophobicContact CD2-CZ 3.82Å; F65-F202 AromaticContact CE2-CE1 3.65Å; F65-F202 HydrophobicContact CE2-CE1 3.65Å; F65-F202 AromaticContact CE2-CZ 3.87Å; F65-F202 HydrophobicContact CE2-CZ 3.87Å; F65-F202 HydrophobicContact CZ-CE1 4.23Å; P170-F202 HydrophobicContact CB-CD1 4.05Å; P170-F202 WeakPolarHBondContact O-CE1 3.42Å; M172-F202 HydrophobicContact CB-CD1 4.31Å; M172-F202 HydrophobicContact CB-CE1 3.77Å; M172-F202 HydrophobicContact CB-CZ 3.95Å; M172-F202 HydrophobicContact CE-CE2 3.57Å; M172-F202 HydrophobicContact CE-CZ 3.54Å; M172-F202 HydrophobicContact CG-CZ 4.43Å; F202-I204 HydrophobicContact CB-CD1 4.32Å; F202-I204 HydrophobicContact CB-CG1 4.21Å; F202-E208 CarbonylContact O-C 3.6Å; F202-E208 WeakPolarHBondContact O-CA 3.24Å; F202-K209 HydrophobicContact CB-CB 4.44Å; F202-K209 PolarHBondContact N-O 3.42Å; F202-K209 PolarHBondContact O-N 3.46Å; F202-L211 HydrophobicContact CD2-CG 4.41Å; F202-L211 HydrophobicContact CE2-CD1 3.76Å; F202-L211 HydrophobicContact CE2-CG 3.98Å; F202-L211 HydrophobicContact CZ-CD1 4.43Å; F202-L418 HydrophobicContact CZ-CD1 3.94Å
203	I	97.2	Very high	95.2	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.4	169.2	-61.9	165	0	0	0	109	P128 A131 R132 Y138 L173 Y201 S207 E208	P128-I203 HydrophobicContact CB-CD1 3.83Å; P128-I203 WeakPolarHBondContact O-CD1 3.3Å; A131-I203 HydrophobicContact CB-CG2 4.04Å; R132-I203 HydrophobicContact CG-CD1 3.74Å; R132-I203 HydrophobicContact CG-CG1 4.25Å; R132-I203 HydrophobicContact CG-CG2 4.26Å; Y138-I203 PolarHBondContact N-O 3.01Å; L173-I203 HydrophobicContact CD1-CD1 3.68Å; L173-I203 HydrophobicContact CD1-CG1 4.09Å; L173-I203 HydrophobicContact CD2-CD1 4.26Å; L173-I203 HydrophobicContact CG-CD1 4.35Å; Y201-I203 HydrophobicContact CE2-CG1 4.36Å; I203-S207 WeakPolarHBondContact CA-O 3.35Å; I203-E208 HydrophobicContact CG1-CG 4.41Å
204	I	95.7	Very high	95.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	121.4	-177.8	-52.1	-174.8	0	0	0	109.6	T137 F202 G206 S207 K209 K463 L466 A467	T137-I204 HydrophobicContact CG2-CB 4.46Å; T137-I204 HydrophobicContact CG2-CG1 4.3Å; T137-I204 HydrophobicContact CG2-CG2 4.23Å; F202-I204 HydrophobicContact CB-CD1 4.32Å; F202-I204 HydrophobicContact CB-CG1 4.21Å; I204-G206 PolarHBondContact O-N 2.97Å; I204-S207 PolarHBondContact N-O 2.93Å; I204-S207 WeakPolarHBondContact O-CB 3.47Å; I204-S207 PolarHBondContact O-N 2.68Å; I204-S207 PolarHBondContact O-OG 3.08Å; I204-K209 HydrophobicContact CB-CG 4.33Å; I204-K209 HydrophobicContact CD1-CG 4.33Å; I204-K209 HydrophobicContact CG1-CG 4.39Å; I204-K463 HydrophobicContact CG2-CG 3.94Å; I204-L466 HydrophobicContact CD1-CB 3.08Å; I204-L466 HydrophobicContact CD1-CD1 3.57Å; I204-L466 HydrophobicContact CD1-CG 3.93Å; I204-A467 HydrophobicContact CG2-CB 4.1Å
205	N	93.7	Very high	95.1	Very high	65 Å²	65	13.4 Å²	13.4	35%	0.348	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	39.8	-172.8	-59	-30.4	0	0	0	112.3	N135 L136 T137 S207 K463	N135-N205 CarbonylContact O-C 3.59Å; N135-N205 VanDerWaalsContact O-CA 3.3Å; N135-N205 WeakPolarHBondContact O-CA 3.25Å; L136-N205 PolarHBondContact O-N 2.73Å; T137-N205 PolarHBondContact OG1-N 3.48Å; T137-N205 PolarHBondContact OG1-OD1 2.92Å; N205-S207 PolarHBondContact O-N 2.82Å; N205-S207 VanDerWaalsContact O-N 3.15Å; N205-K463 WeakPolarHBondContact OD1-CE 3.44Å; N205-K463 PolarHBondContact OD1-NZ 2.66Å
206	G	92.2	Very high	94.9	Very high	17 Å²	17	15.3 Å²	15.3	18%	0.175	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-5.6	-173.7	0	0	0	0	0	116.4	L136 I204	L136-G206 PolarHBondContact O-N 3.01Å; I204-G206 PolarHBondContact O-N 2.97Å
207	S	94.2	Very high	94.8	Very high	40 Å²	40	15.8 Å²	15.8	28%	0.28	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	139.6	177	69.9	0	0	0	0	111.4	I203 I204 N205 K209	I203-S207 WeakPolarHBondContact CA-O 3.35Å; I204-S207 PolarHBondContact N-O 2.93Å; I204-S207 WeakPolarHBondContact O-CB 3.47Å; I204-S207 PolarHBondContact O-N 2.68Å; I204-S207 PolarHBondContact O-OG 3.08Å; N205-S207 PolarHBondContact O-N 2.82Å; N205-S207 VanDerWaalsContact O-N 3.15Å; S207-K209 VanDerWaalsContact OG-CE 3.28Å; S207-K209 WeakPolarHBondContact OG-CE 3.14Å
208	E	96.4	Very high	94.7	Very high	14 Å²	14	15.5 Å²	15.5	7%	0.065	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125	178.4	-63.3	170.8	156	0	0	110.3	R132 Y201 F202 I203 V487 L488 R490 R760	R132-E208 IonicContact NE-OE1 2.71Å; Y201-E208 HydrophobicContact CD2-CB 3.88Å; Y201-E208 HydrophobicContact CD2-CG 3.98Å; Y201-E208 HydrophobicContact CE2-CB 4.11Å; Y201-E208 HydrophobicContact CE2-CG 3.7Å; F202-E208 CarbonylContact O-C 3.6Å; F202-E208 WeakPolarHBondContact O-CA 3.24Å; I203-E208 HydrophobicContact CG1-CG 4.41Å; E208-V487 WeakPolarHBondContact O-CA 3.49Å; E208-L488 HydrophobicContact CB-CB 3.93Å; E208-L488 HydrophobicContact CB-CD2 4.33Å; E208-L488 PolarHBondContact O-N 2.86Å; E208-R490 VanDerWaalsContact CD-NE 3.31Å; E208-R490 VanDerWaalsContact CD-NH2 3.26Å; E208-R490 IonicContact OE1-CZ 2.75Å; E208-R490 IonicContact OE1-NE 2.69Å; E208-R490 PolarHBondContact OE1-NE 3.04Å; E208-R490 IonicContact OE1-NH2 3.06Å; E208-R490 PolarHBondContact OE1-NH2 3.15Å; E208-R490 WeakPolarHBondContact OE2-CD 3.34Å; E208-R490 IonicContact OE2-CZ 2.65Å; E208-R490 IonicContact OE2-NE 3.45Å; E208-R490 PolarHBondContact OE2-NE 3.11Å; E208-R490 IonicContact OE2-NH2 3.29Å; E208-R490 PolarHBondContact OE2-NH2 3.26Å; E208-R760 VanDerWaalsContact CD-NH2 3.35Å; E208-R760 IonicContact OE1-CZ 3.47Å; E208-R760 IonicContact OE1-NH1 3.74Å; E208-R760 PolarHBondContact OE1-NH1 3.14Å; E208-R760 VanDerWaalsContact OE1-NH1 3.08Å; E208-R760 IonicContact OE1-NH2 3.73Å; E208-R760 PolarHBondContact OE1-NH2 3.21Å; E208-R760 IonicContact OE2-NH2 2.84Å; E208-R760 PolarHBondContact OE2-NH2 3.31Å
209	K	96.9	Very high	94.7	Very high	21 Å²	21	15.6 Å²	15.6	9%	0.091	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.5	-173.1	-64.4	-62.6	-172.5	164.1	0	110.2	Y201 F202 I204 S207 A467 Q486 V487	Y201-K209 WeakPolarHBondContact CB-O 3.45Å; F202-K209 HydrophobicContact CB-CB 4.44Å; F202-K209 PolarHBondContact N-O 3.42Å; F202-K209 PolarHBondContact O-N 3.46Å; I204-K209 HydrophobicContact CB-CG 4.33Å; I204-K209 HydrophobicContact CD1-CG 4.33Å; I204-K209 HydrophobicContact CG1-CG 4.39Å; S207-K209 VanDerWaalsContact OG-CE 3.28Å; S207-K209 WeakPolarHBondContact OG-CE 3.14Å; K209-A467 WeakPolarHBondContact CE-O 3.42Å; K209-A467 PolarHBondContact NZ-O 3.38Å; K209-Q486 WeakPolarHBondContact CA-O 3.44Å; K209-V487 HydrophobicContact CD-CG2 4.21Å
210	V	96.5	Very high	94.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	142.3	174.5	58.7	0	0	0	0	109.7	I212 S485 Q486 L488 L500	V210-I212 HydrophobicContact CG1-CD1 4.05Å; V210-I212 HydrophobicContact CG2-CD1 4.33Å; V210-S485 WeakPolarHBondContact O-CA 3.31Å; V210-Q486 HydrophobicContact CG1-CB 4.37Å; V210-Q486 PolarHBondContact N-O 2.87Å; V210-Q486 PolarHBondContact O-N 3.13Å; V210-L488 HydrophobicContact CB-CD1 4.32Å; V210-L488 HydrophobicContact CG1-CD1 4.37Å; V210-L500 HydrophobicContact CB-CD2 4.37Å; V210-L500 HydrophobicContact CG2-CD2 3.73Å
211	L	96	Very high	94.6	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.3	170.9	-63.3	-176.2	0	0	0	109.8	Q61 F202 A414 L418 L466 W471	Q61-L211 PolarHBondContact NE2-O 3.07Å; Q61-L211 VanDerWaalsContact NE2-O 3.11Å; F202-L211 HydrophobicContact CD2-CG 4.41Å; F202-L211 HydrophobicContact CE2-CD1 3.76Å; F202-L211 HydrophobicContact CE2-CG 3.98Å; F202-L211 HydrophobicContact CZ-CD1 4.43Å; L211-A414 HydrophobicContact CD1-CB 3.91Å; L211-L418 HydrophobicContact CD1-CG 4.28Å; L211-L466 HydrophobicContact CD1-CD2 4.09Å; L211-L466 HydrophobicContact CD2-CD2 3.65Å; L211-L466 HydrophobicContact CG-CD2 4.25Å; L211-W471 HydrophobicContact CD1-CH2 3.79Å; L211-W471 HydrophobicContact CD1-CZ2 4.47Å; L211-W471 HydrophobicContact CD2-CH2 3.4Å; L211-W471 VanDerWaalsContact CD2-CH2 3.4Å; L211-W471 HydrophobicContact CD2-CZ3 3.48Å; L211-W471 VanDerWaalsContact CD2-CZ3 3.48Å; L211-W471 HydrophobicContact CG-CH2 4.25Å
212	I	95.2	Very high	94.4	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-86.9	129.4	178.6	-52.3	-55.5	0	0	0	108.5	V210 Q214 V484 Q486 R502 N504	V210-I212 HydrophobicContact CG1-CD1 4.05Å; V210-I212 HydrophobicContact CG2-CD1 4.33Å; I212-Q214 PolarHBondContact O-N 2.79Å; I212-Q214 PolarHBondContact O-NE2 2.73Å; I212-V484 PolarHBondContact N-O 3.06Å; I212-Q486 HydrophobicContact CG1-CG 4.11Å; I212-R502 HydrophobicContact CD1-CB 4.25Å; I212-R502 HydrophobicContact CG2-CB 4.38Å; I212-R502 HydrophobicContact CG2-CG 4.07Å; I212-R502 WeakPolarHBondContact CG2-O 3.48Å; I212-N504 HydrophobicContact CG2-CB 3.82Å
213	A	95.1	Very high	94.3	Very high	5 Å²	5	17 Å²	17	4%	0.041	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	132.8	177.1	0	0	0	0	0	110.5	L411 D412 L413 R502 L503 N504	A213-L411 HydrophobicContact CB-CD2 4.45Å; A213-D412 WeakPolarHBondContact CA-O 3.12Å; A213-L413 HydrophobicContact CB-CD2 3.6Å; A213-R502 PolarHBondContact N-O 3.27Å; A213-L503 HydrophobicContact CB-CB 3.92Å; A213-L503 CarbonylContact O-C 3.53Å; A213-L503 WeakPolarHBondContact O-CA 3.17Å; A213-N504 PolarHBondContact O-N 2.97Å
214	Q	93.8	Very high	94.2	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.019	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.9	179.7	-58.4	-58.6	-54.2	0	0	110.5	I212 K216 D412 L417 V484 N504	I212-Q214 PolarHBondContact O-N 2.79Å; I212-Q214 PolarHBondContact O-NE2 2.73Å; Q214-K216 PolarHBondContact O-N 2.86Å; Q214-D412 HydrophobicContact CB-CB 4.34Å; Q214-D412 PolarHBondContact N-O 3.28Å; Q214-D412 PolarHBondContact O-N 2.89Å; Q214-L417 HydrophobicContact CG-CD1 4.39Å; Q214-L417 HydrophobicContact CG-CD2 4.29Å; Q214-V484 HydrophobicContact CG-CG1 4.38Å; Q214-V484 HydrophobicContact CG-CG2 4.3Å; Q214-N504 PolarHBondContact OE1-ND2 3.19Å
215	E	93	Very high	94.2	Very high	15 Å²	15	17.7 Å²	17.7	7%	0.07	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	126	174.1	-173.5	-173.6	138.7	0	0	109.5	Y406 K409 L411 N504 S505 P506 K542	E215-Y406 HydrophobicContact CG-CE2 4.4Å; E215-K409 HydrophobicContact CG-CB 4.33Å; E215-K409 HydrophobicContact CG-CD 4.04Å; E215-K409 WeakPolarHBondContact OE1-CD 3.32Å; E215-K409 WeakPolarHBondContact OE1-CE 3.37Å; E215-K409 IonicContact OE1-NZ 2.77Å; E215-K409 PolarHBondContact OE1-NZ 2.89Å; E215-L411 HydrophobicContact CB-CD2 4.27Å; E215-N504 PolarHBondContact N-O 2.85Å; E215-S505 PolarHBondContact OE2-OG 3.42Å; E215-P506 WeakPolarHBondContact O-CD 3.38Å; E215-P506 WeakPolarHBondContact O-CG 3.41Å; E215-K542 IonicContact OE1-NZ 2.81Å; E215-K542 IonicContact OE2-NZ 3.28Å; E215-K542 PolarHBondContact OE2-NZ 2.72Å
216	K	90.5	Very high	94.1	Very high	72 Å²	72	20.9 Å²	20.9	31%	0.313	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	161.5	169.8	66.6	172.6	179.4	-158.8	0	110	Q214 K409 R410 D412	Q214-K216 PolarHBondContact O-N 2.86Å; K216-K409 CarbonylContact O-C 3.45Å; K216-K409 WeakPolarHBondContact O-CA 3.29Å; K216-K409 WeakPolarHBondContact O-CB 3.39Å; K216-R410 HydrophobicContact CG-CB 4.14Å; K216-R410 PolarHBondContact N-O 3.21Å; K216-R410 PolarHBondContact O-N 3.41Å; K216-D412 WeakPolarHBondContact CD-OD2 3.35Å; K216-D412 WeakPolarHBondContact CE-OD1 3.39Å; K216-D412 IonicContact NZ-OD1 3.69Å; K216-D412 PolarHBondContact NZ-OD1 2.73Å; K216-D412 IonicContact NZ-OD2 3.82Å
217	M	91.7	Very high	93.8	Very high	40 Å²	40	22.9 Å²	22.9	20%	0.197	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	140	168.3	-163.6	156.3	157.4	0	0	109.2	Y223 F225	M217-Y223 HydrophobicContact CE-CD1 4.25Å; M217-Y223 HydrophobicContact CE-CD2 3.04Å; M217-Y223 HydrophobicContact CE-CE2 3.37Å; M217-Y223 HydrophobicContact CE-CG 3.5Å; M217-Y223 VanDerWaalsContact CE-CG 3.5Å; M217-Y223 HydrophobicContact CG-CE2 4Å; M217-F225 HydrophobicContact CE-CE2 3.83Å; M217-F225 HydrophobicContact CE-CZ 3.72Å
218	A	93	Very high	93.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.008	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-61.9	145.2	-179.8	0	0	0	0	0	110.5	Y223 N408 R410	A218-Y223 WeakPolarHBondContact CB-OH 3.44Å; A218-N408 WeakPolarHBondContact CB-O 3.34Å; A218-N408 PolarHBondContact N-O 2.67Å; A218-R410 HydrophobicContact CB-CG 3.84Å
219	T	92.5	Very high	92.2	Very high	28 Å²	28	36 Å²	36	17%	0.172	17%	0.172	C	C	.	.	S	Bend	trans	-87	167.1	176.6	44.6	0	0	0	0	110.4	T221 R239 C241	T219-T221 PolarHBondContact O-N 2.89Å; T219-T221 PolarHBondContact O-OG1 3.16Å; T219-R239 CarbonylContact C-O 3.54Å; T219-R239 WeakPolarHBondContact CA-O 3.28Å; T219-R239 WeakPolarHBondContact CB-O 3.37Å; T219-C241 HydrophobicContact CG2-CB 4.01Å
220	N	94.1	Very high	91.5	Very high	11 Å²	11	37.6 Å²	37.6	6%	0.059	19%	0.186	C	C	.	.	S	Bend	trans	57.9	19.3	173.6	-58.5	-14.8	0	0	0	114.6	R239 S240 C241 H368 N588 G589	N220-R239 PolarHBondContact N-O 3.02Å; N220-S240 VanDerWaalsContact OD1-CA 3.3Å; N220-S240 WeakPolarHBondContact OD1-CA 3.09Å; N220-C241 PolarHBondContact ND2-O 3.13Å; N220-C241 PolarHBondContact OD1-N 2.72Å; N220-C241 PolarHBondContact OD1-O 2.61Å; N220-H368 VanDerWaalsContact CG-CD2 3.47Å; N220-H368 WeakPolarHBondContact OD1-CB 3.43Å; N220-N588 WeakPolarHBondContact CB-O 3.43Å; N220-G589 VanDerWaalsContact O-CA 3.28Å; N220-G589 WeakPolarHBondContact O-CA 3.29Å
221	T	93	Very high	91	Very high	12 Å²	12	43.2 Å²	43.2	7%	0.074	21%	0.21	C	C	.	.			trans	-118.4	137.1	178.8	-54.4	0	0	0	0	109.7	T219 Y223	T219-T221 PolarHBondContact O-N 2.89Å; T219-T221 PolarHBondContact O-OG1 3.16Å; T221-Y223 WeakPolarHBondContact CB-OH 3.3Å; T221-Y223 HydrophobicContact CG2-CD1 4.43Å; T221-Y223 HydrophobicContact CG2-CE1 3.72Å; T221-Y223 HydrophobicContact CG2-CE2 4.13Å; T221-Y223 WeakPolarHBondContact O-CD2 3.47Å; T221-Y223 WeakPolarHBondContact O-CE2 3.36Å
222	V	94.5	Very high	90.7	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	128.9	177.2	-177.2	0	0	0	0	108.9	T236 I238 F382 Y385 M386 R389	V222-T236 HydrophobicContact CG1-CG2 3.48Å; V222-T236 VanDerWaalsContact CG1-CG2 3.48Å; V222-I238 HydrophobicContact CG2-CD1 4.14Å; V222-F382 HydrophobicContact CG2-CE1 4.04Å; V222-F382 HydrophobicContact CG2-CZ 3.76Å; V222-Y385 HydrophobicContact CG2-CD1 4.32Å; V222-Y385 HydrophobicContact CG2-CE1 4.14Å; V222-M386 HydrophobicContact CG1-CB 4.45Å; V222-M386 HydrophobicContact CG1-CG 4.09Å; V222-M386 HydrophobicContact CG2-CG 3.68Å; V222-R389 PolarHBondContact O-NH1 2.65Å
223	Y	95.2	Very high	90.5	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.02	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.7	176.6	-59.9	-71.4	0	0	0	111.6	M217 A218 T221 F225 T236 E237 D401 N408	M217-Y223 HydrophobicContact CE-CD1 4.25Å; M217-Y223 HydrophobicContact CE-CD2 3.04Å; M217-Y223 HydrophobicContact CE-CE2 3.37Å; M217-Y223 HydrophobicContact CE-CG 3.5Å; M217-Y223 VanDerWaalsContact CE-CG 3.5Å; M217-Y223 HydrophobicContact CG-CE2 4Å; A218-Y223 WeakPolarHBondContact CB-OH 3.44Å; T221-Y223 WeakPolarHBondContact CB-OH 3.3Å; T221-Y223 HydrophobicContact CG2-CD1 4.43Å; T221-Y223 HydrophobicContact CG2-CE1 3.72Å; T221-Y223 HydrophobicContact CG2-CE2 4.13Å; T221-Y223 WeakPolarHBondContact O-CD2 3.47Å; T221-Y223 WeakPolarHBondContact O-CE2 3.36Å; Y223-F225 HydrophobicContact CD1-CZ 4.4Å; Y223-F225 HydrophobicContact CG-CE2 4.42Å; Y223-F225 HydrophobicContact CG-CZ 4.03Å; Y223-T236 CarbonylContact O-C 3.42Å; Y223-T236 WeakPolarHBondContact O-CA 3.49Å; Y223-E237 PolarHBondContact N-O 3.03Å; Y223-E237 PolarHBondContact O-N 3.01Å; Y223-D401 VanDerWaalsContact CA-OD2 3.3Å; Y223-D401 WeakPolarHBondContact CA-OD2 3.41Å; Y223-D401 HydrophobicContact CD1-CB 4.19Å; Y223-N408 HydrophobicContact CE1-CB 3.66Å; Y223-N408 VanDerWaalsContact CE1-CG 3.44Å; Y223-N408 PolarHBondContact OH-O 3.31Å
224	V	95.9	Very high	90.4	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	112.5	177.9	-170.1	0	0	0	0	109.9	Y234 T236 R389 L390 A393 D401	V224-Y234 HydrophobicContact CG1-CD1 4.48Å; V224-T236 HydrophobicContact CG2-CG2 4.13Å; V224-R389 HydrophobicContact CG2-CB 4.19Å; V224-L390 HydrophobicContact CG1-CD1 4.1Å; V224-A393 HydrophobicContact CB-CB 4.32Å; V224-A393 HydrophobicContact CG1-CB 3.66Å; V224-D401 PolarHBondContact N-OD2 2.87Å; V224-D401 PolarHBondContact O-N 3Å; V224-D401 VanDerWaalsContact O-N 3.07Å
225	F	94.2	Very high	90.3	Very high	12 Å²	12	49 Å²	49	5%	0.053	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.6	178.3	-54.8	-60.4	0	0	0	111.8	M217 Y223 K235 D401 R403	M217-F225 HydrophobicContact CE-CE2 3.83Å; M217-F225 HydrophobicContact CE-CZ 3.72Å; Y223-F225 HydrophobicContact CD1-CZ 4.4Å; Y223-F225 HydrophobicContact CG-CE2 4.42Å; Y223-F225 HydrophobicContact CG-CZ 4.03Å; F225-K235 PolarHBondContact N-O 2.91Å; F225-K235 PolarHBondContact O-N 2.97Å; F225-D401 WeakPolarHBondContact CD1-O 3.38Å; F225-D401 HydrophobicContact CE1-CB 4.17Å; F225-D401 VanDerWaalsContact CE1-O 3.32Å; F225-D401 WeakPolarHBondContact CE1-O 3.15Å; F225-R403 HydrophobicContact CD1-CG 3.67Å; F225-R403 HydrophobicContact CE1-CB 4.32Å; F225-R403 HydrophobicContact CE1-CG 3.2Å; F225-R403 HydrophobicContact CE2-CG 4.36Å; F225-R403 HydrophobicContact CG-CG 4.42Å; F225-R403 HydrophobicContact CZ-CG 3.59Å
226	K	91.8	Very high	90.4	Very high	133 Å²	133	48.2 Å²	48.2	58%	0.578	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	133.1	164.2	-168	171.5	-176.6	174.4	0	109.9	Y234 V400	K226-Y234 HydrophobicContact CB-CD1 4.45Å; K226-Y234 HydrophobicContact CB-CE1 4.39Å; K226-Y234 HydrophobicContact CG-CE1 4.44Å; K226-V400 HydrophobicContact CB-CG1 4.24Å
227	Q	87.5	Confident	90.6	Very high	58 Å²	58	45.7 Å²	45.7	27%	0.271	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-102.1	139.1	175.3	-64.4	-66.3	-31.5	0	0	109.7	A233 K235	Q227-A233 PolarHBondContact N-O 2.84Å; Q227-A233 VanDerWaalsContact N-O 3.12Å; Q227-K235 HydrophobicContact CG-CB 3.91Å
228	K	83.1	Confident	90.8	Very high	176 Å²	176	43.8 Å²	43.8	77%	0.765	21%	0.213	S	C	*	.	S	Bend	trans	-97.7	135.4	172.4	-165	-176.5	172.7	-179.1	0	108.3	S230	K228-S230 VanDerWaalsContact C-N 3.31Å; K228-S230 PolarHBondContact O-N 3.03Å
229	D	73.4	Confident	90.8	Very high	155 Å²	155	47.9 Å²	47.9	83%	0.829	23%	0.228	S	C	*	.	S	Bend	trans	56.2	37.6	173.6	-51	-35.8	0	0	0	114.9
230	S	81.6	Confident	90.7	Very high	54 Å²	54	46.6 Å²	46.6	38%	0.378	22%	0.221	S	C	.	.	S	Bend	trans	-118	164.1	178.3	-173.8	0	0	0	0	111.8	K228 Y232	K228-S230 VanDerWaalsContact C-N 3.31Å; K228-S230 PolarHBondContact O-N 3.03Å; S230-Y232 PolarHBondContact O-N 2.96Å
231	K	86.7	Confident	90.3	Very high	117 Å²	117	47.7 Å²	47.7	51%	0.509	23%	0.229	S	C	.	.	S	Bend	trans	-58.9	-24.6	169.9	-175.7	-173.8	170.1	-162.4	0	111.8	A258 E284	K231-A258 PolarHBondContact O-N 2.84Å; K231-E284 IonicContact NZ-OE1 2.7Å; K231-E284 PolarHBondContact NZ-OE1 2.86Å; K231-E284 IonicContact NZ-OE2 3.72Å; K231-E284 PolarHBondContact NZ-OE2 3.34Å
232	Y	88.7	Confident	89.8	Confident	35 Å²	35	49.8 Å²	49.8	14%	0.137	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.9	-179.2	-46	-65.9	0	0	0	110.6	S230 N255 M256 V275 E284	S230-Y232 PolarHBondContact O-N 2.96Å; Y232-N255 HydrophobicContact CD1-CB 3.39Å; Y232-N255 HydrophobicContact CD2-CB 4.43Å; Y232-N255 HydrophobicContact CE1-CB 3.76Å; Y232-N255 HydrophobicContact CG-CB 3.75Å; Y232-M256 CarbonylContact C-O 3.59Å; Y232-M256 WeakPolarHBondContact CA-O 3.2Å; Y232-V275 HydrophobicContact CE1-CG2 4.24Å; Y232-E284 PolarHBondContact OH-OE1 2.93Å
233	A	90.4	Very high	88.8	Confident	22 Å²	22	52.7 Å²	52.7	18%	0.182	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-46	171.7	0	0	0	0	0	110.9	Q227 M256 A258	Q227-A233 PolarHBondContact N-O 2.84Å; Q227-A233 VanDerWaalsContact N-O 3.12Å; A233-M256 PolarHBondContact N-O 3.16Å; A233-A258 HydrophobicContact CB-CB 4.28Å
234	Y	93.3	Very high	87.5	Confident	26 Å²	26	56.2 Å²	56.2	10%	0.102	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.2	179.5	-65.8	-93.2	0	0	0	109.6	V224 K226 N255 M256 L390 A394 V400	V224-Y234 HydrophobicContact CG1-CD1 4.48Å; K226-Y234 HydrophobicContact CB-CD1 4.45Å; K226-Y234 HydrophobicContact CB-CE1 4.39Å; K226-Y234 HydrophobicContact CG-CE1 4.44Å; Y234-N255 WeakPolarHBondContact O-CA 3.43Å; Y234-M256 HydrophobicContact CD2-SD 4.22Å; Y234-M256 PolarHBondContact O-N 3.09Å; Y234-L390 VanDerWaalsContact CB-CD1 3.47Å; Y234-L390 HydrophobicContact CG-CD1 4.41Å; Y234-A394 HydrophobicContact CD2-CB 4.32Å; Y234-A394 HydrophobicContact CE2-CB 4.22Å; Y234-V400 HydrophobicContact CE1-CG1 4.18Å
235	K	92.9	Very high	86.3	Confident	50 Å²	50	56.6 Å²	56.6	22%	0.217	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	114.9	179.6	169	164.8	-172.2	-169.8	0	108.6	F225 Q227 E237 W253 N255	F225-K235 PolarHBondContact N-O 2.91Å; F225-K235 PolarHBondContact O-N 2.97Å; Q227-K235 HydrophobicContact CG-CB 3.91Å; K235-E237 IonicContact NZ-OE2 3.79Å; K235-W253 VanDerWaalsContact CE-NE1 3.26Å; K235-N255 WeakPolarHBondContact CA-OD1 3.33Å; K235-N255 WeakPolarHBondContact CB-OD1 3.23Å; K235-N255 VanDerWaalsContact CG-OD1 3.23Å; K235-N255 WeakPolarHBondContact CG-OD1 3.48Å
236	T	95.1	Very high	84.8	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.6	168.6	-55.9	0	0	0	0	109.1	V222 Y223 V224 W253 I254 M386 L390	V222-T236 HydrophobicContact CG1-CG2 3.48Å; V222-T236 VanDerWaalsContact CG1-CG2 3.48Å; Y223-T236 CarbonylContact O-C 3.42Å; Y223-T236 WeakPolarHBondContact O-CA 3.49Å; V224-T236 HydrophobicContact CG2-CG2 4.13Å; T236-W253 CarbonylContact O-C 3.45Å; T236-W253 VanDerWaalsContact O-CA 3.23Å; T236-W253 WeakPolarHBondContact O-CA 3.47Å; T236-I254 WeakPolarHBondContact CA-O 3.19Å; T236-I254 VanDerWaalsContact CB-O 3.25Å; T236-I254 WeakPolarHBondContact CB-O 3.48Å; T236-I254 PolarHBondContact N-O 3.02Å; T236-I254 PolarHBondContact O-N 3.3Å; T236-M386 HydrophobicContact CG2-CE 3.98Å; T236-L390 WeakPolarHBondContact OG1-CB 3.38Å; T236-L390 WeakPolarHBondContact OG1-CD1 3.21Å
237	E	94.3	Very high	83.7	Confident	19 Å²	19	55.8 Å²	55.8	9%	0.089	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.8	178.3	179.9	167.6	150.1	0	0	109.8	Y223 K235 R239 T251 W253	Y223-E237 PolarHBondContact N-O 3.03Å; Y223-E237 PolarHBondContact O-N 3.01Å; K235-E237 IonicContact NZ-OE2 3.79Å; E237-R239 IonicContact OE1-CZ 2.64Å; E237-R239 VanDerWaalsContact OE1-CZ 3.26Å; E237-R239 IonicContact OE1-NE 2.76Å; E237-R239 PolarHBondContact OE1-NE 3.5Å; E237-R239 IonicContact OE1-NH2 2.8Å; E237-R239 PolarHBondContact OE1-NH2 3.11Å; E237-T251 HydrophobicContact CG-CG2 3.9Å; E237-W253 PolarHBondContact OE2-NE1 3.15Å
238	I	95	Very high	83.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.7	162.4	-173.4	169.4	0	0	0	109.4	V222 T251 L252 L366 F382 M386	V222-I238 HydrophobicContact CG2-CD1 4.14Å; I238-T251 WeakPolarHBondContact O-CA 3.45Å; I238-L252 HydrophobicContact CG2-CB 3.74Å; I238-L252 HydrophobicContact CG2-CD2 4.2Å; I238-L252 HydrophobicContact CG2-CG 4.32Å; I238-L252 PolarHBondContact N-O 3.14Å; I238-L252 PolarHBondContact O-N 3.42Å; I238-L366 HydrophobicContact CD1-CD2 4.21Å; I238-L366 HydrophobicContact CG2-CD2 3.92Å; I238-F382 HydrophobicContact CD1-CE1 3.33Å; I238-F382 HydrophobicContact CD1-CZ 3.46Å; I238-F382 VanDerWaalsContact CD1-CZ 3.46Å; I238-M386 HydrophobicContact CB-CE 3.89Å; I238-M386 HydrophobicContact CB-SD 4.42Å; I238-M386 HydrophobicContact CG2-CE 3.39Å; I238-M386 HydrophobicContact CG2-SD 3.76Å
239	R	93	Very high	83.1	Confident	87 Å²	87	51.1 Å²	51.1	33%	0.328	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	100	171.1	-64.5	-178.5	-172.7	175.5	6.3	108.6	T219 N220 E237 T251	T219-R239 CarbonylContact C-O 3.54Å; T219-R239 WeakPolarHBondContact CA-O 3.28Å; T219-R239 WeakPolarHBondContact CB-O 3.37Å; N220-R239 PolarHBondContact N-O 3.02Å; E237-R239 IonicContact OE1-CZ 2.64Å; E237-R239 VanDerWaalsContact OE1-CZ 3.26Å; E237-R239 IonicContact OE1-NE 2.76Å; E237-R239 PolarHBondContact OE1-NE 3.5Å; E237-R239 IonicContact OE1-NH2 2.8Å; E237-R239 PolarHBondContact OE1-NH2 3.11Å; R239-T251 HydrophobicContact CG-CG2 4.09Å
240	S	90.6	Very high	83.8	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.007	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	124.8	-176.9	-61.9	0	0	0	0	110.6	N220 A249 S250 H368	N220-S240 VanDerWaalsContact OD1-CA 3.3Å; N220-S240 WeakPolarHBondContact OD1-CA 3.09Å; S240-A249 CarbonylContact O-C 3.53Å; S240-A249 WeakPolarHBondContact O-CA 3.49Å; S240-S250 PolarHBondContact N-O 3.38Å; S240-S250 PolarHBondContact O-N 2.78Å; S240-H368 WeakPolarHBondContact CB-ND1 3.33Å; S240-H368 PolarHBondContact OG-CE1 3.06Å; S240-H368 PolarHBondContact OG-ND1 3.44Å; S240-H368 VanDerWaalsContact OG-ND1 3.15Å
241	C	86.6	Confident	84.3	Confident	34 Å²	34	43 Å²	43	23%	0.23	23%	0.225	C	C	.	.			trans	-127.9	127.3	172.6	-166.3	0	0	0	0	107.8	T219 N220	T219-C241 HydrophobicContact CG2-CB 4.01Å; N220-C241 PolarHBondContact ND2-O 3.13Å; N220-C241 PolarHBondContact OD1-N 2.72Å; N220-C241 PolarHBondContact OD1-O 2.61Å
242	L	83	Confident	84.7	Confident	55 Å²	55	37.7 Å²	37.7	29%	0.288	20%	0.202	S	C	.	.			trans	-74.1	133.1	169	-175.7	65.5	0	0	0	107.9	S245	L242-S245 PolarHBondContact O-N 3.49Å
243	E	72.3	Confident	85	Confident	65 Å²	65	39.3 Å²	39.3	30%	0.304	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	140.1	178.6	-68.9	176.8	-173.3	0	0	110.3	S245 N588	E243-S245 PolarHBondContact O-N 3.08Å; E243-N588 WeakPolarHBondContact OE1-CB 3.4Å; E243-N588 PolarHBondContact OE1-ND2 3.36Å; E243-N588 PolarHBondContact OE2-ND2 3.29Å
244	H	67.4	Low	85.1	Confident	79 Å²	79	38.2 Å²	38.2	37%	0.366	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-0.4	-177	-54.4	-65.2	0	0	0	117	K75	K75-H244 HydrophobicContact CD-CB 4.15Å; K75-H244 PolarHBondContact NZ-CD2 3.09Å; K75-H244 PolarHBondContact NZ-CE1 3.22Å; K75-H244 PolarHBondContact NZ-NE2 3.35Å
245	S	70.7	Confident	85.2	Confident	10 Å²	10	37 Å²	37	7%	0.07	20%	0.195	C	C	.	.			trans	-77.1	153.3	-175.9	-172.8	0	0	0	0	113.5	L242 E243 R247 R423	L242-S245 PolarHBondContact O-N 3.49Å; E243-S245 PolarHBondContact O-N 3.08Å; S245-R247 PolarHBondContact O-N 2.88Å; S245-R247 PolarHBondContact OG-N 2.84Å; S245-R423 VanDerWaalsContact O-CZ 3.3Å; S245-R423 PolarHBondContact O-NH2 3.44Å
246	S	64.2	Low	85.1	Confident	61 Å²	61	34.7 Å²	34.7	43%	0.427	18%	0.184	S	C	.	.	S	Bend	trans	-69	-8.1	170.4	53.7	0	0	0	0	115.9	D79	D79-S246 VanDerWaalsContact OD2-CB 3.28Å; D79-S246 WeakPolarHBondContact OD2-CB 3.2Å; D79-S246 PolarHBondContact OD2-N 3.43Å; D79-S246 PolarHBondContact OD2-OG 2.81Å
247	R	68.5	Low	84.7	Confident	68 Å²	68	36.9 Å²	36.9	26%	0.257	20%	0.195	S	C	.	.	S	Bend	trans	-79.6	139.6	-173.5	-64.3	176.5	177.2	-114.4	-4.7	112.9	S245 K363 E364	S245-R247 PolarHBondContact O-N 2.88Å; S245-R247 PolarHBondContact OG-N 2.84Å; R247-K363 PolarHBondContact NH1-O 2.84Å; R247-E364 IonicContact NH1-OE1 3.49Å; R247-E364 PolarHBondContact NH1-OE1 3.42Å
248	P	75.2	Confident	84.2	Confident	86 Å²	86	37.9 Å²	37.9	56%	0.558	21%	0.206	S	C	*	.	P	Polyproline II helix	trans	-66.7	157.4	169.9	30.8	-34.7	0	0	0	110.8	S250	P248-S250 PolarHBondContact O-N 2.85Å; P248-S250 VanDerWaalsContact O-N 3.13Å
249	A	82.2	Confident	83	Confident	50 Å²	50	47.6 Å²	47.6	41%	0.413	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-60.4	118.6	174.3	0	0	0	0	0	110.4	S240	S240-A249 CarbonylContact O-C 3.53Å; S240-A249 WeakPolarHBondContact O-CA 3.49Å
250	S	88.7	Confident	81.4	Confident	8 Å²	8	46.3 Å²	46.3	6%	0.056	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122.1	177.6	-69.4	0	0	0	0	109.1	S240 P248 E364	S240-S250 PolarHBondContact N-O 3.38Å; S240-S250 PolarHBondContact O-N 2.78Å; P248-S250 PolarHBondContact O-N 2.85Å; P248-S250 VanDerWaalsContact O-N 3.13Å; S250-E364 VanDerWaalsContact CB-O 3.29Å; S250-E364 WeakPolarHBondContact CB-O 3.36Å
251	T	92.1	Very high	79.6	Confident	31 Å²	31	48.9 Å²	48.9	19%	0.19	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.7	-177.9	-48.9	0	0	0	0	110.3	E237 I238 R239 W253	E237-T251 HydrophobicContact CG-CG2 3.9Å; I238-T251 WeakPolarHBondContact O-CA 3.45Å; R239-T251 HydrophobicContact CG-CG2 4.09Å; T251-W253 HydrophobicContact CG2-CD2 4.09Å; T251-W253 VanDerWaalsContact CG2-CE2 3.41Å; T251-W253 HydrophobicContact CG2-CH2 3.98Å; T251-W253 HydrophobicContact CG2-CZ2 3.37Å
252	L	94	Very high	77.8	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.1	173.4	170.8	70.6	0	0	0	108.5	I238 L278 L366 L383 M386	I238-L252 HydrophobicContact CG2-CB 3.74Å; I238-L252 HydrophobicContact CG2-CD2 4.2Å; I238-L252 HydrophobicContact CG2-CG 4.32Å; I238-L252 PolarHBondContact N-O 3.14Å; I238-L252 PolarHBondContact O-N 3.42Å; L252-L278 HydrophobicContact CD1-CD2 3.48Å; L252-L278 VanDerWaalsContact CD1-CD2 3.48Å; L252-L366 HydrophobicContact CD2-CD2 3.82Å; L252-L366 HydrophobicContact CD2-CG 4.13Å; L252-L383 HydrophobicContact CD2-CD1 4.19Å; L252-M386 HydrophobicContact CD2-CE 4.12Å; L252-M386 HydrophobicContact CD2-SD 3.9Å; L252-M386 HydrophobicContact CG-CE 4.43Å
253	W	94.5	Very high	76	Confident	69 Å²	69	60.7 Å²	60.7	26%	0.261	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.5	173.5	-58.1	-73.6	0	0	0	111.4	K235 T236 E237 T251 A276 I277	K235-W253 VanDerWaalsContact CE-NE1 3.26Å; T236-W253 CarbonylContact O-C 3.45Å; T236-W253 VanDerWaalsContact O-CA 3.23Å; T236-W253 WeakPolarHBondContact O-CA 3.47Å; E237-W253 PolarHBondContact OE2-NE1 3.15Å; T251-W253 HydrophobicContact CG2-CD2 4.09Å; T251-W253 VanDerWaalsContact CG2-CE2 3.41Å; T251-W253 HydrophobicContact CG2-CH2 3.98Å; T251-W253 HydrophobicContact CG2-CZ2 3.37Å; W253-A276 CarbonylContact O-C 3.53Å; W253-A276 VanDerWaalsContact O-CA 3.24Å; W253-A276 WeakPolarHBondContact O-CA 3.45Å; W253-I277 HydrophobicContact CB-CB 4.25Å; W253-I277 HydrophobicContact CE3-CB 3.85Å; W253-I277 HydrophobicContact CE3-CG2 3.66Å; W253-I277 HydrophobicContact CZ3-CG2 4.03Å; W253-I277 PolarHBondContact N-O 2.84Å; W253-I277 PolarHBondContact O-N 2.84Å
254	I	94.5	Very high	74.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.7	169.5	-54.7	-179	0	0	0	107.4	T236 I274 V275 V287 L383 M386 V387 L390	T236-I254 WeakPolarHBondContact CA-O 3.19Å; T236-I254 VanDerWaalsContact CB-O 3.25Å; T236-I254 WeakPolarHBondContact CB-O 3.48Å; T236-I254 PolarHBondContact N-O 3.02Å; T236-I254 PolarHBondContact O-N 3.3Å; I254-I274 HydrophobicContact CG2-CG2 3.47Å; I254-I274 VanDerWaalsContact CG2-CG2 3.47Å; I254-V275 CarbonylContact C-O 3.58Å; I254-V275 WeakPolarHBondContact CA-O 3.4Å; I254-V287 HydrophobicContact CG2-CG2 3.79Å; I254-L383 HydrophobicContact CD1-CD1 3.62Å; I254-M386 HydrophobicContact CD1-CB 3.61Å; I254-M386 HydrophobicContact CD1-CE 3.82Å; I254-M386 HydrophobicContact CD1-CG 4.48Å; I254-M386 HydrophobicContact CD1-SD 4.09Å; I254-M386 HydrophobicContact CG1-CE 4.04Å; I254-V387 HydrophobicContact CD1-CG2 4.1Å; I254-V387 HydrophobicContact CG2-CG2 4.37Å; I254-L390 HydrophobicContact CG2-CD2 3.87Å
255	N	93.6	Very high	73.3	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.1	-171.6	-57.8	-43.7	0	0	0	110.9	Y232 Y234 K235 I274 V275 I277	Y232-N255 HydrophobicContact CD1-CB 3.39Å; Y232-N255 HydrophobicContact CD2-CB 4.43Å; Y232-N255 HydrophobicContact CE1-CB 3.76Å; Y232-N255 HydrophobicContact CG-CB 3.75Å; Y234-N255 WeakPolarHBondContact O-CA 3.43Å; K235-N255 WeakPolarHBondContact CA-OD1 3.33Å; K235-N255 WeakPolarHBondContact CB-OD1 3.23Å; K235-N255 VanDerWaalsContact CG-OD1 3.23Å; K235-N255 WeakPolarHBondContact CG-OD1 3.48Å; N255-I274 WeakPolarHBondContact O-CA 3.06Å; N255-V275 HydrophobicContact CB-CG2 4.29Å; N255-V275 PolarHBondContact N-O 3.07Å; N255-V275 PolarHBondContact O-N 3.46Å; N255-I277 WeakPolarHBondContact ND2-CD1 3.37Å
256	M	91.2	Very high	72	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.3	167.9	-174.5	178.8	-74	0	0	109.3	Y232 A233 Y234 Q272 I274 M318 L390 L391 A394	Y232-M256 CarbonylContact C-O 3.59Å; Y232-M256 WeakPolarHBondContact CA-O 3.2Å; A233-M256 PolarHBondContact N-O 3.16Å; Y234-M256 HydrophobicContact CD2-SD 4.22Å; Y234-M256 PolarHBondContact O-N 3.09Å; M256-Q272 HydrophobicContact CG-CB 4.06Å; M256-Q272 HydrophobicContact SD-CB 4.25Å; M256-I274 HydrophobicContact CE-CD1 4.43Å; M256-I274 HydrophobicContact CE-CG1 4.46Å; M256-M318 HydrophobicContact CE-CG 4.28Å; M256-M318 HydrophobicContact CE-SD 3.73Å; M256-L390 HydrophobicContact CB-CD1 4.35Å; M256-L390 HydrophobicContact CB-CD2 4.3Å; M256-L390 HydrophobicContact CE-CG 4.37Å; M256-L391 HydrophobicContact CE-CD2 4.18Å; M256-A394 HydrophobicContact CE-CB 3.53Å; M256-A394 HydrophobicContact SD-CB 3.8Å
257	M	88.1	Confident	71.2	Confident	47 Å²	47	76.3 Å²	76.3	23%	0.232	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	143	177.5	-66.7	-157.4	-179.3	0	0	111.7	R273 V275 E284	M257-R273 PolarHBondContact N-O 2.89Å; M257-V275 HydrophobicContact CE-CG1 3.79Å; M257-V275 HydrophobicContact CE-CG2 3.97Å; M257-E284 WeakPolarHBondContact CE-OE2 3.47Å
258	A	82.6	Confident	70.2	Confident	39 Å²	39	77.3 Å²	77.3	32%	0.322	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-70.4	149.2	172.6	0	0	0	0	0	111.2	K231 A233 G260	K231-A258 PolarHBondContact O-N 2.84Å; A233-A258 HydrophobicContact CB-CB 4.28Å; A258-G260 PolarHBondContact O-N 3.16Å; A258-G260 VanDerWaalsContact O-N 3.16Å
259	R	70.2	Confident	69	Low	204 Å²	204	79.6 Å²	79.6	77%	0.77	46%	0.457	S	S	*	.	S	Bend	trans	-70.6	107.3	172.4	-65.4	-175.2	-175.8	-170.8	-0.9	108.4	Q272	R259-Q272 HydrophobicContact CG-CG 3.57Å
260	G	60	Low	67.8	Low	60 Å²	60	81.1 Å²	81.1	62%	0.619	46%	0.457	S	S	*	.			trans	102	99.2	178.3	0	0	0	0	0	113.8	A258	A258-G260 PolarHBondContact O-N 3.16Å; A258-G260 VanDerWaalsContact O-N 3.16Å
261	G	51.8	Low	66.7	Low	55 Å²	55	82.5 Å²	82.5	57%	0.567	47%	0.473	S	S	*	.			trans	-84.6	152.9	160.9	0	0	0	0	0	110.4	D263	G261-D263 CarbonylContact O-C 3.53Å; G261-D263 PolarHBondContact O-N 2.87Å
262	K	48.5	Very low	66	Low	219 Å²	219	82.6 Å²	82.6	95%	0.952	47%	0.471	S	S	*	.	S	Bend	trans	-55.6	-7.6	178.2	-80	-178.6	172.8	-180	0	115.3	G264	K262-G264 VanDerWaalsContact C-N 3.3Å; K262-G264 PolarHBondContact O-N 3.09Å; K262-G264 VanDerWaalsContact O-N 3.14Å
263	D	45.4	Very low	65.7	Low	118 Å²	118	85 Å²	85	63%	0.631	48%	0.48	S	S	*	.			trans	-85.1	71.5	168.2	-62.5	-30.3	0	0	0	110.5	G261 S265 R267	G261-D263 CarbonylContact O-C 3.53Å; G261-D263 PolarHBondContact O-N 2.87Å; D263-S265 VanDerWaalsContact C-N 3.26Å; D263-S265 PolarHBondContact O-N 3.12Å; D263-R267 IonicContact OD2-NH1 3.39Å
264	G	40.3	Very low	65.7	Low	77 Å²	77	81.9 Å²	81.9	79%	0.794	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	42.2	-168.4	0	0	0	0	0	117.5	K262	K262-G264 VanDerWaalsContact C-N 3.3Å; K262-G264 PolarHBondContact O-N 3.09Å; K262-G264 VanDerWaalsContact O-N 3.14Å
265	S	42.8	Very low	65.6	Low	107 Å²	107	82.1 Å²	82.1	75%	0.748	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.7	-19.7	178	-172.7	0	0	0	0	117.5	D263	D263-S265 VanDerWaalsContact C-N 3.26Å; D263-S265 PolarHBondContact O-N 3.12Å
266	K	43.8	Very low	65.7	Low	184 Å²	184	82.1 Å²	82.1	80%	0.8	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.5	-6.9	-178.9	-72	-172.3	178	-179.9	0	117.3
267	R	48.1	Very low	65.8	Low	176 Å²	176	83.7 Å²	83.7	66%	0.664	48%	0.478	S	S	*	.	S	Bend	trans	-103.5	-6.2	-178.2	-74.1	-176.4	178.2	154.6	-1.1	114.9	D263 T269 I270	D263-R267 IonicContact OD2-NH1 3.39Å; R267-T269 PolarHBondContact O-N 3.3Å; R267-I270 PolarHBondContact O-N 3.21Å
268	A	47.3	Very low	66	Low	89 Å²	89	81.6 Å²	81.6	74%	0.736	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-22.5	-177.5	0	0	0	0	0	113.6	I270	A268-I270 VanDerWaalsContact C-N 3.33Å; A268-I270 PolarHBondContact O-N 3.18Å
269	T	49.1	Very low	66.3	Low	134 Å²	134	80.3 Å²	80.3	82%	0.822	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-14.6	-176.6	-17.4	0	0	0	0	113.7	R267	R267-T269 PolarHBondContact O-N 3.3Å
270	I	58.2	Low	67	Low	81 Å²	81	77 Å²	77	42%	0.415	44%	0.444	S	S	.	.	S	Bend	trans	-102.7	121.3	-175.3	-53.2	173.1	0	0	0	107.4	R267 A268 R273	R267-I270 PolarHBondContact O-N 3.21Å; A268-I270 VanDerWaalsContact C-N 3.33Å; A268-I270 PolarHBondContact O-N 3.18Å; I270-R273 HydrophobicContact CG2-CG 4.45Å; I270-R273 VanDerWaalsContact CG2-NE 3.28Å; I270-R273 VanDerWaalsContact CG2-NH2 3.33Å
271	G	64.5	Low	68.4	Low	37 Å²	37	74.5 Å²	74.5	38%	0.381	42%	0.417	S	S	.	.			trans	-58.2	-175.6	-173.7	0	0	0	0	0	114.8	R273	G271-R273 WeakPolarHBondContact O-CG 3.47Å; G271-R273 PolarHBondContact O-N 2.97Å
272	Q	77.3	Confident	69.8	Low	33 Å²	33	81.5 Å²	81.5	15%	0.154	43%	0.432	C	S	.	.			trans	-66.3	109.3	-177.3	-69	170.7	-81.5	0	0	110.5	M256 R259	M256-Q272 HydrophobicContact CG-CB 4.06Å; M256-Q272 HydrophobicContact SD-CB 4.25Å; R259-Q272 HydrophobicContact CG-CG 3.57Å
273	R	88.7	Confident	71.8	Confident	56 Å²	56	76.1 Å²	76.1	21%	0.211	41%	0.41	C	S	.	.			trans	-88.7	148.2	178.5	-51.9	-174.9	-167.8	-170.4	-3.8	111.3	M257 I270 G271 D325	M257-R273 PolarHBondContact N-O 2.89Å; I270-R273 HydrophobicContact CG2-CG 4.45Å; I270-R273 VanDerWaalsContact CG2-NE 3.28Å; I270-R273 VanDerWaalsContact CG2-NH2 3.33Å; G271-R273 WeakPolarHBondContact O-CG 3.47Å; G271-R273 PolarHBondContact O-N 2.97Å; R273-D325 WeakPolarHBondContact CD-OD2 3.19Å; R273-D325 IonicContact CZ-OD1 2.77Å; R273-D325 IonicContact CZ-OD2 3.52Å; R273-D325 IonicContact NE-OD2 3.77Å; R273-D325 IonicContact NH1-OD1 2.96Å; R273-D325 PolarHBondContact NH1-OD1 2.96Å; R273-D325 IonicContact NH1-OD2 2.7Å; R273-D325 PolarHBondContact NH1-OD2 3.43Å
274	I	93.1	Very high	74	Confident	3 Å²	3	73 Å²	73	2%	0.015	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.4	176.2	-49.3	178.8	0	0	0	109.7	I254 N255 M256 V287 S322 V387 L390 L391	I254-I274 HydrophobicContact CG2-CG2 3.47Å; I254-I274 VanDerWaalsContact CG2-CG2 3.47Å; N255-I274 WeakPolarHBondContact O-CA 3.06Å; M256-I274 HydrophobicContact CE-CD1 4.43Å; M256-I274 HydrophobicContact CE-CG1 4.46Å; I274-V287 HydrophobicContact CB-CG2 4.29Å; I274-V287 HydrophobicContact CG2-CG2 3.62Å; I274-V287 PolarHBondContact O-N 2.97Å; I274-S322 PolarHBondContact N-OG 3.01Å; I274-V387 HydrophobicContact CD1-CG1 4.02Å; I274-L390 HydrophobicContact CG2-CD2 3.77Å; I274-L391 HydrophobicContact CD1-CD2 3.95Å
275	V	93.5	Very high	76.5	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.03	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.4	-178.9	-65.2	0	0	0	0	111.4	Y232 I254 N255 M257 E284 I285	Y232-V275 HydrophobicContact CE1-CG2 4.24Å; I254-V275 CarbonylContact C-O 3.58Å; I254-V275 WeakPolarHBondContact CA-O 3.4Å; N255-V275 HydrophobicContact CB-CG2 4.29Å; N255-V275 PolarHBondContact N-O 3.07Å; N255-V275 PolarHBondContact O-N 3.46Å; M257-V275 HydrophobicContact CE-CG1 3.79Å; M257-V275 HydrophobicContact CE-CG2 3.97Å; V275-E284 HydrophobicContact CB-CB 4.17Å; V275-E284 HydrophobicContact CG2-CB 4.23Å; V275-E284 HydrophobicContact CG2-CG 4.3Å; V275-I285 CarbonylContact C-O 3.6Å
276	A	94.5	Very high	78.9	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	144.8	172.5	0	0	0	0	0	111.6	W253 L278 I285 V287 V290	W253-A276 CarbonylContact O-C 3.53Å; W253-A276 VanDerWaalsContact O-CA 3.24Å; W253-A276 WeakPolarHBondContact O-CA 3.45Å; A276-L278 HydrophobicContact CB-CD2 4.36Å; A276-I285 PolarHBondContact N-O 2.92Å; A276-I285 PolarHBondContact O-N 3.34Å; A276-V287 HydrophobicContact CB-CG2 4.06Å; A276-V290 HydrophobicContact CB-CG2 4.27Å
277	I	94.1	Very high	81.3	Confident	33 Å²	33	56.4 Å²	56.4	17%	0.169	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	103.1	167.9	-57.7	173	0	0	0	106.7	W253 N255 E284	W253-I277 HydrophobicContact CB-CB 4.25Å; W253-I277 HydrophobicContact CE3-CB 3.85Å; W253-I277 HydrophobicContact CE3-CG2 3.66Å; W253-I277 HydrophobicContact CZ3-CG2 4.03Å; W253-I277 PolarHBondContact N-O 2.84Å; W253-I277 PolarHBondContact O-N 2.84Å; N255-I277 WeakPolarHBondContact ND2-CD1 3.37Å; I277-E284 HydrophobicContact CD1-CG 4.27Å; I277-E284 HydrophobicContact CG1-CG 3.97Å
278	L	92.2	Very high	83.4	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.016	26%	0.255	C	S	.	.			trans	-78.2	150.5	-179.8	-56.1	-177.3	0	0	0	111	L252 A276 Y280 I281 I285 V290 I339 L361 T365	L252-L278 HydrophobicContact CD1-CD2 3.48Å; L252-L278 VanDerWaalsContact CD1-CD2 3.48Å; A276-L278 HydrophobicContact CB-CD2 4.36Å; L278-Y280 PolarHBondContact O-N 2.81Å; L278-I281 HydrophobicContact CB-CB 4.21Å; L278-I281 HydrophobicContact CB-CG1 3.87Å; L278-I281 PolarHBondContact O-N 2.97Å; L278-I285 HydrophobicContact CD1-CD1 3.74Å; L278-I285 HydrophobicContact CG-CD1 4.1Å; L278-V290 HydrophobicContact CD1-CG2 4.48Å; L278-V290 HydrophobicContact CD2-CG1 4.48Å; L278-V290 HydrophobicContact CD2-CG2 4.45Å; L278-I339 HydrophobicContact CD1-CD1 4.4Å; L278-I339 HydrophobicContact CD1-CG2 4.23Å; L278-L361 HydrophobicContact CD1-CD2 4.16Å; L278-T365 HydrophobicContact CB-CG2 4.46Å; L278-T365 HydrophobicContact CD2-CG2 3.97Å
279	P	88.9	Confident	85.6	Confident	12 Å²	12	44 Å²	44	8%	0.078	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	137.4	170.5	-24.2	32.8	0	0	0	111.6	I281 E364	P279-I281 PolarHBondContact O-N 3.26Å; P279-E364 HydrophobicContact CB-CB 4.35Å
280	Y	85.8	Confident	87.8	Confident	135 Å²	135	37.8 Å²	37.8	53%	0.529	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-0.7	-179.9	-46	-83.2	0	0	0	116.7	L278 E364	L278-Y280 PolarHBondContact O-N 2.81Å; Y280-E364 HydrophobicContact CD2-CB 4.26Å; Y280-E364 HydrophobicContact CD2-CG 4.07Å; Y280-E364 HydrophobicContact CE2-CB 4.05Å; Y280-E364 HydrophobicContact CE2-CG 3.75Å; Y280-E364 WeakPolarHBondContact CE2-OE2 3.35Å; Y280-E364 PolarHBondContact OH-OE2 2.78Å
281	I	89.5	Confident	89.6	Confident	8 Å²	8	33.9 Å²	33.9	4%	0.041	16%	0.162	C	C	.	.			trans	-97.5	124.8	173.2	-53.8	-60.1	0	0	0	109.6	L278 P279 Q283 I285 I339 R342 G343 I360	L278-I281 HydrophobicContact CB-CB 4.21Å; L278-I281 HydrophobicContact CB-CG1 3.87Å; L278-I281 PolarHBondContact O-N 2.97Å; P279-I281 PolarHBondContact O-N 3.26Å; I281-Q283 WeakPolarHBondContact CG2-O 3.43Å; I281-I285 HydrophobicContact CG1-CD1 4.5Å; I281-I285 HydrophobicContact CG2-CD1 3.85Å; I281-I285 HydrophobicContact CG2-CG1 4.49Å; I281-I339 HydrophobicContact CD1-CG2 4.21Å; I281-I339 HydrophobicContact CG1-CG2 4.42Å; I281-R342 HydrophobicContact CG2-CB 3.95Å; I281-G343 VanDerWaalsContact CD1-CA 3.46Å; I281-I360 HydrophobicContact CD1-CD1 3.77Å
282	K	81.3	Confident	91	Very high	202 Å²	202	32.4 Å²	32.4	88%	0.878	15%	0.145	S	C	*	.			trans	-78	-24.9	-175.8	-67.6	-175.6	179.1	-178	0	114.1
283	Q	89.4	Confident	91.8	Very high	106 Å²	106	30.9 Å²	30.9	50%	0.495	14%	0.138	S	C	.	.	S	Bend	trans	-105.6	149	-175.4	-67.2	-173.6	14	0	0	111.4	I281 R342	I281-Q283 WeakPolarHBondContact CG2-O 3.43Å; Q283-R342 HydrophobicContact CB-CB 4.21Å; Q283-R342 HydrophobicContact CB-CG 4.11Å; Q283-R342 HydrophobicContact CG-CG 4.48Å; Q283-R342 VanDerWaalsContact OE1-NE 3.07Å
284	E	90.9	Very high	91.9	Very high	53 Å²	53	28.7 Å²	28.7	25%	0.248	13%	0.131	C	C	.	.			trans	-65.8	136.9	172.1	-64	158.9	-140.2	0	0	110.3	K231 Y232 M257 V275 I277	K231-E284 IonicContact NZ-OE1 2.7Å; K231-E284 PolarHBondContact NZ-OE1 2.86Å; K231-E284 IonicContact NZ-OE2 3.72Å; K231-E284 PolarHBondContact NZ-OE2 3.34Å; Y232-E284 PolarHBondContact OH-OE1 2.93Å; M257-E284 WeakPolarHBondContact CE-OE2 3.47Å; V275-E284 HydrophobicContact CB-CB 4.17Å; V275-E284 HydrophobicContact CG2-CB 4.23Å; V275-E284 HydrophobicContact CG2-CG 4.3Å; I277-E284 HydrophobicContact CD1-CG 4.27Å; I277-E284 HydrophobicContact CG1-CG 3.97Å
285	I	93.4	Very high	91.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.2	178.1	-62	161.4	0	0	0	108.2	V275 A276 L278 I281 V287 I289 V290 F338 I339	V275-I285 CarbonylContact C-O 3.6Å; A276-I285 PolarHBondContact N-O 2.92Å; A276-I285 PolarHBondContact O-N 3.34Å; L278-I285 HydrophobicContact CD1-CD1 3.74Å; L278-I285 HydrophobicContact CG-CD1 4.1Å; I281-I285 HydrophobicContact CG1-CD1 4.5Å; I281-I285 HydrophobicContact CG2-CD1 3.85Å; I281-I285 HydrophobicContact CG2-CG1 4.49Å; I285-V287 PolarHBondContact O-N 3.23Å; I285-I289 HydrophobicContact CG2-CB 4.14Å; I285-I289 HydrophobicContact CG2-CG2 4.21Å; I285-V290 HydrophobicContact CB-CG2 4.47Å; I285-V290 HydrophobicContact CG2-CG2 3.88Å; I285-F338 HydrophobicContact CG2-CE1 4.44Å; I285-I339 HydrophobicContact CD1-CB 4.32Å; I285-I339 HydrophobicContact CD1-CG1 3.92Å; I285-I339 HydrophobicContact CD1-CG2 3.99Å; I285-I339 HydrophobicContact CG2-CG1 4.39Å
286	P	93.9	Very high	91.7	Very high	16 Å²	16	31.6 Å²	31.6	10%	0.104	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	131.5	170.6	-27.5	33.8	0	0	0	112	L288 I289	P286-L288 PolarHBondContact O-N 3.14Å; P286-I289 HydrophobicContact CB-CD1 3.92Å; P286-I289 HydrophobicContact CB-CG1 4.19Å; P286-I289 HydrophobicContact CG-CD1 3.79Å; P286-I289 WeakPolarHBondContact O-CB 3.37Å; P286-I289 PolarHBondContact O-N 3.45Å
287	V	93	Very high	91.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-57.2	-37.9	-171.8	171.7	0	0	0	0	112.4	I254 I274 A276 I285 I289 V290 F291 V387	I254-V287 HydrophobicContact CG2-CG2 3.79Å; I274-V287 HydrophobicContact CB-CG2 4.29Å; I274-V287 HydrophobicContact CG2-CG2 3.62Å; I274-V287 PolarHBondContact O-N 2.97Å; A276-V287 HydrophobicContact CB-CG2 4.06Å; I285-V287 PolarHBondContact O-N 3.23Å; V287-I289 VanDerWaalsContact C-N 3.27Å; V287-I289 PolarHBondContact O-N 3.03Å; V287-V290 WeakPolarHBondContact O-CA 3.16Å; V287-V290 VanDerWaalsContact O-CB 3.23Å; V287-V290 WeakPolarHBondContact O-CB 3.46Å; V287-V290 PolarHBondContact O-N 3.13Å; V287-F291 HydrophobicContact CG1-CD2 3.89Å; V287-F291 HydrophobicContact CG1-CE2 3.68Å; V287-F291 PolarHBondContact O-N 3.48Å; V287-V387 HydrophobicContact CG1-CG2 3.74Å
288	L	93.2	Very high	91.4	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-67.7	-26.7	-178.8	-80.9	67.7	0	0	0	113.1	P286 V290 F291 R292 I302 L323 A326	P286-L288 PolarHBondContact O-N 3.14Å; L288-V290 VanDerWaalsContact C-N 3.25Å; L288-V290 PolarHBondContact O-N 3.43Å; L288-F291 PolarHBondContact O-N 3.19Å; L288-R292 WeakPolarHBondContact O-CG 3.49Å; L288-R292 PolarHBondContact O-N 3.09Å; L288-I302 HydrophobicContact CG-CG2 4.23Å; L288-L323 VanDerWaalsContact CD2-CA 3.45Å; L288-L323 HydrophobicContact CD2-CB 4.06Å; L288-L323 HydrophobicContact CD2-CD2 3.28Å; L288-L323 HydrophobicContact CD2-CG 3.53Å; L288-A326 HydrophobicContact CB-CB 3.55Å; L288-A326 HydrophobicContact CD2-CB 4.28Å
289	I	94.3	Very high	91.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-68.7	-30.6	171.7	-63.2	172	0	0	0	110.3	I285 P286 V287 A293 A326 I329 A335 F338	I285-I289 HydrophobicContact CG2-CB 4.14Å; I285-I289 HydrophobicContact CG2-CG2 4.21Å; P286-I289 HydrophobicContact CB-CD1 3.92Å; P286-I289 HydrophobicContact CB-CG1 4.19Å; P286-I289 HydrophobicContact CG-CD1 3.79Å; P286-I289 WeakPolarHBondContact O-CB 3.37Å; P286-I289 PolarHBondContact O-N 3.45Å; V287-I289 VanDerWaalsContact C-N 3.27Å; V287-I289 PolarHBondContact O-N 3.03Å; I289-A293 WeakPolarHBondContact O-CB 3.18Å; I289-A293 PolarHBondContact O-N 3.44Å; I289-A326 HydrophobicContact CG1-CB 4.09Å; I289-I329 HydrophobicContact CD1-CD1 3.75Å; I289-I329 HydrophobicContact CG1-CD1 4.27Å; I289-I329 HydrophobicContact CG2-CD1 4.38Å; I289-A335 HydrophobicContact CG2-CB 3.95Å; I289-F338 HydrophobicContact CD1-CD1 4.06Å; I289-F338 HydrophobicContact CD1-CE1 3.45Å; I289-F338 VanDerWaalsContact CD1-CE1 3.45Å; I289-F338 HydrophobicContact CD1-CZ 3.76Å; I289-F338 HydrophobicContact CG2-CD1 3.79Å; I289-F338 HydrophobicContact CG2-CE1 4.2Å
290	V	94.4	Very high	91.4	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.024	22%	0.223	C	C	.	.	H	α-helix	trans	-67.7	-43.9	173.8	-173.1	0	0	0	0	110.4	A276 L278 I285 V287 L288 R292 A293 L294 L361 L383	A276-V290 HydrophobicContact CB-CG2 4.27Å; L278-V290 HydrophobicContact CD1-CG2 4.48Å; L278-V290 HydrophobicContact CD2-CG1 4.48Å; L278-V290 HydrophobicContact CD2-CG2 4.45Å; I285-V290 HydrophobicContact CB-CG2 4.47Å; I285-V290 HydrophobicContact CG2-CG2 3.88Å; V287-V290 WeakPolarHBondContact O-CA 3.16Å; V287-V290 VanDerWaalsContact O-CB 3.23Å; V287-V290 WeakPolarHBondContact O-CB 3.46Å; V287-V290 PolarHBondContact O-N 3.13Å; L288-V290 VanDerWaalsContact C-N 3.25Å; L288-V290 PolarHBondContact O-N 3.43Å; V290-R292 PolarHBondContact O-N 3.37Å; V290-A293 WeakPolarHBondContact O-CB 3.31Å; V290-A293 PolarHBondContact O-N 3.28Å; V290-A293 VanDerWaalsContact O-N 3.13Å; V290-L294 WeakPolarHBondContact O-CG 3Å; V290-L294 PolarHBondContact O-N 3.02Å; V290-L361 HydrophobicContact CG1-CD2 4.18Å; V290-L383 HydrophobicContact CB-CD2 4.22Å; V290-L383 HydrophobicContact CG1-CD2 3.82Å
291	F	94.8	Very high	91.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.8	-45.7	173.1	-82.6	-81.6	0	0	0	112.6	V287 L288 A293 L294 G295 F296 I302 H305 I306 A380 L383	V287-F291 HydrophobicContact CG1-CD2 3.89Å; V287-F291 HydrophobicContact CG1-CE2 3.68Å; V287-F291 PolarHBondContact O-N 3.48Å; L288-F291 PolarHBondContact O-N 3.19Å; F291-A293 VanDerWaalsContact C-N 3.26Å; F291-A293 PolarHBondContact O-N 3Å; F291-L294 WeakPolarHBondContact O-CB 3.32Å; F291-L294 PolarHBondContact O-N 2.82Å; F291-L294 VanDerWaalsContact O-N 3.1Å; F291-G295 PolarHBondContact O-N 2.88Å; F291-F296 PolarHBondContact O-N 3.42Å; F291-F296 VanDerWaalsContact O-N 3.15Å; F291-I302 HydrophobicContact CB-CD1 3.91Å; F291-I302 HydrophobicContact CB-CG1 3.9Å; F291-I302 HydrophobicContact CB-CG2 3.94Å; F291-I302 HydrophobicContact CD1-CG2 4.11Å; F291-I302 HydrophobicContact CD2-CG2 3.83Å; F291-I302 HydrophobicContact CE2-CG2 4.34Å; F291-I302 HydrophobicContact CG-CG1 4.4Å; F291-I302 HydrophobicContact CG-CG2 3.7Å; F291-H305 HydrophobicContact CE1-CB 4.06Å; F291-I306 HydrophobicContact CE2-CD1 3.84Å; F291-I306 HydrophobicContact CE2-CG1 4.18Å; F291-I306 HydrophobicContact CZ-CD1 4.11Å; F291-I306 HydrophobicContact CZ-CG1 3.94Å; F291-A380 HydrophobicContact CD1-CB 4.33Å; F291-A380 HydrophobicContact CE1-CB 4.2Å; F291-A380 WeakPolarHBondContact CE1-O 3.28Å; F291-L383 HydrophobicContact CD2-CD2 4.03Å; F291-L383 HydrophobicContact CE1-CD2 4.42Å; F291-L383 HydrophobicContact CE2-CD2 3.78Å; F291-L383 HydrophobicContact CE2-CG 4.01Å; F291-L383 HydrophobicContact CG-CD2 4.46Å; F291-L383 HydrophobicContact CZ-CB 4.15Å; F291-L383 HydrophobicContact CZ-CD2 4Å; F291-L383 HydrophobicContact CZ-CG 4Å
292	R	94.5	Very high	91.7	Very high	5 Å²	5	42 Å²	42	2%	0.019	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-34.4	174.7	-69	-179.2	-179	-83.7	-0.2	112.7	L288 V290 G295 F296 V297 D299 I302 I329 Q330 Q332 A335	L288-R292 WeakPolarHBondContact O-CG 3.49Å; L288-R292 PolarHBondContact O-N 3.09Å; V290-R292 PolarHBondContact O-N 3.37Å; R292-G295 PolarHBondContact O-N 2.88Å; R292-F296 VanDerWaalsContact CA-O 3.29Å; R292-F296 WeakPolarHBondContact CA-O 3.31Å; R292-F296 WeakPolarHBondContact CG-O 3.11Å; R292-V297 PolarHBondContact NH1-O 3.34Å; R292-V297 PolarHBondContact NH2-O 2.88Å; R292-D299 IonicContact CZ-OD1 3.64Å; R292-D299 VanDerWaalsContact NH2-CG 3.35Å; R292-D299 IonicContact NH2-OD1 3.75Å; R292-D299 PolarHBondContact NH2-OD1 3.39Å; R292-D299 IonicContact NH2-OD2 3.31Å; R292-D299 PolarHBondContact NH2-OD2 3.38Å; R292-I302 HydrophobicContact CG-CD1 4.07Å; R292-I329 WeakPolarHBondContact CD-O 3.48Å; R292-I329 PolarHBondContact NE-O 2.85Å; R292-I329 VanDerWaalsContact NE-O 3.15Å; R292-Q330 PolarHBondContact NH1-O 2.93Å; R292-Q332 WeakPolarHBondContact O-CA 3.27Å; R292-Q332 WeakPolarHBondContact O-CB 3.43Å; R292-Q332 WeakPolarHBondContact O-CG 3.47Å; R292-A335 HydrophobicContact CB-CB 4.15Å
293	A	93.6	Very high	92.2	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.017	18%	0.178	C	C	.	.	H	α-helix	trans	-70.8	-30.8	175	0	0	0	0	0	113	I289 V290 F291 G295 Q332 A335 L336 I339 L361	I289-A293 WeakPolarHBondContact O-CB 3.18Å; I289-A293 PolarHBondContact O-N 3.44Å; V290-A293 WeakPolarHBondContact O-CB 3.31Å; V290-A293 PolarHBondContact O-N 3.28Å; V290-A293 VanDerWaalsContact O-N 3.13Å; F291-A293 VanDerWaalsContact C-N 3.26Å; F291-A293 PolarHBondContact O-N 3Å; A293-G295 PolarHBondContact O-N 3.19Å; A293-Q332 WeakPolarHBondContact O-CG 3.41Å; A293-Q332 PolarHBondContact O-NE2 3.47Å; A293-A335 HydrophobicContact CB-CB 3.97Å; A293-L336 HydrophobicContact CB-CD2 4.03Å; A293-L336 HydrophobicContact CB-CG 4.31Å; A293-I339 HydrophobicContact CB-CD1 3.6Å; A293-L361 HydrophobicContact CB-CD1 3.72Å
294	L	92	Very high	92.2	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.052	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-7.6	172.9	-69.9	171.7	0	0	0	113.6	V290 F291 F296 L361 A380 L383	V290-L294 WeakPolarHBondContact O-CG 3Å; V290-L294 PolarHBondContact O-N 3.02Å; F291-L294 WeakPolarHBondContact O-CB 3.32Å; F291-L294 PolarHBondContact O-N 2.82Å; F291-L294 VanDerWaalsContact O-N 3.1Å; L294-F296 HydrophobicContact CB-CD2 4.28Å; L294-L361 HydrophobicContact CD2-CB 4.49Å; L294-A380 HydrophobicContact CD1-CB 4.16Å; L294-L383 HydrophobicContact CD1-CD2 4.16Å
295	G	91	Very high	92.2	Very high	35 Å²	35	28.4 Å²	28.4	36%	0.361	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	115	-10.3	175.6	0	0	0	0	0	115.1	F291 R292 A293 V297	F291-G295 PolarHBondContact O-N 2.88Å; R292-G295 PolarHBondContact O-N 2.88Å; A293-G295 PolarHBondContact O-N 3.19Å; G295-V297 PolarHBondContact O-N 3.03Å
296	F	91.2	Very high	92.1	Very high	33 Å²	33	28.4 Å²	28.4	15%	0.145	15%	0.153	C	C	.	.			trans	-86.2	100.1	-177.8	-61.8	-84.3	0	0	0	111.1	F291 R292 L294 D301 I302 H305 T377 A380	F291-F296 PolarHBondContact O-N 3.42Å; F291-F296 VanDerWaalsContact O-N 3.15Å; R292-F296 VanDerWaalsContact CA-O 3.29Å; R292-F296 WeakPolarHBondContact CA-O 3.31Å; R292-F296 WeakPolarHBondContact CG-O 3.11Å; L294-F296 HydrophobicContact CB-CD2 4.28Å; F296-D301 HydrophobicContact CD1-CB 4.26Å; F296-I302 HydrophobicContact CB-CG1 3.94Å; F296-I302 WeakPolarHBondContact O-CD1 3.31Å; F296-H305 AromaticContact CD1-CE1 3.71Å; F296-H305 AromaticContact CE1-CE1 3.36Å; F296-H305 WeakPolarHBondContact CE1-CE1 3.37Å; F296-H305 AromaticContact CE1-NE2 3.52Å; F296-H305 AromaticContact CZ-CE1 3.95Å; F296-H305 AromaticContact CZ-NE2 3.64Å; F296-T377 HydrophobicContact CZ-CG2 4.37Å; F296-A380 HydrophobicContact CD2-CB 3.73Å; F296-A380 HydrophobicContact CE2-CB 3.17Å; F296-A380 HydrophobicContact CZ-CB 3.86Å
297	V	89.8	Confident	92	Very high	66 Å²	66	27.8 Å²	27.8	40%	0.4	15%	0.149	S	C	.	.			trans	-92.7	-33	-176	171.8	0	0	0	0	112.7	R292 G295 Q330	R292-V297 PolarHBondContact NH1-O 3.34Å; R292-V297 PolarHBondContact NH2-O 2.88Å; G295-V297 PolarHBondContact O-N 3.03Å; V297-Q330 WeakPolarHBondContact CG1-O 2.93Å
298	A	91.8	Very high	91.7	Very high	44 Å²	44	28.4 Å²	28.4	36%	0.364	15%	0.151	S	C	.	.	S	Bend	trans	-77	129.3	178.9	0	0	0	0	0	110.3	R300 D301 I302	A298-R300 PolarHBondContact O-N 2.99Å; A298-D301 HydrophobicContact CB-CB 4.38Å; A298-D301 PolarHBondContact O-N 3.34Å; A298-I302 WeakPolarHBondContact O-CG1 3.24Å; A298-I302 PolarHBondContact O-N 3.06Å
299	D	90.9	Very high	91.3	Very high	60 Å²	60	32.5 Å²	32.5	32%	0.321	17%	0.173	S	C	.	.	H	α-helix	trans	-62.7	-30.8	180	-68.2	-43.8	0	0	0	112	R292 I302 L303 L323	R292-D299 IonicContact CZ-OD1 3.64Å; R292-D299 VanDerWaalsContact NH2-CG 3.35Å; R292-D299 IonicContact NH2-OD1 3.75Å; R292-D299 PolarHBondContact NH2-OD1 3.39Å; R292-D299 IonicContact NH2-OD2 3.31Å; R292-D299 PolarHBondContact NH2-OD2 3.38Å; D299-I302 PolarHBondContact O-N 3.4Å; D299-L303 WeakPolarHBondContact O-CB 3.41Å; D299-L303 VanDerWaalsContact O-CG 3.29Å; D299-L303 WeakPolarHBondContact O-CG 3.48Å; D299-L303 PolarHBondContact O-N 2.93Å; D299-L323 HydrophobicContact CB-CD2 3.97Å
300	R	90.7	Very high	90.8	Very high	175 Å²	175	35.8 Å²	35.8	66%	0.66	19%	0.187	S	C	*	.	H	α-helix	trans	-60.2	-51.1	174.4	-179	176	176.6	154.3	2	111	A298 I302 L303 E304	A298-R300 PolarHBondContact O-N 2.99Å; R300-I302 VanDerWaalsContact C-N 3.3Å; R300-I302 PolarHBondContact O-N 3.1Å; R300-L303 WeakPolarHBondContact O-CB 3.28Å; R300-L303 PolarHBondContact O-N 3.17Å; R300-L303 VanDerWaalsContact O-N 3.11Å; R300-E304 HydrophobicContact CG-CG 4.4Å; R300-E304 WeakPolarHBondContact CG-OE1 3.43Å; R300-E304 IonicContact CZ-OE1 2.68Å; R300-E304 IonicContact NE-OE1 2.91Å; R300-E304 PolarHBondContact NE-OE1 3.13Å; R300-E304 IonicContact NH2-OE1 2.61Å; R300-E304 WeakPolarHBondContact O-CG 3.47Å; R300-E304 PolarHBondContact O-N 3.16Å
301	D	90.2	Very high	90.4	Very high	64 Å²	64	42.2 Å²	42.2	34%	0.342	22%	0.222	S	C	.	.	H	α-helix	trans	-59.1	-44.3	178.7	-52.4	-1.2	0	0	0	110.2	F296 A298 L303 E304 H305	F296-D301 HydrophobicContact CD1-CB 4.26Å; A298-D301 HydrophobicContact CB-CB 4.38Å; A298-D301 PolarHBondContact O-N 3.34Å; D301-L303 VanDerWaalsContact C-N 3.32Å; D301-L303 PolarHBondContact O-N 2.95Å; D301-E304 WeakPolarHBondContact O-CB 3.4Å; D301-E304 PolarHBondContact O-N 3.26Å; D301-E304 VanDerWaalsContact O-N 3.14Å; D301-H305 PolarHBondContact O-N 2.87Å; D301-H305 PolarHBondContact O-ND1 2.93Å
302	I	91.8	Very high	90.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-44.5	177.2	-59.6	174.6	0	0	0	111.1	L288 F291 R292 F296 A298 D299 R300 E304 H305 I306	L288-I302 HydrophobicContact CG-CG2 4.23Å; F291-I302 HydrophobicContact CB-CD1 3.91Å; F291-I302 HydrophobicContact CB-CG1 3.9Å; F291-I302 HydrophobicContact CB-CG2 3.94Å; F291-I302 HydrophobicContact CD1-CG2 4.11Å; F291-I302 HydrophobicContact CD2-CG2 3.83Å; F291-I302 HydrophobicContact CE2-CG2 4.34Å; F291-I302 HydrophobicContact CG-CG1 4.4Å; F291-I302 HydrophobicContact CG-CG2 3.7Å; R292-I302 HydrophobicContact CG-CD1 4.07Å; F296-I302 HydrophobicContact CB-CG1 3.94Å; F296-I302 WeakPolarHBondContact O-CD1 3.31Å; A298-I302 WeakPolarHBondContact O-CG1 3.24Å; A298-I302 PolarHBondContact O-N 3.06Å; D299-I302 PolarHBondContact O-N 3.4Å; R300-I302 VanDerWaalsContact C-N 3.3Å; R300-I302 PolarHBondContact O-N 3.1Å; I302-E304 VanDerWaalsContact C-N 3.32Å; I302-H305 PolarHBondContact O-N 2.83Å; I302-I306 HydrophobicContact CG2-CD1 4Å; I302-I306 WeakPolarHBondContact O-CG1 3.44Å; I302-I306 PolarHBondContact O-N 2.81Å
303	L	92	Very high	90	Very high	27 Å²	27	46.9 Å²	46.9	14%	0.141	25%	0.25	C	C	.	.	H	α-helix	trans	-64.8	-37.2	177.2	-72.2	173.1	0	0	0	111.8	D299 R300 D301 H305 I306 I307 F310 I319 L323	D299-L303 WeakPolarHBondContact O-CB 3.41Å; D299-L303 VanDerWaalsContact O-CG 3.29Å; D299-L303 WeakPolarHBondContact O-CG 3.48Å; D299-L303 PolarHBondContact O-N 2.93Å; R300-L303 WeakPolarHBondContact O-CB 3.28Å; R300-L303 PolarHBondContact O-N 3.17Å; R300-L303 VanDerWaalsContact O-N 3.11Å; D301-L303 VanDerWaalsContact C-N 3.32Å; D301-L303 PolarHBondContact O-N 2.95Å; L303-H305 PolarHBondContact O-N 2.83Å; L303-I306 PolarHBondContact O-N 3.27Å; L303-I307 HydrophobicContact CD2-CD1 4.31Å; L303-I307 PolarHBondContact O-N 3.42Å; L303-F310 HydrophobicContact CB-CE1 3.88Å; L303-F310 HydrophobicContact CB-CZ 3.85Å; L303-I319 HydrophobicContact CD2-CD1 4.24Å; L303-I319 HydrophobicContact CD2-CG2 3.64Å; L303-L323 HydrophobicContact CD1-CD1 4.26Å; L303-L323 HydrophobicContact CD2-CD1 4.19Å
304	E	89.7	Confident	89.9	Confident	40 Å²	40	51.8 Å²	51.8	19%	0.187	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-29.4	178.6	-76.7	177.6	-173.4	0	0	111.9	R300 D301 I302 F310 P576	R300-E304 HydrophobicContact CG-CG 4.4Å; R300-E304 WeakPolarHBondContact CG-OE1 3.43Å; R300-E304 IonicContact CZ-OE1 2.68Å; R300-E304 IonicContact NE-OE1 2.91Å; R300-E304 PolarHBondContact NE-OE1 3.13Å; R300-E304 IonicContact NH2-OE1 2.61Å; R300-E304 WeakPolarHBondContact O-CG 3.47Å; R300-E304 PolarHBondContact O-N 3.16Å; D301-E304 WeakPolarHBondContact O-CB 3.4Å; D301-E304 PolarHBondContact O-N 3.26Å; D301-E304 VanDerWaalsContact O-N 3.14Å; I302-E304 VanDerWaalsContact C-N 3.32Å; E304-F310 HydrophobicContact CB-CE2 4.09Å; E304-F310 HydrophobicContact CB-CZ 4.08Å; E304-F310 HydrophobicContact CG-CE2 3.36Å; E304-F310 HydrophobicContact CG-CZ 3.33Å; E304-P576 HydrophobicContact CB-CB 3.82Å; E304-P576 HydrophobicContact CB-CG 4.1Å
305	H	90.1	Very high	89.8	Confident	9 Å²	9	51.5 Å²	51.5	4%	0.042	27%	0.271	C	S	.	.	H	α-helix	trans	-77.6	-22	174.1	-68.5	73.7	0	0	0	113.5	F291 F296 D301 I302 L303 Y381 G384	F291-H305 HydrophobicContact CE1-CB 4.06Å; F296-H305 AromaticContact CD1-CE1 3.71Å; F296-H305 AromaticContact CE1-CE1 3.36Å; F296-H305 WeakPolarHBondContact CE1-CE1 3.37Å; F296-H305 AromaticContact CE1-NE2 3.52Å; F296-H305 AromaticContact CZ-CE1 3.95Å; F296-H305 AromaticContact CZ-NE2 3.64Å; D301-H305 PolarHBondContact O-N 2.87Å; D301-H305 PolarHBondContact O-ND1 2.93Å; I302-H305 PolarHBondContact O-N 2.83Å; L303-H305 PolarHBondContact O-N 2.83Å; H305-Y381 AromaticContact CD2-CD1 3.63Å; H305-Y381 AromaticContact CD2-CD2 3.99Å; H305-Y381 AromaticContact CD2-CE1 3.77Å; H305-Y381 AromaticContact CD2-CG 3.74Å; H305-Y381 AromaticContact NE2-CE2 3.92Å; H305-Y381 AromaticContact NE2-CZ 3.91Å; H305-G384 CarbonylContact O-C 3.58Å; H305-G384 VanDerWaalsContact O-CA 3.29Å; H305-G384 WeakPolarHBondContact O-CA 3.38Å
306	I	92	Very high	89.6	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-101.3	-41.2	-175.1	-60.8	169.4	0	0	0	111.8	F291 I302 L303 I319 V387 H388 L391	F291-I306 HydrophobicContact CE2-CD1 3.84Å; F291-I306 HydrophobicContact CE2-CG1 4.18Å; F291-I306 HydrophobicContact CZ-CD1 4.11Å; F291-I306 HydrophobicContact CZ-CG1 3.94Å; I302-I306 HydrophobicContact CG2-CD1 4Å; I302-I306 WeakPolarHBondContact O-CG1 3.44Å; I302-I306 PolarHBondContact O-N 2.81Å; L303-I306 PolarHBondContact O-N 3.27Å; I306-I319 HydrophobicContact CB-CD1 4.42Å; I306-I319 HydrophobicContact CD1-CD1 3.52Å; I306-I319 HydrophobicContact CG2-CD1 3.88Å; I306-V387 HydrophobicContact CD1-CG1 4.29Å; I306-V387 HydrophobicContact CG1-CB 4.39Å; I306-V387 HydrophobicContact CG1-CG1 4.49Å; I306-V387 HydrophobicContact CG2-CB 3.98Å; I306-V387 HydrophobicContact CG2-CG1 3.64Å; I306-H388 WeakPolarHBondContact O-CB 3.47Å; I306-H388 PolarHBondContact O-ND1 3.34Å; I306-L391 HydrophobicContact CG2-CD1 3.91Å
307	I	90.8	Very high	89.5	Confident	2 Å²	2	60 Å²	60	1%	0.01	30%	0.297	C	S	.	.			trans	-119.2	104.5	-173.4	-51.3	-177.9	0	0	0	107.5	L303 D309 F310 M315 R316 I319	L303-I307 HydrophobicContact CD2-CD1 4.31Å; L303-I307 PolarHBondContact O-N 3.42Å; I307-D309 VanDerWaalsContact C-N 3.28Å; I307-D309 WeakPolarHBondContact CG2-O 3.5Å; I307-D309 PolarHBondContact O-N 3.15Å; I307-F310 WeakPolarHBondContact O-CE2 3.35Å; I307-M315 HydrophobicContact CB-SD 4.37Å; I307-M315 HydrophobicContact CD1-CB 4.23Å; I307-M315 HydrophobicContact CD1-CG 3.83Å; I307-M315 HydrophobicContact CD1-SD 4.35Å; I307-M315 HydrophobicContact CG1-CG 3.97Å; I307-M315 HydrophobicContact CG1-SD 3.83Å; I307-M315 HydrophobicContact CG2-SD 4.08Å; I307-R316 HydrophobicContact CD1-CG 3.76Å; I307-I319 HydrophobicContact CD1-CG2 4.3Å
308	Y	86.8	Confident	89.5	Confident	16 Å²	16	58.4 Å²	58.4	6%	0.063	29%	0.286	C	S	.	.	S	Bend	trans	-76.1	-18.4	-179.2	-46.4	-55.8	0	0	0	113	Y385 H388 I579 W591	Y308-Y385 WeakPolarHBondContact OH-CA 3.25Å; Y308-H388 AromaticContact CD2-CE1 3.98Å; Y308-H388 HydrophobicContact CE2-CB 4.45Å; Y308-H388 AromaticContact CE2-CD2 3.94Å; Y308-H388 AromaticContact CE2-CG 3.9Å; Y308-I579 HydrophobicContact CD1-CB 4.07Å; Y308-I579 HydrophobicContact CD1-CD1 4.31Å; Y308-I579 HydrophobicContact CD1-CG2 3.69Å; Y308-I579 HydrophobicContact CD2-CG2 4.28Å; Y308-I579 HydrophobicContact CE1-CD1 4.39Å; Y308-I579 HydrophobicContact CE1-CG2 4.02Å; Y308-I579 HydrophobicContact CG-CB 4.35Å; Y308-I579 HydrophobicContact CG-CG2 3.84Å; Y308-W591 HydrophobicContact CE1-CH2 4.12Å
309	D	85.1	Confident	89.4	Confident	89 Å²	89	56.3 Å²	56.3	48%	0.476	27%	0.269	S	S	.	.			trans	-121.1	101.6	176.2	-178.8	5.5	0	0	0	110.3	I307 D311 D312	I307-D309 VanDerWaalsContact C-N 3.28Å; I307-D309 WeakPolarHBondContact CG2-O 3.5Å; I307-D309 PolarHBondContact O-N 3.15Å; D309-D311 PolarHBondContact O-N 3.39Å; D309-D311 WeakPolarHBondContact OD1-CB 3.49Å; D309-D311 PolarHBondContact OD1-N 2.98Å; D309-D312 WeakPolarHBondContact O-CB 3.46Å; D309-D312 PolarHBondContact O-N 3.2Å
310	F	84	Confident	89.3	Confident	70 Å²	70	59.4 Å²	59.4	31%	0.307	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.7	-178	-86.4	-92.5	0	0	0	114.1	L303 E304 I307 D312 R316	L303-F310 HydrophobicContact CB-CE1 3.88Å; L303-F310 HydrophobicContact CB-CZ 3.85Å; E304-F310 HydrophobicContact CB-CE2 4.09Å; E304-F310 HydrophobicContact CB-CZ 4.08Å; E304-F310 HydrophobicContact CG-CE2 3.36Å; E304-F310 HydrophobicContact CG-CZ 3.33Å; I307-F310 WeakPolarHBondContact O-CE2 3.35Å; F310-D312 PolarHBondContact O-N 3.18Å; F310-R316 PolarHBondContact O-NE 2.83Å; F310-R316 PolarHBondContact O-NH2 3.45Å
311	D	86.2	Confident	89.3	Confident	139 Å²	139	52 Å²	52	74%	0.743	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.4	178.7	-65	-27.9	0	0	0	111.4	D309 T313	D309-D311 PolarHBondContact O-N 3.39Å; D309-D311 WeakPolarHBondContact OD1-CB 3.49Å; D309-D311 PolarHBondContact OD1-N 2.98Å; D311-T313 PolarHBondContact O-N 2.83Å
312	D	89	Confident	89.3	Confident	23 Å²	23	49 Å²	49	12%	0.123	24%	0.238	C	C	.	.			trans	-70.5	92.4	175.8	-173.6	2.7	0	0	0	112.7	D309 F310 E314 M315 R316 R397	D309-D312 WeakPolarHBondContact O-CB 3.46Å; D309-D312 PolarHBondContact O-N 3.2Å; F310-D312 PolarHBondContact O-N 3.18Å; D312-E314 PolarHBondContact OD1-N 3.11Å; D312-M315 HydrophobicContact CB-CB 4.4Å; D312-M315 PolarHBondContact OD1-N 3.28Å; D312-M315 WeakPolarHBondContact OD2-CB 3.47Å; D312-R316 WeakPolarHBondContact O-CG 3.4Å; D312-R316 PolarHBondContact O-N 2.85Å; D312-R397 IonicContact OD1-CZ 3.78Å; D312-R397 IonicContact OD1-NH1 3.24Å; D312-R397 IonicContact OD1-NH2 3.38Å; D312-R397 PolarHBondContact OD1-NH2 3.36Å; D312-R397 IonicContact OD2-CZ 3.98Å; D312-R397 VanDerWaalsContact OD2-CZ 3.29Å; D312-R397 IonicContact OD2-NH1 2.66Å; D312-R397 PolarHBondContact OD2-NH1 2.92Å; D312-R397 IonicContact OD2-NH2 3.44Å; D312-R397 PolarHBondContact OD2-NH2 3.49Å
313	T	90.7	Very high	89.2	Confident	79 Å²	79	50.7 Å²	50.7	49%	0.485	25%	0.247	S	C	.	.	H	α-helix	trans	-63.9	-38.6	178.3	50.6	0	0	0	0	112.9	D311 M315 R316 E317	D311-T313 PolarHBondContact O-N 2.83Å; T313-M315 PolarHBondContact O-N 2.8Å; T313-R316 PolarHBondContact O-N 3.35Å; T313-E317 WeakPolarHBondContact O-CG 3.32Å; T313-E317 PolarHBondContact O-N 2.75Å
314	E	91.5	Very high	89	Confident	106 Å²	106	54.5 Å²	54.5	50%	0.495	27%	0.267	S	S	.	.	H	α-helix	trans	-64.7	-43.4	-176.4	-62.8	-175.8	156.5	0	0	111.9	D312 R316 E317 M318 L395 R397	D312-E314 PolarHBondContact OD1-N 3.11Å; E314-R316 VanDerWaalsContact C-N 3.33Å; E314-E317 PolarHBondContact O-N 3.39Å; E314-M318 PolarHBondContact O-N 3.15Å; E314-L395 HydrophobicContact CB-CD2 4.17Å; E314-R397 IonicContact OE2-CZ 2.96Å; E314-R397 IonicContact OE2-NE 3.92Å; E314-R397 IonicContact OE2-NH2 2.82Å; E314-R397 PolarHBondContact OE2-NH2 3.14Å
315	M	90.4	Very high	88.8	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-67.4	-36.7	179.1	-168.1	173.9	-63.4	0	0	111.4	I307 D312 T313 M318 I319 L391 L392 L395	I307-M315 HydrophobicContact CB-SD 4.37Å; I307-M315 HydrophobicContact CD1-CB 4.23Å; I307-M315 HydrophobicContact CD1-CG 3.83Å; I307-M315 HydrophobicContact CD1-SD 4.35Å; I307-M315 HydrophobicContact CG1-CG 3.97Å; I307-M315 HydrophobicContact CG1-SD 3.83Å; I307-M315 HydrophobicContact CG2-SD 4.08Å; D312-M315 HydrophobicContact CB-CB 4.4Å; D312-M315 PolarHBondContact OD1-N 3.28Å; D312-M315 WeakPolarHBondContact OD2-CB 3.47Å; T313-M315 PolarHBondContact O-N 2.8Å; M315-M318 PolarHBondContact O-N 2.85Å; M315-I319 PolarHBondContact O-N 3.46Å; M315-L391 HydrophobicContact CE-CB 4.3Å; M315-L391 HydrophobicContact CG-CB 4.11Å; M315-L391 HydrophobicContact CG-CD1 3.6Å; M315-L391 HydrophobicContact CG-CG 4.37Å; M315-L391 HydrophobicContact SD-CB 4.27Å; M315-L391 HydrophobicContact SD-CD1 4.02Å; M315-L392 HydrophobicContact CE-CD2 3.87Å; M315-L392 HydrophobicContact CE-CG 4.43Å; M315-L395 HydrophobicContact CB-CD1 4.13Å; M315-L395 HydrophobicContact CE-CD1 4.24Å; M315-L395 HydrophobicContact CG-CD1 4.47Å
316	R	87.9	Confident	88.8	Confident	101 Å²	101	54.5 Å²	54.5	38%	0.381	27%	0.269	S	S	.	.	H	α-helix	trans	-65.5	-41.9	173.7	-72.1	-170.9	-66.7	158.3	-9.1	112.6	I307 F310 D312 T313 E314 M318 I319 K320	I307-R316 HydrophobicContact CD1-CG 3.76Å; F310-R316 PolarHBondContact O-NE 2.83Å; F310-R316 PolarHBondContact O-NH2 3.45Å; D312-R316 WeakPolarHBondContact O-CG 3.4Å; D312-R316 PolarHBondContact O-N 2.85Å; T313-R316 PolarHBondContact O-N 3.35Å; E314-R316 VanDerWaalsContact C-N 3.33Å; R316-M318 VanDerWaalsContact C-N 3.29Å; R316-M318 PolarHBondContact O-N 3.28Å; R316-I319 WeakPolarHBondContact O-CG2 3.43Å; R316-I319 PolarHBondContact O-N 3.31Å; R316-K320 PolarHBondContact O-N 3.01Å; R316-K320 VanDerWaalsContact O-N 3.15Å
317	E	88.8	Confident	88.7	Confident	147 Å²	147	60.8 Å²	60.8	69%	0.687	30%	0.296	S	S	*	.	H	α-helix	trans	-64.1	-36.5	176.1	-75.1	-170.7	171.6	0	0	112.1	T313 E314 P321	T313-E317 WeakPolarHBondContact O-CG 3.32Å; T313-E317 PolarHBondContact O-N 2.75Å; E314-E317 PolarHBondContact O-N 3.39Å; E317-P321 WeakPolarHBondContact O-CD 3.03Å
318	M	88.4	Confident	88.7	Confident	32 Å²	32	66.3 Å²	66.3	16%	0.158	33%	0.33	C	S	.	.	H	α-helix	trans	-68.8	-33.3	179.2	-168.8	172.9	-73.3	0	0	113	M256 E314 M315 R316 P321 L391 A394 L395	M256-M318 HydrophobicContact CE-CG 4.28Å; M256-M318 HydrophobicContact CE-SD 3.73Å; E314-M318 PolarHBondContact O-N 3.15Å; M315-M318 PolarHBondContact O-N 2.85Å; R316-M318 VanDerWaalsContact C-N 3.29Å; R316-M318 PolarHBondContact O-N 3.28Å; M318-P321 WeakPolarHBondContact O-CD 3.2Å; M318-L391 HydrophobicContact CB-CD2 4.11Å; M318-L391 HydrophobicContact CG-CD2 3.71Å; M318-L391 HydrophobicContact SD-CD2 3.53Å; M318-L391 VanDerWaalsContact SD-CD2 3.53Å; M318-A394 HydrophobicContact CE-CB 4.18Å; M318-A394 HydrophobicContact SD-CB 3.68Å; M318-L395 HydrophobicContact CE-CD2 3.31Å; M318-L395 HydrophobicContact CE-CG 3.62Å; M318-L395 HydrophobicContact SD-CD2 4.39Å; M318-L395 HydrophobicContact SD-CG 4.15Å
319	I	90.3	Very high	88.9	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-84.5	-23.4	-180	-157	163.3	0	0	0	113.5	L303 I306 I307 M315 R316 P321 S322 L323 V387 L391	L303-I319 HydrophobicContact CD2-CD1 4.24Å; L303-I319 HydrophobicContact CD2-CG2 3.64Å; I306-I319 HydrophobicContact CB-CD1 4.42Å; I306-I319 HydrophobicContact CD1-CD1 3.52Å; I306-I319 HydrophobicContact CG2-CD1 3.88Å; I307-I319 HydrophobicContact CD1-CG2 4.3Å; M315-I319 PolarHBondContact O-N 3.46Å; R316-I319 WeakPolarHBondContact O-CG2 3.43Å; R316-I319 PolarHBondContact O-N 3.31Å; I319-P321 VanDerWaalsContact C-CD 3.48Å; I319-S322 WeakPolarHBondContact O-CA 3.47Å; I319-S322 WeakPolarHBondContact O-CB 3.3Å; I319-S322 PolarHBondContact O-N 2.94Å; I319-L323 HydrophobicContact CG2-CD1 4.32Å; I319-L323 PolarHBondContact O-N 3.19Å; I319-V387 HydrophobicContact CD1-CG1 4.4Å; I319-L391 HydrophobicContact CD1-CD1 4.47Å
320	K	89.9	Confident	89.1	Confident	124 Å²	124	66.6 Å²	66.6	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-48.1	-45.3	-178.9	-176.9	179.3	178.7	-179.8	0	114.8	R316 S322 L323 D324	R316-K320 PolarHBondContact O-N 3.01Å; R316-K320 VanDerWaalsContact O-N 3.15Å; K320-S322 PolarHBondContact O-N 2.88Å; K320-S322 VanDerWaalsContact O-N 3.1Å; K320-L323 WeakPolarHBondContact O-CB 3.46Å; K320-L323 PolarHBondContact O-N 3.17Å; K320-D324 PolarHBondContact O-N 2.97Å
321	P	89.2	Confident	89.5	Confident	20 Å²	20	69.2 Å²	69.2	13%	0.13	34%	0.343	C	S	.	.	H	α-helix	trans	-60.2	-24.5	176.7	-24	34.6	0	0	0	114.4	E317 M318 I319 D325	E317-P321 WeakPolarHBondContact O-CD 3.03Å; M318-P321 WeakPolarHBondContact O-CD 3.2Å; I319-P321 VanDerWaalsContact C-CD 3.48Å; P321-D325 PolarHBondContact O-N 3.44Å
322	S	90.5	Very high	89.9	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.014	32%	0.322	C	S	.	.	H	α-helix	trans	-83.8	-29.6	176.9	-53.4	0	0	0	0	112.2	I274 I319 K320 A326	I274-S322 PolarHBondContact N-OG 3.01Å; I319-S322 WeakPolarHBondContact O-CA 3.47Å; I319-S322 WeakPolarHBondContact O-CB 3.3Å; I319-S322 PolarHBondContact O-N 2.94Å; K320-S322 PolarHBondContact O-N 2.88Å; K320-S322 VanDerWaalsContact O-N 3.1Å; S322-A326 PolarHBondContact O-N 3.46Å
323	L	89.1	Confident	90.1	Very high	35 Å²	35	71.6 Å²	71.6	18%	0.183	35%	0.346	C	S	.	.	H	α-helix	trans	-62.4	-49.8	168.7	-78.2	160.7	0	0	0	110.6	L288 D299 L303 I319 K320 D325 A326 F327	L288-L323 VanDerWaalsContact CD2-CA 3.45Å; L288-L323 HydrophobicContact CD2-CB 4.06Å; L288-L323 HydrophobicContact CD2-CD2 3.28Å; L288-L323 HydrophobicContact CD2-CG 3.53Å; D299-L323 HydrophobicContact CB-CD2 3.97Å; L303-L323 HydrophobicContact CD1-CD1 4.26Å; L303-L323 HydrophobicContact CD2-CD1 4.19Å; I319-L323 HydrophobicContact CG2-CD1 4.32Å; I319-L323 PolarHBondContact O-N 3.19Å; K320-L323 WeakPolarHBondContact O-CB 3.46Å; K320-L323 PolarHBondContact O-N 3.17Å; L323-D325 VanDerWaalsContact C-N 3.25Å; L323-D325 PolarHBondContact O-N 3.08Å; L323-A326 PolarHBondContact O-N 3.13Å; L323-A326 VanDerWaalsContact O-N 3.09Å; L323-F327 PolarHBondContact O-N 3.39Å; L323-F327 VanDerWaalsContact O-N 3.12Å
324	D	88.6	Confident	90.3	Very high	107 Å²	107	70.4 Å²	70.4	57%	0.572	34%	0.339	S	S	*	.	H	α-helix	trans	-59.8	-36.6	180	-63.5	-23.8	0	0	0	111.9	K320	K320-D324 PolarHBondContact O-N 2.97Å
325	D	85.5	Confident	90.4	Very high	49 Å²	49	65.3 Å²	65.3	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-71.7	-29.5	178.7	-157.4	34.1	0	0	0	113	R273 P321 L323	R273-D325 WeakPolarHBondContact CD-OD2 3.19Å; R273-D325 IonicContact CZ-OD1 2.77Å; R273-D325 IonicContact CZ-OD2 3.52Å; R273-D325 IonicContact NE-OD2 3.77Å; R273-D325 IonicContact NH1-OD1 2.96Å; R273-D325 PolarHBondContact NH1-OD1 2.96Å; R273-D325 IonicContact NH1-OD2 2.7Å; R273-D325 PolarHBondContact NH1-OD2 3.43Å; P321-D325 PolarHBondContact O-N 3.44Å; L323-D325 VanDerWaalsContact C-N 3.25Å; L323-D325 PolarHBondContact O-N 3.08Å
326	A	89.6	Confident	90.6	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-88.8	-12.1	-179.3	0	0	0	0	0	113.6	L288 I289 S322 L323 V328 I329	L288-A326 HydrophobicContact CB-CB 3.55Å; L288-A326 HydrophobicContact CD2-CB 4.28Å; I289-A326 HydrophobicContact CG1-CB 4.09Å; S322-A326 PolarHBondContact O-N 3.46Å; L323-A326 PolarHBondContact O-N 3.13Å; L323-A326 VanDerWaalsContact O-N 3.09Å; A326-V328 PolarHBondContact O-N 3.02Å; A326-I329 PolarHBondContact O-N 3.36Å
327	F	90.4	Very high	90.8	Very high	132 Å²	132	62.6 Å²	62.6	58%	0.579	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-28.4	-175.3	-173.2	-98.7	0	0	0	114.2	L323 I329	L323-F327 PolarHBondContact O-N 3.39Å; L323-F327 VanDerWaalsContact O-N 3.12Å; F327-I329 PolarHBondContact O-N 3.19Å
328	V	90.8	Very high	91	Very high	119 Å²	119	58 Å²	58	72%	0.721	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-19	179.1	-66.6	0	0	0	0	114.5	A326	A326-V328 PolarHBondContact O-N 3.02Å
329	I	90.7	Very high	91.2	Very high	10 Å²	10	56.4 Å²	56.4	5%	0.051	28%	0.278	C	S	.	.			trans	-124.9	110.2	-178.3	-68.2	159.4	0	0	0	108.1	I289 R292 A326 F327 V334 A335 F338	I289-I329 HydrophobicContact CD1-CD1 3.75Å; I289-I329 HydrophobicContact CG1-CD1 4.27Å; I289-I329 HydrophobicContact CG2-CD1 4.38Å; R292-I329 WeakPolarHBondContact CD-O 3.48Å; R292-I329 PolarHBondContact NE-O 2.85Å; R292-I329 VanDerWaalsContact NE-O 3.15Å; A326-I329 PolarHBondContact O-N 3.36Å; F327-I329 PolarHBondContact O-N 3.19Å; I329-V334 HydrophobicContact CG1-CG1 4.13Å; I329-V334 HydrophobicContact CG2-CB 4.18Å; I329-V334 HydrophobicContact CG2-CG1 4.04Å; I329-A335 HydrophobicContact CG2-CB 3.8Å; I329-F338 HydrophobicContact CD1-CB 3.97Å; I329-F338 HydrophobicContact CD1-CD1 4.07Å; I329-F338 HydrophobicContact CD1-CD2 3.46Å; I329-F338 VanDerWaalsContact CD1-CD2 3.46Å; I329-F338 HydrophobicContact CD1-CE1 4.3Å; I329-F338 HydrophobicContact CD1-CE2 3.71Å; I329-F338 HydrophobicContact CD1-CG 3.6Å; I329-F338 HydrophobicContact CD1-CZ 4.09Å
330	Q	90.1	Very high	91.3	Very high	100 Å²	100	56.4 Å²	56.4	47%	0.467	28%	0.278	S	S	.	.			trans	-107	-19.5	-179.1	-63.7	-175.9	-9.2	0	0	113.3	R292 V297	R292-Q330 PolarHBondContact NH1-O 2.93Å; V297-Q330 WeakPolarHBondContact CG1-O 2.93Å
331	E	92.8	Very high	91.3	Very high	126 Å²	126	53.1 Å²	53.1	59%	0.589	27%	0.27	S	S	*	.	S	Bend	trans	-103.1	142.9	-178.3	-63.8	-179.2	-179.8	0	0	113.6	K333 V334 A335	E331-K333 PolarHBondContact O-N 2.99Å; E331-V334 HydrophobicContact CB-CB 4.27Å; E331-V334 HydrophobicContact CB-CG2 3.95Å; E331-V334 PolarHBondContact O-N 3.05Å; E331-A335 PolarHBondContact O-N 2.94Å
332	Q	93.4	Very high	91.4	Very high	67 Å²	67	55 Å²	55	31%	0.313	28%	0.275	S	S	.	.	H	α-helix	trans	-57	-45.8	176.2	-175.6	-174	26	0	0	112.7	R292 A293 V334 A335 L336	R292-Q332 WeakPolarHBondContact O-CA 3.27Å; R292-Q332 WeakPolarHBondContact O-CB 3.43Å; R292-Q332 WeakPolarHBondContact O-CG 3.47Å; A293-Q332 WeakPolarHBondContact O-CG 3.41Å; A293-Q332 PolarHBondContact O-NE2 3.47Å; Q332-V334 VanDerWaalsContact C-N 3.26Å; Q332-V334 PolarHBondContact O-N 3.39Å; Q332-A335 WeakPolarHBondContact O-CB 3.48Å; Q332-A335 PolarHBondContact O-N 3.1Å; Q332-L336 HydrophobicContact CG-CD1 4.06Å; Q332-L336 HydrophobicContact CG-CG 4.42Å; Q332-L336 WeakPolarHBondContact O-CG 3.46Å; Q332-L336 PolarHBondContact O-N 2.72Å
333	K	93.3	Very high	91.1	Very high	145 Å²	145	56.1 Å²	56.1	63%	0.63	29%	0.287	S	S	*	.	H	α-helix	trans	-62.1	-35.2	-179.7	-70.8	-177.3	-178.1	174.6	0	112	E331 N337	E331-K333 PolarHBondContact O-N 2.99Å; K333-N337 WeakPolarHBondContact O-CB 3.49Å; K333-N337 PolarHBondContact O-N 3.4Å; K333-N337 VanDerWaalsContact O-N 3.09Å
334	V	94.5	Very high	90.7	Very high	53 Å²	53	55.4 Å²	55.4	32%	0.321	29%	0.286	S	S	.	.	H	α-helix	trans	-71.9	-42.1	176.9	-178.7	0	0	0	0	110	I329 E331 Q332 N337 F338	I329-V334 HydrophobicContact CG1-CG1 4.13Å; I329-V334 HydrophobicContact CG2-CB 4.18Å; I329-V334 HydrophobicContact CG2-CG1 4.04Å; E331-V334 HydrophobicContact CB-CB 4.27Å; E331-V334 HydrophobicContact CB-CG2 3.95Å; E331-V334 PolarHBondContact O-N 3.05Å; Q332-V334 VanDerWaalsContact C-N 3.26Å; Q332-V334 PolarHBondContact O-N 3.39Å; V334-N337 PolarHBondContact O-N 3.21Å; V334-F338 WeakPolarHBondContact O-CB 3.46Å; V334-F338 PolarHBondContact O-N 3.23Å
335	A	94	Very high	90.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.1	-46.6	173.9	0	0	0	0	0	112.3	I289 R292 A293 I329 E331 Q332 N337 F338 I339	I289-A335 HydrophobicContact CG2-CB 3.95Å; R292-A335 HydrophobicContact CB-CB 4.15Å; A293-A335 HydrophobicContact CB-CB 3.97Å; I329-A335 HydrophobicContact CG2-CB 3.8Å; E331-A335 PolarHBondContact O-N 2.94Å; Q332-A335 WeakPolarHBondContact O-CB 3.48Å; Q332-A335 PolarHBondContact O-N 3.1Å; A335-N337 VanDerWaalsContact C-N 3.35Å; A335-N337 PolarHBondContact O-N 3.4Å; A335-F338 WeakPolarHBondContact O-CB 3.28Å; A335-F338 PolarHBondContact O-N 3.24Å; A335-F338 VanDerWaalsContact O-N 3.1Å; A335-I339 WeakPolarHBondContact O-CG1 3.36Å; A335-I339 PolarHBondContact O-N 3.48Å
336	L	94.1	Very high	90.2	Very high	10 Å²	10	64.3 Å²	64.3	5%	0.052	33%	0.325	C	S	.	.	H	α-helix	trans	-61.1	-41.6	175.9	-72.9	170.4	0	0	0	112.1	A293 Q332 F338 I339 G340 I354 A357 L361	A293-L336 HydrophobicContact CB-CD2 4.03Å; A293-L336 HydrophobicContact CB-CG 4.31Å; Q332-L336 HydrophobicContact CG-CD1 4.06Å; Q332-L336 HydrophobicContact CG-CG 4.42Å; Q332-L336 WeakPolarHBondContact O-CG 3.46Å; Q332-L336 PolarHBondContact O-N 2.72Å; L336-F338 VanDerWaalsContact C-N 3.32Å; L336-F338 PolarHBondContact O-N 2.86Å; L336-I339 PolarHBondContact O-N 3.33Å; L336-G340 PolarHBondContact O-N 3.13Å; L336-I354 HydrophobicContact CB-CB 4.41Å; L336-I354 HydrophobicContact CB-CG1 4.19Å; L336-I354 HydrophobicContact CB-CG2 4.04Å; L336-I354 HydrophobicContact CD1-CG2 3.92Å; L336-A357 HydrophobicContact CB-CB 4.36Å; L336-A357 HydrophobicContact CD2-CB 4.02Å; L336-A357 VanDerWaalsContact O-CB 3.22Å; L336-A357 WeakPolarHBondContact O-CB 3.36Å; L336-L361 HydrophobicContact CD2-CD1 3.64Å
337	N	93	Very high	89.7	Confident	37 Å²	37	67.9 Å²	67.9	20%	0.198	36%	0.361	C	S	.	.	H	α-helix	trans	-66.1	-35.4	174.4	-179.1	52.8	0	0	0	112.2	K333 V334 A335 G340 S341 K350 I354	K333-N337 WeakPolarHBondContact O-CB 3.49Å; K333-N337 PolarHBondContact O-N 3.4Å; K333-N337 VanDerWaalsContact O-N 3.09Å; V334-N337 PolarHBondContact O-N 3.21Å; A335-N337 VanDerWaalsContact C-N 3.35Å; A335-N337 PolarHBondContact O-N 3.4Å; N337-G340 PolarHBondContact O-N 3.07Å; N337-S341 VanDerWaalsContact O-CB 3.32Å; N337-S341 WeakPolarHBondContact O-CB 3.22Å; N337-S341 PolarHBondContact O-N 3.39Å; N337-S341 PolarHBondContact O-OG 3.22Å; N337-S341 VanDerWaalsContact O-OG 3.1Å; N337-K350 HydrophobicContact CB-CG 4.37Å; N337-I354 HydrophobicContact CB-CD1 4.4Å; N337-I354 HydrophobicContact CB-CG1 4.03Å
338	F	93	Very high	89.5	Confident	49 Å²	49	63.9 Å²	63.9	22%	0.215	35%	0.348	C	S	.	.	H	α-helix	trans	-65.6	-38.7	176.2	-176.9	-94.6	0	0	0	112.3	I285 I289 I329 V334 A335 L336 S341 R342	I285-F338 HydrophobicContact CG2-CE1 4.44Å; I289-F338 HydrophobicContact CD1-CD1 4.06Å; I289-F338 HydrophobicContact CD1-CE1 3.45Å; I289-F338 VanDerWaalsContact CD1-CE1 3.45Å; I289-F338 HydrophobicContact CD1-CZ 3.76Å; I289-F338 HydrophobicContact CG2-CD1 3.79Å; I289-F338 HydrophobicContact CG2-CE1 4.2Å; I329-F338 HydrophobicContact CD1-CB 3.97Å; I329-F338 HydrophobicContact CD1-CD1 4.07Å; I329-F338 HydrophobicContact CD1-CD2 3.46Å; I329-F338 VanDerWaalsContact CD1-CD2 3.46Å; I329-F338 HydrophobicContact CD1-CE1 4.3Å; I329-F338 HydrophobicContact CD1-CE2 3.71Å; I329-F338 HydrophobicContact CD1-CG 3.6Å; I329-F338 HydrophobicContact CD1-CZ 4.09Å; V334-F338 WeakPolarHBondContact O-CB 3.46Å; V334-F338 PolarHBondContact O-N 3.23Å; A335-F338 WeakPolarHBondContact O-CB 3.28Å; A335-F338 PolarHBondContact O-N 3.24Å; A335-F338 VanDerWaalsContact O-N 3.1Å; L336-F338 VanDerWaalsContact C-N 3.32Å; L336-F338 PolarHBondContact O-N 2.86Å; F338-S341 PolarHBondContact O-OG 3.36Å; F338-R342 VanDerWaalsContact CE2-NH2 3.3Å; F338-R342 PolarHBondContact O-NH1 3.45Å; F338-R342 VanDerWaalsContact O-NH1 3.15Å
339	I	93.1	Very high	89.5	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-69	-49.8	171.9	-62.8	176.4	0	0	0	110	L278 I281 I285 A293 A335 L336 S341 R342 G343 A357 L361	L278-I339 HydrophobicContact CD1-CD1 4.4Å; L278-I339 HydrophobicContact CD1-CG2 4.23Å; I281-I339 HydrophobicContact CD1-CG2 4.21Å; I281-I339 HydrophobicContact CG1-CG2 4.42Å; I285-I339 HydrophobicContact CD1-CB 4.32Å; I285-I339 HydrophobicContact CD1-CG1 3.92Å; I285-I339 HydrophobicContact CD1-CG2 3.99Å; I285-I339 HydrophobicContact CG2-CG1 4.39Å; A293-I339 HydrophobicContact CB-CD1 3.6Å; A335-I339 WeakPolarHBondContact O-CG1 3.36Å; A335-I339 PolarHBondContact O-N 3.48Å; L336-I339 PolarHBondContact O-N 3.33Å; I339-S341 VanDerWaalsContact C-N 3.29Å; I339-S341 PolarHBondContact O-N 2.9Å; I339-R342 WeakPolarHBondContact O-CB 2.88Å; I339-R342 PolarHBondContact O-N 2.98Å; I339-G343 PolarHBondContact O-N 3.14Å; I339-A357 HydrophobicContact CB-CB 4.14Å; I339-A357 HydrophobicContact CG2-CB 4.06Å; I339-L361 HydrophobicContact CD1-CD1 4.26Å
340	G	91.6	Very high	89.4	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-34.7	-177.5	0	0	0	0	0	113.3	L336 N337 R342 G343 A344	L336-G340 PolarHBondContact O-N 3.13Å; N337-G340 PolarHBondContact O-N 3.07Å; G340-R342 VanDerWaalsContact C-N 3.28Å; G340-R342 PolarHBondContact O-N 3.36Å; G340-G343 PolarHBondContact O-N 3.25Å; G340-A344 WeakPolarHBondContact O-CB 2.92Å; G340-A344 PolarHBondContact O-N 3.21Å
341	S	90.6	Very high	89.4	Confident	54 Å²	54	69.4 Å²	69.4	38%	0.378	37%	0.369	S	S	.	.	H	α-helix	trans	-68.4	-22.3	174.6	63.2	0	0	0	0	114.3	N337 F338 I339	N337-S341 VanDerWaalsContact O-CB 3.32Å; N337-S341 WeakPolarHBondContact O-CB 3.22Å; N337-S341 PolarHBondContact O-N 3.39Å; N337-S341 PolarHBondContact O-OG 3.22Å; N337-S341 VanDerWaalsContact O-OG 3.1Å; F338-S341 PolarHBondContact O-OG 3.36Å; I339-S341 VanDerWaalsContact C-N 3.29Å; I339-S341 PolarHBondContact O-N 2.9Å
342	R	90.1	Very high	89.3	Confident	60 Å²	60	70 Å²	70	23%	0.226	37%	0.37	C	S	.	.	H	α-helix	trans	-89.7	-22.3	176.2	-72.8	-177.8	167.1	77.8	-5.9	113.9	I281 Q283 F338 I339 G340	I281-R342 HydrophobicContact CG2-CB 3.95Å; Q283-R342 HydrophobicContact CB-CB 4.21Å; Q283-R342 HydrophobicContact CB-CG 4.11Å; Q283-R342 HydrophobicContact CG-CG 4.48Å; Q283-R342 VanDerWaalsContact OE1-NE 3.07Å; F338-R342 VanDerWaalsContact CE2-NH2 3.3Å; F338-R342 PolarHBondContact O-NH1 3.45Å; F338-R342 VanDerWaalsContact O-NH1 3.15Å; I339-R342 WeakPolarHBondContact O-CB 2.88Å; I339-R342 PolarHBondContact O-N 2.98Å; G340-R342 VanDerWaalsContact C-N 3.28Å; G340-R342 PolarHBondContact O-N 3.36Å
343	G	84.7	Confident	89.2	Confident	25 Å²	25	69.7 Å²	69.7	26%	0.258	37%	0.366	S	S	.	.	H	α-helix	trans	-94.8	-49	177.2	0	0	0	0	0	113.5	I281 I339 G340	I281-G343 VanDerWaalsContact CD1-CA 3.46Å; I339-G343 PolarHBondContact O-N 3.14Å; G340-G343 PolarHBondContact O-N 3.25Å
344	A	81.6	Confident	89.1	Confident	21 Å²	21	64.4 Å²	64.4	17%	0.174	34%	0.344	C	S	.	.	S	Bend	trans	-75.3	155.3	-174.9	0	0	0	0	0	112.2	G340 V348 R353 Y356	G340-A344 WeakPolarHBondContact O-CB 2.92Å; G340-A344 PolarHBondContact O-N 3.21Å; A344-V348 HydrophobicContact CB-CG2 4.45Å; A344-R353 HydrophobicContact CB-CG 4.29Å; A344-Y356 HydrophobicContact CB-CD1 4.24Å; A344-Y356 HydrophobicContact CB-CE1 4.38Å
345	R	82.8	Confident	89	Confident	212 Å²	212	69.2 Å²	69.2	80%	0.8	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-63	143.3	172	-64.2	-177.7	-175.9	-175.8	1.1	110	G347	R345-G347 PolarHBondContact O-N 3.22Å
346	P	80.4	Confident	88.9	Confident	131 Å²	131	73.1 Å²	73.1	85%	0.851	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	138.6	170.3	-23.8	32.9	0	0	0	110.9
347	G	78.6	Confident	88.8	Confident	74 Å²	74	72.7 Å²	72.7	76%	0.763	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.1	-14.7	178.7	0	0	0	0	0	116.1	R345	R345-G347 PolarHBondContact O-N 3.22Å
348	V	85.6	Confident	88.8	Confident	49 Å²	49	75.1 Å²	75.1	30%	0.297	38%	0.383	S	S	.	.			trans	-71.1	141.4	174	-179.2	0	0	0	0	110.4	A344 K352 R353	A344-V348 HydrophobicContact CB-CG2 4.45Å; V348-K352 HydrophobicContact CG1-CB 3.37Å; V348-K352 HydrophobicContact CG1-CD 4.26Å; V348-K352 HydrophobicContact CG1-CG 4.44Å; V348-R353 HydrophobicContact CB-CG 4.22Å; V348-R353 HydrophobicContact CG1-CG 4.11Å; V348-R353 PolarHBondContact O-NE 2.94Å; V348-R353 PolarHBondContact O-NH2 3.23Å
349	T	90.6	Very high	88.6	Confident	80 Å²	80	77.2 Å²	77.2	49%	0.491	39%	0.393	S	S	.	.			trans	-63.2	155.6	178.9	62.4	0	0	0	0	112.4	E351 K352 R353	T349-E351 VanDerWaalsContact C-N 3.3Å; T349-E351 PolarHBondContact O-N 3.25Å; T349-K352 PolarHBondContact O-N 2.86Å; T349-K352 WeakPolarHBondContact OG1-CG 3.4Å; T349-R353 WeakPolarHBondContact O-CG 3.43Å; T349-R353 PolarHBondContact O-N 3.4Å
350	K	88.9	Confident	88.6	Confident	117 Å²	117	77.5 Å²	77.5	51%	0.509	40%	0.395	S	S	.	.	H	α-helix	trans	-53.1	-46.1	178.8	-177.7	179	178.2	-176.1	0	112	N337 R353 I354	N337-K350 HydrophobicContact CB-CG 4.37Å; K350-R353 WeakPolarHBondContact O-CB 3.11Å; K350-R353 PolarHBondContact O-N 3.28Å; K350-I354 HydrophobicContact CG-CD1 3.98Å; K350-I354 WeakPolarHBondContact O-CG1 3.49Å; K350-I354 PolarHBondContact O-N 3.01Å
351	E	90.6	Very high	88.6	Confident	147 Å²	147	77.9 Å²	77.9	69%	0.687	40%	0.396	S	S	*	.	H	α-helix	trans	-64	-43.2	-179.4	-64.8	-174.9	165.7	0	0	113.1	T349 R353 I354 K355	T349-E351 VanDerWaalsContact C-N 3.3Å; T349-E351 PolarHBondContact O-N 3.25Å; E351-R353 VanDerWaalsContact C-N 3.3Å; E351-R353 PolarHBondContact O-N 3.33Å; E351-I354 PolarHBondContact O-N 2.73Å; E351-K355 WeakPolarHBondContact O-CG 3.14Å; E351-K355 PolarHBondContact O-N 2.93Å
352	K	90.7	Very high	88.5	Confident	139 Å²	139	76.9 Å²	76.9	60%	0.604	39%	0.386	S	S	*	.	H	α-helix	trans	-64.5	-36.4	176.3	-75.9	-177.7	179.4	-178.7	0	111.4	V348 T349 Y356	V348-K352 HydrophobicContact CG1-CB 3.37Å; V348-K352 HydrophobicContact CG1-CD 4.26Å; V348-K352 HydrophobicContact CG1-CG 4.44Å; T349-K352 PolarHBondContact O-N 2.86Å; T349-K352 WeakPolarHBondContact OG1-CG 3.4Å; K352-Y356 VanDerWaalsContact O-CB 3.24Å; K352-Y356 WeakPolarHBondContact O-CB 3.11Å; K352-Y356 PolarHBondContact O-N 3.48Å
353	R	90.6	Very high	88.4	Confident	60 Å²	60	77.3 Å²	77.3	23%	0.226	39%	0.389	C	S	.	.	H	α-helix	trans	-64.5	-41.9	173.1	-69.3	-179.9	-156.1	165.4	5.1	112.2	A344 V348 T349 K350 E351 Y356 A357	A344-R353 HydrophobicContact CB-CG 4.29Å; V348-R353 HydrophobicContact CB-CG 4.22Å; V348-R353 HydrophobicContact CG1-CG 4.11Å; V348-R353 PolarHBondContact O-NE 2.94Å; V348-R353 PolarHBondContact O-NH2 3.23Å; T349-R353 WeakPolarHBondContact O-CG 3.43Å; T349-R353 PolarHBondContact O-N 3.4Å; K350-R353 WeakPolarHBondContact O-CB 3.11Å; K350-R353 PolarHBondContact O-N 3.28Å; E351-R353 VanDerWaalsContact C-N 3.3Å; E351-R353 PolarHBondContact O-N 3.33Å; R353-Y356 PolarHBondContact O-N 2.84Å; R353-A357 WeakPolarHBondContact O-CB 3.2Å; R353-A357 PolarHBondContact O-N 3.29Å
354	I	92.8	Very high	88.6	Confident	34 Å²	34	77.9 Å²	77.9	17%	0.174	39%	0.385	C	S	.	.	H	α-helix	trans	-63.7	-48.5	176.9	-70	169.4	0	0	0	110.2	L336 N337 K350 E351 Y356 A357 K358	L336-I354 HydrophobicContact CB-CB 4.41Å; L336-I354 HydrophobicContact CB-CG1 4.19Å; L336-I354 HydrophobicContact CB-CG2 4.04Å; L336-I354 HydrophobicContact CD1-CG2 3.92Å; N337-I354 HydrophobicContact CB-CD1 4.4Å; N337-I354 HydrophobicContact CB-CG1 4.03Å; K350-I354 HydrophobicContact CG-CD1 3.98Å; K350-I354 WeakPolarHBondContact O-CG1 3.49Å; K350-I354 PolarHBondContact O-N 3.01Å; E351-I354 PolarHBondContact O-N 2.73Å; I354-Y356 VanDerWaalsContact C-N 3.32Å; I354-Y356 PolarHBondContact O-N 2.8Å; I354-A357 PolarHBondContact O-N 3.39Å; I354-K358 WeakPolarHBondContact O-CB 3.46Å; I354-K358 PolarHBondContact O-N 3.29Å
355	K	91.9	Very high	89.1	Confident	155 Å²	155	77.2 Å²	77.2	67%	0.674	38%	0.379	S	S	*	.	H	α-helix	trans	-58.3	-44.4	176.3	-73	-173.4	178.8	-173.8	0	111.8	E351 K358 E359	E351-K355 WeakPolarHBondContact O-CG 3.14Å; E351-K355 PolarHBondContact O-N 2.93Å; K355-K358 PolarHBondContact O-N 3.29Å; K355-E359 PolarHBondContact O-N 3.04Å
356	Y	91.4	Very high	89.5	Confident	82 Å²	82	67.4 Å²	67.4	32%	0.322	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-45.2	176.6	175.9	-112.7	0	0	0	112.8	A344 K352 R353 I354 E359 I360	A344-Y356 HydrophobicContact CB-CD1 4.24Å; A344-Y356 HydrophobicContact CB-CE1 4.38Å; K352-Y356 VanDerWaalsContact O-CB 3.24Å; K352-Y356 WeakPolarHBondContact O-CB 3.11Å; K352-Y356 PolarHBondContact O-N 3.48Å; R353-Y356 PolarHBondContact O-N 2.84Å; I354-Y356 VanDerWaalsContact C-N 3.32Å; I354-Y356 PolarHBondContact O-N 2.8Å; Y356-E359 PolarHBondContact O-N 3.3Å; Y356-I360 HydrophobicContact CD1-CD1 4.11Å; Y356-I360 HydrophobicContact CD2-CD1 4.49Å; Y356-I360 HydrophobicContact CE1-CD1 3.52Å; Y356-I360 HydrophobicContact CE2-CD1 3.94Å; Y356-I360 HydrophobicContact CE2-CG1 4.32Å; Y356-I360 VanDerWaalsContact CZ-CD1 3.43Å; Y356-I360 WeakPolarHBondContact O-CG1 3.08Å; Y356-I360 PolarHBondContact O-N 3.03Å
357	A	92.1	Very high	90	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.1	-41.2	176.8	0	0	0	0	0	111.8	L336 I339 R353 I354 E359 I360 L361	L336-A357 HydrophobicContact CB-CB 4.36Å; L336-A357 HydrophobicContact CD2-CB 4.02Å; L336-A357 VanDerWaalsContact O-CB 3.22Å; L336-A357 WeakPolarHBondContact O-CB 3.36Å; I339-A357 HydrophobicContact CB-CB 4.14Å; I339-A357 HydrophobicContact CG2-CB 4.06Å; R353-A357 WeakPolarHBondContact O-CB 3.2Å; R353-A357 PolarHBondContact O-N 3.29Å; I354-A357 PolarHBondContact O-N 3.39Å; A357-E359 VanDerWaalsContact C-N 3.35Å; A357-I360 PolarHBondContact O-N 2.88Å; A357-L361 WeakPolarHBondContact O-CG 3.44Å; A357-L361 PolarHBondContact O-N 2.65Å
358	K	92.2	Very high	90.6	Very high	89 Å²	89	58.7 Å²	58.7	39%	0.387	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-45	174.8	-170	177.5	-177.9	-176.9	0	111	I354 K355 I360 L361 Q362	I354-K358 WeakPolarHBondContact O-CB 3.46Å; I354-K358 PolarHBondContact O-N 3.29Å; K355-K358 PolarHBondContact O-N 3.29Å; K358-I360 PolarHBondContact O-N 2.74Å; K358-L361 PolarHBondContact O-N 2.83Å; K358-Q362 VanDerWaalsContact O-CB 3.3Å; K358-Q362 WeakPolarHBondContact O-CB 3.47Å; K358-Q362 PolarHBondContact O-N 3.37Å
359	E	90.7	Very high	90.9	Very high	92 Å²	92	57 Å²	57	43%	0.43	26%	0.26	S	S	.	.	H	α-helix	trans	-61.8	-41.1	177.5	-174.2	170.3	-157	0	0	112.3	K355 Y356 A357 Q362 K363	K355-E359 PolarHBondContact O-N 3.04Å; Y356-E359 PolarHBondContact O-N 3.3Å; A357-E359 VanDerWaalsContact C-N 3.35Å; E359-Q362 PolarHBondContact O-N 2.75Å; E359-K363 HydrophobicContact CG-CD 3.86Å; E359-K363 HydrophobicContact CG-CG 4.48Å; E359-K363 VanDerWaalsContact O-CB 3.32Å; E359-K363 WeakPolarHBondContact O-CB 3.18Å; E359-K363 PolarHBondContact O-N 3.29Å; E359-K363 IonicContact OE1-NZ 3.85Å; E359-K363 PolarHBondContact OE1-NZ 2.65Å
360	I	91.2	Very high	90.8	Very high	7 Å²	7	53.9 Å²	53.9	4%	0.036	24%	0.244	C	C	.	.	I	π-helix	trans	-60.8	-47.1	174.6	-72.4	175	0	0	0	111.1	I281 Y356 A357 K358 Q362 E364 T365	I281-I360 HydrophobicContact CD1-CD1 3.77Å; Y356-I360 HydrophobicContact CD1-CD1 4.11Å; Y356-I360 HydrophobicContact CD2-CD1 4.49Å; Y356-I360 HydrophobicContact CE1-CD1 3.52Å; Y356-I360 HydrophobicContact CE2-CD1 3.94Å; Y356-I360 HydrophobicContact CE2-CG1 4.32Å; Y356-I360 VanDerWaalsContact CZ-CD1 3.43Å; Y356-I360 WeakPolarHBondContact O-CG1 3.08Å; Y356-I360 PolarHBondContact O-N 3.03Å; A357-I360 PolarHBondContact O-N 2.88Å; K358-I360 PolarHBondContact O-N 2.74Å; I360-Q362 VanDerWaalsContact C-N 3.28Å; I360-Q362 PolarHBondContact O-N 2.86Å; I360-E364 HydrophobicContact CG2-CB 4.38Å; I360-E364 CarbonylContact O-C 3.54Å; I360-E364 WeakPolarHBondContact O-CA 3.39Å; I360-E364 WeakPolarHBondContact O-CB 3.38Å; I360-E364 PolarHBondContact O-N 2.83Å; I360-T365 HydrophobicContact CG2-CG2 4.21Å; I360-T365 PolarHBondContact O-N 3.5Å
361	L	91.9	Very high	90.8	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.037	24%	0.235	C	C	.	.	I	π-helix	trans	-65.4	-34.7	-179.1	-69.4	172.7	0	0	0	112.1	L278 V290 A293 L294 L336 I339 A357 K358 T365 K379	L278-L361 HydrophobicContact CD1-CD2 4.16Å; V290-L361 HydrophobicContact CG1-CD2 4.18Å; A293-L361 HydrophobicContact CB-CD1 3.72Å; L294-L361 HydrophobicContact CD2-CB 4.49Å; L336-L361 HydrophobicContact CD2-CD1 3.64Å; I339-L361 HydrophobicContact CD1-CD1 4.26Å; A357-L361 WeakPolarHBondContact O-CG 3.44Å; A357-L361 PolarHBondContact O-N 2.65Å; K358-L361 PolarHBondContact O-N 2.83Å; L361-T365 VanDerWaalsContact C-OG1 3.3Å; L361-T365 WeakPolarHBondContact CA-OG1 3.4Å; L361-T365 HydrophobicContact CD2-CG2 4.07Å; L361-T365 PolarHBondContact O-OG1 2.95Å; L361-K379 PolarHBondContact O-NZ 3.15Å
362	Q	90.2	Very high	90.6	Very high	34 Å²	34	45.5 Å²	45.5	16%	0.159	21%	0.214	C	C	.	.	I	π-helix	trans	-77.1	-45.6	179.5	-175.1	-179.1	9.5	0	0	112.8	K358 E359 I360 V371 D373 K379	K358-Q362 VanDerWaalsContact O-CB 3.3Å; K358-Q362 WeakPolarHBondContact O-CB 3.47Å; K358-Q362 PolarHBondContact O-N 3.37Å; E359-Q362 PolarHBondContact O-N 2.75Å; I360-Q362 VanDerWaalsContact C-N 3.28Å; I360-Q362 PolarHBondContact O-N 2.86Å; Q362-V371 WeakPolarHBondContact CG-O 3.35Å; Q362-V371 PolarHBondContact NE2-O 3.03Å; Q362-D373 VanDerWaalsContact NE2-CG 3.29Å; Q362-D373 PolarHBondContact NE2-OD1 2.95Å; Q362-D373 PolarHBondContact OE1-OD1 3.4Å; Q362-K379 VanDerWaalsContact C-NZ 3.32Å; Q362-K379 PolarHBondContact O-NZ 2.87Å
363	K	87.9	Confident	90.1	Very high	69 Å²	69	43.5 Å²	43.5	30%	0.3	21%	0.21	S	C	.	.	I	π-helix	trans	-102.8	-34.8	-168	-74.6	-176.7	-170.5	170.5	0	114.1	R247 E359	R247-K363 PolarHBondContact NH1-O 2.84Å; E359-K363 HydrophobicContact CG-CD 3.86Å; E359-K363 HydrophobicContact CG-CG 4.48Å; E359-K363 VanDerWaalsContact O-CB 3.32Å; E359-K363 WeakPolarHBondContact O-CB 3.18Å; E359-K363 PolarHBondContact O-N 3.29Å; E359-K363 IonicContact OE1-NZ 3.85Å; E359-K363 PolarHBondContact OE1-NZ 2.65Å
364	E	89	Confident	89.8	Confident	36 Å²	36	47.8 Å²	47.8	17%	0.168	23%	0.231	C	C	.	.	I	π-helix	trans	-105.9	-31.2	-169.9	-55.9	-56.7	129	0	0	113.2	R247 S250 P279 Y280 I360 P367	R247-E364 IonicContact NH1-OE1 3.49Å; R247-E364 PolarHBondContact NH1-OE1 3.42Å; S250-E364 VanDerWaalsContact CB-O 3.29Å; S250-E364 WeakPolarHBondContact CB-O 3.36Å; P279-E364 HydrophobicContact CB-CB 4.35Å; Y280-E364 HydrophobicContact CD2-CB 4.26Å; Y280-E364 HydrophobicContact CD2-CG 4.07Å; Y280-E364 HydrophobicContact CE2-CB 4.05Å; Y280-E364 HydrophobicContact CE2-CG 3.75Å; Y280-E364 WeakPolarHBondContact CE2-OE2 3.35Å; Y280-E364 PolarHBondContact OH-OE2 2.78Å; I360-E364 HydrophobicContact CG2-CB 4.38Å; I360-E364 CarbonylContact O-C 3.54Å; I360-E364 WeakPolarHBondContact O-CA 3.39Å; I360-E364 WeakPolarHBondContact O-CB 3.38Å; I360-E364 PolarHBondContact O-N 2.83Å; E364-P367 WeakPolarHBondContact O-CD 3.44Å
365	T	90.2	Very high	89.5	Confident	8 Å²	8	46.5 Å²	46.5	5%	0.049	23%	0.225	C	C	.	.	S	Bend	trans	-82.9	122.2	173.6	63.7	0	0	0	0	111.1	L278 I360 L361 K379	L278-T365 HydrophobicContact CB-CG2 4.46Å; L278-T365 HydrophobicContact CD2-CG2 3.97Å; I360-T365 HydrophobicContact CG2-CG2 4.21Å; I360-T365 PolarHBondContact O-N 3.5Å; L361-T365 VanDerWaalsContact C-OG1 3.3Å; L361-T365 WeakPolarHBondContact CA-OG1 3.4Å; L361-T365 HydrophobicContact CD2-CG2 4.07Å; L361-T365 PolarHBondContact O-OG1 2.95Å; T365-K379 WeakPolarHBondContact O-CE 3.5Å; T365-K379 PolarHBondContact O-NZ 2.71Å
366	L	92.3	Very high	89.3	Confident	6 Å²	6	41.4 Å²	41.4	3%	0.031	20%	0.203	C	C	.	.	S	Bend	trans	51.8	50.3	177	-54.9	172	0	0	0	114.3	I238 L252 H368 V369 K379 F382 M386	I238-L366 HydrophobicContact CD1-CD2 4.21Å; I238-L366 HydrophobicContact CG2-CD2 3.92Å; L252-L366 HydrophobicContact CD2-CD2 3.82Å; L252-L366 HydrophobicContact CD2-CG 4.13Å; L366-H368 PolarHBondContact O-N 2.71Å; L366-H368 VanDerWaalsContact O-N 3.09Å; L366-H368 PolarHBondContact O-ND1 3.26Å; L366-V369 HydrophobicContact CB-CG2 4.22Å; L366-V369 PolarHBondContact O-N 3.15Å; L366-K379 HydrophobicContact CB-CG 4.45Å; L366-F382 HydrophobicContact CD1-CB 4.45Å; L366-F382 HydrophobicContact CD1-CD1 3.76Å; L366-F382 HydrophobicContact CD2-CD1 3.86Å; L366-F382 HydrophobicContact CD2-CE1 3.88Å; L366-F382 HydrophobicContact CG-CD1 4.4Å; L366-M386 HydrophobicContact CD2-SD 4.17Å
367	P	91.6	Very high	89.2	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.013	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-55.7	-31.4	-176	20.9	-35.5	0	0	0	115	E364 V369 G370 V371	E364-P367 WeakPolarHBondContact O-CD 3.44Å; P367-V369 PolarHBondContact O-N 2.82Å; P367-G370 PolarHBondContact O-N 3.43Å; P367-G370 VanDerWaalsContact O-N 3.16Å; P367-V371 HydrophobicContact CB-CG1 4.16Å
368	H	91.3	Very high	89.1	Confident	19 Å²	19	44 Å²	44	9%	0.088	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-62.7	-22	176.7	67.3	-45	0	0	0	115.3	N220 S240 L366 F382	N220-H368 VanDerWaalsContact CG-CD2 3.47Å; N220-H368 WeakPolarHBondContact OD1-CB 3.43Å; S240-H368 WeakPolarHBondContact CB-ND1 3.33Å; S240-H368 PolarHBondContact OG-CE1 3.06Å; S240-H368 PolarHBondContact OG-ND1 3.44Å; S240-H368 VanDerWaalsContact OG-ND1 3.15Å; L366-H368 PolarHBondContact O-N 2.71Å; L366-H368 VanDerWaalsContact O-N 3.09Å; L366-H368 PolarHBondContact O-ND1 3.26Å; H368-F382 AromaticContact NE2-CE1 3.94Å; H368-F382 AromaticContact NE2-CZ 3.65Å
369	V	91.8	Very high	89.2	Confident	14 Å²	14	40 Å²	40	9%	0.085	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-81.9	-28.4	176.2	-179.6	0	0	0	0	110.7	L366 P367 R378 K379 F382	L366-V369 HydrophobicContact CB-CG2 4.22Å; L366-V369 PolarHBondContact O-N 3.15Å; P367-V369 PolarHBondContact O-N 2.82Å; V369-R378 HydrophobicContact CG1-CB 3.63Å; V369-K379 HydrophobicContact CB-CG 4.23Å; V369-K379 HydrophobicContact CG1-CG 4.12Å; V369-F382 HydrophobicContact CG2-CB 4.23Å; V369-F382 HydrophobicContact CG2-CD1 4.49Å; V369-F382 HydrophobicContact CG2-CD2 4.34Å; V369-F382 HydrophobicContact CG2-CG 4.08Å
370	G	88.1	Confident	89.2	Confident	14 Å²	14	35.6 Å²	35.6	14%	0.144	18%	0.181	C	C	.	.			trans	153.4	150.2	-179.8	0	0	0	0	0	112.8	P367 K379	P367-G370 PolarHBondContact O-N 3.43Å; P367-G370 VanDerWaalsContact O-N 3.16Å; G370-K379 WeakPolarHBondContact O-CE 2.92Å; G370-K379 PolarHBondContact O-NZ 3.29Å
371	V	87.5	Confident	89.3	Confident	52 Å²	52	35.9 Å²	35.9	32%	0.315	18%	0.181	S	C	.	.			trans	-117.1	-2.4	179.3	-66.2	0	0	0	0	113.4	Q362 P367	Q362-V371 WeakPolarHBondContact CG-O 3.35Å; Q362-V371 PolarHBondContact NE2-O 3.03Å; P367-V371 HydrophobicContact CB-CG1 4.16Å
372	S	87	Confident	89.4	Confident	37 Å²	37	35.7 Å²	35.7	26%	0.259	18%	0.181	S	C	.	.	S	Bend	trans	-80.3	166.2	177.4	55.2	0	0	0	0	112.2	F374 C375	S372-F374 VanDerWaalsContact C-N 3.27Å; S372-F374 VanDerWaalsContact CB-CE1 3.46Å; S372-F374 VanDerWaalsContact CB-CZ 3.47Å; S372-F374 PolarHBondContact O-N 2.82Å; S372-F374 WeakPolarHBondContact OG-CE2 3.42Å; S372-F374 WeakPolarHBondContact OG-CZ 3.41Å; S372-C375 PolarHBondContact OG-SG 3.02Å
373	D	80.3	Confident	89.6	Confident	96 Å²	96	34.4 Å²	34.4	51%	0.513	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-65.9	-26.1	-178	-75.7	-45	0	0	0	113.4	Q362	Q362-D373 VanDerWaalsContact NE2-CG 3.29Å; Q362-D373 PolarHBondContact NE2-OD1 2.95Å; Q362-D373 PolarHBondContact OE1-OD1 3.4Å
374	F	84.1	Confident	89.9	Confident	150 Å²	150	31.1 Å²	31.1	66%	0.658	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-90.4	-1.1	-175	46	-93.2	0	0	0	114.2	S372 E376	S372-F374 VanDerWaalsContact C-N 3.27Å; S372-F374 VanDerWaalsContact CB-CE1 3.46Å; S372-F374 VanDerWaalsContact CB-CZ 3.47Å; S372-F374 PolarHBondContact O-N 2.82Å; S372-F374 WeakPolarHBondContact OG-CE2 3.42Å; S372-F374 WeakPolarHBondContact OG-CZ 3.41Å; F374-E376 VanDerWaalsContact C-N 3.32Å; F374-E376 PolarHBondContact O-N 3.06Å
375	C	87.4	Confident	90.1	Very high	7 Å²	7	29.8 Å²	29.8	5%	0.047	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-87.6	10.1	-179.3	-65.6	0	0	0	0	114.5	S372 T377 R378 K379	S372-C375 PolarHBondContact OG-SG 3.02Å; C375-T377 PolarHBondContact O-N 3.04Å; C375-R378 PolarHBondContact O-N 3.47Å; C375-K379 WeakPolarHBondContact O-CG 3.17Å; C375-K379 PolarHBondContact O-N 3.36Å; C375-K379 VanDerWaalsContact O-N 3.08Å
376	E	86.9	Confident	90.4	Very high	49 Å²	49	29.4 Å²	29.4	23%	0.229	15%	0.151	C	C	.	.	H	α-helix	trans	-62.1	-41.1	-177.8	-67.2	-179.1	168.4	0	0	111.8	F374 K379 A380	F374-E376 VanDerWaalsContact C-N 3.32Å; F374-E376 PolarHBondContact O-N 3.06Å; E376-K379 PolarHBondContact O-N 2.98Å; E376-A380 PolarHBondContact O-N 2.99Å
377	T	89.4	Confident	90.5	Very high	56 Å²	56	29.1 Å²	29.1	34%	0.344	15%	0.15	S	C	.	.	H	α-helix	trans	-62.6	-49.8	176.9	-51.9	0	0	0	0	111.9	F296 C375 K379 A380 Y381	F296-T377 HydrophobicContact CZ-CG2 4.37Å; C375-T377 PolarHBondContact O-N 3.04Å; T377-K379 VanDerWaalsContact C-N 3.27Å; T377-K379 PolarHBondContact O-N 2.87Å; T377-A380 WeakPolarHBondContact O-CB 3.37Å; T377-A380 PolarHBondContact O-N 2.95Å; T377-Y381 HydrophobicContact CG2-CD2 4.09Å; T377-Y381 HydrophobicContact CG2-CE2 3.88Å; T377-Y381 WeakPolarHBondContact O-CD2 3.42Å; T377-Y381 PolarHBondContact O-N 3.14Å
378	R	90.8	Very high	90.6	Very high	80 Å²	80	30.5 Å²	30.5	30%	0.302	16%	0.156	S	C	.	.	H	α-helix	trans	-58.9	-40.4	177.5	-58.9	-173.5	-166.7	-159.2	-7	111.8	V369 C375 Y381 F382 L571 E572	V369-R378 HydrophobicContact CG1-CB 3.63Å; C375-R378 PolarHBondContact O-N 3.47Å; R378-Y381 PolarHBondContact O-N 2.69Å; R378-F382 PolarHBondContact O-N 3.48Å; R378-L571 HydrophobicContact CB-CD2 4.44Å; R378-E572 HydrophobicContact CG-CG 4.17Å; R378-E572 WeakPolarHBondContact CG-OE1 3.28Å; R378-E572 IonicContact CZ-OE1 3.65Å; R378-E572 IonicContact CZ-OE2 2.71Å; R378-E572 VanDerWaalsContact NE-CD 3.27Å; R378-E572 IonicContact NE-OE1 2.83Å; R378-E572 PolarHBondContact NE-OE1 3.05Å; R378-E572 IonicContact NE-OE2 3.46Å; R378-E572 VanDerWaalsContact NH2-CD 3.35Å; R378-E572 IonicContact NH2-OE1 3.28Å; R378-E572 PolarHBondContact NH2-OE1 3.18Å; R378-E572 IonicContact NH2-OE2 3.38Å; R378-E572 PolarHBondContact NH2-OE2 3.46Å
379	K	92.7	Very high	90.7	Very high	4 Å²	4	30 Å²	30	2%	0.017	15%	0.154	C	C	.	.	H	α-helix	trans	-64.9	-37.4	175.6	-75.8	176.2	177.9	172.8	0	112.8	L361 Q362 T365 L366 V369 G370 C375 E376 T377 F382 L383	L361-K379 PolarHBondContact O-NZ 3.15Å; Q362-K379 VanDerWaalsContact C-NZ 3.32Å; Q362-K379 PolarHBondContact O-NZ 2.87Å; T365-K379 WeakPolarHBondContact O-CE 3.5Å; T365-K379 PolarHBondContact O-NZ 2.71Å; L366-K379 HydrophobicContact CB-CG 4.45Å; V369-K379 HydrophobicContact CB-CG 4.23Å; V369-K379 HydrophobicContact CG1-CG 4.12Å; G370-K379 WeakPolarHBondContact O-CE 2.92Å; G370-K379 PolarHBondContact O-NZ 3.29Å; C375-K379 WeakPolarHBondContact O-CG 3.17Å; C375-K379 PolarHBondContact O-N 3.36Å; C375-K379 VanDerWaalsContact O-N 3.08Å; E376-K379 PolarHBondContact O-N 2.98Å; T377-K379 VanDerWaalsContact C-N 3.27Å; T377-K379 PolarHBondContact O-N 2.87Å; K379-F382 PolarHBondContact O-N 2.88Å; K379-L383 VanDerWaalsContact O-CB 3.27Å; K379-L383 WeakPolarHBondContact O-CB 3.3Å; K379-L383 PolarHBondContact O-N 2.85Å
380	A	92.7	Very high	90.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.8	-43.2	176.8	0	0	0	0	0	111.8	F291 L294 F296 E376 T377 F382 L383 G384	F291-A380 HydrophobicContact CD1-CB 4.33Å; F291-A380 HydrophobicContact CE1-CB 4.2Å; F291-A380 WeakPolarHBondContact CE1-O 3.28Å; L294-A380 HydrophobicContact CD1-CB 4.16Å; F296-A380 HydrophobicContact CD2-CB 3.73Å; F296-A380 HydrophobicContact CE2-CB 3.17Å; F296-A380 HydrophobicContact CZ-CB 3.86Å; E376-A380 PolarHBondContact O-N 2.99Å; T377-A380 WeakPolarHBondContact O-CB 3.37Å; T377-A380 PolarHBondContact O-N 2.95Å; A380-F382 PolarHBondContact O-N 3.23Å; A380-L383 PolarHBondContact O-N 2.88Å; A380-G384 PolarHBondContact O-N 3.28Å
381	Y	92.5	Very high	91.1	Very high	13 Å²	13	28.7 Å²	28.7	5%	0.051	14%	0.143	C	C	.	.	H	α-helix	trans	-59.1	-46.8	172.6	-83.9	-69.2	0	0	0	112.4	H305 T377 R378 L383 G384 Y385 L571 I574 P576 I579 W591	H305-Y381 AromaticContact CD2-CD1 3.63Å; H305-Y381 AromaticContact CD2-CD2 3.99Å; H305-Y381 AromaticContact CD2-CE1 3.77Å; H305-Y381 AromaticContact CD2-CG 3.74Å; H305-Y381 AromaticContact NE2-CE2 3.92Å; H305-Y381 AromaticContact NE2-CZ 3.91Å; T377-Y381 HydrophobicContact CG2-CD2 4.09Å; T377-Y381 HydrophobicContact CG2-CE2 3.88Å; T377-Y381 WeakPolarHBondContact O-CD2 3.42Å; T377-Y381 PolarHBondContact O-N 3.14Å; R378-Y381 PolarHBondContact O-N 2.69Å; Y381-L383 PolarHBondContact O-N 2.61Å; Y381-G384 PolarHBondContact O-N 2.76Å; Y381-Y385 PolarHBondContact O-N 3.32Å; Y381-L571 HydrophobicContact CD1-CD1 4.32Å; Y381-L571 HydrophobicContact CD2-CD1 4.29Å; Y381-L571 HydrophobicContact CD2-CD2 3.83Å; Y381-L571 HydrophobicContact CD2-CG 3.67Å; Y381-L571 HydrophobicContact CE2-CG 4.1Å; Y381-L571 WeakPolarHBondContact CE2-O 3.39Å; Y381-L571 HydrophobicContact CG-CD1 4.1Å; Y381-L571 HydrophobicContact CG-CD2 3.88Å; Y381-L571 HydrophobicContact CG-CG 3.91Å; Y381-I574 PolarHBondContact OH-O 3.36Å; Y381-P576 HydrophobicContact CE1-CG 4.44Å; Y381-I579 HydrophobicContact CD1-CD1 4.29Å; Y381-I579 HydrophobicContact CE1-CD1 3.76Å; Y381-W591 HydrophobicContact CD1-CH2 4.25Å; Y381-W591 HydrophobicContact CD1-CZ3 4.2Å; Y381-W591 HydrophobicContact CG-CZ3 4.48Å
382	F	94.2	Very high	91.4	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-65.8	-39.3	178.6	-167.6	-87	0	0	0	112.4	V222 I238 L366 H368 V369 R378 K379 A380 G384 Y385 M386 F586 G589 W591	V222-F382 HydrophobicContact CG2-CE1 4.04Å; V222-F382 HydrophobicContact CG2-CZ 3.76Å; I238-F382 HydrophobicContact CD1-CE1 3.33Å; I238-F382 HydrophobicContact CD1-CZ 3.46Å; I238-F382 VanDerWaalsContact CD1-CZ 3.46Å; L366-F382 HydrophobicContact CD1-CB 4.45Å; L366-F382 HydrophobicContact CD1-CD1 3.76Å; L366-F382 HydrophobicContact CD2-CD1 3.86Å; L366-F382 HydrophobicContact CD2-CE1 3.88Å; L366-F382 HydrophobicContact CG-CD1 4.4Å; H368-F382 AromaticContact NE2-CE1 3.94Å; H368-F382 AromaticContact NE2-CZ 3.65Å; V369-F382 HydrophobicContact CG2-CB 4.23Å; V369-F382 HydrophobicContact CG2-CD1 4.49Å; V369-F382 HydrophobicContact CG2-CD2 4.34Å; V369-F382 HydrophobicContact CG2-CG 4.08Å; R378-F382 PolarHBondContact O-N 3.48Å; K379-F382 PolarHBondContact O-N 2.88Å; A380-F382 PolarHBondContact O-N 3.23Å; F382-G384 VanDerWaalsContact C-N 3.29Å; F382-G384 PolarHBondContact O-N 3.37Å; F382-Y385 HydrophobicContact CE2-CD1 4.44Å; F382-Y385 WeakPolarHBondContact O-CB 3.47Å; F382-Y385 PolarHBondContact O-N 2.85Å; F382-M386 HydrophobicContact CD1-CG 4.15Å; F382-M386 HydrophobicContact CD1-SD 4.16Å; F382-M386 HydrophobicContact CE1-CG 3.89Å; F382-M386 HydrophobicContact CE1-SD 3.89Å; F382-M386 WeakPolarHBondContact O-CG 3.21Å; F382-M386 PolarHBondContact O-N 3.4Å; F382-F586 HydrophobicContact CE2-CE1 4.34Å; F382-G589 VanDerWaalsContact CE2-O 3.25Å; F382-G589 WeakPolarHBondContact CE2-O 3.35Å; F382-W591 HydrophobicContact CD2-CB 4.33Å
383	L	94.3	Very high	91.7	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-40.1	173.4	-174.4	68.5	0	0	0	110.9	L252 I254 V290 F291 L294 K379 A380 Y381 M386 V387	L252-L383 HydrophobicContact CD2-CD1 4.19Å; I254-L383 HydrophobicContact CD1-CD1 3.62Å; V290-L383 HydrophobicContact CB-CD2 4.22Å; V290-L383 HydrophobicContact CG1-CD2 3.82Å; F291-L383 HydrophobicContact CD2-CD2 4.03Å; F291-L383 HydrophobicContact CE1-CD2 4.42Å; F291-L383 HydrophobicContact CE2-CD2 3.78Å; F291-L383 HydrophobicContact CE2-CG 4.01Å; F291-L383 HydrophobicContact CG-CD2 4.46Å; F291-L383 HydrophobicContact CZ-CB 4.15Å; F291-L383 HydrophobicContact CZ-CD2 4Å; F291-L383 HydrophobicContact CZ-CG 4Å; L294-L383 HydrophobicContact CD1-CD2 4.16Å; K379-L383 VanDerWaalsContact O-CB 3.27Å; K379-L383 WeakPolarHBondContact O-CB 3.3Å; K379-L383 PolarHBondContact O-N 2.85Å; A380-L383 PolarHBondContact O-N 2.88Å; Y381-L383 PolarHBondContact O-N 2.61Å; L383-M386 WeakPolarHBondContact O-CB 3.42Å; L383-M386 PolarHBondContact O-N 2.94Å; L383-V387 WeakPolarHBondContact O-CG2 3.42Å; L383-V387 PolarHBondContact O-N 3.47Å; L383-V387 VanDerWaalsContact O-N 3.13Å
384	G	93.9	Very high	92.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61	-46.2	174.4	0	0	0	0	0	112.3	H305 A380 Y381 F382 M386 V387 H388	H305-G384 CarbonylContact O-C 3.58Å; H305-G384 VanDerWaalsContact O-CA 3.29Å; H305-G384 WeakPolarHBondContact O-CA 3.38Å; A380-G384 PolarHBondContact O-N 3.28Å; Y381-G384 PolarHBondContact O-N 2.76Å; F382-G384 VanDerWaalsContact C-N 3.29Å; F382-G384 PolarHBondContact O-N 3.37Å; G384-M386 VanDerWaalsContact C-N 3.33Å; G384-M386 PolarHBondContact O-N 3.47Å; G384-V387 PolarHBondContact O-N 3.25Å; G384-V387 VanDerWaalsContact O-N 3.13Å; G384-H388 WeakPolarHBondContact O-CB 3.42Å; G384-H388 PolarHBondContact O-N 3.5Å
385	Y	94	Very high	92.7	Very high	8 Å²	8	16.8 Å²	16.8	3%	0.031	8%	0.084	C	C	.	.	H	α-helix	trans	-56.9	-41.9	172.7	174.2	-108.7	0	0	0	112.9	V222 Y308 Y381 F382 V387 H388 R389 F586 E629	V222-Y385 HydrophobicContact CG2-CD1 4.32Å; V222-Y385 HydrophobicContact CG2-CE1 4.14Å; Y308-Y385 WeakPolarHBondContact OH-CA 3.25Å; Y381-Y385 PolarHBondContact O-N 3.32Å; F382-Y385 HydrophobicContact CE2-CD1 4.44Å; F382-Y385 WeakPolarHBondContact O-CB 3.47Å; F382-Y385 PolarHBondContact O-N 2.85Å; Y385-V387 VanDerWaalsContact C-N 3.34Å; Y385-V387 PolarHBondContact O-N 3.37Å; Y385-H388 WeakPolarHBondContact O-CB 3.48Å; Y385-H388 PolarHBondContact O-N 3.42Å; Y385-R389 HydrophobicContact CE1-CG 4.33Å; Y385-R389 HydrophobicContact CE2-CG 4.01Å; Y385-R389 PolarHBondContact O-N 3.44Å; Y385-R389 WeakPolarHBondContact OH-CD 3.3Å; Y385-F586 HydrophobicContact CD1-CE1 4.25Å; Y385-F586 HydrophobicContact CD1-CZ 4.22Å; Y385-F586 HydrophobicContact CD2-CZ 4.3Å; Y385-F586 AromaticContact CE1-CE1 3.94Å; Y385-F586 HydrophobicContact CE1-CE1 3.94Å; Y385-F586 AromaticContact CE1-CZ 3.81Å; Y385-F586 HydrophobicContact CE1-CZ 3.81Å; Y385-F586 AromaticContact CE2-CZ 3.89Å; Y385-F586 HydrophobicContact CE2-CZ 3.89Å; Y385-F586 HydrophobicContact CG-CZ 4.44Å; Y385-F586 AromaticContact CZ-CZ 3.61Å; Y385-E629 WeakPolarHBondContact CE2-OE1 3.48Å; Y385-E629 VanDerWaalsContact CZ-OE1 3.28Å; Y385-E629 VanDerWaalsContact OH-CD 3.28Å; Y385-E629 PolarHBondContact OH-OE1 3.06Å; Y385-E629 PolarHBondContact OH-OE2 2.88Å
386	M	94.9	Very high	92.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.9	-39.9	175.9	-70.2	-177.6	68.5	0	0	112.9	V222 T236 I238 L252 I254 L366 F382 L383 G384 L390	V222-M386 HydrophobicContact CG1-CB 4.45Å; V222-M386 HydrophobicContact CG1-CG 4.09Å; V222-M386 HydrophobicContact CG2-CG 3.68Å; T236-M386 HydrophobicContact CG2-CE 3.98Å; I238-M386 HydrophobicContact CB-CE 3.89Å; I238-M386 HydrophobicContact CB-SD 4.42Å; I238-M386 HydrophobicContact CG2-CE 3.39Å; I238-M386 HydrophobicContact CG2-SD 3.76Å; L252-M386 HydrophobicContact CD2-CE 4.12Å; L252-M386 HydrophobicContact CD2-SD 3.9Å; L252-M386 HydrophobicContact CG-CE 4.43Å; I254-M386 HydrophobicContact CD1-CB 3.61Å; I254-M386 HydrophobicContact CD1-CE 3.82Å; I254-M386 HydrophobicContact CD1-CG 4.48Å; I254-M386 HydrophobicContact CD1-SD 4.09Å; I254-M386 HydrophobicContact CG1-CE 4.04Å; L366-M386 HydrophobicContact CD2-SD 4.17Å; F382-M386 HydrophobicContact CD1-CG 4.15Å; F382-M386 HydrophobicContact CD1-SD 4.16Å; F382-M386 HydrophobicContact CE1-CG 3.89Å; F382-M386 HydrophobicContact CE1-SD 3.89Å; F382-M386 WeakPolarHBondContact O-CG 3.21Å; F382-M386 PolarHBondContact O-N 3.4Å; L383-M386 WeakPolarHBondContact O-CB 3.42Å; L383-M386 PolarHBondContact O-N 2.94Å; G384-M386 VanDerWaalsContact C-N 3.33Å; G384-M386 PolarHBondContact O-N 3.47Å; M386-L390 PolarHBondContact O-N 2.99Å
387	V	95.2	Very high	93.1	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-69.5	-41.5	175.9	-179.9	0	0	0	0	110.1	I254 I274 V287 I306 I319 L383 G384 Y385 R389 L390 L391	I254-V387 HydrophobicContact CD1-CG2 4.1Å; I254-V387 HydrophobicContact CG2-CG2 4.37Å; I274-V387 HydrophobicContact CD1-CG1 4.02Å; V287-V387 HydrophobicContact CG1-CG2 3.74Å; I306-V387 HydrophobicContact CD1-CG1 4.29Å; I306-V387 HydrophobicContact CG1-CB 4.39Å; I306-V387 HydrophobicContact CG1-CG1 4.49Å; I306-V387 HydrophobicContact CG2-CB 3.98Å; I306-V387 HydrophobicContact CG2-CG1 3.64Å; I319-V387 HydrophobicContact CD1-CG1 4.4Å; L383-V387 WeakPolarHBondContact O-CG2 3.42Å; L383-V387 PolarHBondContact O-N 3.47Å; L383-V387 VanDerWaalsContact O-N 3.13Å; G384-V387 PolarHBondContact O-N 3.25Å; G384-V387 VanDerWaalsContact O-N 3.13Å; Y385-V387 VanDerWaalsContact C-N 3.34Å; Y385-V387 PolarHBondContact O-N 3.37Å; V387-R389 PolarHBondContact O-N 2.99Å; V387-L390 WeakPolarHBondContact O-CB 3.35Å; V387-L390 PolarHBondContact O-N 3.05Å; V387-L390 VanDerWaalsContact O-N 3.14Å; V387-L391 HydrophobicContact CG1-CD1 4.05Å; V387-L391 HydrophobicContact CG1-CG 4.33Å; V387-L391 WeakPolarHBondContact O-CG 3.37Å; V387-L391 PolarHBondContact O-N 2.99Å
388	H	93.9	Very high	93.2	Very high	31 Å²	31	25.5 Å²	25.5	14%	0.144	11%	0.112	C	C	.	.	H	α-helix	trans	-55.6	-50.2	175.6	-170.9	78.9	0	0	0	111.2	I306 Y308 G384 Y385 L390 L391 L392	I306-H388 WeakPolarHBondContact O-CB 3.47Å; I306-H388 PolarHBondContact O-ND1 3.34Å; Y308-H388 AromaticContact CD2-CE1 3.98Å; Y308-H388 HydrophobicContact CE2-CB 4.45Å; Y308-H388 AromaticContact CE2-CD2 3.94Å; Y308-H388 AromaticContact CE2-CG 3.9Å; G384-H388 WeakPolarHBondContact O-CB 3.42Å; G384-H388 PolarHBondContact O-N 3.5Å; Y385-H388 WeakPolarHBondContact O-CB 3.48Å; Y385-H388 PolarHBondContact O-N 3.42Å; H388-L390 VanDerWaalsContact C-N 3.31Å; H388-L390 PolarHBondContact O-N 3.05Å; H388-L391 WeakPolarHBondContact O-CB 3.5Å; H388-L391 PolarHBondContact O-N 3.33Å; H388-L391 VanDerWaalsContact O-N 3.1Å; H388-L392 WeakPolarHBondContact O-CG 3.49Å; H388-L392 PolarHBondContact O-N 2.86Å
389	R	93.5	Very high	93.2	Very high	8 Å²	8	27.3 Å²	27.3	3%	0.03	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-38.7	175.7	-77.2	-160.6	63.4	-169.8	-8.4	113.4	V222 V224 Y385 V387 A393 R398 D401	V222-R389 PolarHBondContact O-NH1 2.65Å; V224-R389 HydrophobicContact CG2-CB 4.19Å; Y385-R389 HydrophobicContact CE1-CG 4.33Å; Y385-R389 HydrophobicContact CE2-CG 4.01Å; Y385-R389 PolarHBondContact O-N 3.44Å; Y385-R389 WeakPolarHBondContact OH-CD 3.3Å; V387-R389 PolarHBondContact O-N 2.99Å; R389-A393 PolarHBondContact O-N 2.81Å; R389-R398 VanDerWaalsContact CZ-CZ 3.4Å; R389-R398 VanDerWaalsContact CZ-NH2 3.29Å; R389-D401 IonicContact CZ-OD2 3.16Å; R389-D401 IonicContact NH2-OD1 3.43Å; R389-D401 PolarHBondContact NH2-OD1 3.28Å; R389-D401 IonicContact NH2-OD2 2.8Å; R389-D401 PolarHBondContact NH2-OD2 3.46Å
390	L	94.7	Very high	93.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-43.1	174.8	176.6	61.7	0	0	0	111.5	V224 Y234 T236 I254 M256 I274 M386 V387 H388 A393 A394	V224-L390 HydrophobicContact CG1-CD1 4.1Å; Y234-L390 VanDerWaalsContact CB-CD1 3.47Å; Y234-L390 HydrophobicContact CG-CD1 4.41Å; T236-L390 WeakPolarHBondContact OG1-CB 3.38Å; T236-L390 WeakPolarHBondContact OG1-CD1 3.21Å; I254-L390 HydrophobicContact CG2-CD2 3.87Å; M256-L390 HydrophobicContact CB-CD1 4.35Å; M256-L390 HydrophobicContact CB-CD2 4.3Å; M256-L390 HydrophobicContact CE-CG 4.37Å; I274-L390 HydrophobicContact CG2-CD2 3.77Å; M386-L390 PolarHBondContact O-N 2.99Å; V387-L390 WeakPolarHBondContact O-CB 3.35Å; V387-L390 PolarHBondContact O-N 3.05Å; V387-L390 VanDerWaalsContact O-N 3.14Å; H388-L390 VanDerWaalsContact C-N 3.31Å; H388-L390 PolarHBondContact O-N 3.05Å; L390-A393 PolarHBondContact O-N 2.91Å; L390-A394 WeakPolarHBondContact O-CB 3.43Å; L390-A394 PolarHBondContact O-N 3.19Å
391	L	93.9	Very high	93.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.3	-43.4	178.7	-68.4	171.9	0	0	0	111.5	M256 I274 I306 M315 M318 I319 V387 H388 A393 A394 L395	M256-L391 HydrophobicContact CE-CD2 4.18Å; I274-L391 HydrophobicContact CD1-CD2 3.95Å; I306-L391 HydrophobicContact CG2-CD1 3.91Å; M315-L391 HydrophobicContact CE-CB 4.3Å; M315-L391 HydrophobicContact CG-CB 4.11Å; M315-L391 HydrophobicContact CG-CD1 3.6Å; M315-L391 HydrophobicContact CG-CG 4.37Å; M315-L391 HydrophobicContact SD-CB 4.27Å; M315-L391 HydrophobicContact SD-CD1 4.02Å; M318-L391 HydrophobicContact CB-CD2 4.11Å; M318-L391 HydrophobicContact CG-CD2 3.71Å; M318-L391 HydrophobicContact SD-CD2 3.53Å; M318-L391 VanDerWaalsContact SD-CD2 3.53Å; I319-L391 HydrophobicContact CD1-CD1 4.47Å; V387-L391 HydrophobicContact CG1-CD1 4.05Å; V387-L391 HydrophobicContact CG1-CG 4.33Å; V387-L391 WeakPolarHBondContact O-CG 3.37Å; V387-L391 PolarHBondContact O-N 2.99Å; H388-L391 WeakPolarHBondContact O-CB 3.5Å; H388-L391 PolarHBondContact O-N 3.33Å; H388-L391 VanDerWaalsContact O-N 3.1Å; L391-A393 VanDerWaalsContact C-N 3.3Å; L391-A393 PolarHBondContact O-N 3.13Å; L391-A394 PolarHBondContact O-N 3.03Å; L391-A394 VanDerWaalsContact O-N 3.16Å; L391-L395 WeakPolarHBondContact O-CB 3.45Å; L391-L395 WeakPolarHBondContact O-CG 3.41Å; L391-L395 PolarHBondContact O-N 3.47Å
392	L	93.5	Very high	93.3	Very high	25 Å²	25	34.6 Å²	34.6	13%	0.131	17%	0.171	C	C	.	.	H	α-helix	trans	-57	-42.8	175.2	-70.1	177.6	0	0	0	112.1	M315 H388 K396 R397 R398	M315-L392 HydrophobicContact CE-CD2 3.87Å; M315-L392 HydrophobicContact CE-CG 4.43Å; H388-L392 WeakPolarHBondContact O-CG 3.49Å; H388-L392 PolarHBondContact O-N 2.86Å; L392-K396 PolarHBondContact O-N 2.98Å; L392-K396 VanDerWaalsContact O-N 3.16Å; L392-R397 HydrophobicContact CD2-CB 4.01Å; L392-R397 PolarHBondContact O-N 3.24Å; L392-R398 HydrophobicContact CB-CB 4.04Å; L392-R398 PolarHBondContact O-N 2.82Å
393	A	93	Very high	93.1	Very high	5 Å²	5	40.5 Å²	40.5	4%	0.041	19%	0.192	C	C	.	.	H	α-helix	trans	-71.4	-35.2	177	0	0	0	0	0	113	V224 R389 L390 L391 K396 R398	V224-A393 HydrophobicContact CB-CB 4.32Å; V224-A393 HydrophobicContact CG1-CB 3.66Å; R389-A393 PolarHBondContact O-N 2.81Å; L390-A393 PolarHBondContact O-N 2.91Å; L391-A393 VanDerWaalsContact C-N 3.3Å; L391-A393 PolarHBondContact O-N 3.13Å; A393-K396 PolarHBondContact O-N 2.78Å; A393-R398 WeakPolarHBondContact CA-O 3.18Å
394	A	92.4	Very high	93	Very high	17 Å²	17	41.6 Å²	41.6	14%	0.14	20%	0.198	C	C	.	.	H	α-helix	trans	-69.6	-37.3	176.8	0	0	0	0	0	112.4	Y234 M256 M318 L390 L391 K396	Y234-A394 HydrophobicContact CD2-CB 4.32Å; Y234-A394 HydrophobicContact CE2-CB 4.22Å; M256-A394 HydrophobicContact CE-CB 3.53Å; M256-A394 HydrophobicContact SD-CB 3.8Å; M318-A394 HydrophobicContact CE-CB 4.18Å; M318-A394 HydrophobicContact SD-CB 3.68Å; L390-A394 WeakPolarHBondContact O-CB 3.43Å; L390-A394 PolarHBondContact O-N 3.19Å; L391-A394 PolarHBondContact O-N 3.03Å; L391-A394 VanDerWaalsContact O-N 3.16Å; A394-K396 PolarHBondContact O-N 3.41Å
395	L	92.6	Very high	93	Very high	39 Å²	39	42.8 Å²	42.8	20%	0.204	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-2.1	173.4	-70.1	169.7	0	0	0	113.2	E314 M315 M318 L391 R397	E314-L395 HydrophobicContact CB-CD2 4.17Å; M315-L395 HydrophobicContact CB-CD1 4.13Å; M315-L395 HydrophobicContact CE-CD1 4.24Å; M315-L395 HydrophobicContact CG-CD1 4.47Å; M318-L395 HydrophobicContact CE-CD2 3.31Å; M318-L395 HydrophobicContact CE-CG 3.62Å; M318-L395 HydrophobicContact SD-CD2 4.39Å; M318-L395 HydrophobicContact SD-CG 4.15Å; L391-L395 WeakPolarHBondContact O-CB 3.45Å; L391-L395 WeakPolarHBondContact O-CG 3.41Å; L391-L395 PolarHBondContact O-N 3.47Å; L395-R397 HydrophobicContact CB-CG 4.03Å; L395-R397 PolarHBondContact O-N 3.47Å
396	K	91.1	Very high	93	Very high	175 Å²	175	42.6 Å²	42.6	76%	0.761	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	26.2	-176.5	-50.5	176.9	-178.5	173.1	0	114.3	L392 A393 A394	L392-K396 PolarHBondContact O-N 2.98Å; L392-K396 VanDerWaalsContact O-N 3.16Å; A393-K396 PolarHBondContact O-N 2.78Å; A394-K396 PolarHBondContact O-N 3.41Å
397	R	91.8	Very high	92.9	Very high	89 Å²	89	42.6 Å²	42.6	34%	0.336	20%	0.204	S	C	.	.	S	Bend	trans	-80.5	-28.1	173.5	-62.6	-174.8	-174.4	174.3	6.2	111.9	D312 E314 L392 L395 R626	D312-R397 IonicContact OD1-CZ 3.78Å; D312-R397 IonicContact OD1-NH1 3.24Å; D312-R397 IonicContact OD1-NH2 3.38Å; D312-R397 PolarHBondContact OD1-NH2 3.36Å; D312-R397 IonicContact OD2-CZ 3.98Å; D312-R397 VanDerWaalsContact OD2-CZ 3.29Å; D312-R397 IonicContact OD2-NH1 2.66Å; D312-R397 PolarHBondContact OD2-NH1 2.92Å; D312-R397 IonicContact OD2-NH2 3.44Å; D312-R397 PolarHBondContact OD2-NH2 3.49Å; E314-R397 IonicContact OE2-CZ 2.96Å; E314-R397 IonicContact OE2-NE 3.92Å; E314-R397 IonicContact OE2-NH2 2.82Å; E314-R397 PolarHBondContact OE2-NH2 3.14Å; L392-R397 HydrophobicContact CD2-CB 4.01Å; L392-R397 PolarHBondContact O-N 3.24Å; L395-R397 HydrophobicContact CB-CG 4.03Å; L395-R397 PolarHBondContact O-N 3.47Å; R397-R626 PolarHBondContact O-NH2 2.94Å
398	R	90.8	Very high	92.9	Very high	31 Å²	31	43.7 Å²	43.7	12%	0.117	21%	0.209	C	C	.	.	S	Bend	trans	-124.8	144.6	170.8	-173	173.8	169.1	167.5	3.4	109.6	R389 L392 A393 D401 D627	R389-R398 VanDerWaalsContact CZ-CZ 3.4Å; R389-R398 VanDerWaalsContact CZ-NH2 3.29Å; L392-R398 HydrophobicContact CB-CB 4.04Å; L392-R398 PolarHBondContact O-N 2.82Å; A393-R398 WeakPolarHBondContact CA-O 3.18Å; R398-D401 IonicContact NH2-OD1 3.15Å; R398-D627 WeakPolarHBondContact CD-OD2 3.44Å; R398-D627 IonicContact CZ-OD2 2.87Å; R398-D627 IonicContact NE-OD2 2.86Å; R398-D627 PolarHBondContact NE-OD2 2.98Å; R398-D627 IonicContact NH1-OD2 3.67Å; R398-D627 PolarHBondContact NH1-OD2 3.15Å; R398-D627 IonicContact NH2-OD2 3.89Å
399	D	92.6	Very high	92.9	Very high	117 Å²	117	43.2 Å²	43.2	63%	0.626	21%	0.207	S	C	*	.	P	Polyproline II helix	trans	-70.7	160.1	174	-64.7	-59.6	0	0	0	111.3	R626	D399-R626 IonicContact OD2-NH1 3.72Å
400	V	93.5	Very high	93	Very high	70 Å²	70	43 Å²	43	42%	0.424	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-72.5	146.7	174	-67	0	0	0	0	110.1	K226 Y234	K226-V400 HydrophobicContact CB-CG1 4.24Å; Y234-V400 HydrophobicContact CE1-CG1 4.18Å
401	D	93.8	Very high	93	Very high	28 Å²	28	43.1 Å²	43.1	15%	0.15	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-69.8	142.6	179.6	-59.9	-63.8	0	0	0	111	Y223 V224 F225 R389 R398	Y223-D401 VanDerWaalsContact CA-OD2 3.3Å; Y223-D401 WeakPolarHBondContact CA-OD2 3.41Å; Y223-D401 HydrophobicContact CD1-CB 4.19Å; V224-D401 PolarHBondContact N-OD2 2.87Å; V224-D401 PolarHBondContact O-N 3Å; V224-D401 VanDerWaalsContact O-N 3.07Å; F225-D401 WeakPolarHBondContact CD1-O 3.38Å; F225-D401 HydrophobicContact CE1-CB 4.17Å; F225-D401 VanDerWaalsContact CE1-O 3.32Å; F225-D401 WeakPolarHBondContact CE1-O 3.15Å; R389-D401 IonicContact CZ-OD2 3.16Å; R389-D401 IonicContact NH2-OD1 3.43Å; R389-D401 PolarHBondContact NH2-OD1 3.28Å; R389-D401 IonicContact NH2-OD2 2.8Å; R389-D401 PolarHBondContact NH2-OD2 3.46Å; R398-D401 IonicContact NH2-OD1 3.15Å
402	D	92.9	Very high	92.9	Very high	73 Å²	73	44.1 Å²	44.1	39%	0.39	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-85.2	128.2	174.2	-167.8	-10.2	0	0	0	111	D404 H405 N408 H520	D402-D404 VanDerWaalsContact C-N 3.32Å; D402-D404 PolarHBondContact OD1-N 3.33Å; D402-H405 HydrophobicContact CB-CB 4.1Å; D402-N408 PolarHBondContact O-ND2 3.41Å; D402-H520 IonicContact OD2-CD2 3.24Å; D402-H520 IonicContact OD2-NE2 3.5Å; D402-H520 PolarHBondContact OD2-NE2 3.3Å; D402-H520 VanDerWaalsContact OD2-NE2 3.12Å
403	R	89.9	Confident	93	Very high	127 Å²	127	43.2 Å²	43.2	48%	0.479	21%	0.207	S	C	.	.	S	Bend	trans	-72.1	-28.4	177.4	-64.4	-179	-158.7	179.2	10.3	112.3	F225 K409	F225-R403 HydrophobicContact CD1-CG 3.67Å; F225-R403 HydrophobicContact CE1-CB 4.32Å; F225-R403 HydrophobicContact CE1-CG 3.2Å; F225-R403 HydrophobicContact CE2-CG 4.36Å; F225-R403 HydrophobicContact CG-CG 4.42Å; F225-R403 HydrophobicContact CZ-CG 3.59Å; R403-K409 WeakPolarHBondContact O-CE 3.36Å
404	D	91.4	Very high	93	Very high	29 Å²	29	43 Å²	43	16%	0.155	21%	0.206	C	C	.	.	S	Bend	trans	-90.2	-17.4	-174.1	-69.8	-39.1	0	0	0	112.6	D402 Y406 K409 R515	D402-D404 VanDerWaalsContact C-N 3.32Å; D402-D404 PolarHBondContact OD1-N 3.33Å; D404-Y406 PolarHBondContact O-N 3.07Å; D404-K409 PolarHBondContact O-NZ 3.16Å; D404-K409 IonicContact OD1-NZ 2.87Å; D404-R515 WeakPolarHBondContact OD2-CB 3.35Å
405	H	94.8	Very high	92.9	Very high	26 Å²	26	42.2 Å²	42.2	12%	0.12	20%	0.199	C	C	.	.			trans	-50.4	122	173	-164.3	-76	0	0	0	111.7	D402 G407 N408 T522 E689	D402-H405 HydrophobicContact CB-CB 4.1Å; H405-G407 VanDerWaalsContact C-N 3.34Å; H405-G407 PolarHBondContact ND1-N 3.43Å; H405-G407 VanDerWaalsContact ND1-N 3.14Å; H405-G407 PolarHBondContact O-N 3.07Å; H405-N408 WeakPolarHBondContact O-CB 3.45Å; H405-N408 PolarHBondContact O-N 2.98Å; H405-N408 VanDerWaalsContact O-N 3.15Å; H405-T522 WeakPolarHBondContact CD2-CG2 3.5Å; H405-T522 WeakPolarHBondContact NE2-CG2 3.48Å; H405-E689 IonicContact CD2-OE1 2.62Å; H405-E689 IonicContact CE1-OE1 3.86Å; H405-E689 PolarHBondContact CE1-OE1 2.86Å; H405-E689 IonicContact ND1-OE1 2.79Å; H405-E689 IonicContact NE2-OE1 3.85Å; H405-E689 PolarHBondContact NE2-OE1 2.88Å
406	Y	93.8	Very high	92.8	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.012	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-75.3	-23.7	-170	-147.7	-96.6	0	0	0	113.6	E215 D404 N408 K409 L411 T522 L523 I527 I639	E215-Y406 HydrophobicContact CG-CE2 4.4Å; D404-Y406 PolarHBondContact O-N 3.07Å; Y406-N408 PolarHBondContact O-N 2.87Å; Y406-K409 HydrophobicContact CD2-CD 3.83Å; Y406-K409 HydrophobicContact CE2-CD 4.18Å; Y406-K409 HydrophobicContact CG-CD 4.47Å; Y406-K409 WeakPolarHBondContact O-CB 3.43Å; Y406-K409 PolarHBondContact O-N 3.45Å; Y406-L411 WeakPolarHBondContact OH-CD2 3.12Å; Y406-T522 VanDerWaalsContact CB-OG1 3.31Å; Y406-T522 WeakPolarHBondContact CB-OG1 3.46Å; Y406-T522 PolarHBondContact N-OG1 2.98Å; Y406-T522 VanDerWaalsContact N-OG1 3.11Å; Y406-L523 HydrophobicContact CD2-CD2 3.56Å; Y406-L523 HydrophobicContact CE2-CD2 4.12Å; Y406-L523 HydrophobicContact CG-CD2 3.85Å; Y406-I527 HydrophobicContact CD2-CD1 4.26Å; Y406-I527 HydrophobicContact CE1-CD1 4.14Å; Y406-I527 HydrophobicContact CE2-CD1 3.59Å; Y406-I639 HydrophobicContact CD1-CG2 3.62Å; Y406-I639 HydrophobicContact CE1-CB 4.38Å; Y406-I639 HydrophobicContact CE1-CG2 3.7Å
407	G	93.1	Very high	92.8	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-60.3	-23.9	169.3	0	0	0	0	0	114.3	H405 K409 R410 T685	H405-G407 VanDerWaalsContact C-N 3.34Å; H405-G407 PolarHBondContact ND1-N 3.43Å; H405-G407 VanDerWaalsContact ND1-N 3.14Å; H405-G407 PolarHBondContact O-N 3.07Å; G407-K409 PolarHBondContact O-N 3.33Å; G407-R410 PolarHBondContact O-NH1 3.36Å; G407-T685 WeakPolarHBondContact CA-OG1 3.19Å; G407-T685 PolarHBondContact N-OG1 2.93Å
408	N	94.4	Very high	92.9	Very high	23 Å²	23	30.5 Å²	30.5	12%	0.123	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-87.8	10.5	176.1	-64.7	-29.2	0	0	0	112.9	A218 Y223 D402 H405 Y406	A218-N408 WeakPolarHBondContact CB-O 3.34Å; A218-N408 PolarHBondContact N-O 2.67Å; Y223-N408 HydrophobicContact CE1-CB 3.66Å; Y223-N408 VanDerWaalsContact CE1-CG 3.44Å; Y223-N408 PolarHBondContact OH-O 3.31Å; D402-N408 PolarHBondContact O-ND2 3.41Å; H405-N408 WeakPolarHBondContact O-CB 3.45Å; H405-N408 PolarHBondContact O-N 2.98Å; H405-N408 VanDerWaalsContact O-N 3.15Å; Y406-N408 PolarHBondContact O-N 2.87Å
409	K	94.7	Very high	92.9	Very high	21 Å²	21	29.3 Å²	29.3	9%	0.091	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	157.6	-176.8	-62.6	170.8	171	-175.2	0	110.2	E215 K216 R403 D404 Y406 G407	E215-K409 HydrophobicContact CG-CB 4.33Å; E215-K409 HydrophobicContact CG-CD 4.04Å; E215-K409 WeakPolarHBondContact OE1-CD 3.32Å; E215-K409 WeakPolarHBondContact OE1-CE 3.37Å; E215-K409 IonicContact OE1-NZ 2.77Å; E215-K409 PolarHBondContact OE1-NZ 2.89Å; K216-K409 CarbonylContact O-C 3.45Å; K216-K409 WeakPolarHBondContact O-CA 3.29Å; K216-K409 WeakPolarHBondContact O-CB 3.39Å; R403-K409 WeakPolarHBondContact O-CE 3.36Å; D404-K409 PolarHBondContact O-NZ 3.16Å; D404-K409 IonicContact OD1-NZ 2.87Å; Y406-K409 HydrophobicContact CD2-CD 3.83Å; Y406-K409 HydrophobicContact CE2-CD 4.18Å; Y406-K409 HydrophobicContact CG-CD 4.47Å; Y406-K409 WeakPolarHBondContact O-CB 3.43Å; Y406-K409 PolarHBondContact O-N 3.45Å; G407-K409 PolarHBondContact O-N 3.33Å
410	R	94.5	Very high	92.6	Very high	5 Å²	5	29.6 Å²	29.6	2%	0.019	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	150	175.2	-63.1	-64.8	-179	-95.4	5.6	109.5	K216 A218 G407 D635 G637 R638	K216-R410 HydrophobicContact CG-CB 4.14Å; K216-R410 PolarHBondContact N-O 3.21Å; K216-R410 PolarHBondContact O-N 3.41Å; A218-R410 HydrophobicContact CB-CG 3.84Å; G407-R410 PolarHBondContact O-NH1 3.36Å; R410-D635 IonicContact CZ-OD1 3.85Å; R410-D635 IonicContact CZ-OD2 3.41Å; R410-D635 IonicContact NE-OD1 2.86Å; R410-D635 PolarHBondContact NE-OD1 3.33Å; R410-D635 IonicContact NE-OD2 2.68Å; R410-D635 PolarHBondContact NE-OD2 3.5Å; R410-D635 IonicContact NH2-OD1 2.89Å; R410-D635 PolarHBondContact NH2-OD1 2.99Å; R410-D635 IonicContact NH2-OD2 3.48Å; R410-D635 PolarHBondContact NH2-OD2 3.49Å; R410-G637 CarbonylContact C-O 3.53Å; R410-G637 WeakPolarHBondContact CA-O 3.21Å; R410-R638 VanDerWaalsContact CZ-CG 3.42Å; R410-R638 VanDerWaalsContact NE-CG 3.28Å
411	L	94.9	Very high	92.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.6	177.2	-69.9	176.6	0	0	0	109.8	A213 E215 Y406 L413 L503 L544 I550 G637 I639	A213-L411 HydrophobicContact CB-CD2 4.45Å; E215-L411 HydrophobicContact CB-CD2 4.27Å; Y406-L411 WeakPolarHBondContact OH-CD2 3.12Å; L411-L413 PolarHBondContact O-N 3.43Å; L411-L503 HydrophobicContact CD2-CB 4.15Å; L411-L503 HydrophobicContact CD2-CD1 4.41Å; L411-L544 HydrophobicContact CD1-CD2 4.35Å; L411-I550 HydrophobicContact CB-CD1 4.46Å; L411-I550 HydrophobicContact CD1-CD1 3.57Å; L411-I550 HydrophobicContact CD1-CG1 4.2Å; L411-G637 PolarHBondContact N-O 2.89Å; L411-G637 VanDerWaalsContact O-CA 3.27Å; L411-G637 WeakPolarHBondContact O-CA 3.32Å; L411-I639 HydrophobicContact CD1-CD1 4.34Å
412	D	92.7	Very high	92.4	Very high	22 Å²	22	25.3 Å²	25.3	12%	0.118	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	107.6	168.2	-73.7	-26.7	0	0	0	109	A213 Q214 K216 L417	A213-D412 WeakPolarHBondContact CA-O 3.12Å; Q214-D412 HydrophobicContact CB-CB 4.34Å; Q214-D412 PolarHBondContact N-O 3.28Å; Q214-D412 PolarHBondContact O-N 2.89Å; K216-D412 WeakPolarHBondContact CD-OD2 3.35Å; K216-D412 WeakPolarHBondContact CE-OD1 3.39Å; K216-D412 IonicContact NZ-OD1 3.69Å; K216-D412 PolarHBondContact NZ-OD1 2.73Å; K216-D412 IonicContact NZ-OD2 3.82Å; D412-L417 HydrophobicContact CB-CD2 3.99Å; D412-L417 HydrophobicContact CB-CG 4.06Å
413	L	94	Very high	92.2	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.026	11%	0.113	C	C	.	.			trans	-88	-173.5	175.2	-64.7	-177.6	0	0	0	112	Q60 S64 A213 L411 G415 L417 I550	Q60-L413 HydrophobicContact CB-CD1 4.03Å; Q60-L413 WeakPolarHBondContact O-CD1 3.34Å; S64-L413 VanDerWaalsContact OG-CB 3.29Å; S64-L413 WeakPolarHBondContact OG-CB 3.4Å; A213-L413 HydrophobicContact CB-CD2 3.6Å; L411-L413 PolarHBondContact O-N 3.43Å; L413-G415 VanDerWaalsContact C-N 3.28Å; L413-G415 PolarHBondContact O-N 2.9Å; L413-L417 VanDerWaalsContact O-CB 3.31Å; L413-L417 WeakPolarHBondContact O-CB 3.37Å; L413-L417 WeakPolarHBondContact O-CD1 3.41Å; L413-L417 WeakPolarHBondContact O-CG 3.46Å; L413-L417 PolarHBondContact O-N 3.04Å; L413-L417 VanDerWaalsContact O-N 3.15Å; L413-I550 HydrophobicContact CD1-CB 3.91Å; L413-I550 HydrophobicContact CD1-CD1 4.05Å; L413-I550 HydrophobicContact CD1-CG2 3.59Å; L413-I550 HydrophobicContact CD2-CD1 3.84Å; L413-I550 HydrophobicContact CG-CD1 4.35Å; L413-I550 HydrophobicContact CG-CG2 4.23Å
414	A	92.7	Very high	92.1	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-52.5	-43.2	-178.6	0	0	0	0	0	113.1	M172 L211 L418	M172-A414 HydrophobicContact CE-CB 3.72Å; L211-A414 HydrophobicContact CD1-CB 3.91Å; A414-L418 VanDerWaalsContact O-CB 3.27Å; A414-L418 WeakPolarHBondContact O-CB 3.34Å; A414-L418 WeakPolarHBondContact O-CG 3.27Å; A414-L418 PolarHBondContact O-N 2.89Å
415	G	92	Very high	92.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.7	-64	-178.6	0	0	0	0	0	113.4	S64 L413 L417 L418 A419	S64-G415 WeakPolarHBondContact O-CA 3.29Å; S64-G415 WeakPolarHBondContact OG-CA 3.33Å; S64-G415 PolarHBondContact OG-N 2.79Å; L413-G415 VanDerWaalsContact C-N 3.28Å; L413-G415 PolarHBondContact O-N 2.9Å; G415-L417 VanDerWaalsContact C-N 3.25Å; G415-L417 PolarHBondContact O-N 3.13Å; G415-L418 PolarHBondContact O-N 3.49Å; G415-L418 VanDerWaalsContact O-N 3.12Å; G415-A419 WeakPolarHBondContact O-CB 3.11Å; G415-A419 PolarHBondContact O-N 3.33Å
416	P	90.1	Very high	92	Very high	42 Å²	42	19.5 Å²	19.5	27%	0.273	11%	0.107	S	C	.	.	H	α-helix	trans	-56.5	-36.1	177.8	-28.3	35.5	0	0	0	114	S64 F420	S64-P416 WeakPolarHBondContact OG-CD 3.38Å; P416-F420 PolarHBondContact O-N 2.74Å
417	L	91.5	Very high	91.8	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.052	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-44	176.8	-71.5	173	0	0	0	112.2	Q214 D412 L413 G415 L421 W471 V484	Q214-L417 HydrophobicContact CG-CD1 4.39Å; Q214-L417 HydrophobicContact CG-CD2 4.29Å; D412-L417 HydrophobicContact CB-CD2 3.99Å; D412-L417 HydrophobicContact CB-CG 4.06Å; L413-L417 VanDerWaalsContact O-CB 3.31Å; L413-L417 WeakPolarHBondContact O-CB 3.37Å; L413-L417 WeakPolarHBondContact O-CD1 3.41Å; L413-L417 WeakPolarHBondContact O-CG 3.46Å; L413-L417 PolarHBondContact O-N 3.04Å; L413-L417 VanDerWaalsContact O-N 3.15Å; G415-L417 VanDerWaalsContact C-N 3.25Å; G415-L417 PolarHBondContact O-N 3.13Å; L417-L421 PolarHBondContact O-N 3.03Å; L417-W471 HydrophobicContact CB-CZ2 3.66Å; L417-W471 PolarHBondContact O-NE1 3.01Å; L417-V484 HydrophobicContact CD1-CG1 3.72Å; L417-V484 HydrophobicContact CD2-CG1 4.37Å
418	L	92.6	Very high	91.7	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-70.6	-38.6	176.5	-73.3	173	0	0	0	111.7	F65 F68 F202 L211 A414 G415 F420 L421 F422 L462 L466 W471	F65-L418 HydrophobicContact CD2-CD1 3.77Å; F65-L418 HydrophobicContact CE2-CD1 3.86Å; F68-L418 HydrophobicContact CD1-CB 4.1Å; F68-L418 HydrophobicContact CD1-CD1 4.11Å; F68-L418 HydrophobicContact CD2-CB 4.33Å; F68-L418 HydrophobicContact CE1-CB 3.75Å; F68-L418 HydrophobicContact CE1-CD1 4Å; F68-L418 HydrophobicContact CE1-CG 4.5Å; F68-L418 HydrophobicContact CE2-CB 4.03Å; F68-L418 HydrophobicContact CG-CB 4.36Å; F68-L418 HydrophobicContact CZ-CB 3.71Å; F202-L418 HydrophobicContact CZ-CD1 3.94Å; L211-L418 HydrophobicContact CD1-CG 4.28Å; A414-L418 VanDerWaalsContact O-CB 3.27Å; A414-L418 WeakPolarHBondContact O-CB 3.34Å; A414-L418 WeakPolarHBondContact O-CG 3.27Å; A414-L418 PolarHBondContact O-N 2.89Å; G415-L418 PolarHBondContact O-N 3.49Å; G415-L418 VanDerWaalsContact O-N 3.12Å; L418-F420 VanDerWaalsContact C-N 3.33Å; L418-F420 PolarHBondContact O-N 3.43Å; L418-L421 PolarHBondContact O-N 3.28Å; L418-F422 VanDerWaalsContact O-CB 3.28Å; L418-F422 WeakPolarHBondContact O-CB 3.39Å; L418-F422 PolarHBondContact O-N 3.06Å; L418-L462 HydrophobicContact CD2-CD2 4.42Å; L418-L466 HydrophobicContact CD2-CD2 4.26Å; L418-W471 HydrophobicContact CD2-CH2 4.37Å; L418-W471 HydrophobicContact CD2-CZ2 4.27Å
419	A	90.5	Very high	91.6	Very high	7 Å²	7	31 Å²	31	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-56.8	-46.3	173.9	0	0	0	0	0	111.8	F68 I76 G415 L421 R423	F68-A419 HydrophobicContact CD2-CB 3.95Å; F68-A419 HydrophobicContact CE2-CB 4.08Å; I76-A419 HydrophobicContact CD1-CB 3.98Å; G415-A419 WeakPolarHBondContact O-CB 3.11Å; G415-A419 PolarHBondContact O-N 3.33Å; A419-L421 PolarHBondContact O-N 2.94Å; A419-R423 WeakPolarHBondContact O-CB 3.26Å; A419-R423 PolarHBondContact O-N 3.17Å
420	F	87.8	Confident	91.5	Very high	122 Å²	122	31 Å²	31	54%	0.535	16%	0.155	S	C	.	.	H	α-helix	trans	-59.6	-44.8	175.4	175.4	-99.8	0	0	0	112.4	P416 L418 G424	P416-F420 PolarHBondContact O-N 2.74Å; L418-F420 VanDerWaalsContact C-N 3.33Å; L418-F420 PolarHBondContact O-N 3.43Å; F420-G424 PolarHBondContact O-N 3.2Å
421	L	89.6	Confident	91.3	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-69.5	-48.3	-179.2	-178.2	61.5	0	0	0	111.8	L417 L418 A419 R423 G424 L425 L462 S465 W471	L417-L421 PolarHBondContact O-N 3.03Å; L418-L421 PolarHBondContact O-N 3.28Å; A419-L421 PolarHBondContact O-N 2.94Å; L421-R423 VanDerWaalsContact C-N 3.34Å; L421-R423 PolarHBondContact O-N 3.48Å; L421-G424 PolarHBondContact O-N 3.46Å; L421-G424 VanDerWaalsContact O-N 3.17Å; L421-L425 HydrophobicContact CD1-CD1 4.37Å; L421-L425 HydrophobicContact CG-CD1 4.15Å; L421-L425 WeakPolarHBondContact O-CG 3.41Å; L421-L425 PolarHBondContact O-N 2.9Å; L421-L462 HydrophobicContact CD2-CD2 3.68Å; L421-L462 HydrophobicContact CG-CD2 3.96Å; L421-S465 VanDerWaalsContact CD2-CB 3.47Å; L421-W471 HydrophobicContact CD2-CZ2 4.38Å
422	F	92.4	Very high	91.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-46.1	179.5	-179.3	-98.6	0	0	0	111	F68 I73 I76 V77 L142 I169 L418 G424 L425 F426 I458	F68-F422 HydrophobicContact CE2-CB 4.44Å; F68-F422 HydrophobicContact CZ-CB 4.31Å; I73-F422 HydrophobicContact CG2-CD1 4.29Å; I73-F422 HydrophobicContact CG2-CE1 3.66Å; I73-F422 HydrophobicContact CG2-CZ 3.83Å; I76-F422 HydrophobicContact CD1-CD1 4.31Å; I76-F422 HydrophobicContact CG2-CD1 4.03Å; I76-F422 HydrophobicContact CG2-CE1 4.19Å; V77-F422 HydrophobicContact CG2-CE1 4.31Å; L142-F422 HydrophobicContact CD2-CE2 3.99Å; L142-F422 HydrophobicContact CD2-CZ 4.12Å; I169-F422 HydrophobicContact CD1-CE2 4.49Å; L418-F422 VanDerWaalsContact O-CB 3.28Å; L418-F422 WeakPolarHBondContact O-CB 3.39Å; L418-F422 PolarHBondContact O-N 3.06Å; F422-G424 VanDerWaalsContact C-N 3.32Å; F422-G424 PolarHBondContact O-N 3.23Å; F422-L425 PolarHBondContact O-N 3.42Å; F422-L425 VanDerWaalsContact O-N 3.15Å; F422-F426 HydrophobicContact CE1-CB 4.22Å; F422-F426 HydrophobicContact CE1-CD2 4.44Å; F422-F426 HydrophobicContact CE1-CG 4.38Å; F422-F426 HydrophobicContact CZ-CB 4.5Å; F422-F426 HydrophobicContact CZ-CD2 4.22Å; F422-F426 VanDerWaalsContact O-CB 3.31Å; F422-F426 WeakPolarHBondContact O-CB 3.46Å; F422-F426 PolarHBondContact O-N 3.46Å; F422-I458 HydrophobicContact CD2-CG2 4.36Å; F422-I458 HydrophobicContact CE2-CD1 4.18Å; F422-I458 HydrophobicContact CE2-CG2 4.11Å
423	R	88.7	Confident	91.2	Very high	56 Å²	56	38 Å²	38	21%	0.211	19%	0.185	C	C	.	.	H	α-helix	trans	-55	-45.3	175.2	-179.9	-170.8	-67.6	140.7	2.4	112.7	I76 S245 A419 L421 R427	I76-R423 HydrophobicContact CD1-CB 4.34Å; I76-R423 HydrophobicContact CG2-CB 4.06Å; I76-R423 HydrophobicContact CG2-CG 4.3Å; S245-R423 VanDerWaalsContact O-CZ 3.3Å; S245-R423 PolarHBondContact O-NH2 3.44Å; A419-R423 WeakPolarHBondContact O-CB 3.26Å; A419-R423 PolarHBondContact O-N 3.17Å; L421-R423 VanDerWaalsContact C-N 3.34Å; L421-R423 PolarHBondContact O-N 3.48Å; R423-R427 WeakPolarHBondContact O-CB 3.24Å; R423-R427 PolarHBondContact O-N 3.06Å
424	G	88.3	Confident	91	Very high	46 Å²	46	44.6 Å²	44.6	47%	0.474	21%	0.21	S	C	.	.	H	α-helix	trans	-63	-42.3	177.7	0	0	0	0	0	112.8	F420 L421 F422 N428	F420-G424 PolarHBondContact O-N 3.2Å; L421-G424 PolarHBondContact O-N 3.46Å; L421-G424 VanDerWaalsContact O-N 3.17Å; F422-G424 VanDerWaalsContact C-N 3.32Å; F422-G424 PolarHBondContact O-N 3.23Å; G424-N428 PolarHBondContact O-N 3.39Å
425	L	91.7	Very high	90.9	Very high	27 Å²	27	48.5 Å²	48.5	14%	0.141	23%	0.23	C	C	.	.	H	α-helix	trans	-70.2	-41.5	177.9	-64.9	174	0	0	0	112.1	L421 F422 N428 L429 I458 L462	L421-L425 HydrophobicContact CD1-CD1 4.37Å; L421-L425 HydrophobicContact CG-CD1 4.15Å; L421-L425 WeakPolarHBondContact O-CG 3.41Å; L421-L425 PolarHBondContact O-N 2.9Å; F422-L425 PolarHBondContact O-N 3.42Å; F422-L425 VanDerWaalsContact O-N 3.15Å; L425-N428 WeakPolarHBondContact O-CB 3.39Å; L425-N428 PolarHBondContact O-N 2.94Å; L425-L429 PolarHBondContact O-N 3.16Å; L425-I458 HydrophobicContact CB-CG1 4.46Å; L425-L462 HydrophobicContact CD1-CD2 4.06Å; L425-L462 HydrophobicContact CD1-CG 3.87Å
426	F	92.3	Very high	90.9	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.018	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-45.2	178.2	-170.1	-106.3	0	0	0	111	V77 F106 F422 N428 L429 T430 I458	V77-F426 HydrophobicContact CB-CE1 4.49Å; V77-F426 HydrophobicContact CB-CZ 4.39Å; V77-F426 HydrophobicContact CG1-CE1 4.5Å; V77-F426 HydrophobicContact CG1-CZ 4.08Å; V77-F426 HydrophobicContact CG2-CE1 4.09Å; V77-F426 HydrophobicContact CG2-CE2 4.09Å; V77-F426 HydrophobicContact CG2-CZ 3.85Å; F106-F426 HydrophobicContact CD1-CZ 4.35Å; F106-F426 HydrophobicContact CD2-CZ 4.05Å; F106-F426 HydrophobicContact CE2-CZ 4.34Å; F106-F426 HydrophobicContact CG-CZ 4.07Å; F422-F426 HydrophobicContact CE1-CB 4.22Å; F422-F426 HydrophobicContact CE1-CD2 4.44Å; F422-F426 HydrophobicContact CE1-CG 4.38Å; F422-F426 HydrophobicContact CZ-CB 4.5Å; F422-F426 HydrophobicContact CZ-CD2 4.22Å; F422-F426 VanDerWaalsContact O-CB 3.31Å; F422-F426 WeakPolarHBondContact O-CB 3.46Å; F422-F426 PolarHBondContact O-N 3.46Å; F426-N428 PolarHBondContact O-N 3.44Å; F426-L429 HydrophobicContact CD2-CD2 4.33Å; F426-L429 HydrophobicContact CE2-CD2 4.44Å; F426-L429 CarbonylContact O-C 3.58Å; F426-L429 WeakPolarHBondContact O-CA 3.29Å; F426-L429 VanDerWaalsContact O-CB 3.31Å; F426-L429 WeakPolarHBondContact O-CB 3.44Å; F426-L429 PolarHBondContact O-N 2.98Å; F426-T430 PolarHBondContact O-N 2.96Å; F426-T430 PolarHBondContact O-OG1 3.05Å; F426-I458 HydrophobicContact CD2-CD1 4.27Å
427	R	89.8	Confident	90.9	Very high	199 Å²	199	48.8 Å²	48.8	75%	0.751	23%	0.226	S	C	*	.	H	α-helix	trans	-58.3	-36.9	173.1	-175.6	178.9	178.1	178.1	2.3	112.6	R423 K431	R423-R427 WeakPolarHBondContact O-CB 3.24Å; R423-R427 PolarHBondContact O-N 3.06Å; R427-K431 PolarHBondContact O-N 2.84Å; R427-K431 VanDerWaalsContact O-N 3.1Å
428	N	90.7	Very high	90.8	Very high	70 Å²	70	49.9 Å²	49.9	37%	0.374	23%	0.231	S	C	.	.	H	α-helix	trans	-68.2	-40.3	175.1	-167.7	30.4	0	0	0	111.5	G424 L425 F426 K431 E432 I457	G424-N428 PolarHBondContact O-N 3.39Å; L425-N428 WeakPolarHBondContact O-CB 3.39Å; L425-N428 PolarHBondContact O-N 2.94Å; F426-N428 PolarHBondContact O-N 3.44Å; N428-K431 WeakPolarHBondContact O-CB 3.35Å; N428-K431 PolarHBondContact O-N 3.18Å; N428-E432 PolarHBondContact O-N 2.82Å; N428-I457 HydrophobicContact CB-CG2 4.41Å
429	L	92.5	Very high	90.6	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-49.2	172.8	179.1	67.6	0	0	0	111.4	L425 F426 K431 E432 I433 I453 I457 I458	L425-L429 PolarHBondContact O-N 3.16Å; F426-L429 HydrophobicContact CD2-CD2 4.33Å; F426-L429 HydrophobicContact CE2-CD2 4.44Å; F426-L429 CarbonylContact O-C 3.58Å; F426-L429 WeakPolarHBondContact O-CA 3.29Å; F426-L429 VanDerWaalsContact O-CB 3.31Å; F426-L429 WeakPolarHBondContact O-CB 3.44Å; F426-L429 PolarHBondContact O-N 2.98Å; L429-K431 PolarHBondContact O-N 3.3Å; L429-E432 PolarHBondContact O-N 2.95Å; L429-E432 VanDerWaalsContact O-N 3.11Å; L429-I433 HydrophobicContact CD1-CD1 4.35Å; L429-I433 HydrophobicContact CG-CD1 4Å; L429-I433 WeakPolarHBondContact O-CG1 3.45Å; L429-I433 PolarHBondContact O-N 3.29Å; L429-I453 HydrophobicContact CD1-CG2 4.4Å; L429-I457 HydrophobicContact CD1-CD1 4.3Å; L429-I458 HydrophobicContact CD2-CD1 3.7Å; L429-I458 HydrophobicContact CD2-CG1 4.39Å
430	T	91.8	Very high	90.4	Very high	19 Å²	19	58.9 Å²	58.9	12%	0.117	27%	0.269	C	S	.	.	H	α-helix	trans	-54.6	-41.4	175.4	-47.4	0	0	0	0	111.4	I83 F426 R434	I83-T430 HydrophobicContact CD1-CG2 3.46Å; I83-T430 VanDerWaalsContact CD1-CG2 3.46Å; I83-T430 HydrophobicContact CG1-CG2 3.55Å; F426-T430 PolarHBondContact O-N 2.96Å; F426-T430 PolarHBondContact O-OG1 3.05Å; T430-R434 WeakPolarHBondContact O-CB 3.32Å; T430-R434 PolarHBondContact O-N 3.49Å
431	K	91.6	Very high	90.3	Very high	127 Å²	127	53.4 Å²	53.4	55%	0.552	25%	0.245	S	C	*	.	H	α-helix	trans	-66	-41.8	177.4	-174	-174.5	175.6	-171.5	0	112.6	R427 N428 L429 R434 L435	R427-K431 PolarHBondContact O-N 2.84Å; R427-K431 VanDerWaalsContact O-N 3.1Å; N428-K431 WeakPolarHBondContact O-CB 3.35Å; N428-K431 PolarHBondContact O-N 3.18Å; L429-K431 PolarHBondContact O-N 3.3Å; K431-R434 WeakPolarHBondContact O-CB 3.4Å; K431-R434 PolarHBondContact O-N 3.16Å; K431-L435 HydrophobicContact CG-CD1 4.5Å; K431-L435 WeakPolarHBondContact O-CG 3.43Å; K431-L435 PolarHBondContact O-N 2.89Å
432	E	91.9	Very high	90	Very high	47 Å²	47	55.2 Å²	55.2	22%	0.22	26%	0.255	C	S	.	.	H	α-helix	trans	-68.1	-39.2	177.2	-72.4	-67.5	131.4	0	0	111.9	N428 L429 R434 L435 Y436 R454 I457	N428-E432 PolarHBondContact O-N 2.82Å; L429-E432 PolarHBondContact O-N 2.95Å; L429-E432 VanDerWaalsContact O-N 3.11Å; E432-R434 VanDerWaalsContact C-N 3.32Å; E432-R434 PolarHBondContact O-N 3.21Å; E432-L435 PolarHBondContact O-N 3Å; E432-Y436 WeakPolarHBondContact O-CB 3.38Å; E432-Y436 PolarHBondContact O-N 3.1Å; E432-R454 IonicContact OE2-CZ 2.78Å; E432-R454 IonicContact OE2-NH1 2.84Å; E432-R454 PolarHBondContact OE2-NH1 3.14Å; E432-R454 IonicContact OE2-NH2 3.26Å; E432-I457 HydrophobicContact CB-CD1 4.24Å; E432-I457 HydrophobicContact CG-CD1 3.83Å
433	I	92.1	Very high	89.5	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-58.3	-46.8	172.6	-68.4	168.7	0	0	0	109.9	I83 L104 F106 L429 L435 Y436 A437 L449 A452 I453	I83-I433 HydrophobicContact CD1-CB 4.4Å; I83-I433 HydrophobicContact CD1-CG2 4.02Å; L104-I433 HydrophobicContact CD1-CG2 3.94Å; F106-I433 HydrophobicContact CZ-CD1 3.94Å; L429-I433 HydrophobicContact CD1-CD1 4.35Å; L429-I433 HydrophobicContact CG-CD1 4Å; L429-I433 WeakPolarHBondContact O-CG1 3.45Å; L429-I433 PolarHBondContact O-N 3.29Å; I433-L435 PolarHBondContact O-N 3.19Å; I433-Y436 PolarHBondContact O-N 3.17Å; I433-A437 WeakPolarHBondContact O-CB 3.3Å; I433-A437 PolarHBondContact O-N 3.35Å; I433-L449 HydrophobicContact CG2-CD1 4.4Å; I433-A452 HydrophobicContact CG1-CB 4.46Å; I433-A452 HydrophobicContact CG2-CB 4.43Å; I433-I453 HydrophobicContact CD1-CG1 3.98Å; I433-I453 HydrophobicContact CG1-CG1 4.48Å
434	R	91.3	Very high	88.9	Confident	145 Å²	145	63.4 Å²	63.4	55%	0.547	31%	0.313	S	S	.	.	H	α-helix	trans	-56.6	-48.7	176.2	-170.4	-171.7	173.1	165.4	-0.9	111.8	I83 L85 T430 K431 E432 Q438	I83-R434 HydrophobicContact CG2-CB 4.13Å; I83-R434 HydrophobicContact CG2-CG 4.11Å; L85-R434 HydrophobicContact CD2-CG 3.56Å; T430-R434 WeakPolarHBondContact O-CB 3.32Å; T430-R434 PolarHBondContact O-N 3.49Å; K431-R434 WeakPolarHBondContact O-CB 3.4Å; K431-R434 PolarHBondContact O-N 3.16Å; E432-R434 VanDerWaalsContact C-N 3.32Å; E432-R434 PolarHBondContact O-N 3.21Å; R434-Q438 WeakPolarHBondContact O-CB 3.35Å; R434-Q438 PolarHBondContact O-N 2.94Å
435	L	90.8	Very high	88.6	Confident	82 Å²	82	67.5 Å²	67.5	43%	0.429	32%	0.318	S	S	.	.	H	α-helix	trans	-65.5	-38.3	179.8	-72.5	170.7	0	0	0	112.9	K431 E432 I433 K439	K431-L435 HydrophobicContact CG-CD1 4.5Å; K431-L435 WeakPolarHBondContact O-CG 3.43Å; K431-L435 PolarHBondContact O-N 2.89Å; E432-L435 PolarHBondContact O-N 3Å; I433-L435 PolarHBondContact O-N 3.19Å; L435-K439 WeakPolarHBondContact O-CG 3.31Å; L435-K439 PolarHBondContact O-N 3.31Å
436	Y	92	Very high	87.9	Confident	49 Å²	49	70.6 Å²	70.6	19%	0.192	33%	0.334	C	S	.	.	H	α-helix	trans	-66.4	-50.5	176.9	-179.6	-90.9	0	0	0	110.9	E432 I433 Q438 K439 F440 F447 L451 A452	E432-Y436 WeakPolarHBondContact O-CB 3.38Å; E432-Y436 PolarHBondContact O-N 3.1Å; I433-Y436 PolarHBondContact O-N 3.17Å; Y436-Q438 PolarHBondContact O-N 3.37Å; Y436-K439 PolarHBondContact O-N 3.08Å; Y436-F440 HydrophobicContact CD1-CD2 4.27Å; Y436-F440 HydrophobicContact CD1-CE2 4.39Å; Y436-F440 HydrophobicContact CD2-CE2 4.25Å; Y436-F440 AromaticContact CE1-CD2 3.93Å; Y436-F440 HydrophobicContact CE1-CD2 3.93Å; Y436-F440 AromaticContact CE1-CE2 3.77Å; Y436-F440 HydrophobicContact CE1-CE2 3.77Å; Y436-F440 HydrophobicContact CE2-CD2 4.36Å; Y436-F440 AromaticContact CE2-CE2 3.6Å; Y436-F440 HydrophobicContact CE2-CE2 3.6Å; Y436-F440 HydrophobicContact CE2-CZ 4.42Å; Y436-F440 AromaticContact CZ-CD2 3.97Å; Y436-F440 AromaticContact CZ-CE2 3.32Å; Y436-F440 AromaticContact CZ-CZ 3.98Å; Y436-F440 WeakPolarHBondContact O-CD2 3.38Å; Y436-F440 WeakPolarHBondContact OH-CE2 3.4Å; Y436-F447 HydrophobicContact CE1-CB 4.28Å; Y436-L451 WeakPolarHBondContact OH-CB 3.34Å; Y436-A452 HydrophobicContact CD1-CB 3.36Å; Y436-A452 HydrophobicContact CE1-CB 3.84Å; Y436-A452 HydrophobicContact CG-CB 3.99Å
437	A	90	Very high	87.6	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-43.2	-179.1	0	0	0	0	0	111.9	L85 I433 K439 F440 I441 F447	L85-A437 HydrophobicContact CD1-CB 3.32Å; I433-A437 WeakPolarHBondContact O-CB 3.3Å; I433-A437 PolarHBondContact O-N 3.35Å; A437-K439 VanDerWaalsContact C-N 3.32Å; A437-K439 PolarHBondContact O-N 3.1Å; A437-F440 PolarHBondContact O-N 2.98Å; A437-F440 VanDerWaalsContact O-N 3.09Å; A437-I441 HydrophobicContact CB-CD1 4.43Å; A437-I441 VanDerWaalsContact O-CG1 3.26Å; A437-I441 WeakPolarHBondContact O-CG1 3.09Å; A437-I441 PolarHBondContact O-N 3.07Å; A437-F447 HydrophobicContact CB-CD1 3.97Å; A437-F447 HydrophobicContact CB-CD2 3.99Å; A437-F447 HydrophobicContact CB-CE1 3.98Å; A437-F447 HydrophobicContact CB-CE2 4Å; A437-F447 HydrophobicContact CB-CG 3.98Å; A437-F447 HydrophobicContact CB-CZ 3.99Å
438	Q	88	Confident	87.4	Confident	33 Å²	33	65 Å²	65	15%	0.154	32%	0.319	C	S	.	.	H	α-helix	trans	-54.5	-45.8	176.3	-168.7	69.2	51.5	0	0	112.1	L85 Q86 R434 Y436 F440 I441 D442	L85-Q438 HydrophobicContact CD2-CB 4.39Å; Q86-Q438 PolarHBondContact O-NE2 2.68Å; R434-Q438 WeakPolarHBondContact O-CB 3.35Å; R434-Q438 PolarHBondContact O-N 2.94Å; Y436-Q438 PolarHBondContact O-N 3.37Å; Q438-F440 PolarHBondContact O-N 2.89Å; Q438-F440 VanDerWaalsContact O-N 3.16Å; Q438-I441 PolarHBondContact O-N 3.34Å; Q438-D442 PolarHBondContact NE2-OD1 3.21Å; Q438-D442 WeakPolarHBondContact O-CB 3.42Å; Q438-D442 PolarHBondContact O-N 3.47Å
439	K	87.9	Confident	87.2	Confident	136 Å²	136	62 Å²	62	59%	0.591	30%	0.303	S	S	*	.	H	α-helix	trans	-60.3	-27.3	179.6	-74	175.1	-179.8	-179.4	0	114.6	L435 Y436 A437 K443	L435-K439 WeakPolarHBondContact O-CG 3.31Å; L435-K439 PolarHBondContact O-N 3.31Å; Y436-K439 PolarHBondContact O-N 3.08Å; A437-K439 VanDerWaalsContact C-N 3.32Å; A437-K439 PolarHBondContact O-N 3.1Å; K439-K443 WeakPolarHBondContact O-CG 3.36Å
440	F	87.7	Confident	87	Confident	64 Å²	64	67.2 Å²	67.2	28%	0.281	33%	0.327	S	S	.	.	H	α-helix	trans	-88.6	-40.5	177.8	-84.1	-93.1	0	0	0	111.4	Y436 A437 Q438 D442 K443 G444 K445 F447	Y436-F440 HydrophobicContact CD1-CD2 4.27Å; Y436-F440 HydrophobicContact CD1-CE2 4.39Å; Y436-F440 HydrophobicContact CD2-CE2 4.25Å; Y436-F440 AromaticContact CE1-CD2 3.93Å; Y436-F440 HydrophobicContact CE1-CD2 3.93Å; Y436-F440 AromaticContact CE1-CE2 3.77Å; Y436-F440 HydrophobicContact CE1-CE2 3.77Å; Y436-F440 HydrophobicContact CE2-CD2 4.36Å; Y436-F440 AromaticContact CE2-CE2 3.6Å; Y436-F440 HydrophobicContact CE2-CE2 3.6Å; Y436-F440 HydrophobicContact CE2-CZ 4.42Å; Y436-F440 AromaticContact CZ-CD2 3.97Å; Y436-F440 AromaticContact CZ-CE2 3.32Å; Y436-F440 AromaticContact CZ-CZ 3.98Å; Y436-F440 WeakPolarHBondContact O-CD2 3.38Å; Y436-F440 WeakPolarHBondContact OH-CE2 3.4Å; A437-F440 PolarHBondContact O-N 2.98Å; A437-F440 VanDerWaalsContact O-N 3.09Å; Q438-F440 PolarHBondContact O-N 2.89Å; Q438-F440 VanDerWaalsContact O-N 3.16Å; F440-D442 VanDerWaalsContact C-N 3.32Å; F440-D442 PolarHBondContact O-N 3.27Å; F440-K443 CarbonylContact O-C 3.54Å; F440-K443 WeakPolarHBondContact O-CA 3.5Å; F440-K443 WeakPolarHBondContact O-CB 3.47Å; F440-K443 PolarHBondContact O-N 2.88Å; F440-G444 PolarHBondContact O-N 3.47Å; F440-K445 CarbonylContact C-O 3.56Å; F440-K445 HydrophobicContact CD1-CB 4.25Å; F440-K445 PolarHBondContact O-N 3Å; F440-F447 HydrophobicContact CB-CB 3.88Å; F440-F447 HydrophobicContact CD2-CB 4.49Å; F440-F447 HydrophobicContact CG-CB 4.17Å
441	I	85.9	Confident	86.8	Confident	8 Å²	8	71.8 Å²	71.8	4%	0.041	35%	0.351	C	S	.	.	H	α-helix	trans	-59.8	-43.4	175	-65.2	168	0	0	0	110.1	L85 A87 Y102 A437 Q438 K443 G444 F447	L85-I441 HydrophobicContact CB-CD1 3.62Å; L85-I441 HydrophobicContact CD1-CD1 3.83Å; L85-I441 HydrophobicContact CG-CD1 4.32Å; A87-I441 HydrophobicContact CB-CG2 3.77Å; Y102-I441 HydrophobicContact CD2-CD1 3.58Å; Y102-I441 HydrophobicContact CD2-CG1 3.95Å; Y102-I441 HydrophobicContact CD2-CG2 4.48Å; Y102-I441 HydrophobicContact CE2-CD1 4.07Å; Y102-I441 HydrophobicContact CE2-CG1 3.88Å; Y102-I441 HydrophobicContact CE2-CG2 4.27Å; Y102-I441 HydrophobicContact CG-CD1 4.05Å; A437-I441 HydrophobicContact CB-CD1 4.43Å; A437-I441 VanDerWaalsContact O-CG1 3.26Å; A437-I441 WeakPolarHBondContact O-CG1 3.09Å; A437-I441 PolarHBondContact O-N 3.07Å; Q438-I441 PolarHBondContact O-N 3.34Å; I441-K443 PolarHBondContact O-N 3.49Å; I441-K443 VanDerWaalsContact O-N 3.15Å; I441-G444 PolarHBondContact O-N 3.05Å; I441-F447 HydrophobicContact CD1-CD1 4.37Å; I441-F447 HydrophobicContact CD1-CE1 4.14Å; I441-F447 HydrophobicContact CG1-CD1 4.2Å; I441-F447 HydrophobicContact CG1-CE1 4.41Å
442	D	83	Confident	86.8	Confident	46 Å²	46	65.9 Å²	65.9	25%	0.246	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.6	176.3	-63.6	-22	0	0	0	113.3	E88 Q438 F440	E88-D442 PolarHBondContact N-OD1 3Å; Q438-D442 PolarHBondContact NE2-OD1 3.21Å; Q438-D442 WeakPolarHBondContact O-CB 3.42Å; Q438-D442 PolarHBondContact O-N 3.47Å; F440-D442 VanDerWaalsContact C-N 3.32Å; F440-D442 PolarHBondContact O-N 3.27Å
443	K	82.4	Confident	86.8	Confident	154 Å²	154	64.3 Å²	64.3	67%	0.67	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	3.5	173.7	-67.1	178.4	-177.5	-177.7	0	112.8	K439 F440 I441 K445	K439-K443 WeakPolarHBondContact O-CG 3.36Å; F440-K443 CarbonylContact O-C 3.54Å; F440-K443 WeakPolarHBondContact O-CA 3.5Å; F440-K443 WeakPolarHBondContact O-CB 3.47Å; F440-K443 PolarHBondContact O-N 2.88Å; I441-K443 PolarHBondContact O-N 3.49Å; I441-K443 VanDerWaalsContact O-N 3.15Å; K443-K445 PolarHBondContact O-N 3.19Å
444	G	75.1	Confident	86.8	Confident	74 Å²	74	70.5 Å²	70.5	76%	0.763	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	21.6	-175.5	0	0	0	0	0	114.2	F440 I441	F440-G444 PolarHBondContact O-N 3.47Å; I441-G444 PolarHBondContact O-N 3.05Å
445	K	81.8	Confident	86.9	Confident	132 Å²	132	65.3 Å²	65.3	57%	0.574	33%	0.327	S	S	*	.			trans	-109.1	146.3	-179.3	-66.8	-174	179	-173	0	111	F440 K443	F440-K445 CarbonylContact C-O 3.56Å; F440-K445 HydrophobicContact CD1-CB 4.25Å; F440-K445 PolarHBondContact O-N 3Å; K443-K445 PolarHBondContact O-N 3.19Å
446	D	78.2	Confident	87	Confident	92 Å²	92	68 Å²	68	49%	0.492	34%	0.338	S	S	.	.			trans	-68.5	149.3	168.5	-164.7	22.2	0	0	0	110.4	K148	K148-D446 IonicContact NZ-OD1 2.75Å; K148-D446 PolarHBondContact NZ-OD1 3.03Å; K148-D446 IonicContact NZ-OD2 3.98Å; K148-D446 PolarHBondContact NZ-OD2 2.96Å
447	F	85.1	Confident	87	Confident	5 Å²	5	67.2 Å²	67.2	2%	0.022	34%	0.337	C	S	.	.			trans	-108.3	138.8	-179.7	65.4	-88.8	0	0	0	110.9	Y102 L104 Y436 A437 F440 I441 L449	Y102-F447 AromaticContact CD1-CE1 3.77Å; Y102-F447 HydrophobicContact CD1-CE1 3.77Å; Y102-F447 HydrophobicContact CD1-CZ 4.45Å; Y102-F447 HydrophobicContact CE1-CE1 4.17Å; Y102-F447 HydrophobicContact CG-CE1 4.15Å; L104-F447 HydrophobicContact CD1-CE2 4.21Å; L104-F447 HydrophobicContact CD1-CZ 4.17Å; L104-F447 HydrophobicContact CD2-CZ 4.3Å; Y436-F447 HydrophobicContact CE1-CB 4.28Å; A437-F447 HydrophobicContact CB-CD1 3.97Å; A437-F447 HydrophobicContact CB-CD2 3.99Å; A437-F447 HydrophobicContact CB-CE1 3.98Å; A437-F447 HydrophobicContact CB-CE2 4Å; A437-F447 HydrophobicContact CB-CG 3.98Å; A437-F447 HydrophobicContact CB-CZ 3.99Å; F440-F447 HydrophobicContact CB-CB 3.88Å; F440-F447 HydrophobicContact CD2-CB 4.49Å; F440-F447 HydrophobicContact CG-CB 4.17Å; I441-F447 HydrophobicContact CD1-CD1 4.37Å; I441-F447 HydrophobicContact CD1-CE1 4.14Å; I441-F447 HydrophobicContact CG1-CD1 4.2Å; I441-F447 HydrophobicContact CG1-CE1 4.41Å; F447-L449 HydrophobicContact CE2-CD1 4.47Å
448	N	86.5	Confident	87.2	Confident	79 Å²	79	67.2 Å²	67.2	42%	0.422	34%	0.337	S	S	.	.			trans	-81.5	118.5	170.2	-173.8	-17.2	0	0	0	109.6	E450 L451 A452	N448-E450 VanDerWaalsContact C-N 3.32Å; N448-E450 PolarHBondContact O-N 3.3Å; N448-E450 WeakPolarHBondContact OD1-CB 3.44Å; N448-E450 PolarHBondContact OD1-N 3.02Å; N448-L451 HydrophobicContact CB-CB 4.42Å; N448-L451 HydrophobicContact CB-CD1 4.12Å; N448-L451 HydrophobicContact CB-CG 4.21Å; N448-L451 PolarHBondContact O-N 3.06Å; N448-A452 PolarHBondContact O-N 2.83Å
449	L	86	Confident	87.5	Confident	7 Å²	7	67.2 Å²	67.2	4%	0.037	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-34.9	179.6	-175.8	68.6	0	0	0	112.5	L104 V146 L161 I433 F447 L451 A452 I453	L104-L449 HydrophobicContact CD1-CD1 4.2Å; V146-L449 HydrophobicContact CB-CD2 3.84Å; V146-L449 HydrophobicContact CG1-CD2 3.73Å; V146-L449 HydrophobicContact CG2-CD2 4.04Å; L161-L449 HydrophobicContact CD1-CB 4.32Å; L161-L449 HydrophobicContact CD1-CD2 3.5Å; L161-L449 VanDerWaalsContact CD1-CD2 3.5Å; I433-L449 HydrophobicContact CG2-CD1 4.4Å; F447-L449 HydrophobicContact CE2-CD1 4.47Å; L449-L451 VanDerWaalsContact C-N 3.32Å; L449-L451 PolarHBondContact O-N 2.96Å; L449-A452 WeakPolarHBondContact O-CA 3.38Å; L449-A452 VanDerWaalsContact O-CB 3.31Å; L449-A452 WeakPolarHBondContact O-CB 3.32Å; L449-A452 PolarHBondContact O-N 2.95Å; L449-I453 HydrophobicContact CD1-CD1 4.5Å; L449-I453 HydrophobicContact CD2-CD1 4.41Å; L449-I453 HydrophobicContact CG-CD1 4Å; L449-I453 HydrophobicContact CG-CG1 4.41Å; L449-I453 WeakPolarHBondContact O-CG1 3.46Å; L449-I453 PolarHBondContact O-N 3.4Å
450	E	87.5	Confident	87.8	Confident	111 Å²	111	64.3 Å²	64.3	52%	0.519	33%	0.33	S	S	.	.	H	α-helix	trans	-65.1	-37.8	-178.9	-65.5	179.7	176.7	0	0	111.9	K164 N448 A452	K164-E450 HydrophobicContact CD-CG 4.25Å; K164-E450 IonicContact NZ-OE1 3.38Å; K164-E450 PolarHBondContact NZ-OE1 2.9Å; N448-E450 VanDerWaalsContact C-N 3.32Å; N448-E450 PolarHBondContact O-N 3.3Å; N448-E450 WeakPolarHBondContact OD1-CB 3.44Å; N448-E450 PolarHBondContact OD1-N 3.02Å; E450-A452 VanDerWaalsContact C-N 3.3Å
451	L	88.8	Confident	88	Confident	116 Å²	116	61.6 Å²	61.6	61%	0.607	32%	0.32	S	S	*	.	H	α-helix	trans	-73.4	-24.1	174.1	-62.3	179.3	0	0	0	112.4	Y436 N448 L449	Y436-L451 WeakPolarHBondContact OH-CB 3.34Å; N448-L451 HydrophobicContact CB-CB 4.42Å; N448-L451 HydrophobicContact CB-CD1 4.12Å; N448-L451 HydrophobicContact CB-CG 4.21Å; N448-L451 PolarHBondContact O-N 3.06Å; L449-L451 VanDerWaalsContact C-N 3.32Å; L449-L451 PolarHBondContact O-N 2.96Å
452	A	90.1	Very high	88.4	Confident	2 Å²	2	61.4 Å²	61.4	2%	0.017	32%	0.319	C	S	.	.	H	α-helix	trans	-74.7	-34	176.7	0	0	0	0	0	112	I433 Y436 N448 L449 E450 R454	I433-A452 HydrophobicContact CG1-CB 4.46Å; I433-A452 HydrophobicContact CG2-CB 4.43Å; Y436-A452 HydrophobicContact CD1-CB 3.36Å; Y436-A452 HydrophobicContact CE1-CB 3.84Å; Y436-A452 HydrophobicContact CG-CB 3.99Å; N448-A452 PolarHBondContact O-N 2.83Å; L449-A452 WeakPolarHBondContact O-CA 3.38Å; L449-A452 VanDerWaalsContact O-CB 3.31Å; L449-A452 WeakPolarHBondContact O-CB 3.32Å; L449-A452 PolarHBondContact O-N 2.95Å; E450-A452 VanDerWaalsContact C-N 3.3Å; A452-R454 PolarHBondContact O-N 2.87Å; A452-R454 VanDerWaalsContact O-N 3.16Å
453	I	91.9	Very high	88.9	Confident	14 Å²	14	62 Å²	62	7%	0.072	32%	0.319	C	S	.	.			trans	-77	101.3	-179	-63.7	167.3	0	0	0	109.8	K164 F165 I166 L429 I433 L449 S455	K164-I453 HydrophobicContact CB-CD1 4.07Å; F165-I453 WeakPolarHBondContact O-CG2 3.44Å; I166-I453 HydrophobicContact CB-CG2 4.42Å; I166-I453 HydrophobicContact CG2-CD1 4.49Å; I166-I453 HydrophobicContact CG2-CG2 4.03Å; L429-I453 HydrophobicContact CD1-CG2 4.4Å; I433-I453 HydrophobicContact CD1-CG1 3.98Å; I433-I453 HydrophobicContact CG1-CG1 4.48Å; L449-I453 HydrophobicContact CD1-CD1 4.5Å; L449-I453 HydrophobicContact CD2-CD1 4.41Å; L449-I453 HydrophobicContact CG-CD1 4Å; L449-I453 HydrophobicContact CG-CG1 4.41Å; L449-I453 WeakPolarHBondContact O-CG1 3.46Å; L449-I453 PolarHBondContact O-N 3.4Å; I453-S455 PolarHBondContact O-N 2.85Å; I453-S455 VanDerWaalsContact O-N 3.15Å
454	R	92.5	Very high	89.4	Confident	132 Å²	132	58.2 Å²	58.2	50%	0.498	30%	0.302	S	S	.	.			trans	-83.3	86.9	173.3	-67.8	-173.7	178.5	164.6	5.7	111.4	E432 A452 Q456 I457	E432-R454 IonicContact OE2-CZ 2.78Å; E432-R454 IonicContact OE2-NH1 2.84Å; E432-R454 PolarHBondContact OE2-NH1 3.14Å; E432-R454 IonicContact OE2-NH2 3.26Å; A452-R454 PolarHBondContact O-N 2.87Å; A452-R454 VanDerWaalsContact O-N 3.16Å; R454-Q456 PolarHBondContact O-N 2.88Å; R454-Q456 VanDerWaalsContact O-N 3.09Å; R454-I457 HydrophobicContact CB-CD1 3.82Å; R454-I457 HydrophobicContact CB-CG1 4.06Å; R454-I457 PolarHBondContact O-N 3.05Å; R454-I457 VanDerWaalsContact O-N 3.1Å
455	S	92.6	Very high	90.2	Very high	35 Å²	35	54.9 Å²	54.9	25%	0.245	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.1	-177.8	60.8	0	0	0	0	115.5	I166 I453 I457 T459	I166-S455 VanDerWaalsContact O-CA 3.32Å; I166-S455 WeakPolarHBondContact O-CA 3.46Å; I453-S455 PolarHBondContact O-N 2.85Å; I453-S455 VanDerWaalsContact O-N 3.15Å; S455-I457 VanDerWaalsContact C-N 3.29Å; S455-I457 PolarHBondContact O-N 3.36Å; S455-T459 WeakPolarHBondContact O-CB 3.44Å; S455-T459 PolarHBondContact O-N 3.29Å; S455-T459 PolarHBondContact O-OG1 3.05Å
456	Q	93	Very high	90.7	Very high	139 Å²	139	48.6 Å²	48.6	65%	0.65	24%	0.239	S	C	*	.	H	α-helix	trans	-62.8	-31.7	175.5	-70.5	175.7	-10	0	0	112.9	R454 I458 T459 D460	R454-Q456 PolarHBondContact O-N 2.88Å; R454-Q456 VanDerWaalsContact O-N 3.09Å; Q456-I458 VanDerWaalsContact C-N 3.35Å; Q456-I458 PolarHBondContact O-N 3.32Å; Q456-T459 PolarHBondContact O-N 3.01Å; Q456-D460 VanDerWaalsContact O-CB 3.31Å; Q456-D460 WeakPolarHBondContact O-CB 3.48Å; Q456-D460 PolarHBondContact O-N 3.42Å
457	I	93.5	Very high	91.4	Very high	33 Å²	33	45.5 Å²	45.5	17%	0.169	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-46.2	-176.5	-64	174.8	0	0	0	111	N428 L429 E432 R454 S455 G461	N428-I457 HydrophobicContact CB-CG2 4.41Å; L429-I457 HydrophobicContact CD1-CD1 4.3Å; E432-I457 HydrophobicContact CB-CD1 4.24Å; E432-I457 HydrophobicContact CG-CD1 3.83Å; R454-I457 HydrophobicContact CB-CD1 3.82Å; R454-I457 HydrophobicContact CB-CG1 4.06Å; R454-I457 PolarHBondContact O-N 3.05Å; R454-I457 VanDerWaalsContact O-N 3.1Å; S455-I457 VanDerWaalsContact C-N 3.29Å; S455-I457 PolarHBondContact O-N 3.36Å; I457-G461 WeakPolarHBondContact O-CA 3.49Å; I457-G461 PolarHBondContact O-N 3.5Å
458	I	94	Very high	91.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-75.4	-49.6	179.2	-64.6	179.7	0	0	0	110.1	I166 F422 L425 F426 L429 Q456 G461 L462	I166-I458 HydrophobicContact CB-CD1 4.48Å; I166-I458 HydrophobicContact CD1-CD1 4.48Å; F422-I458 HydrophobicContact CD2-CG2 4.36Å; F422-I458 HydrophobicContact CE2-CD1 4.18Å; F422-I458 HydrophobicContact CE2-CG2 4.11Å; L425-I458 HydrophobicContact CB-CG1 4.46Å; F426-I458 HydrophobicContact CD2-CD1 4.27Å; L429-I458 HydrophobicContact CD2-CD1 3.7Å; L429-I458 HydrophobicContact CD2-CG1 4.39Å; Q456-I458 VanDerWaalsContact C-N 3.35Å; Q456-I458 PolarHBondContact O-N 3.32Å; I458-G461 PolarHBondContact O-N 3.47Å; I458-L462 HydrophobicContact CG2-CD1 3.86Å; I458-L462 WeakPolarHBondContact O-CB 3.37Å; I458-L462 WeakPolarHBondContact O-CG 3.4Å; I458-L462 PolarHBondContact O-N 2.95Å
459	T	94.5	Very high	91.7	Very high	33 Å²	33	44.7 Å²	44.7	20%	0.202	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-53.6	-174	-53.4	0	0	0	0	111.9	G167 K168 S455 Q456 K463	G167-T459 WeakPolarHBondContact CA-OG1 3.28Å; K168-T459 HydrophobicContact CB-CG2 4.05Å; K168-T459 HydrophobicContact CG-CG2 4.42Å; K168-T459 PolarHBondContact N-OG1 2.9Å; S455-T459 WeakPolarHBondContact O-CB 3.44Å; S455-T459 PolarHBondContact O-N 3.29Å; S455-T459 PolarHBondContact O-OG1 3.05Å; Q456-T459 PolarHBondContact O-N 3.01Å; T459-K463 WeakPolarHBondContact O-CB 3.4Å; T459-K463 PolarHBondContact O-N 3.1Å; T459-K463 VanDerWaalsContact O-N 3.09Å
460	D	93	Very high	91.8	Very high	74 Å²	74	46.4 Å²	46.4	40%	0.396	23%	0.234	S	C	.	.	H	α-helix	trans	-76.3	-31.2	-178.1	-64.1	-36.5	0	0	0	111.6	Q456 Y464	Q456-D460 VanDerWaalsContact O-CB 3.31Å; Q456-D460 WeakPolarHBondContact O-CB 3.48Å; Q456-D460 PolarHBondContact O-N 3.42Å; D460-Y464 WeakPolarHBondContact O-CB 3.38Å; D460-Y464 PolarHBondContact O-N 2.96Å
461	G	92.7	Very high	91.7	Very high	8 Å²	8	41.9 Å²	41.9	8%	0.082	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-48.7	175.4	0	0	0	0	0	112.7	I457 I458 S465	I457-G461 WeakPolarHBondContact O-CA 3.49Å; I457-G461 PolarHBondContact O-N 3.5Å; I458-G461 PolarHBondContact O-N 3.47Å; G461-S465 WeakPolarHBondContact O-CB 3.45Å; G461-S465 PolarHBondContact O-N 2.98Å; G461-S465 PolarHBondContact O-OG 3.26Å
462	L	93.9	Very high	91.2	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-67.7	-47.2	176.1	-69.1	170.2	0	0	0	111.2	I169 P170 L418 L421 L425 I458 Y464 S465 L466	I169-L462 HydrophobicContact CG1-CD1 4.15Å; P170-L462 HydrophobicContact CG-CB 4.39Å; L418-L462 HydrophobicContact CD2-CD2 4.42Å; L421-L462 HydrophobicContact CD2-CD2 3.68Å; L421-L462 HydrophobicContact CG-CD2 3.96Å; L425-L462 HydrophobicContact CD1-CD2 4.06Å; L425-L462 HydrophobicContact CD1-CG 3.87Å; I458-L462 HydrophobicContact CG2-CD1 3.86Å; I458-L462 WeakPolarHBondContact O-CB 3.37Å; I458-L462 WeakPolarHBondContact O-CG 3.4Å; I458-L462 PolarHBondContact O-N 2.95Å; L462-Y464 PolarHBondContact O-N 2.98Å; L462-S465 PolarHBondContact O-N 2.97Å; L462-L466 WeakPolarHBondContact O-CB 3.46Å; L462-L466 WeakPolarHBondContact O-CG 3.45Å; L462-L466 PolarHBondContact O-N 3.31Å; L462-L466 VanDerWaalsContact O-N 3.12Å
463	K	93.8	Very high	90.4	Very high	58 Å²	58	41.7 Å²	41.7	25%	0.252	22%	0.216	S	C	.	.	H	α-helix	trans	-55.5	-47.6	178.1	-178.2	-175.5	179.8	-176.2	0	112	I204 N205 T459 A467	I204-K463 HydrophobicContact CG2-CG 3.94Å; N205-K463 WeakPolarHBondContact OD1-CE 3.44Å; N205-K463 PolarHBondContact OD1-NZ 2.66Å; T459-K463 WeakPolarHBondContact O-CB 3.4Å; T459-K463 PolarHBondContact O-N 3.1Å; T459-K463 VanDerWaalsContact O-N 3.09Å; K463-A467 WeakPolarHBondContact O-CB 3.07Å; K463-A467 PolarHBondContact O-N 2.97Å
464	Y	92.2	Very high	89.8	Confident	76 Å²	76	45.5 Å²	45.5	30%	0.298	23%	0.234	S	C	.	.	H	α-helix	trans	-65	-47.6	-179.4	175.3	-88.9	0	0	0	112.5	D460 L462 L466 A467 T468 Q474	D460-Y464 WeakPolarHBondContact O-CB 3.38Å; D460-Y464 PolarHBondContact O-N 2.96Å; L462-Y464 PolarHBondContact O-N 2.98Å; Y464-L466 VanDerWaalsContact C-N 3.32Å; Y464-L466 PolarHBondContact O-N 2.89Å; Y464-A467 PolarHBondContact O-N 2.88Å; Y464-T468 HydrophobicContact CD2-CG2 4.02Å; Y464-T468 HydrophobicContact CE1-CG2 4.28Å; Y464-T468 HydrophobicContact CE2-CG2 3.73Å; Y464-T468 HydrophobicContact CG-CG2 4.44Å; Y464-T468 WeakPolarHBondContact O-CB 3.47Å; Y464-T468 PolarHBondContact O-N 3.14Å; Y464-T468 PolarHBondContact O-OG1 2.64Å; Y464-Q474 VanDerWaalsContact CB-NE2 3.32Å; Y464-Q474 HydrophobicContact CD1-CG 3.6Å; Y464-Q474 VanDerWaalsContact CD1-NE2 3.27Å; Y464-Q474 HydrophobicContact CE1-CB 4.26Å; Y464-Q474 HydrophobicContact CE1-CG 3.54Å; Y464-Q474 HydrophobicContact CG-CG 4.27Å
465	S	92.2	Very high	89.1	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-63.6	-41.4	-175.1	-55.8	0	0	0	0	111.1	L421 G461 L462 G469	L421-S465 VanDerWaalsContact CD2-CB 3.47Å; G461-S465 WeakPolarHBondContact O-CB 3.45Å; G461-S465 PolarHBondContact O-N 2.98Å; G461-S465 PolarHBondContact O-OG 3.26Å; L462-S465 PolarHBondContact O-N 2.97Å; S465-G469 WeakPolarHBondContact O-CA 3.44Å; S465-G469 PolarHBondContact O-N 2.88Å
466	L	93	Very high	88.4	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-73.6	-35.5	175.2	-63.7	171	0	0	0	112.7	P170 I204 L211 L418 L462 Y464 W471 S485	P170-L466 HydrophobicContact CB-CD1 4Å; P170-L466 HydrophobicContact CG-CD1 3.84Å; I204-L466 HydrophobicContact CD1-CB 3.08Å; I204-L466 HydrophobicContact CD1-CD1 3.57Å; I204-L466 HydrophobicContact CD1-CG 3.93Å; L211-L466 HydrophobicContact CD1-CD2 4.09Å; L211-L466 HydrophobicContact CD2-CD2 3.65Å; L211-L466 HydrophobicContact CG-CD2 4.25Å; L418-L466 HydrophobicContact CD2-CD2 4.26Å; L462-L466 WeakPolarHBondContact O-CB 3.46Å; L462-L466 WeakPolarHBondContact O-CG 3.45Å; L462-L466 PolarHBondContact O-N 3.31Å; L462-L466 VanDerWaalsContact O-N 3.12Å; Y464-L466 VanDerWaalsContact C-N 3.32Å; Y464-L466 PolarHBondContact O-N 2.89Å; L466-W471 HydrophobicContact CD2-CH2 3.53Å; L466-W471 HydrophobicContact CD2-CZ3 3.81Å; L466-S485 WeakPolarHBondContact O-CB 3.26Å; L466-S485 PolarHBondContact O-OG 2.83Å
467	A	92.5	Very high	87.2	Confident	26 Å²	26	47.4 Å²	47.4	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-68.6	-41.5	179.2	0	0	0	0	0	112.8	I204 K209 K463 Y464	I204-A467 HydrophobicContact CG2-CB 4.1Å; K209-A467 WeakPolarHBondContact CE-O 3.42Å; K209-A467 PolarHBondContact NZ-O 3.38Å; K463-A467 WeakPolarHBondContact O-CB 3.07Å; K463-A467 PolarHBondContact O-N 2.97Å; Y464-A467 PolarHBondContact O-N 2.88Å
468	T	90.1	Very high	86	Confident	67 Å²	67	54 Å²	54	41%	0.411	28%	0.28	S	S	.	.	H	α-helix	trans	-91.9	-27	-175.5	60.5	0	0	0	0	113.2	Y464 N470	Y464-T468 HydrophobicContact CD2-CG2 4.02Å; Y464-T468 HydrophobicContact CE1-CG2 4.28Å; Y464-T468 HydrophobicContact CE2-CG2 3.73Å; Y464-T468 HydrophobicContact CG-CG2 4.44Å; Y464-T468 WeakPolarHBondContact O-CB 3.47Å; Y464-T468 PolarHBondContact O-N 3.14Å; Y464-T468 PolarHBondContact O-OG1 2.64Å; T468-N470 VanDerWaalsContact C-N 3.32Å; T468-N470 PolarHBondContact OG1-N 3.45Å
469	G	87.9	Confident	85	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.315	C	S	.	.			trans	80.8	9.6	-173	0	0	0	0	0	114.3	S465 G483	S465-G469 WeakPolarHBondContact O-CA 3.44Å; S465-G469 PolarHBondContact O-N 2.88Å; G469-G483 PolarHBondContact O-N 3.36Å; G469-G483 VanDerWaalsContact O-N 3.15Å
470	N	87.8	Confident	83.8	Confident	43 Å²	43	60.3 Å²	60.3	23%	0.23	31%	0.31	C	S	.	.			trans	-87.9	111.1	173.5	-66.5	-29.6	0	0	0	109.6	T468 G472 A480	T468-N470 VanDerWaalsContact C-N 3.32Å; T468-N470 PolarHBondContact OG1-N 3.45Å; N470-G472 PolarHBondContact O-N 3.47Å; N470-A480 HydrophobicContact CB-CB 4.24Å
471	W	84.8	Confident	83.1	Confident	16 Å²	16	63.4 Å²	63.4	6%	0.061	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-90.9	102.3	-177	-136.2	-99.3	0	0	0	111.9	L211 L417 L418 L421 L466 A480 R481 V484	L211-W471 HydrophobicContact CD1-CH2 3.79Å; L211-W471 HydrophobicContact CD1-CZ2 4.47Å; L211-W471 HydrophobicContact CD2-CH2 3.4Å; L211-W471 VanDerWaalsContact CD2-CH2 3.4Å; L211-W471 HydrophobicContact CD2-CZ3 3.48Å; L211-W471 VanDerWaalsContact CD2-CZ3 3.48Å; L211-W471 HydrophobicContact CG-CH2 4.25Å; L417-W471 HydrophobicContact CB-CZ2 3.66Å; L417-W471 PolarHBondContact O-NE1 3.01Å; L418-W471 HydrophobicContact CD2-CH2 4.37Å; L418-W471 HydrophobicContact CD2-CZ2 4.27Å; L421-W471 HydrophobicContact CD2-CZ2 4.38Å; L466-W471 HydrophobicContact CD2-CH2 3.53Å; L466-W471 HydrophobicContact CD2-CZ3 3.81Å; W471-A480 WeakPolarHBondContact O-CB 3.42Å; W471-R481 PolarHBondContact N-O 3.41Å; W471-V484 HydrophobicContact CB-CG2 4.11Å; W471-V484 HydrophobicContact CD2-CB 4.17Å; W471-V484 HydrophobicContact CD2-CG1 3.86Å; W471-V484 HydrophobicContact CE3-CB 3.7Å; W471-V484 HydrophobicContact CE3-CG1 3.59Å; W471-V484 HydrophobicContact CE3-CG2 4.47Å; W471-V484 HydrophobicContact CG-CG1 4.47Å; W471-V484 HydrophobicContact CG-CG2 4.42Å; W471-V484 HydrophobicContact CH2-CG1 4.33Å; W471-V484 HydrophobicContact CZ3-CB 4.25Å; W471-V484 HydrophobicContact CZ3-CG1 3.83Å
472	G	78.8	Confident	82.6	Confident	22 Å²	22	67.7 Å²	67.7	23%	0.227	34%	0.343	C	S	.	.	S	Bend	trans	139.1	-156.1	174.7	0	0	0	0	0	114.9	N470 Q474	N470-G472 PolarHBondContact O-N 3.47Å; G472-Q474 PolarHBondContact O-N 2.96Å
473	D	74.6	Confident	81.8	Confident	92 Å²	92	68.8 Å²	68.8	49%	0.492	36%	0.355	S	S	.	.			trans	-68.8	123.8	178.8	-176.7	1.4	0	0	0	111	K475 K476 A477	D473-K475 PolarHBondContact O-N 3.32Å; D473-K475 PolarHBondContact OD1-N 3.22Å; D473-K476 CarbonylContact O-C 3.53Å; D473-K476 PolarHBondContact O-N 3.35Å; D473-A477 PolarHBondContact O-N 2.97Å
474	Q	78.3	Confident	81.5	Confident	94 Å²	94	66.1 Å²	66.1	44%	0.439	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-55.7	-34.6	178.4	-55.1	-175.3	-6	0	0	112	Y464 G472 K476 A477	Y464-Q474 VanDerWaalsContact CB-NE2 3.32Å; Y464-Q474 HydrophobicContact CD1-CG 3.6Å; Y464-Q474 VanDerWaalsContact CD1-NE2 3.27Å; Y464-Q474 HydrophobicContact CE1-CB 4.26Å; Y464-Q474 HydrophobicContact CE1-CG 3.54Å; Y464-Q474 HydrophobicContact CG-CG 4.27Å; G472-Q474 PolarHBondContact O-N 2.96Å; Q474-K476 PolarHBondContact O-N 3.44Å; Q474-A477 WeakPolarHBondContact O-CB 3.37Å; Q474-A477 PolarHBondContact O-N 3.46Å
475	K	77.5	Confident	81.6	Confident	191 Å²	191	62.9 Å²	62.9	83%	0.83	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-65.7	-21.9	179.1	-64.9	-178.3	179.6	179.7	0	112.8	D473	D473-K475 PolarHBondContact O-N 3.32Å; D473-K475 PolarHBondContact OD1-N 3.22Å
476	K	78.3	Confident	81.7	Confident	124 Å²	124	65 Å²	65	54%	0.539	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-115.9	35.9	177.8	-63.9	-178.9	-179.2	180	0	111.1	D473 Q474 N478 Q479 A480	D473-K476 CarbonylContact O-C 3.53Å; D473-K476 PolarHBondContact O-N 3.35Å; Q474-K476 PolarHBondContact O-N 3.44Å; K476-N478 PolarHBondContact O-N 3.29Å; K476-Q479 HydrophobicContact CB-CB 4.45Å; K476-Q479 WeakPolarHBondContact O-CA 3.47Å; K476-Q479 PolarHBondContact O-N 3.25Å; K476-A480 PolarHBondContact O-N 3.07Å; K476-A480 VanDerWaalsContact O-N 3.16Å
477	A	66.9	Low	81.8	Confident	31 Å²	31	69 Å²	69	26%	0.256	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-50.2	-35.4	-177.8	0	0	0	0	0	113.8	D473 Q474 Q479 A480	D473-A477 PolarHBondContact O-N 2.97Å; Q474-A477 WeakPolarHBondContact O-CB 3.37Å; Q474-A477 PolarHBondContact O-N 3.46Å; A477-Q479 VanDerWaalsContact C-N 3.25Å; A477-Q479 PolarHBondContact O-N 2.88Å; A477-A480 WeakPolarHBondContact O-CB 3.48Å; A477-A480 PolarHBondContact O-N 3.4Å; A477-A480 VanDerWaalsContact O-N 3.17Å
478	N	68.7	Low	81.9	Confident	171 Å²	171	68.3 Å²	68.3	91%	0.914	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-67.9	-20.8	177.7	-66.2	-10.7	0	0	0	114.2	K476	K476-N478 PolarHBondContact O-N 3.29Å
479	Q	73.2	Confident	82.1	Confident	154 Å²	154	67.8 Å²	67.8	72%	0.72	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-97.1	-15.1	174.8	-62.7	179.9	-4.5	0	0	112.1	K476 A477	K476-Q479 HydrophobicContact CB-CB 4.45Å; K476-Q479 WeakPolarHBondContact O-CA 3.47Å; K476-Q479 PolarHBondContact O-N 3.25Å; A477-Q479 VanDerWaalsContact C-N 3.25Å; A477-Q479 PolarHBondContact O-N 2.88Å
480	A	69.2	Low	82.3	Confident	12 Å²	12	68.9 Å²	68.9	10%	0.099	36%	0.357	C	S	.	.	S	Bend	trans	-65	143.7	176	0	0	0	0	0	109.5	N470 W471 K476 A477 P482	N470-A480 HydrophobicContact CB-CB 4.24Å; W471-A480 WeakPolarHBondContact O-CB 3.42Å; K476-A480 PolarHBondContact O-N 3.07Å; K476-A480 VanDerWaalsContact O-N 3.16Å; A477-A480 WeakPolarHBondContact O-CB 3.48Å; A477-A480 PolarHBondContact O-N 3.4Å; A477-A480 VanDerWaalsContact O-N 3.17Å; A480-P482 WeakPolarHBondContact O-CD 3.4Å
481	R	78.4	Confident	82.6	Confident	139 Å²	139	67.8 Å²	67.8	53%	0.525	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-71	115.6	178.2	-63.6	-179.9	-175.4	179	2.3	108.3	W471 V484	W471-R481 PolarHBondContact N-O 3.41Å; R481-V484 HydrophobicContact CB-CG2 4.11Å
482	P	81.9	Confident	83	Confident	99 Å²	99	67.2 Å²	67.2	64%	0.643	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	151.9	-179.5	33.4	-33.6	0	0	0	110.9	A480 V484	A480-P482 WeakPolarHBondContact O-CD 3.4Å; P482-V484 PolarHBondContact O-N 2.97Å
483	G	78.4	Confident	83.8	Confident	26 Å²	26	66.8 Å²	66.8	27%	0.268	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	15	168.1	0	0	0	0	0	115.6	G469 Q486	G469-G483 PolarHBondContact O-N 3.36Å; G469-G483 VanDerWaalsContact O-N 3.15Å; G483-Q486 PolarHBondContact O-NE2 3.31Å
484	V	88	Confident	84.7	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	32%	0.32	C	S	.	.	S	Bend	trans	-67.2	-44.3	171.8	-180	0	0	0	0	110.4	I212 Q214 L417 W471 R481 P482	I212-V484 PolarHBondContact N-O 3.06Å; Q214-V484 HydrophobicContact CG-CG1 4.38Å; Q214-V484 HydrophobicContact CG-CG2 4.3Å; L417-V484 HydrophobicContact CD1-CG1 3.72Å; L417-V484 HydrophobicContact CD2-CG1 4.37Å; W471-V484 HydrophobicContact CB-CG2 4.11Å; W471-V484 HydrophobicContact CD2-CB 4.17Å; W471-V484 HydrophobicContact CD2-CG1 3.86Å; W471-V484 HydrophobicContact CE3-CB 3.7Å; W471-V484 HydrophobicContact CE3-CG1 3.59Å; W471-V484 HydrophobicContact CE3-CG2 4.47Å; W471-V484 HydrophobicContact CG-CG1 4.47Å; W471-V484 HydrophobicContact CG-CG2 4.42Å; W471-V484 HydrophobicContact CH2-CG1 4.33Å; W471-V484 HydrophobicContact CZ3-CB 4.25Å; W471-V484 HydrophobicContact CZ3-CG1 3.83Å; R481-V484 HydrophobicContact CB-CG2 4.11Å; P482-V484 PolarHBondContact O-N 2.97Å
485	S	93.2	Very high	85.4	Confident	8 Å²	8	58.3 Å²	58.3	6%	0.056	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	132.2	169.1	-167.8	0	0	0	0	111.2	V210 L466	V210-S485 WeakPolarHBondContact O-CA 3.31Å; L466-S485 WeakPolarHBondContact O-CB 3.26Å; L466-S485 PolarHBondContact O-OG 2.83Å
486	Q	93.8	Very high	86.3	Confident	49 Å²	49	49.2 Å²	49.2	23%	0.229	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156.5	179	-61.1	-178	15.1	0	0	109.9	K209 V210 I212 G483 H499	K209-Q486 WeakPolarHBondContact CA-O 3.44Å; V210-Q486 HydrophobicContact CG1-CB 4.37Å; V210-Q486 PolarHBondContact N-O 2.87Å; V210-Q486 PolarHBondContact O-N 3.13Å; I212-Q486 HydrophobicContact CG1-CG 4.11Å; G483-Q486 PolarHBondContact O-NE2 3.31Å; Q486-H499 PolarHBondContact OE1-NE2 2.94Å
487	V	95.2	Very high	87.2	Confident	85 Å²	85	43.5 Å²	43.5	52%	0.515	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.7	172.4	179.1	0	0	0	0	108.7	E208 K209 N489 H499	E208-V487 WeakPolarHBondContact O-CA 3.49Å; K209-V487 HydrophobicContact CD-CG2 4.21Å; V487-N489 PolarHBondContact O-N 2.98Å; V487-H499 PolarHBondContact O-CE1 2.83Å
488	L	96	Very high	88.6	Confident	10 Å²	10	42 Å²	42	5%	0.052	22%	0.223	C	C	.	.			trans	-58.5	137.3	179	-174.4	63.8	0	0	0	110.5	Y201 E208 V210 R490 T496 H499 L500	Y201-L488 HydrophobicContact CD1-CD2 3.83Å; Y201-L488 HydrophobicContact CD2-CD2 4.22Å; Y201-L488 HydrophobicContact CE1-CD2 4.16Å; Y201-L488 HydrophobicContact CE2-CD2 4.5Å; Y201-L488 HydrophobicContact CG-CD2 3.88Å; E208-L488 HydrophobicContact CB-CB 3.93Å; E208-L488 HydrophobicContact CB-CD2 4.33Å; E208-L488 PolarHBondContact O-N 2.86Å; V210-L488 HydrophobicContact CB-CD1 4.32Å; V210-L488 HydrophobicContact CG1-CD1 4.37Å; L488-R490 HydrophobicContact CD2-CG 4.29Å; L488-R490 HydrophobicContact CG-CG 4.34Å; L488-R490 PolarHBondContact O-N 3.27Å; L488-T496 HydrophobicContact CD1-CG2 4.11Å; L488-T496 HydrophobicContact CD2-CG2 4.06Å; L488-T496 HydrophobicContact CG-CG2 4.29Å; L488-H499 HydrophobicContact CD1-CB 4.3Å; L488-L500 HydrophobicContact CD1-CD2 4.16Å; L488-L500 HydrophobicContact CD1-CG 4.11Å
489	N	93.5	Very high	89.9	Confident	57 Å²	57	34.2 Å²	34.2	31%	0.305	18%	0.181	S	C	.	.			trans	-97.9	89.9	-174.2	-176.8	14.5	0	0	0	110.3	V487 L491 S495 H499	V487-N489 PolarHBondContact O-N 2.98Å; N489-L491 PolarHBondContact O-N 2.8Å; N489-S495 PolarHBondContact ND2-OG 3.47Å; N489-S495 PolarHBondContact O-OG 3.44Å; N489-H499 PolarHBondContact N-ND1 3.31Å; N489-H499 VanDerWaalsContact N-ND1 3.2Å
490	R	92.5	Very high	90.9	Very high	23 Å²	23	26.9 Å²	26.9	9%	0.087	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	59.6	179	-67.3	-149	-172.7	-97.4	0.3	113.5	D197 Y201 E208 L488 Y753	D197-R490 IonicContact OD1-CZ 3.4Å; D197-R490 IonicContact OD1-NH1 3.56Å; D197-R490 PolarHBondContact OD1-NH1 3.46Å; D197-R490 IonicContact OD1-NH2 3.15Å; D197-R490 PolarHBondContact OD1-NH2 3.05Å; D197-R490 IonicContact OD2-NH2 3.76Å; Y201-R490 PolarHBondContact OH-NH2 3.05Å; E208-R490 VanDerWaalsContact CD-NE 3.31Å; E208-R490 VanDerWaalsContact CD-NH2 3.26Å; E208-R490 IonicContact OE1-CZ 2.75Å; E208-R490 IonicContact OE1-NE 2.69Å; E208-R490 PolarHBondContact OE1-NE 3.04Å; E208-R490 IonicContact OE1-NH2 3.06Å; E208-R490 PolarHBondContact OE1-NH2 3.15Å; E208-R490 WeakPolarHBondContact OE2-CD 3.34Å; E208-R490 IonicContact OE2-CZ 2.65Å; E208-R490 IonicContact OE2-NE 3.45Å; E208-R490 PolarHBondContact OE2-NE 3.11Å; E208-R490 IonicContact OE2-NH2 3.29Å; E208-R490 PolarHBondContact OE2-NH2 3.26Å; L488-R490 HydrophobicContact CD2-CG 4.29Å; L488-R490 HydrophobicContact CG-CG 4.34Å; L488-R490 PolarHBondContact O-N 3.27Å; R490-Y753 HydrophobicContact CB-CD2 4.07Å; R490-Y753 HydrophobicContact CB-CE2 4.39Å
491	L	92.5	Very high	92.2	Very high	19 Å²	19	26.7 Å²	26.7	10%	0.099	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-42	169.5	-167.6	75.7	0	0	0	112	N489 K747 Q748 A749 K1069	N489-L491 PolarHBondContact O-N 2.8Å; L491-K747 WeakPolarHBondContact CD2-O 3.42Å; L491-Q748 VanDerWaalsContact CD2-C 3.48Å; L491-Q748 VanDerWaalsContact CD2-CA 3.43Å; L491-Q748 WeakPolarHBondContact CD2-O 3.19Å; L491-A749 VanDerWaalsContact CD2-O 3.31Å; L491-A749 WeakPolarHBondContact CD2-O 3.39Å; L491-K1069 HydrophobicContact CD1-CB 4.29Å; L491-K1069 HydrophobicContact CD1-CD 4.26Å; L491-K1069 HydrophobicContact CD2-CB 4.24Å; L491-K1069 HydrophobicContact CD2-CD 3.84Å; L491-K1069 HydrophobicContact CD2-CG 4.31Å
492	T	94.1	Very high	93.1	Very high	4 Å²	4	22 Å²	22	3%	0.025	13%	0.126	C	C	.	.	S	Bend	trans	-142	161.7	176.3	57.5	0	0	0	0	109.1	A494 S495 T496 A749 A791	T492-A494 VanDerWaalsContact C-N 3.31Å; T492-A494 PolarHBondContact O-N 3.43Å; T492-S495 WeakPolarHBondContact O-CB 3.15Å; T492-S495 PolarHBondContact O-N 2.92Å; T492-S495 VanDerWaalsContact OG1-CB 3.31Å; T492-S495 WeakPolarHBondContact OG1-CB 3.31Å; T492-S495 PolarHBondContact OG1-N 2.98Å; T492-S495 VanDerWaalsContact OG1-N 3.11Å; T492-T496 PolarHBondContact O-N 2.91Å; T492-T496 VanDerWaalsContact O-N 3.12Å; T492-T496 PolarHBondContact O-OG1 3.24Å; T492-A749 HydrophobicContact CG2-CB 4.35Å; T492-A749 WeakPolarHBondContact CG2-O 3.31Å; T492-A791 HydrophobicContact CG2-CB 4.15Å
493	F	94.9	Very high	93.6	Very high	14 Å²	14	17.3 Å²	17.3	6%	0.061	10%	0.096	C	C	.	.	H	α-helix	trans	-58.4	-44.8	174.3	-168.6	-114	0	0	0	111.8	L196 S495 T496 L497 L784 R785 L789	L196-F493 HydrophobicContact CB-CE2 4.44Å; L196-F493 HydrophobicContact CB-CZ 4.47Å; L196-F493 VanDerWaalsContact O-CE2 3.26Å; L196-F493 WeakPolarHBondContact O-CE2 3.44Å; L196-F493 VanDerWaalsContact O-CZ 3.3Å; L196-F493 WeakPolarHBondContact O-CZ 3.4Å; F493-S495 VanDerWaalsContact C-N 3.33Å; F493-S495 PolarHBondContact O-N 2.9Å; F493-T496 WeakPolarHBondContact O-CB 3.48Å; F493-T496 PolarHBondContact O-N 3.1Å; F493-T496 VanDerWaalsContact O-N 3.09Å; F493-L497 HydrophobicContact CD1-CD1 3.87Å; F493-L497 HydrophobicContact CD1-CG 4.44Å; F493-L497 HydrophobicContact CE1-CD1 3.61Å; F493-L497 HydrophobicContact CE1-CG 4.19Å; F493-L497 HydrophobicContact CZ-CD1 4.25Å; F493-L497 HydrophobicContact CZ-CD2 4.36Å; F493-L497 HydrophobicContact CZ-CG 4.41Å; F493-L497 PolarHBondContact O-N 2.88Å; F493-L497 VanDerWaalsContact O-N 3.07Å; F493-L784 WeakPolarHBondContact CD1-O 3.31Å; F493-L784 VanDerWaalsContact CE1-O 3.27Å; F493-L784 WeakPolarHBondContact CE1-O 3.43Å; F493-R785 HydrophobicContact CE1-CB 4.17Å; F493-L789 HydrophobicContact CB-CB 4.14Å; F493-L789 HydrophobicContact CB-CD1 4.09Å; F493-L789 HydrophobicContact CD1-CD1 4.48Å; F493-L789 HydrophobicContact CD2-CD1 3.79Å; F493-L789 HydrophobicContact CE2-CD1 4.33Å; F493-L789 HydrophobicContact CG-CB 4.45Å; F493-L789 HydrophobicContact CG-CD1 3.88Å
494	A	93.9	Very high	94.4	Very high	7 Å²	7	16.9 Å²	16.9	6%	0.058	9%	0.087	C	C	.	.	H	α-helix	trans	-60.3	-38.3	176	0	0	0	0	0	113.3	T492 T496 S498	T492-A494 VanDerWaalsContact C-N 3.31Å; T492-A494 PolarHBondContact O-N 3.43Å; A494-T496 VanDerWaalsContact C-N 3.34Å; A494-S498 VanDerWaalsContact O-CB 3.24Å; A494-S498 WeakPolarHBondContact O-CB 3.4Å; A494-S498 PolarHBondContact O-N 2.95Å
495	S	94.4	Very high	94.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.1	-40.6	174.4	170.2	0	0	0	0	111.8	N489 T492 F493 H499	N489-S495 PolarHBondContact ND2-OG 3.47Å; N489-S495 PolarHBondContact O-OG 3.44Å; T492-S495 WeakPolarHBondContact O-CB 3.15Å; T492-S495 PolarHBondContact O-N 2.92Å; T492-S495 VanDerWaalsContact OG1-CB 3.31Å; T492-S495 WeakPolarHBondContact OG1-CB 3.31Å; T492-S495 PolarHBondContact OG1-N 2.98Å; T492-S495 VanDerWaalsContact OG1-N 3.11Å; F493-S495 VanDerWaalsContact C-N 3.33Å; F493-S495 PolarHBondContact O-N 2.9Å; S495-H499 WeakPolarHBondContact O-CB 3.21Å; S495-H499 PolarHBondContact O-N 3.42Å
496	T	96.2	Very high	94.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-61.4	-52.5	177.7	-56.9	0	0	0	0	110.7	L488 T492 F493 A494 S498 H499 L500	L488-T496 HydrophobicContact CD1-CG2 4.11Å; L488-T496 HydrophobicContact CD2-CG2 4.06Å; L488-T496 HydrophobicContact CG-CG2 4.29Å; T492-T496 PolarHBondContact O-N 2.91Å; T492-T496 VanDerWaalsContact O-N 3.12Å; T492-T496 PolarHBondContact O-OG1 3.24Å; F493-T496 WeakPolarHBondContact O-CB 3.48Å; F493-T496 PolarHBondContact O-N 3.1Å; F493-T496 VanDerWaalsContact O-N 3.09Å; A494-T496 VanDerWaalsContact C-N 3.34Å; T496-S498 PolarHBondContact O-N 3.43Å; T496-H499 PolarHBondContact O-N 3.47Å; T496-H499 VanDerWaalsContact O-N 3.16Å; T496-L500 HydrophobicContact CG2-CD1 4.01Å; T496-L500 WeakPolarHBondContact O-CG 3.28Å; T496-L500 PolarHBondContact O-N 3.31Å; T496-L500 VanDerWaalsContact O-N 3.11Å
497	L	95.8	Very high	93.6	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-59.4	-48.1	178.2	-66.1	174.6	0	0	0	112.2	L57 P198 F493 H499 L500 R501 I723 L784	L57-L497 HydrophobicContact CB-CD2 4.38Å; L57-L497 HydrophobicContact CD1-CD1 3.83Å; L57-L497 HydrophobicContact CD1-CD2 4.04Å; P198-L497 HydrophobicContact CB-CD2 4.01Å; P198-L497 HydrophobicContact CG-CD2 3.85Å; F493-L497 HydrophobicContact CD1-CD1 3.87Å; F493-L497 HydrophobicContact CD1-CG 4.44Å; F493-L497 HydrophobicContact CE1-CD1 3.61Å; F493-L497 HydrophobicContact CE1-CG 4.19Å; F493-L497 HydrophobicContact CZ-CD1 4.25Å; F493-L497 HydrophobicContact CZ-CD2 4.36Å; F493-L497 HydrophobicContact CZ-CG 4.41Å; F493-L497 PolarHBondContact O-N 2.88Å; F493-L497 VanDerWaalsContact O-N 3.07Å; L497-H499 VanDerWaalsContact C-N 3.27Å; L497-H499 PolarHBondContact O-N 2.81Å; L497-L500 PolarHBondContact O-N 3.35Å; L497-R501 WeakPolarHBondContact O-CG 3.37Å; L497-R501 PolarHBondContact O-N 3.21Å; L497-I723 HydrophobicContact CB-CD1 4.49Å; L497-I723 HydrophobicContact CB-CG1 4.33Å; L497-I723 HydrophobicContact CB-CG2 3.97Å; L497-I723 HydrophobicContact CD1-CG2 4.37Å; L497-L784 HydrophobicContact CD1-CD2 4.47Å
498	S	96	Very high	92.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.5	-38.3	176.2	170	0	0	0	0	112.2	A494 T496 R501 R502 E531 N543 K747	A494-S498 VanDerWaalsContact O-CB 3.24Å; A494-S498 WeakPolarHBondContact O-CB 3.4Å; A494-S498 PolarHBondContact O-N 2.95Å; T496-S498 PolarHBondContact O-N 3.43Å; S498-R501 PolarHBondContact O-N 3.01Å; S498-R502 PolarHBondContact O-N 3.44Å; S498-E531 WeakPolarHBondContact CB-OE1 3.11Å; S498-E531 PolarHBondContact OG-OE1 2.77Å; S498-N543 PolarHBondContact O-OD1 3.12Å; S498-K747 WeakPolarHBondContact OG-CE 3.43Å; S498-K747 PolarHBondContact OG-NZ 3.34Å
499	H	96.3	Very high	92.2	Very high	7 Å²	7	25.6 Å²	25.6	3%	0.032	14%	0.139	C	C	.	.	H	α-helix	trans	-68.6	-38.6	179.4	-157.6	174.2	0	0	0	112.4	Q486 V487 L488 N489 S495 T496 L497 R501 R502	Q486-H499 PolarHBondContact OE1-NE2 2.94Å; V487-H499 PolarHBondContact O-CE1 2.83Å; L488-H499 HydrophobicContact CD1-CB 4.3Å; N489-H499 PolarHBondContact N-ND1 3.31Å; N489-H499 VanDerWaalsContact N-ND1 3.2Å; S495-H499 WeakPolarHBondContact O-CB 3.21Å; S495-H499 PolarHBondContact O-N 3.42Å; T496-H499 PolarHBondContact O-N 3.47Å; T496-H499 VanDerWaalsContact O-N 3.16Å; L497-H499 VanDerWaalsContact C-N 3.27Å; L497-H499 PolarHBondContact O-N 2.81Å; H499-R501 VanDerWaalsContact C-N 3.3Å; H499-R501 PolarHBondContact O-N 2.88Å; H499-R502 PolarHBondContact CD2-NH1 3.03Å; H499-R502 VanDerWaalsContact CD2-NH1 3.3Å; H499-R502 PolarHBondContact NE2-NH1 2.98Å; H499-R502 VanDerWaalsContact NE2-NH1 3.1Å; H499-R502 WeakPolarHBondContact O-CB 3.38Å; H499-R502 PolarHBondContact O-N 3.46Å
500	L	96	Very high	91.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-68.9	-27.8	178.9	-66.6	159.7	0	0	0	112.8	V58 Q61 P198 G200 V210 L488 T496 L497	V58-L500 HydrophobicContact CG1-CB 3.5Å; V58-L500 VanDerWaalsContact CG1-CB 3.5Å; V58-L500 HydrophobicContact CG1-CD1 3.87Å; V58-L500 HydrophobicContact CG1-CG 4.2Å; Q61-L500 PolarHBondContact NE2-O 3.42Å; P198-L500 HydrophobicContact CG-CD1 3.77Å; G200-L500 VanDerWaalsContact O-CD2 3.29Å; G200-L500 WeakPolarHBondContact O-CD2 2.94Å; V210-L500 HydrophobicContact CB-CD2 4.37Å; V210-L500 HydrophobicContact CG2-CD2 3.73Å; L488-L500 HydrophobicContact CD1-CD2 4.16Å; L488-L500 HydrophobicContact CD1-CG 4.11Å; T496-L500 HydrophobicContact CG2-CD1 4.01Å; T496-L500 WeakPolarHBondContact O-CG 3.28Å; T496-L500 PolarHBondContact O-N 3.31Å; T496-L500 VanDerWaalsContact O-N 3.11Å; L497-L500 PolarHBondContact O-N 3.35Å
501	R	96	Very high	90.9	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.026	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	14.6	178.3	-58.2	-166	77	177.3	4.1	114.4	L57 L497 S498 H499 L544 A545 L546 A548	L57-R501 VanDerWaalsContact O-CD 3.23Å; L57-R501 WeakPolarHBondContact O-CD 3.34Å; L57-R501 PolarHBondContact O-NE 3.24Å; L497-R501 WeakPolarHBondContact O-CG 3.37Å; L497-R501 PolarHBondContact O-N 3.21Å; S498-R501 PolarHBondContact O-N 3.01Å; H499-R501 VanDerWaalsContact C-N 3.3Å; H499-R501 PolarHBondContact O-N 2.88Å; R501-L544 HydrophobicContact CB-CB 4.34Å; R501-L544 HydrophobicContact CB-CD1 4.37Å; R501-L544 PolarHBondContact O-N 3.16Å; R501-L544 VanDerWaalsContact O-N 3.11Å; R501-A545 VanDerWaalsContact CZ-O 3.26Å; R501-A545 PolarHBondContact NH1-O 2.81Å; R501-A545 PolarHBondContact NH2-O 3.15Å; R501-L546 PolarHBondContact NH1-O 3.12Å; R501-L546 PolarHBondContact NH2-O 3.02Å; R501-A548 PolarHBondContact NH2-O 2.9Å
502	R	95.8	Very high	90.1	Very high	42 Å²	42	39.3 Å²	39.3	16%	0.158	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	142.8	-179.3	-176.2	-177.7	-64.2	163.9	8.5	111.4	I212 A213 S498 H499 V541	I212-R502 HydrophobicContact CD1-CB 4.25Å; I212-R502 HydrophobicContact CG2-CB 4.38Å; I212-R502 HydrophobicContact CG2-CG 4.07Å; I212-R502 WeakPolarHBondContact CG2-O 3.48Å; A213-R502 PolarHBondContact N-O 3.27Å; S498-R502 PolarHBondContact O-N 3.44Å; H499-R502 PolarHBondContact CD2-NH1 3.03Å; H499-R502 VanDerWaalsContact CD2-NH1 3.3Å; H499-R502 PolarHBondContact NE2-NH1 2.98Å; H499-R502 VanDerWaalsContact NE2-NH1 3.1Å; H499-R502 WeakPolarHBondContact O-CB 3.38Å; H499-R502 PolarHBondContact O-N 3.46Å; R502-V541 HydrophobicContact CG-CG1 3.65Å
503	L	94.3	Very high	89.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	153.7	169.4	67.5	101.3	0	0	0	111.4	A213 L411 I527 K542 L544	A213-L503 HydrophobicContact CB-CB 3.92Å; A213-L503 CarbonylContact O-C 3.53Å; A213-L503 WeakPolarHBondContact O-CA 3.17Å; L411-L503 HydrophobicContact CD2-CB 4.15Å; L411-L503 HydrophobicContact CD2-CD1 4.41Å; L503-I527 HydrophobicContact CD1-CD1 4.38Å; L503-I527 HydrophobicContact CD2-CD1 3.93Å; L503-I527 HydrophobicContact CD2-CG1 4.15Å; L503-K542 HydrophobicContact CD1-CB 3.77Å; L503-K542 HydrophobicContact CD1-CD 3.97Å; L503-K542 HydrophobicContact CD1-CG 3.93Å; L503-K542 HydrophobicContact CD2-CB 4.19Å; L503-K542 HydrophobicContact CG-CB 3.87Å; L503-K542 PolarHBondContact N-O 2.86Å; L503-K542 PolarHBondContact O-N 3.48Å; L503-L544 HydrophobicContact CD2-CD2 3.84Å; L503-L544 HydrophobicContact CD2-CG 4.36Å
504	N	93.5	Very high	89.2	Confident	17 Å²	17	47.1 Å²	47.1	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.7	-175	178.3	67.6	0	0	0	110.9	I212 A213 Q214 E215	I212-N504 HydrophobicContact CG2-CB 3.82Å; A213-N504 PolarHBondContact O-N 2.97Å; Q214-N504 PolarHBondContact OE1-ND2 3.19Å; E215-N504 PolarHBondContact N-O 2.85Å
505	S	91.1	Very high	88.9	Confident	3 Å²	3	56 Å²	56	2%	0.021	29%	0.293	C	S	.	.			trans	-82.2	121.8	168.6	-43.8	0	0	0	0	109.5	E215 I507 L540	E215-S505 PolarHBondContact OE2-OG 3.42Å; S505-I507 PolarHBondContact O-N 3.19Å; S505-L540 PolarHBondContact N-O 2.79Å; S505-L540 PolarHBondContact OG-O 3.02Å
506	P	84.6	Confident	88.6	Confident	74 Å²	74	57.1 Å²	57.1	48%	0.481	30%	0.3	S	S	.	.			trans	-79	53.3	-172.7	33.9	-37.7	0	0	0	112.5	E215	E215-P506 WeakPolarHBondContact O-CD 3.38Å; E215-P506 WeakPolarHBondContact O-CG 3.41Å
507	I	84	Confident	88.4	Confident	78 Å²	78	59.1 Å²	59.1	40%	0.4	31%	0.307	S	S	.	.	S	Bend	trans	-107.2	144.2	178.4	-59.5	174.2	0	0	0	109	S505 R509 P516 L540	S505-I507 PolarHBondContact O-N 3.19Å; I507-R509 PolarHBondContact O-N 3.42Å; I507-P516 HydrophobicContact CD1-CB 3.61Å; I507-P516 HydrophobicContact CD1-CG 3.95Å; I507-L540 HydrophobicContact CB-CD2 4.11Å; I507-L540 HydrophobicContact CD1-CD2 4.3Å
508	G	78.9	Confident	88.3	Confident	55 Å²	55	65 Å²	65	57%	0.567	34%	0.335	S	S	*	.			trans	-56.4	125.9	175.6	0	0	0	0	0	111.9	D510 G511	G508-D510 VanDerWaalsContact C-N 3.28Å; G508-D510 PolarHBondContact O-N 3.26Å; G508-G511 PolarHBondContact O-N 3.11Å
509	R	81.4	Confident	88.2	Confident	126 Å²	126	70.3 Å²	70.3	48%	0.475	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.4	-173.3	-65	-179.4	-179.4	175.4	1	113.8	I507 G511 R517 L540	I507-R509 PolarHBondContact O-N 3.42Å; R509-G511 VanDerWaalsContact C-N 3.28Å; R509-G511 PolarHBondContact O-N 3.39Å; R509-R517 PolarHBondContact O-NH2 3.01Å; R509-L540 HydrophobicContact CG-CD1 4.34Å
510	D	81.4	Confident	88.2	Confident	144 Å²	144	71.8 Å²	71.8	77%	0.77	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-11.7	-179	-54.6	-39.1	0	0	0	112.8	G508 K512	G508-D510 VanDerWaalsContact C-N 3.28Å; G508-D510 PolarHBondContact O-N 3.26Å; D510-K512 PolarHBondContact O-N 3.1Å
511	G	77.3	Confident	88.2	Confident	34 Å²	34	77.9 Å²	77.9	35%	0.351	40%	0.402	S	S	.	.			trans	-64.8	127.8	177.4	0	0	0	0	0	112	G508 R509 L513 R517	G508-G511 PolarHBondContact O-N 3.11Å; R509-G511 VanDerWaalsContact C-N 3.28Å; R509-G511 PolarHBondContact O-N 3.39Å; G511-L513 VanDerWaalsContact C-N 3.25Å; G511-L513 PolarHBondContact O-N 2.92Å; G511-R517 PolarHBondContact O-NH2 3.28Å
512	K	76.6	Confident	88.2	Confident	209 Å²	209	78.3 Å²	78.3	91%	0.909	41%	0.406	S	S	*	.			trans	-83.1	10.7	176.6	-62.6	-175.7	179.1	-179.3	0	114.1	D510 A514	D510-K512 PolarHBondContact O-N 3.1Å; K512-A514 PolarHBondContact O-N 3.01Å
513	L	84.3	Confident	88.2	Confident	128 Å²	128	76.7 Å²	76.7	67%	0.67	40%	0.4	S	S	*	.			trans	-69.8	124.3	179.3	-67.5	170.8	0	0	0	110.2	G511 R517	G511-L513 VanDerWaalsContact C-N 3.25Å; G511-L513 PolarHBondContact O-N 2.92Å; L513-R517 WeakPolarHBondContact O-CD 3.17Å
514	A	86.4	Confident	88.3	Confident	53 Å²	53	81.6 Å²	81.6	44%	0.438	42%	0.419	S	S	.	.			trans	-78.8	-42.2	-176.3	0	0	0	0	0	113.4	K512 R517 Q518	K512-A514 PolarHBondContact O-N 3.01Å; A514-R517 WeakPolarHBondContact O-CA 3.43Å; A514-R517 WeakPolarHBondContact O-CB 3.46Å; A514-R517 PolarHBondContact O-N 2.85Å; A514-Q518 PolarHBondContact O-N 3.47Å; A514-Q518 VanDerWaalsContact O-N 3.1Å
515	R	86.8	Confident	88.4	Confident	193 Å²	193	81 Å²	81	73%	0.728	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-53	-51.1	-168.3	-68.3	-169.4	177.2	-170.3	-3.7	115.8	D404 R517 Q518	D404-R515 WeakPolarHBondContact OD2-CB 3.35Å; R515-R517 PolarHBondContact O-N 2.87Å; R515-Q518 PolarHBondContact O-N 3.15Å; R515-Q518 VanDerWaalsContact O-N 3.16Å
516	P	88.6	Confident	88.6	Confident	24 Å²	24	80.9 Å²	80.9	16%	0.156	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-69.6	-10.6	179.1	28.9	-36.3	0	0	0	113.9	I507	I507-P516 HydrophobicContact CD1-CB 3.61Å; I507-P516 HydrophobicContact CD1-CG 3.95Å
517	R	91.2	Very high	89.2	Confident	43 Å²	43	77.6 Å²	77.6	16%	0.162	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-97.3	-17.9	178.9	-56.5	177.3	177.1	-90.7	9	112.8	R509 G511 L513 A514 R515 H536 V538 G539 L540	R509-R517 PolarHBondContact O-NH2 3.01Å; G511-R517 PolarHBondContact O-NH2 3.28Å; L513-R517 WeakPolarHBondContact O-CD 3.17Å; A514-R517 WeakPolarHBondContact O-CA 3.43Å; A514-R517 WeakPolarHBondContact O-CB 3.46Å; A514-R517 PolarHBondContact O-N 2.85Å; R515-R517 PolarHBondContact O-N 2.87Å; R517-H536 PolarHBondContact NH1-O 3.08Å; R517-H536 PolarHBondContact NH2-O 3.06Å; R517-V538 WeakPolarHBondContact CB-O 3.41Å; R517-V538 WeakPolarHBondContact CG-O 3.17Å; R517-V538 PolarHBondContact NH1-O 3.47Å; R517-G539 WeakPolarHBondContact O-CA 3.04Å; R517-L540 HydrophobicContact CG-CD2 4.1Å; R517-L540 HydrophobicContact CG-CG 4.28Å; R517-L540 VanDerWaalsContact NH1-CD1 3.35Å
518	Q	93.1	Very high	89.8	Confident	126 Å²	126	74.1 Å²	74.1	59%	0.589	38%	0.377	S	S	*	.	S	Bend	trans	-71.6	150.3	178.9	-75.1	173.2	-17.4	0	0	109.9	A514 R515 H520	A514-Q518 PolarHBondContact O-N 3.47Å; A514-Q518 VanDerWaalsContact O-N 3.1Å; R515-Q518 PolarHBondContact O-N 3.15Å; R515-Q518 VanDerWaalsContact O-N 3.16Å; Q518-H520 PolarHBondContact O-N 2.9Å
519	L	95	Very high	90.6	Very high	112 Å²	112	74.1 Å²	74.1	59%	0.586	37%	0.367	S	S	*	.			trans	-70.7	115.7	171.9	-171.9	76.4	0	0	0	108.2	L523 P529	L519-L523 HydrophobicContact CD1-CB 4.36Å; L519-L523 HydrophobicContact CD1-CD1 3.7Å; L519-L523 HydrophobicContact CG-CD1 4.41Å; L519-P529 HydrophobicContact CD1-CB 4.26Å; L519-P529 HydrophobicContact CD2-CB 3.91Å
520	H	96	Very high	91.2	Very high	38 Å²	38	68.5 Å²	68.5	18%	0.176	35%	0.347	C	S	.	.			trans	-86.5	148	175.3	-163.8	-95.8	0	0	0	109.9	D402 Q518 T522 L523	D402-H520 IonicContact OD2-CD2 3.24Å; D402-H520 IonicContact OD2-NE2 3.5Å; D402-H520 PolarHBondContact OD2-NE2 3.3Å; D402-H520 VanDerWaalsContact OD2-NE2 3.12Å; Q518-H520 PolarHBondContact O-N 2.9Å; H520-T522 VanDerWaalsContact C-N 3.29Å; H520-T522 VanDerWaalsContact CE1-CG2 3.41Å; H520-T522 WeakPolarHBondContact CE1-CG2 3.4Å; H520-T522 VanDerWaalsContact ND1-CG2 3.31Å; H520-T522 WeakPolarHBondContact ND1-CG2 3.4Å; H520-T522 PolarHBondContact ND1-N 3.25Å; H520-T522 PolarHBondContact ND1-OG1 2.95Å; H520-T522 PolarHBondContact O-N 3.02Å; H520-L523 HydrophobicContact CB-CD1 4.34Å; H520-L523 HydrophobicContact CB-CG 4.18Å; H520-L523 VanDerWaalsContact O-CB 3.28Å; H520-L523 WeakPolarHBondContact O-CB 3.02Å; H520-L523 VanDerWaalsContact O-CG 3.32Å; H520-L523 WeakPolarHBondContact O-CG 3.47Å; H520-L523 PolarHBondContact O-N 3.19Å
521	N	95.9	Very high	91.9	Very high	129 Å²	129	61.8 Å²	61.8	69%	0.69	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-62.2	-34.4	-178.7	58.4	-19	0	0	0	112.8	L523 W524	N521-L523 PolarHBondContact O-N 2.86Å; N521-W524 WeakPolarHBondContact O-CB 3.46Å; N521-W524 PolarHBondContact O-N 3.22Å; N521-W524 VanDerWaalsContact O-N 3.15Å
522	T	96.5	Very high	92.7	Very high	16 Å²	16	61.4 Å²	61.4	10%	0.098	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-66	0.9	176.5	67.1	0	0	0	0	114.6	H405 Y406 H520 W524	H405-T522 WeakPolarHBondContact CD2-CG2 3.5Å; H405-T522 WeakPolarHBondContact NE2-CG2 3.48Å; Y406-T522 VanDerWaalsContact CB-OG1 3.31Å; Y406-T522 WeakPolarHBondContact CB-OG1 3.46Å; Y406-T522 PolarHBondContact N-OG1 2.98Å; Y406-T522 VanDerWaalsContact N-OG1 3.11Å; H520-T522 VanDerWaalsContact C-N 3.29Å; H520-T522 VanDerWaalsContact CE1-CG2 3.41Å; H520-T522 WeakPolarHBondContact CE1-CG2 3.4Å; H520-T522 VanDerWaalsContact ND1-CG2 3.31Å; H520-T522 WeakPolarHBondContact ND1-CG2 3.4Å; H520-T522 PolarHBondContact ND1-N 3.25Å; H520-T522 PolarHBondContact ND1-OG1 2.95Å; H520-T522 PolarHBondContact O-N 3.02Å; T522-W524 VanDerWaalsContact C-N 3.33Å
523	L	96	Very high	93.4	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.047	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-86	-12.1	175.5	-61.4	-176	0	0	0	112.2	Y406 L519 H520 N521 G525 M526 I527	Y406-L523 HydrophobicContact CD2-CD2 3.56Å; Y406-L523 HydrophobicContact CE2-CD2 4.12Å; Y406-L523 HydrophobicContact CG-CD2 3.85Å; L519-L523 HydrophobicContact CD1-CB 4.36Å; L519-L523 HydrophobicContact CD1-CD1 3.7Å; L519-L523 HydrophobicContact CG-CD1 4.41Å; H520-L523 HydrophobicContact CB-CD1 4.34Å; H520-L523 HydrophobicContact CB-CG 4.18Å; H520-L523 VanDerWaalsContact O-CB 3.28Å; H520-L523 WeakPolarHBondContact O-CB 3.02Å; H520-L523 VanDerWaalsContact O-CG 3.32Å; H520-L523 WeakPolarHBondContact O-CG 3.47Å; H520-L523 PolarHBondContact O-N 3.19Å; N521-L523 PolarHBondContact O-N 2.86Å; L523-G525 PolarHBondContact O-N 2.97Å; L523-M526 PolarHBondContact O-N 2.84Å; L523-I527 HydrophobicContact CB-CB 4.25Å; L523-I527 HydrophobicContact CD2-CB 4.21Å; L523-I527 HydrophobicContact CD2-CD1 3.49Å; L523-I527 VanDerWaalsContact CD2-CD1 3.49Å; L523-I527 HydrophobicContact CD2-CG1 4.08Å; L523-I527 PolarHBondContact O-N 2.86Å
524	W	96.6	Very high	93.6	Very high	102 Å²	102	51.8 Å²	51.8	39%	0.386	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	128.5	176.8	-178.6	-95.8	0	0	0	111.3	N521 T522 M526 M695 I720	N521-W524 WeakPolarHBondContact O-CB 3.46Å; N521-W524 PolarHBondContact O-N 3.22Å; N521-W524 VanDerWaalsContact O-N 3.15Å; T522-W524 VanDerWaalsContact C-N 3.33Å; W524-M526 PolarHBondContact O-N 2.88Å; W524-M695 HydrophobicContact CH2-CE 4.26Å; W524-M695 HydrophobicContact CZ2-CE 3.87Å; W524-M695 HydrophobicContact CZ2-SD 4.13Å; W524-I720 HydrophobicContact CD2-CG2 4.16Å; W524-I720 HydrophobicContact CE3-CD1 4.29Å; W524-I720 HydrophobicContact CE3-CG2 4.42Å; W524-I720 HydrophobicContact CH2-CD1 3.64Å; W524-I720 HydrophobicContact CH2-CG2 4.13Å; W524-I720 HydrophobicContact CZ2-CD1 4.38Å; W524-I720 HydrophobicContact CZ2-CG2 3.83Å; W524-I720 HydrophobicContact CZ3-CD1 3.58Å; W524-I720 HydrophobicContact CZ3-CG2 4.41Å
525	G	93.9	Very high	93.6	Very high	5 Å²	5	51.7 Å²	51.7	5%	0.052	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	-12.7	-177.9	0	0	0	0	0	116.4	L523 A545	L523-G525 PolarHBondContact O-N 2.97Å; G525-A545 WeakPolarHBondContact O-CB 3.42Å
526	M	96.1	Very high	93.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-46.8	-174	-56.7	-59.4	-179.9	0	0	112.5	L523 W524 A545 A548 I639 R641 T685	L523-M526 PolarHBondContact O-N 2.84Å; W524-M526 PolarHBondContact O-N 2.88Å; M526-A545 PolarHBondContact O-N 2.87Å; M526-A548 VanDerWaalsContact O-CB 3.29Å; M526-A548 WeakPolarHBondContact O-CB 3.44Å; M526-I639 HydrophobicContact CB-CD1 3.81Å; M526-I639 HydrophobicContact CB-CG1 4.06Å; M526-I639 HydrophobicContact CB-CG2 4.03Å; M526-I639 HydrophobicContact CG-CG1 4.43Å; M526-I639 HydrophobicContact CG-CG2 3.95Å; M526-I639 WeakPolarHBondContact O-CD1 3.32Å; M526-I639 HydrophobicContact SD-CB 4.4Å; M526-I639 HydrophobicContact SD-CG1 3.92Å; M526-I639 HydrophobicContact SD-CG2 3.94Å; M526-R641 HydrophobicContact CE-CB 4.27Å; M526-R641 HydrophobicContact CE-CG 3.75Å; M526-R641 HydrophobicContact SD-CB 4.14Å; M526-R641 HydrophobicContact SD-CG 4.23Å; M526-T685 HydrophobicContact CE-CG2 3.77Å; M526-T685 HydrophobicContact CG-CG2 3.62Å; M526-T685 HydrophobicContact SD-CG2 4.25Å
527	I	96.7	Very high	93.8	Very high	5 Å²	5	49 Å²	49	3%	0.026	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-125.9	139.7	-177.7	-63.1	-179.1	0	0	0	108.7	Y406 L503 L523 K542 N543 I639	Y406-I527 HydrophobicContact CD2-CD1 4.26Å; Y406-I527 HydrophobicContact CE1-CD1 4.14Å; Y406-I527 HydrophobicContact CE2-CD1 3.59Å; L503-I527 HydrophobicContact CD1-CD1 4.38Å; L503-I527 HydrophobicContact CD2-CD1 3.93Å; L503-I527 HydrophobicContact CD2-CG1 4.15Å; L523-I527 HydrophobicContact CB-CB 4.25Å; L523-I527 HydrophobicContact CD2-CB 4.21Å; L523-I527 HydrophobicContact CD2-CD1 3.49Å; L523-I527 VanDerWaalsContact CD2-CD1 3.49Å; L523-I527 HydrophobicContact CD2-CG1 4.08Å; L523-I527 PolarHBondContact O-N 2.86Å; I527-K542 HydrophobicContact CD1-CB 4.41Å; I527-K542 HydrophobicContact CD1-CD 3.78Å; I527-K542 HydrophobicContact CG2-CB 3.62Å; I527-K542 HydrophobicContact CG2-CD 4.21Å; I527-K542 HydrophobicContact CG2-CG 4.45Å; I527-N543 WeakPolarHBondContact CG2-O 3.29Å; I527-I639 HydrophobicContact CG1-CD1 4.49Å
528	C	97	Very high	93.9	Very high	6 Å²	6	50 Å²	50	4%	0.041	27%	0.272	C	S	.	.			trans	-61.7	128.5	177.5	-178.7	0	0	0	0	111.5	A530 E531 N543 G722	C528-A530 VanDerWaalsContact C-N 3.33Å; C528-A530 PolarHBondContact O-N 3.26Å; C528-A530 PolarHBondContact SG-N 3.17Å; C528-E531 HydrophobicContact CB-CB 3.85Å; C528-E531 VanDerWaalsContact SG-CB 3.54Å; C528-E531 PolarHBondContact SG-N 3.33Å; C528-N543 PolarHBondContact N-O 3.48Å; C528-G722 VanDerWaalsContact CB-N 3.34Å; C528-G722 PolarHBondContact SG-N 3.15Å
529	P	95.5	Very high	93.8	Very high	55 Å²	55	44.5 Å²	44.5	36%	0.357	25%	0.248	S	C	.	.	S	Bend	trans	-70.2	-28.1	179.6	26.5	-34.8	0	0	0	113.4	L519 I720	L519-P529 HydrophobicContact CD1-CB 4.26Å; L519-P529 HydrophobicContact CD2-CB 3.91Å; P529-I720 WeakPolarHBondContact CD-O 3.39Å
530	A	94.9	Very high	93.7	Very high	8 Å²	8	39.2 Å²	39.2	7%	0.066	22%	0.221	C	C	.	.	S	Bend	trans	-98.6	-28.8	-174.1	0	0	0	0	0	113.7	C528 T532 A725 N739 T740	C528-A530 VanDerWaalsContact C-N 3.33Å; C528-A530 PolarHBondContact O-N 3.26Å; C528-A530 PolarHBondContact SG-N 3.17Å; A530-T532 PolarHBondContact O-N 3.46Å; A530-A725 HydrophobicContact CB-CB 4.37Å; A530-N739 HydrophobicContact CB-CB 4.01Å; A530-T740 VanDerWaalsContact O-CA 3.27Å; A530-T740 WeakPolarHBondContact O-CA 3.5Å; A530-T740 WeakPolarHBondContact O-CB 3.35Å; A530-T740 WeakPolarHBondContact O-CG2 3.3Å; A530-T740 PolarHBondContact O-OG1 3.16Å; A530-T740 VanDerWaalsContact O-OG1 3.05Å
531	E	95.1	Very high	93.6	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	22%	0.217	C	C	.	.			trans	-85.9	81	-168.1	-165.7	-178.2	156.3	0	0	112.9	S498 C528 N543 I723 C724 K747	S498-E531 WeakPolarHBondContact CB-OE1 3.11Å; S498-E531 PolarHBondContact OG-OE1 2.77Å; C528-E531 HydrophobicContact CB-CB 3.85Å; C528-E531 VanDerWaalsContact SG-CB 3.54Å; C528-E531 PolarHBondContact SG-N 3.33Å; E531-N543 HydrophobicContact CB-CB 4.29Å; E531-N543 HydrophobicContact CG-CB 4.04Å; E531-N543 WeakPolarHBondContact CG-ND2 3.27Å; E531-N543 PolarHBondContact O-ND2 2.9Å; E531-N543 PolarHBondContact OE1-ND2 2.93Å; E531-N543 PolarHBondContact OE1-OD1 3.43Å; E531-I723 PolarHBondContact OE2-N 3.44Å; E531-C724 HydrophobicContact CG-CB 4.27Å; E531-C724 PolarHBondContact OE2-N 2.97Å; E531-K747 VanDerWaalsContact OE1-CE 3.25Å; E531-K747 WeakPolarHBondContact OE1-CE 3.49Å; E531-K747 IonicContact OE1-NZ 3.92Å; E531-K747 PolarHBondContact OE1-NZ 2.99Å
532	T	94.7	Very high	93.5	Very high	26 Å²	26	32.9 Å²	32.9	16%	0.16	19%	0.188	C	C	.	.			trans	-134	147.8	173	-166.2	0	0	0	0	110.4	A530 V538 G539 V541 T740	A530-T532 PolarHBondContact O-N 3.46Å; T532-V538 HydrophobicContact CG2-CG2 4.08Å; T532-G539 PolarHBondContact OG1-N 3Å; T532-V541 PolarHBondContact OG1-O 2.93Å; T532-T740 HydrophobicContact CG2-CG2 3.87Å
533	P	91.2	Very high	93.6	Very high	41 Å²	41	32.2 Å²	32.2	27%	0.266	18%	0.184	S	C	.	.			trans	-67	146	175.9	28	-35	0	0	0	111.7	A537 V541	P533-A537 HydrophobicContact CG-CB 3.96Å; P533-V541 WeakPolarHBondContact CD-O 3.39Å; P533-V541 HydrophobicContact CG-CB 3.82Å; P533-V541 HydrophobicContact CG-CG1 4.26Å; P533-V541 HydrophobicContact CG-CG2 4.5Å
534	E	87.6	Confident	93.6	Very high	95 Å²	95	32.1 Å²	32.1	44%	0.444	18%	0.183	S	C	.	.	S	Bend	trans	-68.7	144.9	165.8	-63.4	170.7	-146.4	0	0	110.4	Y741	E534-Y741 VanDerWaalsContact CD-CD1 3.42Å; E534-Y741 HydrophobicContact CG-CD1 3.89Å; E534-Y741 HydrophobicContact CG-CE1 4.07Å; E534-Y741 WeakPolarHBondContact OE1-CA 3.34Å; E534-Y741 WeakPolarHBondContact OE1-CD1 3.39Å
535	G	87.4	Confident	93.6	Very high	51 Å²	51	27.2 Å²	27.2	53%	0.526	17%	0.165	S	C	.	.	S	Bend	trans	101.4	-150.2	173.1	0	0	0	0	0	115	A537 V538	G535-A537 PolarHBondContact O-N 3.27Å; G535-A537 VanDerWaalsContact O-N 3.08Å; G535-V538 WeakPolarHBondContact O-CB 3.41Å; G535-V538 WeakPolarHBondContact O-CG1 3.49Å; G535-V538 PolarHBondContact O-N 3.17Å; G535-V538 VanDerWaalsContact O-N 3.1Å
536	H	88.3	Confident	93.6	Very high	145 Å²	145	27.1 Å²	27.1	67%	0.671	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-19.1	-169.9	-66.2	-79.8	0	0	0	115.1	R517	R517-H536 PolarHBondContact NH1-O 3.08Å; R517-H536 PolarHBondContact NH2-O 3.06Å
537	A	90.8	Very high	93.6	Very high	16 Å²	16	27.5 Å²	27.5	13%	0.132	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	7.2	-179.6	0	0	0	0	0	113.6	P533 G535 G539 L540 V541	P533-A537 HydrophobicContact CG-CB 3.96Å; G535-A537 PolarHBondContact O-N 3.27Å; G535-A537 VanDerWaalsContact O-N 3.08Å; A537-G539 PolarHBondContact O-N 2.66Å; A537-L540 PolarHBondContact O-N 3.02Å; A537-V541 HydrophobicContact CB-CG2 4.05Å; A537-V541 PolarHBondContact O-N 2.97Å
538	V	93.2	Very high	93.5	Very high	63 Å²	63	27.3 Å²	27.3	38%	0.382	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	129.1	178.6	66.5	0	0	0	0	110.7	R517 T532 G535 L540	R517-V538 WeakPolarHBondContact CB-O 3.41Å; R517-V538 WeakPolarHBondContact CG-O 3.17Å; R517-V538 PolarHBondContact NH1-O 3.47Å; T532-V538 HydrophobicContact CG2-CG2 4.08Å; G535-V538 WeakPolarHBondContact O-CB 3.41Å; G535-V538 WeakPolarHBondContact O-CG1 3.49Å; G535-V538 PolarHBondContact O-N 3.17Å; G535-V538 VanDerWaalsContact O-N 3.1Å; V538-L540 PolarHBondContact O-N 2.76Å
539	G	91.8	Very high	93.4	Very high	10 Å²	10	28.1 Å²	28.1	10%	0.103	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	-13.3	-178.4	0	0	0	0	0	116	R517 T532 A537 K542	R517-G539 WeakPolarHBondContact O-CA 3.04Å; T532-G539 PolarHBondContact OG1-N 3Å; A537-G539 PolarHBondContact O-N 2.66Å; G539-K542 WeakPolarHBondContact O-CE 3.27Å
540	L	92.4	Very high	93.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-34.9	175.8	-60.9	-179.4	0	0	0	112	S505 I507 R509 R517 A537 V538	S505-L540 PolarHBondContact N-O 2.79Å; S505-L540 PolarHBondContact OG-O 3.02Å; I507-L540 HydrophobicContact CB-CD2 4.11Å; I507-L540 HydrophobicContact CD1-CD2 4.3Å; R509-L540 HydrophobicContact CG-CD1 4.34Å; R517-L540 HydrophobicContact CG-CD2 4.1Å; R517-L540 HydrophobicContact CG-CG 4.28Å; R517-L540 VanDerWaalsContact NH1-CD1 3.35Å; A537-L540 PolarHBondContact O-N 3.02Å; V538-L540 PolarHBondContact O-N 2.76Å
541	V	94	Very high	93.4	Very high	15 Å²	15	25.2 Å²	25.2	9%	0.091	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117.8	172.5	176.7	0	0	0	0	107.7	R502 T532 P533 A537	R502-V541 HydrophobicContact CG-CG1 3.65Å; T532-V541 PolarHBondContact OG1-O 2.93Å; P533-V541 WeakPolarHBondContact CD-O 3.39Å; P533-V541 HydrophobicContact CG-CB 3.82Å; P533-V541 HydrophobicContact CG-CG1 4.26Å; P533-V541 HydrophobicContact CG-CG2 4.5Å; A537-V541 HydrophobicContact CB-CG2 4.05Å; A537-V541 PolarHBondContact O-N 2.97Å
542	K	94.9	Very high	93.1	Very high	20 Å²	20	26.8 Å²	26.8	9%	0.087	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	164.7	-177.2	-35.5	178.7	-170.2	148	0	109.5	E215 L503 I527 G539	E215-K542 IonicContact OE1-NZ 2.81Å; E215-K542 IonicContact OE2-NZ 3.28Å; E215-K542 PolarHBondContact OE2-NZ 2.72Å; L503-K542 HydrophobicContact CD1-CB 3.77Å; L503-K542 HydrophobicContact CD1-CD 3.97Å; L503-K542 HydrophobicContact CD1-CG 3.93Å; L503-K542 HydrophobicContact CD2-CB 4.19Å; L503-K542 HydrophobicContact CG-CB 3.87Å; L503-K542 PolarHBondContact N-O 2.86Å; L503-K542 PolarHBondContact O-N 3.48Å; I527-K542 HydrophobicContact CD1-CB 4.41Å; I527-K542 HydrophobicContact CD1-CD 3.78Å; I527-K542 HydrophobicContact CG2-CB 3.62Å; I527-K542 HydrophobicContact CG2-CD 4.21Å; I527-K542 HydrophobicContact CG2-CG 4.45Å; G539-K542 WeakPolarHBondContact O-CE 3.27Å
543	N	96.7	Very high	92.8	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.011	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.3	178	-60.3	-86.1	0	0	0	108.9	S498 I527 C528 E531	S498-N543 PolarHBondContact O-OD1 3.12Å; I527-N543 WeakPolarHBondContact CG2-O 3.29Å; C528-N543 PolarHBondContact N-O 3.48Å; E531-N543 HydrophobicContact CB-CB 4.29Å; E531-N543 HydrophobicContact CG-CB 4.04Å; E531-N543 WeakPolarHBondContact CG-ND2 3.27Å; E531-N543 PolarHBondContact O-ND2 2.9Å; E531-N543 PolarHBondContact OE1-ND2 2.93Å; E531-N543 PolarHBondContact OE1-OD1 3.43Å
544	L	96.7	Very high	92.7	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.031	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-61.5	146	-179.2	-62.8	170.5	0	0	0	111.4	Q60 L411 R501 L503 A548 I550 I639	Q60-L544 HydrophobicContact CG-CD1 4.23Å; L411-L544 HydrophobicContact CD1-CD2 4.35Å; R501-L544 HydrophobicContact CB-CB 4.34Å; R501-L544 HydrophobicContact CB-CD1 4.37Å; R501-L544 PolarHBondContact O-N 3.16Å; R501-L544 VanDerWaalsContact O-N 3.11Å; L503-L544 HydrophobicContact CD2-CD2 3.84Å; L503-L544 HydrophobicContact CD2-CG 4.36Å; L544-A548 HydrophobicContact CB-CB 4.46Å; L544-I550 HydrophobicContact CD1-CD1 3.9Å; L544-I550 HydrophobicContact CD2-CD1 4.16Å; L544-I639 HydrophobicContact CD2-CD1 3.43Å; L544-I639 VanDerWaalsContact CD2-CD1 3.43Å
545	A	96.6	Very high	92.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.161	C	C	.	.			trans	-68.7	163.3	168.9	0	0	0	0	0	110.9	R501 G525 M526 M547 A548 L721	R501-A545 VanDerWaalsContact CZ-O 3.26Å; R501-A545 PolarHBondContact NH1-O 2.81Å; R501-A545 PolarHBondContact NH2-O 3.15Å; G525-A545 WeakPolarHBondContact O-CB 3.42Å; M526-A545 PolarHBondContact O-N 2.87Å; A545-M547 PolarHBondContact O-N 3.11Å; A545-A548 HydrophobicContact CB-CB 4.21Å; A545-A548 PolarHBondContact O-N 3.04Å; A545-L721 CarbonylContact C-O 3.53Å; A545-L721 WeakPolarHBondContact CA-O 3.45Å
546	L	95.1	Very high	92.8	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.016	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-53.7	-169.8	-82.8	-179.1	0	0	0	113.5	F52 R501 M719 L721 I723 S726 L784	F52-L546 HydrophobicContact CZ-CB 4.1Å; R501-L546 PolarHBondContact NH1-O 3.12Å; R501-L546 PolarHBondContact NH2-O 3.02Å; L546-M719 HydrophobicContact CB-SD 4.08Å; L546-M719 HydrophobicContact CD1-CE 3.99Å; L546-M719 HydrophobicContact CD1-SD 4.04Å; L546-M719 PolarHBondContact N-O 2.9Å; L546-L721 WeakPolarHBondContact CG-O 3.42Å; L546-L721 PolarHBondContact N-O 3.21Å; L546-I723 HydrophobicContact CD2-CD1 3.9Å; L546-S726 VanDerWaalsContact CD1-OG 3.3Å; L546-S726 WeakPolarHBondContact CD1-OG 3.46Å; L546-L784 HydrophobicContact CD2-CD2 4.08Å
547	M	94.8	Very high	92.9	Very high	7 Å²	7	21 Å²	21	3%	0.034	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	7.5	-178.6	-63.6	-171.6	84	0	0	114.3	I48 Y51 F52 A545 Y549 P642 W671 I715 M719	I48-M547 HydrophobicContact CG1-SD 4.25Å; Y51-M547 HydrophobicContact CD1-CE 3.83Å; Y51-M547 HydrophobicContact CD1-CG 4.34Å; Y51-M547 HydrophobicContact CD2-CE 3.95Å; Y51-M547 HydrophobicContact CE1-CB 4.35Å; Y51-M547 HydrophobicContact CE1-CE 4.28Å; Y51-M547 HydrophobicContact CE1-CG 4.23Å; Y51-M547 HydrophobicContact CE2-CE 4.38Å; Y51-M547 HydrophobicContact CG-CE 3.65Å; Y51-M547 PolarHBondContact OH-O 3.15Å; F52-M547 HydrophobicContact CE2-CG 4.5Å; F52-M547 HydrophobicContact CZ-CG 4.14Å; A545-M547 PolarHBondContact O-N 3.11Å; M547-Y549 PolarHBondContact O-N 3.28Å; M547-P642 HydrophobicContact CB-CG 4.24Å; M547-P642 HydrophobicContact CE-CG 3.48Å; M547-P642 VanDerWaalsContact CE-CG 3.48Å; M547-P642 VanDerWaalsContact O-CD 3.3Å; M547-P642 WeakPolarHBondContact O-CD 3.2Å; M547-P642 HydrophobicContact SD-CG 4.4Å; M547-W671 HydrophobicContact CE-CH2 4.35Å; M547-I715 HydrophobicContact CE-CD1 3.67Å; M547-I715 HydrophobicContact SD-CD1 4.08Å; M547-M719 HydrophobicContact CB-CB 4.48Å; M547-M719 HydrophobicContact CG-CB 4Å; M547-M719 HydrophobicContact CG-CG 3.86Å; M547-M719 HydrophobicContact CG-SD 3.7Å; M547-M719 HydrophobicContact SD-CB 4.05Å; M547-M719 HydrophobicContact SD-CG 3.57Å; M547-M719 VanDerWaalsContact SD-CG 3.57Å; M547-M719 HydrophobicContact SD-SD 3.94Å
548	A	95.5	Very high	92.8	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.017	14%	0.139	C	C	.	.			trans	-68	122.1	177	0	0	0	0	0	110.6	R501 M526 L544 A545 I639	R501-A548 PolarHBondContact NH2-O 2.9Å; M526-A548 VanDerWaalsContact O-CB 3.29Å; M526-A548 WeakPolarHBondContact O-CB 3.44Å; L544-A548 HydrophobicContact CB-CB 4.46Å; A545-A548 HydrophobicContact CB-CB 4.21Å; A545-A548 PolarHBondContact O-N 3.04Å; A548-I639 HydrophobicContact CB-CD1 4.15Å; A548-I639 HydrophobicContact CB-CG1 4.22Å
549	Y	94.5	Very high	92.7	Very high	22 Å²	22	20.1 Å²	20.1	9%	0.086	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	154.9	175.3	-178.8	-106.9	0	0	0	109.9	M547 E618 I639 C640 Y682	M547-Y549 PolarHBondContact O-N 3.28Å; Y549-E618 HydrophobicContact CE1-CG 4.05Å; Y549-E618 WeakPolarHBondContact CE1-OE1 3.47Å; Y549-E618 VanDerWaalsContact CZ-OE1 3.29Å; Y549-E618 PolarHBondContact OH-OE1 3.32Å; Y549-I639 WeakPolarHBondContact O-CA 3.32Å; Y549-C640 VanDerWaalsContact CD1-SG 3.55Å; Y549-C640 PolarHBondContact N-O 3.48Å; Y549-C640 PolarHBondContact O-N 3.46Å; Y549-Y682 HydrophobicContact CD1-CD1 4.49Å; Y549-Y682 HydrophobicContact CD1-CE1 4.37Å; Y549-Y682 HydrophobicContact CG-CE1 4.32Å
550	I	95.4	Very high	92.7	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.1	179	-58.7	173.5	0	0	0	108.2	Q60 L411 L413 L544 R638	Q60-I550 HydrophobicContact CB-CB 4.21Å; Q60-I550 HydrophobicContact CB-CD1 4.24Å; Q60-I550 HydrophobicContact CB-CG1 4.4Å; Q60-I550 HydrophobicContact CG-CD1 4.18Å; L411-I550 HydrophobicContact CB-CD1 4.46Å; L411-I550 HydrophobicContact CD1-CD1 3.57Å; L411-I550 HydrophobicContact CD1-CG1 4.2Å; L413-I550 HydrophobicContact CD1-CB 3.91Å; L413-I550 HydrophobicContact CD1-CD1 4.05Å; L413-I550 HydrophobicContact CD1-CG2 3.59Å; L413-I550 HydrophobicContact CD2-CD1 3.84Å; L413-I550 HydrophobicContact CG-CD1 4.35Å; L413-I550 HydrophobicContact CG-CG2 4.23Å; L544-I550 HydrophobicContact CD1-CD1 3.9Å; L544-I550 HydrophobicContact CD2-CD1 4.16Å; I550-R638 CarbonylContact C-O 3.58Å; I550-R638 VanDerWaalsContact CA-O 3.24Å; I550-R638 WeakPolarHBondContact CA-O 3.15Å
551	S	94.3	Very high	92.6	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.014	16%	0.156	C	C	.	.			trans	-61.1	137.3	179	65.8	0	0	0	0	111.9	E618 D635 G637 R638	S551-E618 WeakPolarHBondContact CA-OE2 3.39Å; S551-E618 WeakPolarHBondContact CB-OE2 3.43Å; S551-D635 PolarHBondContact OG-O 3.25Å; S551-G637 PolarHBondContact O-N 2.9Å; S551-G637 PolarHBondContact OG-N 3.13Å; S551-G637 VanDerWaalsContact OG-N 3.14Å; S551-R638 PolarHBondContact N-O 3.1Å; S551-R638 WeakPolarHBondContact OG-CB 3.5Å; S551-R638 PolarHBondContact OG-N 2.86Å
552	V	90.3	Very high	92.4	Very high	35 Å²	35	27.9 Å²	27.9	21%	0.212	16%	0.156	C	C	.	.			trans	-86	-21.8	169.2	-68.2	0	0	0	0	112	D63 E67 E618 A636	D63-V552 HydrophobicContact CB-CG1 3.64Å; E67-V552 HydrophobicContact CB-CB 4.47Å; V552-E618 PolarHBondContact N-OE2 3Å; V552-A636 WeakPolarHBondContact O-CB 3.36Å
553	G	88.1	Confident	92.2	Very high	23 Å²	23	27 Å²	27	24%	0.237	15%	0.152	C	C	.	.			trans	90.1	150.1	178.4	0	0	0	0	0	112.9	E618 T634	G553-E618 PolarHBondContact N-OE2 3.28Å; G553-T634 WeakPolarHBondContact CA-O 3.31Å
554	S	87.3	Confident	91.9	Very high	34 Å²	34	32 Å²	32	24%	0.238	18%	0.176	C	C	.	.			trans	-136.5	161.6	-179.4	61.5	0	0	0	0	110.8	T634	S554-T634 PolarHBondContact N-O 3.33Å; S554-T634 WeakPolarHBondContact O-CB 3.43Å; S554-T634 PolarHBondContact O-OG1 3.05Å
555	Q	87.1	Confident	91.6	Very high	103 Å²	103	39.1 Å²	39.1	48%	0.481	21%	0.209	S	C	.	.			trans	-69.9	134.1	178.5	-58.9	-170.5	14.3	0	0	110	S557 P558	Q555-S557 VanDerWaalsContact C-N 3.3Å; Q555-S557 PolarHBondContact O-N 3.02Å; Q555-P558 WeakPolarHBondContact O-CD 3.37Å
556	P	90.3	Very high	91	Very high	21 Å²	21	43.6 Å²	43.6	14%	0.136	23%	0.226	C	C	.	.	S	Bend	trans	-76.8	-13.5	179.5	29.9	-34.9	0	0	0	113.7	I559 L560 V587	P556-I559 WeakPolarHBondContact O-CB 3.48Å; P556-I559 PolarHBondContact O-N 3.37Å; P556-L560 PolarHBondContact O-N 3.27Å; P556-V587 HydrophobicContact CB-CG1 3.83Å
557	S	90	Very high	90.5	Very high	55 Å²	55	47.3 Å²	47.3	39%	0.385	25%	0.252	S	S	.	.	H	α-helix	trans	-52.3	-47.5	-172.6	-43.7	0	0	0	0	114.8	Q555 I559 L560 E561	Q555-S557 VanDerWaalsContact C-N 3.3Å; Q555-S557 PolarHBondContact O-N 3.02Å; S557-I559 PolarHBondContact O-N 3.22Å; S557-L560 WeakPolarHBondContact O-CB 3.39Å; S557-L560 PolarHBondContact O-N 2.98Å; S557-L560 VanDerWaalsContact O-N 3.08Å; S557-E561 PolarHBondContact O-N 2.89Å
558	P	90.5	Very high	90.2	Very high	55 Å²	55	47.6 Å²	47.6	36%	0.357	25%	0.254	S	S	.	.	H	α-helix	trans	-63.3	-29.2	179.5	-21.4	34.4	0	0	0	113.3	Q555 F562 V614	Q555-P558 WeakPolarHBondContact O-CD 3.37Å; P558-F562 WeakPolarHBondContact O-CB 3.43Å; P558-F562 PolarHBondContact O-N 3.15Å; P558-F562 VanDerWaalsContact O-N 3.14Å; P558-V614 HydrophobicContact CB-CG1 3.7Å
559	I	90.2	Very high	89.9	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-75.3	-37.6	176.7	-61.3	167.6	0	0	0	110.1	P556 S557 F562 L563 V619 I632 T634	P556-I559 WeakPolarHBondContact O-CB 3.48Å; P556-I559 PolarHBondContact O-N 3.37Å; S557-I559 PolarHBondContact O-N 3.22Å; I559-F562 PolarHBondContact O-N 3.27Å; I559-L563 HydrophobicContact CG2-CD1 3.97Å; I559-L563 HydrophobicContact CG2-CG 4.31Å; I559-L563 WeakPolarHBondContact O-CB 3.42Å; I559-L563 WeakPolarHBondContact O-CG 3.3Å; I559-L563 PolarHBondContact O-N 2.88Å; I559-V619 HydrophobicContact CD1-CG1 3.92Å; I559-V619 HydrophobicContact CD1-CG2 4.02Å; I559-I632 HydrophobicContact CD1-CG2 4.46Å; I559-I632 HydrophobicContact CG2-CD1 4.29Å; I559-I632 HydrophobicContact CG2-CG2 4.42Å; I559-T634 HydrophobicContact CD1-CG2 3.36Å
560	L	91.1	Very high	89.6	Confident	48 Å²	48	52.9 Å²	52.9	25%	0.251	28%	0.28	S	S	.	.	H	α-helix	trans	-64.1	-46.9	176.7	-64.8	172.4	0	0	0	110.8	P556 S557 F562 L563 E564 V587 V592	P556-L560 PolarHBondContact O-N 3.27Å; S557-L560 WeakPolarHBondContact O-CB 3.39Å; S557-L560 PolarHBondContact O-N 2.98Å; S557-L560 VanDerWaalsContact O-N 3.08Å; L560-F562 VanDerWaalsContact C-N 3.34Å; L560-F562 PolarHBondContact O-N 3.42Å; L560-L563 PolarHBondContact O-N 3.09Å; L560-E564 WeakPolarHBondContact O-CG 3.19Å; L560-E564 PolarHBondContact O-N 3.08Å; L560-V587 HydrophobicContact CD2-CB 4.05Å; L560-V587 HydrophobicContact CD2-CG1 4.16Å; L560-V587 HydrophobicContact CD2-CG2 3.96Å; L560-V592 HydrophobicContact CD2-CG1 3.66Å; L560-V592 HydrophobicContact CD2-CG2 4.07Å
561	E	91.1	Very high	89	Confident	119 Å²	119	53 Å²	53	56%	0.556	28%	0.28	S	S	*	.	H	α-helix	trans	-56	-49	174.9	-71.1	171.5	-173	0	0	111	S557 L563 E564 E565	S557-E561 PolarHBondContact O-N 2.89Å; E561-L563 VanDerWaalsContact C-N 3.34Å; E561-L563 PolarHBondContact O-N 3.29Å; E561-E564 PolarHBondContact O-N 3.34Å; E561-E565 WeakPolarHBondContact O-CG 3.39Å; E561-E565 PolarHBondContact O-N 2.77Å; E561-E565 VanDerWaalsContact O-N 3.09Å
562	F	90.4	Very high	88.5	Confident	22 Å²	22	57.1 Å²	57.1	10%	0.096	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-40.9	177.3	178.3	-94.7	0	0	0	113.4	P558 I559 L560 E565 W566 T604 L605 L608	P558-F562 WeakPolarHBondContact O-CB 3.43Å; P558-F562 PolarHBondContact O-N 3.15Å; P558-F562 VanDerWaalsContact O-N 3.14Å; I559-F562 PolarHBondContact O-N 3.27Å; L560-F562 VanDerWaalsContact C-N 3.34Å; L560-F562 PolarHBondContact O-N 3.42Å; F562-E565 PolarHBondContact O-N 2.7Å; F562-W566 AromaticContact CD2-CD1 3.95Å; F562-W566 AromaticContact CE1-CD1 3.71Å; F562-W566 HydrophobicContact CE1-CG 4.18Å; F562-W566 AromaticContact CE2-CD1 3.33Å; F562-W566 HydrophobicContact CE2-CG 4.43Å; F562-W566 AromaticContact CE2-NE1 3.24Å; F562-W566 AromaticContact CZ-CD1 3.16Å; F562-W566 HydrophobicContact CZ-CD2 4.38Å; F562-W566 AromaticContact CZ-CE2 3.98Å; F562-W566 AromaticContact CZ-CG 3.91Å; F562-W566 HydrophobicContact CZ-CG 3.91Å; F562-W566 AromaticContact CZ-NE1 3.2Å; F562-W566 PolarHBondContact O-N 2.7Å; F562-T604 HydrophobicContact CZ-CG2 4.02Å; F562-L605 HydrophobicContact CD1-CD2 3.9Å; F562-L605 HydrophobicContact CE1-CD2 3.62Å; F562-L605 HydrophobicContact CE1-CG 4.49Å; F562-L608 HydrophobicContact CD1-CD1 4.38Å; F562-L608 HydrophobicContact CD2-CD1 4.08Å; F562-L608 HydrophobicContact CE1-CD1 3.7Å; F562-L608 HydrophobicContact CE2-CD1 3.32Å; F562-L608 HydrophobicContact CZ-CD1 3.11Å
563	L	91.1	Very high	88.2	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-69.7	-37.3	179.6	-69.7	168.8	0	0	0	111.8	I559 L560 E561 E565 W566 M568 I585 V587 L601 L605 I632	I559-L563 HydrophobicContact CG2-CD1 3.97Å; I559-L563 HydrophobicContact CG2-CG 4.31Å; I559-L563 WeakPolarHBondContact O-CB 3.42Å; I559-L563 WeakPolarHBondContact O-CG 3.3Å; I559-L563 PolarHBondContact O-N 2.88Å; L560-L563 PolarHBondContact O-N 3.09Å; E561-L563 VanDerWaalsContact C-N 3.34Å; E561-L563 PolarHBondContact O-N 3.29Å; L563-E565 VanDerWaalsContact C-N 3.32Å; L563-W566 PolarHBondContact O-N 3.3Å; L563-M568 HydrophobicContact CB-CE 3.27Å; L563-M568 HydrophobicContact CD1-CE 4.16Å; L563-M568 HydrophobicContact CG-CE 4.33Å; L563-M568 WeakPolarHBondContact O-CB 3.42Å; L563-M568 PolarHBondContact O-N 3.18Å; L563-I585 HydrophobicContact CD1-CG2 4.17Å; L563-V587 HydrophobicContact CD1-CG2 3.82Å; L563-L601 HydrophobicContact CD2-CD1 4.11Å; L563-L601 HydrophobicContact CD2-CD2 4.22Å; L563-L605 HydrophobicContact CD2-CD1 4.46Å; L563-L605 HydrophobicContact CD2-CD2 4.48Å; L563-I632 HydrophobicContact CD1-CD1 4.13Å
564	E	89.7	Confident	87.9	Confident	109 Å²	109	62.5 Å²	62.5	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-38.3	175.4	-73.8	177.9	-174.5	0	0	111.4	L560 E561 W566 M568	L560-E564 WeakPolarHBondContact O-CG 3.19Å; L560-E564 PolarHBondContact O-N 3.08Å; E561-E564 PolarHBondContact O-N 3.34Å; E564-W566 VanDerWaalsContact C-N 3.34Å; E564-W566 PolarHBondContact O-N 3.37Å; E564-M568 HydrophobicContact CG-CE 4.24Å
565	E	89.4	Confident	87.6	Confident	155 Å²	155	63.5 Å²	63.5	72%	0.724	33%	0.327	S	S	*	.	H	α-helix	trans	-64.9	-35.5	173.6	-70.1	177	179.1	0	0	112.7	E561 F562 L563 S567	E561-E565 WeakPolarHBondContact O-CG 3.39Å; E561-E565 PolarHBondContact O-N 2.77Å; E561-E565 VanDerWaalsContact O-N 3.09Å; F562-E565 PolarHBondContact O-N 2.7Å; L563-E565 VanDerWaalsContact C-N 3.32Å; E565-S567 VanDerWaalsContact C-N 3.31Å; E565-S567 PolarHBondContact O-N 3.1Å; E565-S567 VanDerWaalsContact O-N 3.14Å
566	W	85.7	Confident	87.2	Confident	93 Å²	93	59.6 Å²	59.6	35%	0.352	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	47	-176	-88.7	86.1	0	0	0	114.7	F562 L563 E564 M568 H595 H600 L601 T604	F562-W566 AromaticContact CD2-CD1 3.95Å; F562-W566 AromaticContact CE1-CD1 3.71Å; F562-W566 HydrophobicContact CE1-CG 4.18Å; F562-W566 AromaticContact CE2-CD1 3.33Å; F562-W566 HydrophobicContact CE2-CG 4.43Å; F562-W566 AromaticContact CE2-NE1 3.24Å; F562-W566 AromaticContact CZ-CD1 3.16Å; F562-W566 HydrophobicContact CZ-CD2 4.38Å; F562-W566 AromaticContact CZ-CE2 3.98Å; F562-W566 AromaticContact CZ-CG 3.91Å; F562-W566 HydrophobicContact CZ-CG 3.91Å; F562-W566 AromaticContact CZ-NE1 3.2Å; F562-W566 PolarHBondContact O-N 2.7Å; L563-W566 PolarHBondContact O-N 3.3Å; E564-W566 VanDerWaalsContact C-N 3.34Å; E564-W566 PolarHBondContact O-N 3.37Å; W566-M568 PolarHBondContact O-N 3.44Å; W566-M568 VanDerWaalsContact O-N 3.11Å; W566-H595 PolarHBondContact O-NE2 2.95Å; W566-H600 AromaticContact CZ3-CD2 3.89Å; W566-H600 AromaticContact CZ3-NE2 3.65Å; W566-L601 HydrophobicContact CB-CD1 4.35Å; W566-T604 HydrophobicContact CH2-CG2 4.29Å; W566-T604 HydrophobicContact CZ2-CG2 3.94Å
567	S	84.2	Confident	86.7	Confident	81 Å²	81	63.4 Å²	63.4	57%	0.566	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	29	173.3	66.1	0	0	0	0	115.1	E565 H595	E565-S567 VanDerWaalsContact C-N 3.31Å; E565-S567 PolarHBondContact O-N 3.1Å; E565-S567 VanDerWaalsContact O-N 3.14Å; S567-H595 PolarHBondContact OG-NE2 3.14Å
568	M	87.7	Confident	86.3	Confident	14 Å²	14	62.7 Å²	62.7	7%	0.069	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-71.2	126.6	167.2	-172.3	-129.3	-59.4	0	0	109.2	L563 E564 W566 I585 V592	L563-M568 HydrophobicContact CB-CE 3.27Å; L563-M568 HydrophobicContact CD1-CE 4.16Å; L563-M568 HydrophobicContact CG-CE 4.33Å; L563-M568 WeakPolarHBondContact O-CB 3.42Å; L563-M568 PolarHBondContact O-N 3.18Å; E564-M568 HydrophobicContact CG-CE 4.24Å; W566-M568 PolarHBondContact O-N 3.44Å; W566-M568 VanDerWaalsContact O-N 3.11Å; M568-I585 HydrophobicContact CG-CD1 4.1Å; M568-V592 HydrophobicContact CE-CB 4.2Å; M568-V592 HydrophobicContact CE-CG1 3.98Å; M568-V592 HydrophobicContact SD-CB 4.21Å; M568-V592 HydrophobicContact SD-CG1 4.28Å
569	E	88.8	Confident	86	Confident	96 Å²	96	60.1 Å²	60.1	45%	0.449	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	124.9	173.7	-63.6	176.1	-176.1	0	0	109.6	I574 G593 I594	E569-I574 HydrophobicContact CB-CG2 3.7Å; E569-G593 CarbonylContact O-C 3.49Å; E569-G593 WeakPolarHBondContact O-CA 3.47Å; E569-I594 HydrophobicContact CB-CG1 3.91Å; E569-I594 PolarHBondContact N-O 2.88Å; E569-I594 PolarHBondContact O-N 3.48Å
570	N	88.4	Confident	85.5	Confident	38 Å²	38	62.1 Å²	62.1	20%	0.203	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	143.5	179.8	-84.5	-36.8	0	0	0	111.8	E572 E573 I574	N570-E572 PolarHBondContact O-N 3.42Å; N570-E573 HydrophobicContact CB-CG 4.33Å; N570-E573 PolarHBondContact O-N 2.92Å; N570-I574 WeakPolarHBondContact O-CG2 3.41Å
571	L	83.8	Confident	85.1	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.021	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.1	-175.9	-163	70.4	0	0	0	114.4	R378 Y381 I574 W591	R378-L571 HydrophobicContact CB-CD2 4.44Å; Y381-L571 HydrophobicContact CD1-CD1 4.32Å; Y381-L571 HydrophobicContact CD2-CD1 4.29Å; Y381-L571 HydrophobicContact CD2-CD2 3.83Å; Y381-L571 HydrophobicContact CD2-CG 3.67Å; Y381-L571 HydrophobicContact CE2-CG 4.1Å; Y381-L571 WeakPolarHBondContact CE2-O 3.39Å; Y381-L571 HydrophobicContact CG-CD1 4.1Å; Y381-L571 HydrophobicContact CG-CD2 3.88Å; Y381-L571 HydrophobicContact CG-CG 3.91Å; L571-I574 HydrophobicContact CD1-CD1 3.88Å; L571-I574 WeakPolarHBondContact O-CG1 3.27Å; L571-W591 HydrophobicContact CD1-CD2 3.78Å; L571-W591 VanDerWaalsContact CD1-CE2 3.45Å; L571-W591 HydrophobicContact CD1-CE3 4.19Å; L571-W591 HydrophobicContact CD1-CG 4.33Å; L571-W591 HydrophobicContact CD1-CH2 4.01Å; L571-W591 HydrophobicContact CD1-CZ2 3.57Å; L571-W591 HydrophobicContact CD1-CZ3 4.3Å; L571-W591 HydrophobicContact CD2-CD2 4.28Å; L571-W591 HydrophobicContact CD2-CE3 4.4Å; L571-W591 HydrophobicContact CD2-CG 4.43Å
572	E	83.9	Confident	85	Confident	89 Å²	89	65 Å²	65	42%	0.416	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-18.2	179.7	-70.8	170.9	169.1	0	0	113.2	R378 N570	R378-E572 HydrophobicContact CG-CG 4.17Å; R378-E572 WeakPolarHBondContact CG-OE1 3.28Å; R378-E572 IonicContact CZ-OE1 3.65Å; R378-E572 IonicContact CZ-OE2 2.71Å; R378-E572 VanDerWaalsContact NE-CD 3.27Å; R378-E572 IonicContact NE-OE1 2.83Å; R378-E572 PolarHBondContact NE-OE1 3.05Å; R378-E572 IonicContact NE-OE2 3.46Å; R378-E572 VanDerWaalsContact NH2-CD 3.35Å; R378-E572 IonicContact NH2-OE1 3.28Å; R378-E572 PolarHBondContact NH2-OE1 3.18Å; R378-E572 IonicContact NH2-OE2 3.38Å; R378-E572 PolarHBondContact NH2-OE2 3.46Å; N570-E572 PolarHBondContact O-N 3.42Å
573	E	83.5	Confident	85.1	Confident	154 Å²	154	64.1 Å²	64.1	72%	0.72	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-13.5	-174.1	-64.2	175.2	-175.2	0	0	112.8	N570	N570-E573 HydrophobicContact CB-CG 4.33Å; N570-E573 PolarHBondContact O-N 2.92Å
574	I	82.1	Confident	85.3	Confident	16 Å²	16	65 Å²	65	8%	0.082	35%	0.351	C	S	.	.	S	Bend	trans	-91.3	143.8	-170.5	59.9	166.6	0	0	0	113.2	Y381 E569 N570 L571 I579 I594	Y381-I574 PolarHBondContact OH-O 3.36Å; E569-I574 HydrophobicContact CB-CG2 3.7Å; N570-I574 WeakPolarHBondContact O-CG2 3.41Å; L571-I574 HydrophobicContact CD1-CD1 3.88Å; L571-I574 WeakPolarHBondContact O-CG1 3.27Å; I574-I579 HydrophobicContact CD1-CD1 3.73Å; I574-I579 HydrophobicContact CD1-CG1 3.64Å; I574-I594 HydrophobicContact CB-CD1 4.2Å; I574-I594 HydrophobicContact CD1-CD1 3.82Å; I574-I594 HydrophobicContact CD1-CG1 4.17Å; I574-I594 HydrophobicContact CD1-CG2 4.16Å; I574-I594 HydrophobicContact CG2-CD1 3.69Å; I574-I594 HydrophobicContact CG2-CG1 3.99Å
575	A	80.8	Confident	85.5	Confident	56 Å²	56	59.8 Å²	59.8	46%	0.463	33%	0.327	S	S	.	.			trans	-76.9	130.8	165.1	0	0	0	0	0	109.7	S577 A578	A575-S577 PolarHBondContact O-N 3.38Å; A575-A578 WeakPolarHBondContact O-CB 3.44Å; A575-A578 PolarHBondContact O-N 3.41Å
576	P	79.5	Confident	85.8	Confident	20 Å²	20	52.7 Å²	52.7	13%	0.13	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-53.2	-30.3	-178.9	-27.9	32.4	0	0	0	114.8	E304 Y381 A578 I579	E304-P576 HydrophobicContact CB-CB 3.82Å; E304-P576 HydrophobicContact CB-CG 4.1Å; Y381-P576 HydrophobicContact CE1-CG 4.44Å; P576-A578 PolarHBondContact O-N 3.11Å; P576-I579 WeakPolarHBondContact O-CB 3.44Å; P576-I579 PolarHBondContact O-N 2.89Å
577	S	78.8	Confident	86.2	Confident	102 Å²	102	48.5 Å²	48.5	71%	0.713	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-64.2	-22.1	178	54.2	0	0	0	0	114.4	A575	A575-S577 PolarHBondContact O-N 3.38Å
578	A	82.1	Confident	86.6	Confident	40 Å²	40	45.1 Å²	45.1	33%	0.331	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-78.6	-25.3	178.3	0	0	0	0	0	112.6	A575 P576 G580 K581 T582	A575-A578 WeakPolarHBondContact O-CB 3.44Å; A575-A578 PolarHBondContact O-N 3.41Å; P576-A578 PolarHBondContact O-N 3.11Å; A578-G580 PolarHBondContact O-N 3.2Å; A578-K581 PolarHBondContact O-N 3.04Å; A578-T582 PolarHBondContact O-OG1 3.13Å
579	I	84.9	Confident	86.8	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-29.1	-173.8	-60.2	173.2	0	0	0	112.3	Y308 Y381 I574 P576 K581 K584 W591	Y308-I579 HydrophobicContact CD1-CB 4.07Å; Y308-I579 HydrophobicContact CD1-CD1 4.31Å; Y308-I579 HydrophobicContact CD1-CG2 3.69Å; Y308-I579 HydrophobicContact CD2-CG2 4.28Å; Y308-I579 HydrophobicContact CE1-CD1 4.39Å; Y308-I579 HydrophobicContact CE1-CG2 4.02Å; Y308-I579 HydrophobicContact CG-CB 4.35Å; Y308-I579 HydrophobicContact CG-CG2 3.84Å; Y381-I579 HydrophobicContact CD1-CD1 4.29Å; Y381-I579 HydrophobicContact CE1-CD1 3.76Å; I574-I579 HydrophobicContact CD1-CD1 3.73Å; I574-I579 HydrophobicContact CD1-CG1 3.64Å; P576-I579 WeakPolarHBondContact O-CB 3.44Å; P576-I579 PolarHBondContact O-N 2.89Å; I579-K581 PolarHBondContact O-N 3.48Å; I579-K584 HydrophobicContact CG2-CD 4.38Å; I579-K584 HydrophobicContact CG2-CG 4.41Å; I579-W591 HydrophobicContact CD1-CH2 4.06Å; I579-W591 HydrophobicContact CD1-CZ2 4.28Å; I579-W591 HydrophobicContact CG2-CH2 4.15Å; I579-W591 HydrophobicContact CG2-CZ2 4.08Å
580	G	79.6	Confident	87	Confident	48 Å²	48	41.6 Å²	41.6	50%	0.495	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.1	-178.2	0	0	0	0	0	114.1	A578	A578-G580 PolarHBondContact O-N 3.2Å
581	K	82.5	Confident	87.3	Confident	206 Å²	206	40 Å²	40	90%	0.896	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-11.7	-177.1	-66	-176.6	-178.2	178	0	114	A578 I579	A578-K581 PolarHBondContact O-N 3.04Å; I579-K581 PolarHBondContact O-N 3.48Å
582	T	89	Confident	87.7	Confident	22 Å²	22	40.8 Å²	40.8	14%	0.135	24%	0.238	C	C	.	.	S	Bend	trans	-103.2	159.5	-176.5	55.1	0	0	0	0	111.6	A578 I594	A578-T582 PolarHBondContact O-OG1 3.13Å; T582-I594 HydrophobicContact CG2-CD1 4.21Å; T582-I594 WeakPolarHBondContact OG1-CD1 3.31Å
583	C	92.3	Very high	88.1	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	135.7	177.1	-175.6	0	0	0	0	110.2	I594 H595 P598 Q628	C583-I594 CarbonylContact O-C 3.58Å; C583-I594 VanDerWaalsContact O-CA 3.24Å; C583-I594 WeakPolarHBondContact O-CA 3.49Å; C583-H595 PolarHBondContact N-O 2.84Å; C583-H595 PolarHBondContact O-N 3.28Å; C583-P598 HydrophobicContact CB-CB 3.76Å; C583-P598 HydrophobicContact CB-CG 3.85Å; C583-Q628 WeakPolarHBondContact CA-O 3.46Å; C583-Q628 VanDerWaalsContact SG-C 3.54Å; C583-Q628 PolarHBondContact SG-O 3.18Å; C583-Q628 VanDerWaalsContact SG-O 3.34Å
584	K	93.9	Very high	88.5	Confident	18 Å²	18	29.2 Å²	29.2	8%	0.078	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	131.4	177.8	-68.7	170	-91.8	-73.7	0	110.4	I579 F586 W591 I594 Q628 E629 I630	I579-K584 HydrophobicContact CG2-CD 4.38Å; I579-K584 HydrophobicContact CG2-CG 4.41Å; K584-F586 HydrophobicContact CB-CD2 4.48Å; K584-F586 HydrophobicContact CB-CE2 3.77Å; K584-F586 HydrophobicContact CB-CZ 4.46Å; K584-W591 HydrophobicContact CD-CH2 4.18Å; K584-W591 HydrophobicContact CD-CZ2 3.8Å; K584-W591 HydrophobicContact CG-CZ2 3.71Å; K584-I594 HydrophobicContact CG-CG2 4.38Å; K584-Q628 PolarHBondContact N-O 3.43Å; K584-E629 HydrophobicContact CB-CG 4.38Å; K584-E629 CarbonylContact O-C 3.53Å; K584-E629 WeakPolarHBondContact O-CA 3.38Å; K584-I630 PolarHBondContact O-N 2.77Å
585	I	94.7	Very high	89	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.5	179	-61.1	170.6	0	0	0	110.1	L563 M568 V592 G593 H595 L601 I630	L563-I585 HydrophobicContact CD1-CG2 4.17Å; M568-I585 HydrophobicContact CG-CD1 4.1Å; I585-V592 PolarHBondContact O-N 2.75Å; I585-G593 PolarHBondContact N-O 3.27Å; I585-H595 HydrophobicContact CD1-CB 3.53Å; I585-H595 HydrophobicContact CG1-CB 4.36Å; I585-L601 HydrophobicContact CD1-CD2 3.64Å; I585-I630 CarbonylContact C-O 3.32Å; I585-I630 WeakPolarHBondContact CA-O 3.2Å; I585-I630 HydrophobicContact CG1-CB 4.33Å
586	F	95.3	Very high	89.4	Confident	6 Å²	6	30.1 Å²	30.1	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.8	175.5	-63.7	-97.2	0	0	0	111	F382 Y385 K584 C590 W591 E629 I630 R631 I632	F382-F586 HydrophobicContact CE2-CE1 4.34Å; Y385-F586 HydrophobicContact CD1-CE1 4.25Å; Y385-F586 HydrophobicContact CD1-CZ 4.22Å; Y385-F586 HydrophobicContact CD2-CZ 4.3Å; Y385-F586 AromaticContact CE1-CE1 3.94Å; Y385-F586 HydrophobicContact CE1-CE1 3.94Å; Y385-F586 AromaticContact CE1-CZ 3.81Å; Y385-F586 HydrophobicContact CE1-CZ 3.81Å; Y385-F586 AromaticContact CE2-CZ 3.89Å; Y385-F586 HydrophobicContact CE2-CZ 3.89Å; Y385-F586 HydrophobicContact CG-CZ 4.44Å; Y385-F586 AromaticContact CZ-CZ 3.61Å; K584-F586 HydrophobicContact CB-CD2 4.48Å; K584-F586 HydrophobicContact CB-CE2 3.77Å; K584-F586 HydrophobicContact CB-CZ 4.46Å; F586-C590 CarbonylContact C-O 3.52Å; F586-C590 WeakPolarHBondContact CA-O 3.3Å; F586-W591 HydrophobicContact CD1-CB 3.89Å; F586-W591 HydrophobicContact CD1-CG 4.5Å; F586-W591 HydrophobicContact CE1-CB 3.6Å; F586-W591 HydrophobicContact CE1-CG 4.01Å; F586-W591 HydrophobicContact CZ-CB 4.27Å; F586-W591 HydrophobicContact CZ-CD2 4.48Å; F586-W591 HydrophobicContact CZ-CG 4.18Å; F586-E629 HydrophobicContact CE2-CB 4.39Å; F586-E629 HydrophobicContact CE2-CG 4.09Å; F586-I630 PolarHBondContact N-O 2.96Å; F586-R631 HydrophobicContact CB-CG 4.26Å; F586-R631 HydrophobicContact CD2-CG 4.27Å; F586-I632 PolarHBondContact O-N 2.93Å
587	V	93.9	Very high	90	Very high	6 Å²	6	32.2 Å²	32.2	4%	0.036	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.3	171.3	179	0	0	0	0	108.5	P556 L560 L563 G589 C590 V592 I632	P556-V587 HydrophobicContact CB-CG1 3.83Å; L560-V587 HydrophobicContact CD2-CB 4.05Å; L560-V587 HydrophobicContact CD2-CG1 4.16Å; L560-V587 HydrophobicContact CD2-CG2 3.96Å; L563-V587 HydrophobicContact CD1-CG2 3.82Å; V587-G589 PolarHBondContact O-N 3.44Å; V587-C590 PolarHBondContact N-O 3.27Å; V587-C590 WeakPolarHBondContact O-CB 3.49Å; V587-C590 PolarHBondContact O-N 3.34Å; V587-V592 HydrophobicContact CB-CG2 3.77Å; V587-V592 HydrophobicContact CG2-CG2 3.61Å; V587-I632 CarbonylContact C-O 3.49Å; V587-I632 WeakPolarHBondContact CA-O 3.46Å; V587-I632 HydrophobicContact CG2-CB 4.24Å; V587-I632 HydrophobicContact CG2-CD1 4.41Å
588	N	93	Very high	90.7	Very high	9 Å²	9	27.9 Å²	27.9	5%	0.048	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	33.9	-172.8	-65.7	-26.8	0	0	0	114	N220 E243 C590 I632 Y633 T634 D635	N220-N588 WeakPolarHBondContact CB-O 3.43Å; E243-N588 WeakPolarHBondContact OE1-CB 3.4Å; E243-N588 PolarHBondContact OE1-ND2 3.36Å; E243-N588 PolarHBondContact OE2-ND2 3.29Å; N588-C590 VanDerWaalsContact C-N 3.28Å; N588-C590 PolarHBondContact O-N 3.15Å; N588-I632 PolarHBondContact N-O 3.21Å; N588-Y633 WeakPolarHBondContact OD1-CA 3.45Å; N588-T634 PolarHBondContact ND2-OG1 3.01Å; N588-T634 PolarHBondContact OD1-N 2.81Å; N588-D635 PolarHBondContact OD1-N 2.94Å
589	G	91.8	Very high	91.1	Very high	7 Å²	7	30.8 Å²	30.8	7%	0.072	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-4.9	-178.5	0	0	0	0	0	115.3	N220 F382 V587	N220-G589 VanDerWaalsContact O-CA 3.28Å; N220-G589 WeakPolarHBondContact O-CA 3.29Å; F382-G589 VanDerWaalsContact CE2-O 3.25Å; F382-G589 WeakPolarHBondContact CE2-O 3.35Å; V587-G589 PolarHBondContact O-N 3.44Å
590	C	93.3	Very high	91.5	Very high	30 Å²	30	36.4 Å²	36.4	20%	0.203	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	130.1	169.1	-168.9	0	0	0	0	109.7	F586 V587 N588 V592	F586-C590 CarbonylContact C-O 3.52Å; F586-C590 WeakPolarHBondContact CA-O 3.3Å; V587-C590 PolarHBondContact N-O 3.27Å; V587-C590 WeakPolarHBondContact O-CB 3.49Å; V587-C590 PolarHBondContact O-N 3.34Å; N588-C590 VanDerWaalsContact C-N 3.28Å; N588-C590 PolarHBondContact O-N 3.15Å; C590-V592 WeakPolarHBondContact O-CG2 3.46Å; C590-V592 PolarHBondContact O-N 2.72Å
591	W	94.3	Very high	92.1	Very high	5 Å²	5	34.2 Å²	34.2	2%	0.019	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	107.1	173.2	-174.6	4	0	0	0	108.8	Y308 Y381 F382 L571 I579 K584 F586 G593 I594	Y308-W591 HydrophobicContact CE1-CH2 4.12Å; Y381-W591 HydrophobicContact CD1-CH2 4.25Å; Y381-W591 HydrophobicContact CD1-CZ3 4.2Å; Y381-W591 HydrophobicContact CG-CZ3 4.48Å; F382-W591 HydrophobicContact CD2-CB 4.33Å; L571-W591 HydrophobicContact CD1-CD2 3.78Å; L571-W591 VanDerWaalsContact CD1-CE2 3.45Å; L571-W591 HydrophobicContact CD1-CE3 4.19Å; L571-W591 HydrophobicContact CD1-CG 4.33Å; L571-W591 HydrophobicContact CD1-CH2 4.01Å; L571-W591 HydrophobicContact CD1-CZ2 3.57Å; L571-W591 HydrophobicContact CD1-CZ3 4.3Å; L571-W591 HydrophobicContact CD2-CD2 4.28Å; L571-W591 HydrophobicContact CD2-CE3 4.4Å; L571-W591 HydrophobicContact CD2-CG 4.43Å; I579-W591 HydrophobicContact CD1-CH2 4.06Å; I579-W591 HydrophobicContact CD1-CZ2 4.28Å; I579-W591 HydrophobicContact CG2-CH2 4.15Å; I579-W591 HydrophobicContact CG2-CZ2 4.08Å; K584-W591 HydrophobicContact CD-CH2 4.18Å; K584-W591 HydrophobicContact CD-CZ2 3.8Å; K584-W591 HydrophobicContact CG-CZ2 3.71Å; F586-W591 HydrophobicContact CD1-CB 3.89Å; F586-W591 HydrophobicContact CD1-CG 4.5Å; F586-W591 HydrophobicContact CE1-CB 3.6Å; F586-W591 HydrophobicContact CE1-CG 4.01Å; F586-W591 HydrophobicContact CZ-CB 4.27Å; F586-W591 HydrophobicContact CZ-CD2 4.48Å; F586-W591 HydrophobicContact CZ-CG 4.18Å; W591-G593 PolarHBondContact NE1-O 2.97Å; W591-I594 HydrophobicContact CZ2-CG2 4.26Å
592	V	92.3	Very high	92.5	Very high	20 Å²	20	24.6 Å²	24.6	12%	0.121	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-46.6	-172	-147.1	0	0	0	0	111.1	L560 M568 I585 V587 C590	L560-V592 HydrophobicContact CD2-CG1 3.66Å; L560-V592 HydrophobicContact CD2-CG2 4.07Å; M568-V592 HydrophobicContact CE-CB 4.2Å; M568-V592 HydrophobicContact CE-CG1 3.98Å; M568-V592 HydrophobicContact SD-CB 4.21Å; M568-V592 HydrophobicContact SD-CG1 4.28Å; I585-V592 PolarHBondContact O-N 2.75Å; V587-V592 HydrophobicContact CB-CG2 3.77Å; V587-V592 HydrophobicContact CG2-CG2 3.61Å; C590-V592 WeakPolarHBondContact O-CG2 3.46Å; C590-V592 PolarHBondContact O-N 2.72Å
593	G	92.2	Very high	92.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.5	-162.3	-177.3	0	0	0	0	0	113.2	E569 I585 W591	E569-G593 CarbonylContact O-C 3.49Å; E569-G593 WeakPolarHBondContact O-CA 3.47Å; I585-G593 PolarHBondContact N-O 3.27Å; W591-G593 PolarHBondContact NE1-O 2.97Å
594	I	92.7	Very high	92.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	158.2	177.9	61.7	171.5	0	0	0	110.9	E569 I574 T582 C583 K584 W591	E569-I594 HydrophobicContact CB-CG1 3.91Å; E569-I594 PolarHBondContact N-O 2.88Å; E569-I594 PolarHBondContact O-N 3.48Å; I574-I594 HydrophobicContact CB-CD1 4.2Å; I574-I594 HydrophobicContact CD1-CD1 3.82Å; I574-I594 HydrophobicContact CD1-CG1 4.17Å; I574-I594 HydrophobicContact CD1-CG2 4.16Å; I574-I594 HydrophobicContact CG2-CD1 3.69Å; I574-I594 HydrophobicContact CG2-CG1 3.99Å; T582-I594 HydrophobicContact CG2-CD1 4.21Å; T582-I594 WeakPolarHBondContact OG1-CD1 3.31Å; C583-I594 CarbonylContact O-C 3.58Å; C583-I594 VanDerWaalsContact O-CA 3.24Å; C583-I594 WeakPolarHBondContact O-CA 3.49Å; K584-I594 HydrophobicContact CG-CG2 4.38Å; W591-I594 HydrophobicContact CZ2-CG2 4.26Å
595	H	92.5	Very high	92.5	Very high	7 Å²	7	25.8 Å²	25.8	3%	0.032	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	140.3	177.7	-169.1	-92.1	0	0	0	111.3	W566 S567 C583 I585 S597 L601	W566-H595 PolarHBondContact O-NE2 2.95Å; S567-H595 PolarHBondContact OG-NE2 3.14Å; C583-H595 PolarHBondContact N-O 2.84Å; C583-H595 PolarHBondContact O-N 3.28Å; I585-H595 HydrophobicContact CD1-CB 3.53Å; I585-H595 HydrophobicContact CG1-CB 4.36Å; H595-S597 VanDerWaalsContact CE1-C 3.45Å; H595-S597 PolarHBondContact CE1-N 3.16Å; H595-S597 PolarHBondContact CE1-O 2.81Å; H595-S597 PolarHBondContact ND1-N 3.22Å; H595-S597 PolarHBondContact ND1-O 3.25Å; H595-L601 HydrophobicContact CB-CD2 4.43Å
596	S	89.7	Confident	92.2	Very high	84 Å²	84	28.8 Å²	28.8	59%	0.587	17%	0.172	S	C	*	.	S	Bend	trans	-82.5	-31.3	-176	56.8	0	0	0	0	113.3	P598	S596-P598 VanDerWaalsContact C-CD 3.42Å; S596-P598 WeakPolarHBondContact O-CD 3.35Å
597	S	91.9	Very high	92	Very high	63 Å²	63	34.7 Å²	34.7	44%	0.441	20%	0.198	S	C	.	.			trans	-117.9	66.9	-175.3	-64.3	0	0	0	0	113.4	H595 D599 H600 L601	H595-S597 VanDerWaalsContact CE1-C 3.45Å; H595-S597 PolarHBondContact CE1-N 3.16Å; H595-S597 PolarHBondContact CE1-O 2.81Å; H595-S597 PolarHBondContact ND1-N 3.22Å; H595-S597 PolarHBondContact ND1-O 3.25Å; S597-D599 VanDerWaalsContact C-N 3.32Å; S597-D599 PolarHBondContact O-N 3.01Å; S597-H600 PolarHBondContact O-N 3.29Å; S597-L601 PolarHBondContact O-N 3.34Å
598	P	92.1	Very high	91.8	Very high	11 Å²	11	35.5 Å²	35.5	7%	0.071	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-28.7	-172.6	25.6	-36	0	0	0	115	C583 S596 M602 I630	C583-P598 HydrophobicContact CB-CB 3.76Å; C583-P598 HydrophobicContact CB-CG 3.85Å; S596-P598 VanDerWaalsContact C-CD 3.42Å; S596-P598 WeakPolarHBondContact O-CD 3.35Å; P598-M602 WeakPolarHBondContact O-CB 3.3Å; P598-M602 PolarHBondContact O-N 3.25Å; P598-I630 HydrophobicContact CB-CD1 3.73Å
599	D	91.3	Very high	91.7	Very high	102 Å²	102	35.4 Å²	35.4	55%	0.545	20%	0.201	S	C	.	.	H	α-helix	trans	-62.7	-47.3	176.3	-71.4	-75.8	0	0	0	112.9	S597 M602 G603 R623	S597-D599 VanDerWaalsContact C-N 3.32Å; S597-D599 PolarHBondContact O-N 3.01Å; D599-M602 PolarHBondContact O-N 3.31Å; D599-G603 PolarHBondContact O-N 3.36Å; D599-R623 VanDerWaalsContact CG-CZ 3.49Å; D599-R623 IonicContact OD1-CZ 3.63Å; D599-R623 VanDerWaalsContact OD1-CZ 3.26Å; D599-R623 IonicContact OD1-NH1 2.61Å; D599-R623 PolarHBondContact OD1-NH1 2.95Å; D599-R623 IonicContact OD1-NH2 3.29Å; D599-R623 PolarHBondContact OD1-NH2 3.42Å; D599-R623 VanDerWaalsContact OD1-NH2 3.13Å; D599-R623 IonicContact OD2-CZ 3.7Å; D599-R623 IonicContact OD2-NH1 3.18Å; D599-R623 IonicContact OD2-NH2 3.81Å; D599-R623 PolarHBondContact OD2-NH2 2.8Å
600	H	92.4	Very high	91.6	Very high	118 Å²	118	37.6 Å²	37.6	55%	0.546	21%	0.207	S	C	.	.	H	α-helix	trans	-66.2	-46.6	-178.7	-171.6	61.3	0	0	0	110.7	W566 S597 M602 G603 T604	W566-H600 AromaticContact CZ3-CD2 3.89Å; W566-H600 AromaticContact CZ3-NE2 3.65Å; S597-H600 PolarHBondContact O-N 3.29Å; H600-M602 VanDerWaalsContact C-N 3.33Å; H600-M602 PolarHBondContact O-N 3.28Å; H600-G603 PolarHBondContact O-N 3.44Å; H600-G603 VanDerWaalsContact O-N 3.13Å; H600-T604 PolarHBondContact O-N 3.45Å; H600-T604 PolarHBondContact O-OG1 3.19Å
601	L	92.4	Very high	91.3	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-56.6	-46.2	176.2	-179.9	62.6	0	0	0	111.8	L563 W566 I585 H595 S597 G603 T604 L605 I630	L563-L601 HydrophobicContact CD2-CD1 4.11Å; L563-L601 HydrophobicContact CD2-CD2 4.22Å; W566-L601 HydrophobicContact CB-CD1 4.35Å; I585-L601 HydrophobicContact CD1-CD2 3.64Å; H595-L601 HydrophobicContact CB-CD2 4.43Å; S597-L601 PolarHBondContact O-N 3.34Å; L601-G603 VanDerWaalsContact C-N 3.33Å; L601-G603 PolarHBondContact O-N 2.93Å; L601-T604 PolarHBondContact O-N 3.3Å; L601-L605 HydrophobicContact CD1-CD1 4.19Å; L601-L605 HydrophobicContact CD1-CG 4.15Å; L601-L605 HydrophobicContact CG-CD1 3.94Å; L601-L605 HydrophobicContact CG-CG 4.33Å; L601-L605 WeakPolarHBondContact O-CB 3.5Å; L601-L605 VanDerWaalsContact O-CG 3.28Å; L601-L605 WeakPolarHBondContact O-CG 3.49Å; L601-L605 PolarHBondContact O-N 2.88Å; L601-I630 HydrophobicContact CD2-CD1 4.22Å
602	M	91.7	Very high	90.4	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.02	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-37.1	178.8	-168.2	67.2	-113	0	0	112.4	P598 D599 H600 L605 R606 M621 R623	P598-M602 WeakPolarHBondContact O-CB 3.3Å; P598-M602 PolarHBondContact O-N 3.25Å; D599-M602 PolarHBondContact O-N 3.31Å; H600-M602 VanDerWaalsContact C-N 3.33Å; H600-M602 PolarHBondContact O-N 3.28Å; M602-L605 HydrophobicContact CE-CB 4.31Å; M602-R606 HydrophobicContact CE-CG 3.58Å; M602-R606 WeakPolarHBondContact O-CB 3.32Å; M602-R606 WeakPolarHBondContact O-CG 3.46Å; M602-R606 PolarHBondContact O-N 3.15Å; M602-M621 HydrophobicContact CE-CB 3.6Å; M602-M621 HydrophobicContact CE-CE 3.9Å; M602-M621 HydrophobicContact CE-CG 4.49Å; M602-M621 HydrophobicContact CE-SD 4.2Å; M602-M621 HydrophobicContact SD-CB 4.36Å; M602-R623 HydrophobicContact SD-CB 4.34Å
603	G	91	Very high	89.4	Confident	44 Å²	44	47.4 Å²	47.4	45%	0.454	26%	0.255	S	S	.	.	H	α-helix	trans	-61	-46.5	173.4	0	0	0	0	0	112.2	D599 H600 L601 K607	D599-G603 PolarHBondContact O-N 3.36Å; H600-G603 PolarHBondContact O-N 3.44Å; H600-G603 VanDerWaalsContact O-N 3.13Å; L601-G603 VanDerWaalsContact C-N 3.33Å; L601-G603 PolarHBondContact O-N 2.93Å; G603-K607 PolarHBondContact O-N 2.75Å
604	T	91.8	Very high	88.3	Confident	24 Å²	24	50.1 Å²	50.1	15%	0.147	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-46.9	178	-55.6	0	0	0	0	111.9	F562 W566 H600 L601 R606 K607 L608	F562-T604 HydrophobicContact CZ-CG2 4.02Å; W566-T604 HydrophobicContact CH2-CG2 4.29Å; W566-T604 HydrophobicContact CZ2-CG2 3.94Å; H600-T604 PolarHBondContact O-N 3.45Å; H600-T604 PolarHBondContact O-OG1 3.19Å; L601-T604 PolarHBondContact O-N 3.3Å; T604-R606 VanDerWaalsContact C-N 3.34Å; T604-R606 PolarHBondContact O-N 3.33Å; T604-K607 WeakPolarHBondContact O-CB 3.36Å; T604-K607 PolarHBondContact O-N 3.38Å; T604-K607 VanDerWaalsContact O-N 3.1Å; T604-L608 HydrophobicContact CG2-CD1 4.22Å; T604-L608 WeakPolarHBondContact O-CG 3.27Å; T604-L608 PolarHBondContact O-N 2.58Å
605	L	91.3	Very high	87.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.2	-41.7	178.5	-74.2	175.5	0	0	0	112.4	F562 L563 L601 M602 L608 R609 I615 M621 I632	F562-L605 HydrophobicContact CD1-CD2 3.9Å; F562-L605 HydrophobicContact CE1-CD2 3.62Å; F562-L605 HydrophobicContact CE1-CG 4.49Å; L563-L605 HydrophobicContact CD2-CD1 4.46Å; L563-L605 HydrophobicContact CD2-CD2 4.48Å; L601-L605 HydrophobicContact CD1-CD1 4.19Å; L601-L605 HydrophobicContact CD1-CG 4.15Å; L601-L605 HydrophobicContact CG-CD1 3.94Å; L601-L605 HydrophobicContact CG-CG 4.33Å; L601-L605 WeakPolarHBondContact O-CB 3.5Å; L601-L605 VanDerWaalsContact O-CG 3.28Å; L601-L605 WeakPolarHBondContact O-CG 3.49Å; L601-L605 PolarHBondContact O-N 2.88Å; M602-L605 HydrophobicContact CE-CB 4.31Å; L605-L608 PolarHBondContact O-N 3.49Å; L605-R609 WeakPolarHBondContact O-CB 3.49Å; L605-R609 PolarHBondContact O-N 3.07Å; L605-I615 HydrophobicContact CD2-CD1 3.71Å; L605-M621 HydrophobicContact CB-CE 4.26Å; L605-M621 HydrophobicContact CB-SD 3.64Å; L605-M621 HydrophobicContact CD1-SD 4.31Å; L605-M621 HydrophobicContact CG-SD 4.38Å; L605-I632 HydrophobicContact CD1-CD1 4.08Å
606	R	90.4	Very high	86.7	Confident	63 Å²	63	53 Å²	53	24%	0.238	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-42.2	173.1	-82.4	171	177.7	173.2	2.1	112.1	M602 T604 L608 R609 R610 M621	M602-R606 HydrophobicContact CE-CG 3.58Å; M602-R606 WeakPolarHBondContact O-CB 3.32Å; M602-R606 WeakPolarHBondContact O-CG 3.46Å; M602-R606 PolarHBondContact O-N 3.15Å; T604-R606 VanDerWaalsContact C-N 3.34Å; T604-R606 PolarHBondContact O-N 3.33Å; R606-L608 PolarHBondContact O-N 3.39Å; R606-R609 PolarHBondContact O-N 3.07Å; R606-R610 WeakPolarHBondContact O-CB 3.42Å; R606-R610 VanDerWaalsContact O-CG 3.25Å; R606-R610 WeakPolarHBondContact O-CG 3.36Å; R606-R610 PolarHBondContact O-N 3.43Å; R606-M621 HydrophobicContact CG-CE 4.32Å
607	K	90	Very high	86.2	Confident	130 Å²	130	50 Å²	50	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-60	-46.2	177.2	-171.3	179.5	178.5	-176.5	0	111.2	G603 T604 R610 Q611	G603-K607 PolarHBondContact O-N 2.75Å; T604-K607 WeakPolarHBondContact O-CB 3.36Å; T604-K607 PolarHBondContact O-N 3.38Å; T604-K607 VanDerWaalsContact O-N 3.1Å; K607-R610 PolarHBondContact O-N 3.39Å; K607-Q611 WeakPolarHBondContact O-CG 3.47Å; K607-Q611 PolarHBondContact O-N 3.23Å
608	L	90	Very high	85.9	Confident	22 Å²	22	47.8 Å²	47.8	12%	0.115	25%	0.251	C	S	.	.	H	α-helix	trans	-64.1	-40.9	178	-70.7	170.6	0	0	0	112.9	F562 T604 L605 R606 R610 Q611 V612 D613 I615	F562-L608 HydrophobicContact CD1-CD1 4.38Å; F562-L608 HydrophobicContact CD2-CD1 4.08Å; F562-L608 HydrophobicContact CE1-CD1 3.7Å; F562-L608 HydrophobicContact CE2-CD1 3.32Å; F562-L608 HydrophobicContact CZ-CD1 3.11Å; T604-L608 HydrophobicContact CG2-CD1 4.22Å; T604-L608 WeakPolarHBondContact O-CG 3.27Å; T604-L608 PolarHBondContact O-N 2.58Å; L605-L608 PolarHBondContact O-N 3.49Å; R606-L608 PolarHBondContact O-N 3.39Å; L608-R610 VanDerWaalsContact C-N 3.33Å; L608-R610 PolarHBondContact O-N 3.03Å; L608-Q611 PolarHBondContact O-N 3.29Å; L608-V612 PolarHBondContact O-N 2.92Å; L608-V612 VanDerWaalsContact O-N 3.07Å; L608-D613 PolarHBondContact O-N 3.38Å; L608-I615 HydrophobicContact CB-CD1 4.04Å; L608-I615 HydrophobicContact CB-CG1 4.39Å
609	R	91.5	Very high	85.9	Confident	7 Å²	7	47.3 Å²	47.3	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-41.4	174.2	-179.8	179.7	178.5	-170.4	17.4	112.3	L605 R606 Q611 V612 I615 S617 V619 M621 E681 Y682 E687	L605-R609 WeakPolarHBondContact O-CB 3.49Å; L605-R609 PolarHBondContact O-N 3.07Å; R606-R609 PolarHBondContact O-N 3.07Å; R609-Q611 VanDerWaalsContact C-N 3.31Å; R609-V612 PolarHBondContact O-N 3.08Å; R609-I615 HydrophobicContact CB-CB 4.33Å; R609-I615 HydrophobicContact CB-CG2 3.93Å; R609-I615 HydrophobicContact CG-CG2 4.17Å; R609-S617 PolarHBondContact NE-O 3.14Å; R609-S617 PolarHBondContact NH2-O 3.15Å; R609-V619 PolarHBondContact NE-O 3.43Å; R609-V619 PolarHBondContact NH2-O 2.89Å; R609-M621 HydrophobicContact CB-CE 3.91Å; R609-M621 HydrophobicContact CG-CE 4.36Å; R609-E681 WeakPolarHBondContact CD-OE1 3.32Å; R609-E681 IonicContact CZ-OE1 2.73Å; R609-E681 IonicContact NE-OE1 3.87Å; R609-E681 PolarHBondContact NE-OE1 2.94Å; R609-E681 IonicContact NH1-OE1 3.06Å; R609-E681 PolarHBondContact NH1-OE1 3.05Å; R609-Y682 PolarHBondContact NH2-O 3.04Å; R609-E687 IonicContact CZ-OE2 2.79Å; R609-E687 VanDerWaalsContact NH1-CD 3.34Å; R609-E687 IonicContact NH1-OE1 2.64Å; R609-E687 PolarHBondContact NH1-OE1 3.15Å; R609-E687 IonicContact NH1-OE2 2.86Å; R609-E687 PolarHBondContact NH1-OE2 2.89Å; R609-E687 IonicContact NH2-OE2 3.63Å
610	R	89.5	Confident	86	Confident	53 Å²	53	42.5 Å²	42.5	20%	0.2	22%	0.222	C	C	.	.	H	α-helix	trans	-70.9	-26.5	179.5	-71	169.6	-176.4	-172.4	-4.1	113.1	R606 K607 L608 V612 I645 E647 E681	R606-R610 WeakPolarHBondContact O-CB 3.42Å; R606-R610 VanDerWaalsContact O-CG 3.25Å; R606-R610 WeakPolarHBondContact O-CG 3.36Å; R606-R610 PolarHBondContact O-N 3.43Å; K607-R610 PolarHBondContact O-N 3.39Å; L608-R610 VanDerWaalsContact C-N 3.33Å; L608-R610 PolarHBondContact O-N 3.03Å; R610-V612 VanDerWaalsContact C-N 3.35Å; R610-I645 HydrophobicContact CG-CD1 4.06Å; R610-E647 IonicContact CZ-OE1 2.67Å; R610-E647 IonicContact NH1-OE1 2.89Å; R610-E647 PolarHBondContact NH1-OE1 3.17Å; R610-E681 IonicContact NE-OE2 3.65Å; R610-E681 PolarHBondContact NE-OE2 3.15Å; R610-E681 IonicContact NH2-OE2 3.56Å
611	Q	85.9	Confident	86.1	Confident	109 Å²	109	36.9 Å²	36.9	51%	0.509	20%	0.196	S	C	.	.	H	α-helix	trans	-85.1	-10.5	173.4	-69	177.4	-41.8	0	0	112.9	K607 L608 R609 D613	K607-Q611 WeakPolarHBondContact O-CG 3.47Å; K607-Q611 PolarHBondContact O-N 3.23Å; L608-Q611 PolarHBondContact O-N 3.29Å; R609-Q611 VanDerWaalsContact C-N 3.31Å; Q611-D613 VanDerWaalsContact C-N 3.26Å; Q611-D613 PolarHBondContact O-N 2.77Å
612	V	76.6	Confident	86.2	Confident	37 Å²	37	37.5 Å²	37.5	22%	0.224	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	47.6	-177.1	-162.1	0	0	0	0	111.6	L608 R609 R610 V675 L676	L608-V612 PolarHBondContact O-N 2.92Å; L608-V612 VanDerWaalsContact O-N 3.07Å; R609-V612 PolarHBondContact O-N 3.08Å; R610-V612 VanDerWaalsContact C-N 3.35Å; V612-V675 HydrophobicContact CG2-CG1 4.3Å; V612-L676 HydrophobicContact CB-CD2 3.68Å; V612-L676 HydrophobicContact CG1-CD2 4.28Å; V612-L676 HydrophobicContact CG2-CD2 3.79Å
613	D	71.6	Confident	86.3	Confident	115 Å²	115	37.9 Å²	37.9	62%	0.615	20%	0.2	S	C	*	.	S	Bend	trans	-86.8	-102.5	178.3	-167.7	15	0	0	0	109.5	L608 Q611 I615	L608-D613 PolarHBondContact O-N 3.38Å; Q611-D613 VanDerWaalsContact C-N 3.26Å; Q611-D613 PolarHBondContact O-N 2.77Å; D613-I615 VanDerWaalsContact C-N 3.33Å; D613-I615 PolarHBondContact O-N 3.2Å
614	V	67.8	Low	86.3	Confident	58 Å²	58	37.8 Å²	37.8	35%	0.352	19%	0.189	S	C	.	.	S	Bend	trans	-70.1	-30.7	175.3	-174.9	0	0	0	0	112.3	P558	P558-V614 HydrophobicContact CB-CG1 3.7Å
615	I	70.9	Confident	86.2	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.015	21%	0.207	C	C	.	.	S	Bend	trans	-100.8	111.9	-171.8	-57.7	-179.3	0	0	0	110.1	L605 L608 R609 D613 V619 M621	L605-I615 HydrophobicContact CD2-CD1 3.71Å; L608-I615 HydrophobicContact CB-CD1 4.04Å; L608-I615 HydrophobicContact CB-CG1 4.39Å; R609-I615 HydrophobicContact CB-CB 4.33Å; R609-I615 HydrophobicContact CB-CG2 3.93Å; R609-I615 HydrophobicContact CG-CG2 4.17Å; D613-I615 VanDerWaalsContact C-N 3.33Å; D613-I615 PolarHBondContact O-N 3.2Å; I615-V619 HydrophobicContact CG2-CB 3.6Å; I615-V619 HydrophobicContact CG2-CG1 3.96Å; I615-V619 HydrophobicContact CG2-CG2 3.9Å; I615-M621 HydrophobicContact CD1-SD 4.24Å
616	V	81	Confident	86	Confident	65 Å²	65	50.7 Å²	50.7	39%	0.394	24%	0.236	S	C	.	.			trans	-63.1	143.7	173	-166.9	0	0	0	0	109.8	E618 V619	V616-E618 HydrophobicContact CG1-CG 4.41Å; V616-E618 PolarHBondContact O-N 3.35Å; V616-V619 HydrophobicContact CB-CG2 4.41Å; V616-V619 WeakPolarHBondContact O-CB 3.26Å; V616-V619 WeakPolarHBondContact O-CG2 3.23Å; V616-V619 PolarHBondContact O-N 2.97Å
617	S	79.9	Confident	85.8	Confident	19 Å²	19	49.1 Å²	49.1	13%	0.133	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-23.6	-179.3	57.8	0	0	0	0	114.7	R609 V619	R609-S617 PolarHBondContact NE-O 3.14Å; R609-S617 PolarHBondContact NH2-O 3.15Å; S617-V619 VanDerWaalsContact C-N 3.34Å
618	E	85.5	Confident	85.9	Confident	18 Å²	18	47 Å²	47	8%	0.084	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-22.6	176.5	-58.8	-165.7	170.7	0	0	114.2	Y549 S551 V552 G553 V616 S620 R638	Y549-E618 HydrophobicContact CE1-CG 4.05Å; Y549-E618 WeakPolarHBondContact CE1-OE1 3.47Å; Y549-E618 VanDerWaalsContact CZ-OE1 3.29Å; Y549-E618 PolarHBondContact OH-OE1 3.32Å; S551-E618 WeakPolarHBondContact CA-OE2 3.39Å; S551-E618 WeakPolarHBondContact CB-OE2 3.43Å; V552-E618 PolarHBondContact N-OE2 3Å; G553-E618 PolarHBondContact N-OE2 3.28Å; V616-E618 HydrophobicContact CG1-CG 4.41Å; V616-E618 PolarHBondContact O-N 3.35Å; E618-S620 PolarHBondContact O-N 2.95Å; E618-R638 VanDerWaalsContact O-CZ 3.23Å; E618-R638 PolarHBondContact O-NH1 3.09Å; E618-R638 PolarHBondContact O-NH2 3.35Å
619	V	92.3	Very high	86	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	22%	0.22	C	C	.	.			trans	-66.2	123	-175.3	177.5	0	0	0	0	109.5	I559 R609 I615 V616 S617 M621 I632 T634	I559-V619 HydrophobicContact CD1-CG1 3.92Å; I559-V619 HydrophobicContact CD1-CG2 4.02Å; R609-V619 PolarHBondContact NE-O 3.43Å; R609-V619 PolarHBondContact NH2-O 2.89Å; I615-V619 HydrophobicContact CG2-CB 3.6Å; I615-V619 HydrophobicContact CG2-CG1 3.96Å; I615-V619 HydrophobicContact CG2-CG2 3.9Å; V616-V619 HydrophobicContact CB-CG2 4.41Å; V616-V619 WeakPolarHBondContact O-CB 3.26Å; V616-V619 WeakPolarHBondContact O-CG2 3.23Å; V616-V619 PolarHBondContact O-N 2.97Å; S617-V619 VanDerWaalsContact C-N 3.34Å; V619-M621 HydrophobicContact CG1-CG 4.19Å; V619-I632 HydrophobicContact CG1-CG2 3.71Å; V619-T634 HydrophobicContact CG1-CG2 4.15Å; V619-T634 HydrophobicContact CG2-CG2 4Å
620	S	93.5	Very high	86.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	139.2	176.9	172.7	0	0	0	0	110.4	E618 I622 I632 Y633 D684	E618-S620 PolarHBondContact O-N 2.95Å; S620-I622 VanDerWaalsContact OG-CD1 3.24Å; S620-I622 WeakPolarHBondContact OG-CD1 3.32Å; S620-I632 CarbonylContact O-C 3.39Å; S620-I632 VanDerWaalsContact O-CA 3.31Å; S620-I632 WeakPolarHBondContact O-CA 3.47Å; S620-Y633 PolarHBondContact N-O 3.05Å; S620-Y633 PolarHBondContact O-N 2.87Å; S620-D684 VanDerWaalsContact CB-CG 3.44Å; S620-D684 WeakPolarHBondContact CB-OD2 3.44Å; S620-D684 PolarHBondContact OG-OD1 3.08Å; S620-D684 PolarHBondContact OG-OD2 3.37Å
621	M	93.2	Very high	86.5	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	115.9	-177.6	-56.4	175.3	-62.4	0	0	109	M602 L605 R606 R609 I615 V619 I632	M602-M621 HydrophobicContact CE-CB 3.6Å; M602-M621 HydrophobicContact CE-CE 3.9Å; M602-M621 HydrophobicContact CE-CG 4.49Å; M602-M621 HydrophobicContact CE-SD 4.2Å; M602-M621 HydrophobicContact SD-CB 4.36Å; L605-M621 HydrophobicContact CB-CE 4.26Å; L605-M621 HydrophobicContact CB-SD 3.64Å; L605-M621 HydrophobicContact CD1-SD 4.31Å; L605-M621 HydrophobicContact CG-SD 4.38Å; R606-M621 HydrophobicContact CG-CE 4.32Å; R609-M621 HydrophobicContact CB-CE 3.91Å; R609-M621 HydrophobicContact CG-CE 4.36Å; I615-M621 HydrophobicContact CD1-SD 4.24Å; V619-M621 HydrophobicContact CG1-CG 4.19Å; M621-I632 HydrophobicContact CG-CG1 4.25Å; M621-I632 HydrophobicContact CG-CG2 4.29Å
622	I	94.8	Very high	86.9	Confident	15 Å²	15	40 Å²	40	8%	0.077	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.3	-174.9	-53.6	95.2	0	0	0	108.5	S620 I630 R631 Y633 L686 E687 T690	S620-I622 VanDerWaalsContact OG-CD1 3.24Å; S620-I622 WeakPolarHBondContact OG-CD1 3.32Å; I622-I630 CarbonylContact O-C 3.6Å; I622-I630 WeakPolarHBondContact O-CA 3.49Å; I622-R631 WeakPolarHBondContact CD1-O 3.34Å; I622-R631 PolarHBondContact N-O 2.94Å; I622-R631 PolarHBondContact O-N 3.3Å; I622-Y633 HydrophobicContact CD1-CD2 3.72Å; I622-Y633 HydrophobicContact CD1-CE2 4Å; I622-L686 HydrophobicContact CD1-CB 3.92Å; I622-L686 HydrophobicContact CG1-CB 3.93Å; I622-E687 HydrophobicContact CG1-CB 4.26Å; I622-T690 HydrophobicContact CG2-CG2 3.62Å
623	R	94	Very high	87.8	Confident	12 Å²	12	38.7 Å²	38.7	5%	0.045	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	112	170.4	-176.9	170.7	175.4	-159.3	-3.9	110.9	D599 M602 Y625 I630	D599-R623 VanDerWaalsContact CG-CZ 3.49Å; D599-R623 IonicContact OD1-CZ 3.63Å; D599-R623 VanDerWaalsContact OD1-CZ 3.26Å; D599-R623 IonicContact OD1-NH1 2.61Å; D599-R623 PolarHBondContact OD1-NH1 2.95Å; D599-R623 IonicContact OD1-NH2 3.29Å; D599-R623 PolarHBondContact OD1-NH2 3.42Å; D599-R623 VanDerWaalsContact OD1-NH2 3.13Å; D599-R623 IonicContact OD2-CZ 3.7Å; D599-R623 IonicContact OD2-NH1 3.18Å; D599-R623 IonicContact OD2-NH2 3.81Å; D599-R623 PolarHBondContact OD2-NH2 2.8Å; M602-R623 HydrophobicContact SD-CB 4.34Å; R623-Y625 HydrophobicContact CG-CE2 4.44Å; R623-Y625 VanDerWaalsContact CZ-CE1 3.45Å; R623-Y625 PolarHBondContact O-N 3.25Å; R623-I630 HydrophobicContact CB-CG1 4.43Å; R623-I630 HydrophobicContact CG-CG1 4.16Å
624	D	91.8	Very high	88.8	Confident	42 Å²	42	33.2 Å²	33.2	23%	0.225	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	104.4	173.4	-168.8	-24.9	0	0	0	109.5	R626 D627 Q628 E629	D624-R626 VanDerWaalsContact C-N 3.3Å; D624-R626 PolarHBondContact O-N 3.04Å; D624-R626 WeakPolarHBondContact OD1-CB 3.38Å; D624-R626 PolarHBondContact OD1-N 3.35Å; D624-D627 PolarHBondContact OD1-N 3.3Å; D624-Q628 WeakPolarHBondContact O-CA 3.37Å; D624-Q628 PolarHBondContact O-N 3.37Å; D624-Q628 VanDerWaalsContact O-N 3.08Å; D624-E629 HydrophobicContact CB-CB 4.44Å; D624-E629 PolarHBondContact N-O 3.34Å; D624-E629 PolarHBondContact O-N 3.28Å; D624-E629 VanDerWaalsContact O-N 3.16Å
625	Y	89.3	Confident	89.9	Confident	131 Å²	131	31.7 Å²	31.7	51%	0.514	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-27.6	178.8	-68	-85.3	0	0	0	113	R623 Q628	R623-Y625 HydrophobicContact CG-CE2 4.44Å; R623-Y625 VanDerWaalsContact CZ-CE1 3.45Å; R623-Y625 PolarHBondContact O-N 3.25Å; Y625-Q628 PolarHBondContact O-NE2 3.04Å
626	R	87.3	Confident	90.9	Very high	163 Å²	163	33.4 Å²	33.4	62%	0.615	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-44.4	-175.8	-177.3	178.9	179.3	178.4	-0.8	110.9	R397 D399 D624	R397-R626 PolarHBondContact O-NH2 2.94Å; D399-R626 IonicContact OD2-NH1 3.72Å; D624-R626 VanDerWaalsContact C-N 3.3Å; D624-R626 PolarHBondContact O-N 3.04Å; D624-R626 WeakPolarHBondContact OD1-CB 3.38Å; D624-R626 PolarHBondContact OD1-N 3.35Å
627	D	86.2	Confident	91.5	Very high	31 Å²	31	30.4 Å²	30.4	17%	0.166	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-4	-177.8	-71.6	-11.7	0	0	0	113.4	R398 D624 E629	R398-D627 WeakPolarHBondContact CD-OD2 3.44Å; R398-D627 IonicContact CZ-OD2 2.87Å; R398-D627 IonicContact NE-OD2 2.86Å; R398-D627 PolarHBondContact NE-OD2 2.98Å; R398-D627 IonicContact NH1-OD2 3.67Å; R398-D627 PolarHBondContact NH1-OD2 3.15Å; R398-D627 IonicContact NH2-OD2 3.89Å; D624-D627 PolarHBondContact OD1-N 3.3Å; D627-E629 HydrophobicContact CB-CG 4.1Å
628	Q	90.8	Very high	92.2	Very high	85 Å²	85	29.8 Å²	29.8	40%	0.397	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	55.7	-175.3	-63	-68.2	-39.7	0	0	111.4	C583 K584 D624 Y625	C583-Q628 WeakPolarHBondContact CA-O 3.46Å; C583-Q628 VanDerWaalsContact SG-C 3.54Å; C583-Q628 PolarHBondContact SG-O 3.18Å; C583-Q628 VanDerWaalsContact SG-O 3.34Å; K584-Q628 PolarHBondContact N-O 3.43Å; D624-Q628 WeakPolarHBondContact O-CA 3.37Å; D624-Q628 PolarHBondContact O-N 3.37Å; D624-Q628 VanDerWaalsContact O-N 3.08Å; Y625-Q628 PolarHBondContact O-NE2 3.04Å
629	E	93.3	Very high	92.7	Very high	5 Å²	5	29.1 Å²	29.1	2%	0.023	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140.3	179.3	-59.6	-178.2	175	0	0	111.3	Y385 K584 F586 D624 D627 R631	Y385-E629 WeakPolarHBondContact CE2-OE1 3.48Å; Y385-E629 VanDerWaalsContact CZ-OE1 3.28Å; Y385-E629 VanDerWaalsContact OH-CD 3.28Å; Y385-E629 PolarHBondContact OH-OE1 3.06Å; Y385-E629 PolarHBondContact OH-OE2 2.88Å; K584-E629 HydrophobicContact CB-CG 4.38Å; K584-E629 CarbonylContact O-C 3.53Å; K584-E629 WeakPolarHBondContact O-CA 3.38Å; F586-E629 HydrophobicContact CE2-CB 4.39Å; F586-E629 HydrophobicContact CE2-CG 4.09Å; D624-E629 HydrophobicContact CB-CB 4.44Å; D624-E629 PolarHBondContact N-O 3.34Å; D624-E629 PolarHBondContact O-N 3.28Å; D624-E629 VanDerWaalsContact O-N 3.16Å; D627-E629 HydrophobicContact CB-CG 4.1Å; E629-R631 IonicContact OE2-CZ 3.72Å; E629-R631 IonicContact OE2-NE 3.73Å; E629-R631 PolarHBondContact OE2-NE 2.92Å; E629-R631 IonicContact OE2-NH2 2.83Å; E629-R631 PolarHBondContact OE2-NH2 3.35Å
630	I	95.2	Very high	92.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.5	163.1	-69.2	168.6	0	0	0	107.3	K584 I585 F586 P598 L601 I622 R623 I632	K584-I630 PolarHBondContact O-N 2.77Å; I585-I630 CarbonylContact C-O 3.32Å; I585-I630 WeakPolarHBondContact CA-O 3.2Å; I585-I630 HydrophobicContact CG1-CB 4.33Å; F586-I630 PolarHBondContact N-O 2.96Å; P598-I630 HydrophobicContact CB-CD1 3.73Å; L601-I630 HydrophobicContact CD2-CD1 4.22Å; I622-I630 CarbonylContact O-C 3.6Å; I622-I630 WeakPolarHBondContact O-CA 3.49Å; R623-I630 HydrophobicContact CB-CG1 4.43Å; R623-I630 HydrophobicContact CG-CG1 4.16Å; I630-I632 HydrophobicContact CG2-CD1 4.48Å; I630-I632 HydrophobicContact CG2-CG1 4.15Å
631	R	95.1	Very high	92.9	Very high	38 Å²	38	29.3 Å²	29.3	14%	0.143	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.7	177.4	-56.5	-173	-168	140.8	11.1	109.6	F586 I622 E629 Y633	F586-R631 HydrophobicContact CB-CG 4.26Å; F586-R631 HydrophobicContact CD2-CG 4.27Å; I622-R631 WeakPolarHBondContact CD1-O 3.34Å; I622-R631 PolarHBondContact N-O 2.94Å; I622-R631 PolarHBondContact O-N 3.3Å; E629-R631 IonicContact OE2-CZ 3.72Å; E629-R631 IonicContact OE2-NE 3.73Å; E629-R631 PolarHBondContact OE2-NE 2.92Å; E629-R631 IonicContact OE2-NH2 2.83Å; E629-R631 PolarHBondContact OE2-NH2 3.35Å; R631-Y633 HydrophobicContact CB-CE2 3.9Å
632	I	95.1	Very high	93	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.3	178.6	-56.7	176.5	0	0	0	108.2	I559 L563 F586 V587 N588 L605 V619 S620 M621 I630	I559-I632 HydrophobicContact CD1-CG2 4.46Å; I559-I632 HydrophobicContact CG2-CD1 4.29Å; I559-I632 HydrophobicContact CG2-CG2 4.42Å; L563-I632 HydrophobicContact CD1-CD1 4.13Å; F586-I632 PolarHBondContact O-N 2.93Å; V587-I632 CarbonylContact C-O 3.49Å; V587-I632 WeakPolarHBondContact CA-O 3.46Å; V587-I632 HydrophobicContact CG2-CB 4.24Å; V587-I632 HydrophobicContact CG2-CD1 4.41Å; N588-I632 PolarHBondContact N-O 3.21Å; L605-I632 HydrophobicContact CD1-CD1 4.08Å; V619-I632 HydrophobicContact CG1-CG2 3.71Å; S620-I632 CarbonylContact O-C 3.39Å; S620-I632 VanDerWaalsContact O-CA 3.31Å; S620-I632 WeakPolarHBondContact O-CA 3.47Å; M621-I632 HydrophobicContact CG-CG1 4.25Å; M621-I632 HydrophobicContact CG-CG2 4.29Å; I630-I632 HydrophobicContact CG2-CD1 4.48Å; I630-I632 HydrophobicContact CG2-CG1 4.15Å
633	Y	94.8	Very high	93	Very high	9 Å²	9	28.6 Å²	28.6	4%	0.035	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.6	178.1	-66.4	-81	0	0	0	111.2	N588 S620 I622 R631 R638 L686	N588-Y633 WeakPolarHBondContact OD1-CA 3.45Å; S620-Y633 PolarHBondContact N-O 3.05Å; S620-Y633 PolarHBondContact O-N 2.87Å; I622-Y633 HydrophobicContact CD1-CD2 3.72Å; I622-Y633 HydrophobicContact CD1-CE2 4Å; R631-Y633 HydrophobicContact CB-CE2 3.9Å; Y633-R638 PolarHBondContact O-NH2 3.03Å; Y633-L686 HydrophobicContact CD2-CD1 4.08Å; Y633-L686 HydrophobicContact CE2-CD1 3.68Å
634	T	93	Very high	93.1	Very high	1 Å²	1	28 Å²	28	1%	0.006	13%	0.128	C	C	.	.			trans	-111.6	4.8	171.8	75.7	0	0	0	0	112.6	G553 S554 I559 N588 V619	G553-T634 WeakPolarHBondContact CA-O 3.31Å; S554-T634 PolarHBondContact N-O 3.33Å; S554-T634 WeakPolarHBondContact O-CB 3.43Å; S554-T634 PolarHBondContact O-OG1 3.05Å; I559-T634 HydrophobicContact CD1-CG2 3.36Å; N588-T634 PolarHBondContact ND2-OG1 3.01Å; N588-T634 PolarHBondContact OD1-N 2.81Å; V619-T634 HydrophobicContact CG1-CG2 4.15Å; V619-T634 HydrophobicContact CG2-CG2 4Å
635	D	91.4	Very high	93.2	Very high	25 Å²	25	26 Å²	26	13%	0.134	12%	0.117	C	C	.	.			trans	-69.6	156	-176.6	69.7	-22.3	0	0	0	113.5	R410 S551 N588 R638	R410-D635 IonicContact CZ-OD1 3.85Å; R410-D635 IonicContact CZ-OD2 3.41Å; R410-D635 IonicContact NE-OD1 2.86Å; R410-D635 PolarHBondContact NE-OD1 3.33Å; R410-D635 IonicContact NE-OD2 2.68Å; R410-D635 PolarHBondContact NE-OD2 3.5Å; R410-D635 IonicContact NH2-OD1 2.89Å; R410-D635 PolarHBondContact NH2-OD1 2.99Å; R410-D635 IonicContact NH2-OD2 3.48Å; R410-D635 PolarHBondContact NH2-OD2 3.49Å; S551-D635 PolarHBondContact OG-O 3.25Å; N588-D635 PolarHBondContact OD1-N 2.94Å; D635-R638 PolarHBondContact O-NE 3.04Å; D635-R638 VanDerWaalsContact O-NE 3.15Å; D635-R638 PolarHBondContact O-NH2 3.29Å; D635-R638 WeakPolarHBondContact OD1-CD 3.46Å; D635-R638 WeakPolarHBondContact OD1-CG 3.47Å; D635-R638 IonicContact OD1-NE 3.64Å; D635-R638 PolarHBondContact OD1-NE 3.11Å
636	A	91.7	Very high	93.4	Very high	39 Å²	39	20.2 Å²	20.2	32%	0.322	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	152.9	177.6	0	0	0	0	0	112.2	V552	V552-A636 WeakPolarHBondContact O-CB 3.36Å
637	G	93.2	Very high	93.4	Very high	3 Å²	3	16.4 Å²	16.4	3%	0.031	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	12.6	172.6	0	0	0	0	0	114.8	R410 L411 S551	R410-G637 CarbonylContact C-O 3.53Å; R410-G637 WeakPolarHBondContact CA-O 3.21Å; L411-G637 PolarHBondContact N-O 2.89Å; L411-G637 VanDerWaalsContact O-CA 3.27Å; L411-G637 WeakPolarHBondContact O-CA 3.32Å; S551-G637 PolarHBondContact O-N 2.9Å; S551-G637 PolarHBondContact OG-N 3.13Å; S551-G637 VanDerWaalsContact OG-N 3.14Å
638	R	95.4	Very high	93.3	Very high	5 Å²	5	25.5 Å²	25.5	2%	0.019	12%	0.123	C	C	.	.			trans	-76.4	138.3	167.5	-69.8	179.4	-68.2	107.4	5.8	108.9	R410 I550 S551 E618 Y633 D635 D684	R410-R638 VanDerWaalsContact CZ-CG 3.42Å; R410-R638 VanDerWaalsContact NE-CG 3.28Å; I550-R638 CarbonylContact C-O 3.58Å; I550-R638 VanDerWaalsContact CA-O 3.24Å; I550-R638 WeakPolarHBondContact CA-O 3.15Å; S551-R638 PolarHBondContact N-O 3.1Å; S551-R638 WeakPolarHBondContact OG-CB 3.5Å; S551-R638 PolarHBondContact OG-N 2.86Å; E618-R638 VanDerWaalsContact O-CZ 3.23Å; E618-R638 PolarHBondContact O-NH1 3.09Å; E618-R638 PolarHBondContact O-NH2 3.35Å; Y633-R638 PolarHBondContact O-NH2 3.03Å; D635-R638 PolarHBondContact O-NE 3.04Å; D635-R638 VanDerWaalsContact O-NE 3.15Å; D635-R638 PolarHBondContact O-NH2 3.29Å; D635-R638 WeakPolarHBondContact OD1-CD 3.46Å; D635-R638 WeakPolarHBondContact OD1-CG 3.47Å; D635-R638 IonicContact OD1-NE 3.64Å; D635-R638 PolarHBondContact OD1-NE 3.11Å; R638-D684 WeakPolarHBondContact CD-OD2 3.42Å; R638-D684 IonicContact NH1-OD2 3.13Å; R638-D684 PolarHBondContact NH1-OD2 3.42Å; R638-D684 VanDerWaalsContact NH1-OD2 3.15Å
639	I	95.3	Very high	92.9	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.5	173.5	-163.7	158.9	0	0	0	108.7	Y406 L411 M526 I527 L544 A548 Y549 D684 T685	Y406-I639 HydrophobicContact CD1-CG2 3.62Å; Y406-I639 HydrophobicContact CE1-CB 4.38Å; Y406-I639 HydrophobicContact CE1-CG2 3.7Å; L411-I639 HydrophobicContact CD1-CD1 4.34Å; M526-I639 HydrophobicContact CB-CD1 3.81Å; M526-I639 HydrophobicContact CB-CG1 4.06Å; M526-I639 HydrophobicContact CB-CG2 4.03Å; M526-I639 HydrophobicContact CG-CG1 4.43Å; M526-I639 HydrophobicContact CG-CG2 3.95Å; M526-I639 WeakPolarHBondContact O-CD1 3.32Å; M526-I639 HydrophobicContact SD-CB 4.4Å; M526-I639 HydrophobicContact SD-CG1 3.92Å; M526-I639 HydrophobicContact SD-CG2 3.94Å; I527-I639 HydrophobicContact CG1-CD1 4.49Å; L544-I639 HydrophobicContact CD2-CD1 3.43Å; L544-I639 VanDerWaalsContact CD2-CD1 3.43Å; A548-I639 HydrophobicContact CB-CD1 4.15Å; A548-I639 HydrophobicContact CB-CG1 4.22Å; Y549-I639 WeakPolarHBondContact O-CA 3.32Å; I639-D684 WeakPolarHBondContact O-CA 3.06Å; I639-D684 WeakPolarHBondContact O-CB 3.45Å; I639-T685 HydrophobicContact CG2-CG2 3.81Å
640	C	94.5	Very high	92.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	164.8	178.2	58	0	0	0	0	111.1	Y549 I683 D684	Y549-C640 VanDerWaalsContact CD1-SG 3.55Å; Y549-C640 PolarHBondContact N-O 3.48Å; Y549-C640 PolarHBondContact O-N 3.46Å; C640-I683 CarbonylContact C-O 3.57Å; C640-I683 WeakPolarHBondContact CA-O 3.3Å; C640-I683 VanDerWaalsContact CB-O 3.28Å; C640-I683 WeakPolarHBondContact CB-O 3.25Å; C640-D684 HydrophobicContact CB-CB 3.95Å
641	R	95.1	Very high	92.4	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.015	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.8	178.7	66.8	-164.4	-175.3	114.5	-0.5	110.2	M526 L643 Y682 I683 E688 I693 E714	M526-R641 HydrophobicContact CE-CB 4.27Å; M526-R641 HydrophobicContact CE-CG 3.75Å; M526-R641 HydrophobicContact SD-CB 4.14Å; M526-R641 HydrophobicContact SD-CG 4.23Å; R641-L643 HydrophobicContact CG-CD2 4.5Å; R641-L643 HydrophobicContact CG-CG 4.42Å; R641-Y682 CarbonylContact O-C 3.52Å; R641-I683 PolarHBondContact N-O 3.3Å; R641-I683 PolarHBondContact O-N 3.39Å; R641-E688 IonicContact CZ-OE1 2.72Å; R641-E688 IonicContact NE-OE1 3.8Å; R641-E688 IonicContact NE-OE2 3.92Å; R641-E688 IonicContact NH2-OE1 2.89Å; R641-E688 PolarHBondContact NH2-OE1 3.13Å; R641-I693 VanDerWaalsContact NH2-CD1 3.29Å; R641-E714 IonicContact CZ-OE2 3.5Å; R641-E714 IonicContact NH1-OE1 3.62Å; R641-E714 PolarHBondContact NH1-OE1 3.27Å; R641-E714 IonicContact NH1-OE2 3.77Å; R641-E714 PolarHBondContact NH1-OE2 2.95Å; R641-E714 IonicContact NH2-OE2 3.41Å
642	P	95.4	Very high	92.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	135.6	176.7	30.7	-33.8	0	0	0	111.2	Y51 M547 W671 V680 E681 Y682 I715	Y51-P642 HydrophobicContact CD2-CG 4.49Å; Y51-P642 HydrophobicContact CE2-CG 4.15Å; M547-P642 HydrophobicContact CB-CG 4.24Å; M547-P642 HydrophobicContact CE-CG 3.48Å; M547-P642 VanDerWaalsContact CE-CG 3.48Å; M547-P642 VanDerWaalsContact O-CD 3.3Å; M547-P642 WeakPolarHBondContact O-CD 3.2Å; M547-P642 HydrophobicContact SD-CG 4.4Å; P642-W671 HydrophobicContact CB-CH2 3.72Å; P642-W671 HydrophobicContact CB-CZ2 3.58Å; P642-W671 HydrophobicContact CG-CH2 4.1Å; P642-W671 HydrophobicContact CG-CZ2 4.1Å; P642-V680 HydrophobicContact CB-CG1 3.7Å; P642-E681 CarbonylContact C-O 3.59Å; P642-E681 WeakPolarHBondContact CA-O 3.5Å; P642-Y682 HydrophobicContact CB-CD1 4.14Å; P642-Y682 HydrophobicContact CB-CE1 4.01Å; P642-Y682 HydrophobicContact CG-CE1 4.26Å; P642-I715 HydrophobicContact CB-CD1 4.43Å; P642-I715 HydrophobicContact CG-CD1 4.36Å
643	L	95.7	Very high	92	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	152.7	176.1	-62.9	177.5	0	0	0	110.6	R641 V680 E681 I683 I693 H712	R641-L643 HydrophobicContact CG-CD2 4.5Å; R641-L643 HydrophobicContact CG-CG 4.42Å; L643-V680 WeakPolarHBondContact O-CA 3.47Å; L643-V680 WeakPolarHBondContact O-CG1 3.41Å; L643-E681 PolarHBondContact N-O 3.01Å; L643-E681 PolarHBondContact O-N 2.72Å; L643-I683 HydrophobicContact CD1-CB 4.07Å; L643-I683 HydrophobicContact CD1-CG1 3.88Å; L643-I683 HydrophobicContact CG-CG1 4.42Å; L643-I693 HydrophobicContact CD1-CD1 3.54Å; L643-I693 HydrophobicContact CD1-CG1 3.99Å; L643-I693 HydrophobicContact CD1-CG2 4.35Å; L643-H712 HydrophobicContact CB-CB 4.1Å; L643-H712 HydrophobicContact CD1-CB 4.06Å
644	V	95.2	Very high	91.9	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.6	176.7	-175.7	0	0	0	0	109.5	W40 L651 L653 H712 C713 I715	W40-V644 HydrophobicContact CH2-CG2 4.15Å; V644-L651 HydrophobicContact CB-CD2 4.45Å; V644-L651 HydrophobicContact CG1-CD2 3.87Å; V644-L653 HydrophobicContact CG1-CB 3.85Å; V644-H712 CarbonylContact O-C 3.57Å; V644-H712 WeakPolarHBondContact O-CA 3.42Å; V644-C713 HydrophobicContact CB-CB 4.46Å; V644-C713 PolarHBondContact N-O 3.07Å; V644-C713 PolarHBondContact O-N 3.02Å; V644-I715 HydrophobicContact CG2-CG1 3.77Å
645	I	94.7	Very high	91.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	138.7	179.5	-64.5	162.1	0	0	0	110.4	R610 E647 L652 G678 V679 E681	R610-I645 HydrophobicContact CG-CD1 4.06Å; I645-E647 HydrophobicContact CG2-CG 4.19Å; I645-L652 HydrophobicContact CB-CD1 3.92Å; I645-L652 HydrophobicContact CB-CG 4.47Å; I645-L652 HydrophobicContact CG2-CD1 3.52Å; I645-L652 HydrophobicContact CG2-CG 4.18Å; I645-L652 PolarHBondContact O-N 2.91Å; I645-L652 VanDerWaalsContact O-N 3.13Å; I645-G678 WeakPolarHBondContact CD1-O 3.4Å; I645-V679 PolarHBondContact N-O 3.11Å; I645-E681 HydrophobicContact CD1-CB 3.94Å; I645-E681 HydrophobicContact CG1-CB 3.97Å
646	V	92.7	Very high	91.6	Very high	8 Å²	8	36.5 Å²	36.5	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.1	175.4	-178.9	0	0	0	0	108.7	K650 L651 M700 H710 T711 C713	V646-K650 WeakPolarHBondContact CA-O 3.49Å; V646-L651 HydrophobicContact CG2-CD2 4.01Å; V646-M700 HydrophobicContact CB-CE 4.45Å; V646-M700 HydrophobicContact CG1-CE 4.1Å; V646-M700 HydrophobicContact CG1-SD 3.76Å; V646-M700 HydrophobicContact CG2-CE 3.45Å; V646-M700 VanDerWaalsContact CG2-CE 3.45Å; V646-M700 HydrophobicContact CG2-SD 4.24Å; V646-H710 HydrophobicContact CG1-CB 4.39Å; V646-T711 PolarHBondContact N-O 2.91Å; V646-C713 HydrophobicContact CG2-CB 3.94Å
647	E	88.3	Confident	91.5	Very high	84 Å²	84	36.3 Å²	36.3	39%	0.393	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.3	173.5	-70.6	-164.3	169.2	0	0	110.6	R610 I645 G649 K650 L652	R610-E647 IonicContact CZ-OE1 2.67Å; R610-E647 IonicContact NH1-OE1 2.89Å; R610-E647 PolarHBondContact NH1-OE1 3.17Å; I645-E647 HydrophobicContact CG2-CG 4.19Å; E647-G649 PolarHBondContact O-N 3.3Å; E647-G649 VanDerWaalsContact O-N 3.07Å; E647-K650 PolarHBondContact N-O 2.73Å; E647-K650 PolarHBondContact O-N 2.88Å; E647-L652 HydrophobicContact CB-CD2 4.15Å; E647-L652 HydrophobicContact CB-CG 4.4Å; E647-L652 HydrophobicContact CG-CD1 4.02Å; E647-L652 HydrophobicContact CG-CD2 4.19Å; E647-L652 HydrophobicContact CG-CG 4.13Å
648	K	84	Confident	91.3	Very high	222 Å²	222	36.7 Å²	36.7	97%	0.965	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	34.2	179.3	-57.5	178.9	-178.1	175	0	113.6	K650	K648-K650 VanDerWaalsContact C-N 3.31Å; K648-K650 PolarHBondContact O-N 3.16Å
649	G	82	Confident	91	Very high	40 Å²	40	40.7 Å²	40.7	41%	0.412	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	8.5	-179.9	0	0	0	0	0	115.2	E647	E647-G649 PolarHBondContact O-N 3.3Å; E647-G649 VanDerWaalsContact O-N 3.07Å
650	K	86.6	Confident	90.7	Very high	91 Å²	91	43.4 Å²	43.4	40%	0.396	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	148.5	175.1	-62.6	-168.1	174.7	-148.4	0	110.7	E34 V646 E647 K648	E34-K650 IonicContact OE2-NZ 3.54Å; E34-K650 PolarHBondContact OE2-NZ 3.3Å; V646-K650 WeakPolarHBondContact CA-O 3.49Å; E647-K650 PolarHBondContact N-O 2.73Å; E647-K650 PolarHBondContact O-N 2.88Å; K648-K650 VanDerWaalsContact C-N 3.31Å; K648-K650 PolarHBondContact O-N 3.16Å
651	L	90.7	Very high	90.3	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.073	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	137	170.6	-67.6	171.8	0	0	0	110.2	W40 V644 V646 L653 K654 P697 M700 C713	W40-L651 HydrophobicContact CE3-CD1 3.89Å; W40-L651 HydrophobicContact CH2-CD1 4.17Å; W40-L651 HydrophobicContact CZ3-CD1 3.51Å; V644-L651 HydrophobicContact CB-CD2 4.45Å; V644-L651 HydrophobicContact CG1-CD2 3.87Å; V646-L651 HydrophobicContact CG2-CD2 4.01Å; L651-L653 VanDerWaalsContact C-N 3.26Å; L651-K654 PolarHBondContact O-NZ 2.81Å; L651-P697 HydrophobicContact CD1-CB 4.25Å; L651-P697 HydrophobicContact CD1-CG 3.71Å; L651-M700 HydrophobicContact CD2-CE 4.14Å; L651-C713 HydrophobicContact CD2-CB 3.74Å
652	L	91.5	Very high	89.7	Confident	46 Å²	46	49.4 Å²	49.4	24%	0.241	24%	0.238	C	C	.	.	S	Bend	trans	-73.1	-22.1	167.7	-73	-173.2	0	0	0	112.2	I645 E647 K654	I645-L652 HydrophobicContact CB-CD1 3.92Å; I645-L652 HydrophobicContact CB-CG 4.47Å; I645-L652 HydrophobicContact CG2-CD1 3.52Å; I645-L652 HydrophobicContact CG2-CG 4.18Å; I645-L652 PolarHBondContact O-N 2.91Å; I645-L652 VanDerWaalsContact O-N 3.13Å; E647-L652 HydrophobicContact CB-CD2 4.15Å; E647-L652 HydrophobicContact CB-CG 4.4Å; E647-L652 HydrophobicContact CG-CD1 4.02Å; E647-L652 HydrophobicContact CG-CD2 4.19Å; E647-L652 HydrophobicContact CG-CG 4.13Å; L652-K654 PolarHBondContact O-N 3.35Å
653	L	91.6	Very high	88.8	Confident	2 Å²	2	54 Å²	54	1%	0.01	26%	0.263	C	S	.	.			trans	-69.7	115.6	172.3	-173.7	68.8	0	0	0	109.8	I35 W40 V47 V644 L651 H657 I658 L674 V679	I35-L653 HydrophobicContact CD1-CB 4.37Å; I35-L653 HydrophobicContact CD1-CD2 4.04Å; I35-L653 HydrophobicContact CD1-CG 3.79Å; I35-L653 WeakPolarHBondContact CD1-O 3.42Å; W40-L653 HydrophobicContact CH2-CD2 4.38Å; W40-L653 HydrophobicContact CZ3-CD2 3.9Å; V47-L653 HydrophobicContact CG2-CD2 4.05Å; V644-L653 HydrophobicContact CG1-CB 3.85Å; L651-L653 VanDerWaalsContact C-N 3.26Å; L653-H657 HydrophobicContact CD1-CB 3.96Å; L653-I658 HydrophobicContact CD1-CD1 4.16Å; L653-I658 HydrophobicContact CD2-CD1 4.09Å; L653-I658 HydrophobicContact CG-CD1 4.27Å; L653-L674 HydrophobicContact CD1-CD1 3.96Å; L653-V679 HydrophobicContact CB-CG1 3.6Å; L653-V679 HydrophobicContact CD1-CG1 3.63Å; L653-V679 HydrophobicContact CG-CG1 4.2Å
654	K	91.1	Very high	87.4	Confident	54 Å²	54	59.9 Å²	59.9	24%	0.235	29%	0.288	C	S	.	.			trans	-104.1	165.4	179.2	-56.8	-50.9	-176.8	-169.5	0	112	L651 L652 S656 H657	L651-K654 PolarHBondContact O-NZ 2.81Å; L652-K654 PolarHBondContact O-N 3.35Å; K654-S656 VanDerWaalsContact C-N 3.33Å; K654-S656 WeakPolarHBondContact CB-OG 3.3Å; K654-H657 PolarHBondContact N-ND1 2.93Å; K654-H657 PolarHBondContact O-N 3.23Å
655	R	89.1	Confident	85.8	Confident	106 Å²	106	64.1 Å²	64.1	40%	0.4	32%	0.324	S	S	.	.	H	α-helix	trans	-64.5	-38.1	178.5	171.4	-176	173.9	177.8	-3.6	111.6	D33 I35 M39 H657 I658 E659	D33-R655 PolarHBondContact O-N 3.43Å; D33-R655 VanDerWaalsContact OD1-CB 3.32Å; D33-R655 WeakPolarHBondContact OD1-CB 3.37Å; D33-R655 PolarHBondContact OD1-N 2.78Å; I35-R655 HydrophobicContact CG1-CB 4.49Å; M39-R655 HydrophobicContact CE-CG 4.24Å; R655-H657 VanDerWaalsContact C-N 3.3Å; R655-H657 PolarHBondContact O-N 2.82Å; R655-I658 WeakPolarHBondContact O-CA 3.41Å; R655-I658 WeakPolarHBondContact O-CB 3.37Å; R655-I658 PolarHBondContact O-N 3.12Å; R655-E659 HydrophobicContact CG-CG 4.46Å; R655-E659 IonicContact CZ-OE1 3.87Å; R655-E659 IonicContact NE-OE1 3.75Å; R655-E659 PolarHBondContact NE-OE1 3.21Å; R655-E659 IonicContact NH2-OE1 3.86Å; R655-E659 PolarHBondContact NH2-OE1 2.94Å; R655-E659 VanDerWaalsContact NH2-OE1 3.15Å; R655-E659 PolarHBondContact O-N 2.84Å
656	S	89.6	Confident	84.2	Confident	41 Å²	41	74.5 Å²	74.5	29%	0.287	36%	0.364	S	S	.	.	H	α-helix	trans	-49.2	-45.2	171.4	48.7	0	0	0	0	113.5	D33 K654 I658 E659 L660	D33-S656 PolarHBondContact OD1-N 2.91Å; D33-S656 WeakPolarHBondContact OD2-CB 3.45Å; D33-S656 PolarHBondContact OD2-OG 3.37Å; K654-S656 VanDerWaalsContact C-N 3.33Å; K654-S656 WeakPolarHBondContact CB-OG 3.3Å; S656-I658 VanDerWaalsContact C-N 3.31Å; S656-I658 PolarHBondContact O-N 3.01Å; S656-E659 PolarHBondContact O-N 3.37Å; S656-L660 WeakPolarHBondContact O-CG 3.47Å; S656-L660 PolarHBondContact O-N 3.22Å
657	H	90.5	Very high	82.8	Confident	36 Å²	36	77.9 Å²	77.9	17%	0.167	38%	0.382	C	S	.	.	H	α-helix	trans	-61.9	-37.1	175.3	-59.2	144	0	0	0	112.9	L653 K654 R655 L661 L674 V679	L653-H657 HydrophobicContact CD1-CB 3.96Å; K654-H657 PolarHBondContact N-ND1 2.93Å; K654-H657 PolarHBondContact O-N 3.23Å; R655-H657 VanDerWaalsContact C-N 3.3Å; R655-H657 PolarHBondContact O-N 2.82Å; H657-L661 WeakPolarHBondContact O-CG 3.27Å; H657-L661 PolarHBondContact O-N 2.95Å; H657-L661 VanDerWaalsContact O-N 3.08Å; H657-L674 HydrophobicContact CB-CD1 4.28Å; H657-V679 VanDerWaalsContact CE1-CG2 3.49Å; H657-V679 WeakPolarHBondContact CE1-CG2 3.18Å
658	I	89.2	Confident	82.1	Confident	11 Å²	11	85.1 Å²	85.1	6%	0.056	41%	0.406	C	S	.	.	H	α-helix	trans	-70.3	-39.6	179.2	-56.5	-59.6	0	0	0	111.1	I35 A43 I46 V47 L653 R655 S656 L661 K662	I35-I658 HydrophobicContact CD1-CG1 3.98Å; A43-I658 HydrophobicContact CB-CD1 3.99Å; A43-I658 HydrophobicContact CB-CG1 4.05Å; A43-I658 HydrophobicContact CB-CG2 4.38Å; I46-I658 HydrophobicContact CD1-CG2 3.91Å; V47-I658 HydrophobicContact CG2-CD1 3.62Å; L653-I658 HydrophobicContact CD1-CD1 4.16Å; L653-I658 HydrophobicContact CD2-CD1 4.09Å; L653-I658 HydrophobicContact CG-CD1 4.27Å; R655-I658 WeakPolarHBondContact O-CA 3.41Å; R655-I658 WeakPolarHBondContact O-CB 3.37Å; R655-I658 PolarHBondContact O-N 3.12Å; S656-I658 VanDerWaalsContact C-N 3.31Å; S656-I658 PolarHBondContact O-N 3.01Å; I658-L661 PolarHBondContact O-N 3.02Å; I658-K662 WeakPolarHBondContact O-CG 3.36Å; I658-K662 PolarHBondContact O-N 2.99Å; I658-K662 VanDerWaalsContact O-N 3.09Å
659	E	87.9	Confident	82.1	Confident	89 Å²	89	76.6 Å²	76.6	42%	0.416	37%	0.368	S	S	.	.	H	α-helix	trans	-64.3	-42.3	176.2	-69.1	178.8	178.1	0	0	110.7	R655 S656 L661 K662 D663	R655-E659 HydrophobicContact CG-CG 4.46Å; R655-E659 IonicContact CZ-OE1 3.87Å; R655-E659 IonicContact NE-OE1 3.75Å; R655-E659 PolarHBondContact NE-OE1 3.21Å; R655-E659 IonicContact NH2-OE1 3.86Å; R655-E659 PolarHBondContact NH2-OE1 2.94Å; R655-E659 VanDerWaalsContact NH2-OE1 3.15Å; R655-E659 PolarHBondContact O-N 2.84Å; S656-E659 PolarHBondContact O-N 3.37Å; E659-L661 VanDerWaalsContact C-N 3.33Å; E659-L661 PolarHBondContact O-N 3.31Å; E659-K662 PolarHBondContact O-N 2.94Å; E659-K662 VanDerWaalsContact O-N 3.13Å; E659-D663 PolarHBondContact O-N 2.81Å
660	L	88.5	Confident	82.4	Confident	61 Å²	61	76.5 Å²	76.5	32%	0.319	36%	0.361	S	S	.	.	H	α-helix	trans	-59.5	-39	172.7	-69.3	170.8	0	0	0	113.1	S656 K662 N667 Y669	S656-L660 WeakPolarHBondContact O-CG 3.47Å; S656-L660 PolarHBondContact O-N 3.22Å; L660-K662 VanDerWaalsContact C-N 3.34Å; L660-N667 VanDerWaalsContact CD2-ND2 3.33Å; L660-N667 WeakPolarHBondContact CD2-ND2 3.19Å; L660-Y669 HydrophobicContact CB-CD1 3.83Å; L660-Y669 HydrophobicContact CB-CE1 4.41Å; L660-Y669 HydrophobicContact CB-CG 3.96Å
661	L	86.3	Confident	82.6	Confident	4 Å²	4	72.2 Å²	72.2	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-71.1	-26	176.9	-74.3	172.4	0	0	0	113.5	I46 V47 H657 I658 E659 Y669 L674	I46-L661 HydrophobicContact CG2-CB 3.94Å; V47-L661 HydrophobicContact CG2-CD1 4.01Å; H657-L661 WeakPolarHBondContact O-CG 3.27Å; H657-L661 PolarHBondContact O-N 2.95Å; H657-L661 VanDerWaalsContact O-N 3.08Å; I658-L661 PolarHBondContact O-N 3.02Å; E659-L661 VanDerWaalsContact C-N 3.33Å; E659-L661 PolarHBondContact O-N 3.31Å; L661-Y669 HydrophobicContact CD2-CD1 3.67Å; L661-Y669 HydrophobicContact CD2-CE1 4.22Å; L661-Y669 HydrophobicContact CG-CD1 3.85Å; L661-Y669 HydrophobicContact CG-CE1 4.22Å; L661-L674 HydrophobicContact CD1-CD2 4.49Å
662	K	84.1	Confident	82.5	Confident	126 Å²	126	74.5 Å²	74.5	55%	0.548	35%	0.353	S	S	.	.	H	α-helix	trans	-75.2	-39.4	177.1	-75.7	176.3	-179.6	178.4	0	111.7	I46 I658 E659 L660 K664	I46-K662 HydrophobicContact CD1-CD 4.26Å; I46-K662 HydrophobicContact CD1-CG 4.09Å; I46-K662 HydrophobicContact CG2-CG 4.4Å; I658-K662 WeakPolarHBondContact O-CG 3.36Å; I658-K662 PolarHBondContact O-N 2.99Å; I658-K662 VanDerWaalsContact O-N 3.09Å; E659-K662 PolarHBondContact O-N 2.94Å; E659-K662 VanDerWaalsContact O-N 3.13Å; L660-K662 VanDerWaalsContact C-N 3.34Å; K662-K664 PolarHBondContact O-N 3.03Å
663	D	76.4	Confident	82.4	Confident	99 Å²	99	74.8 Å²	74.8	53%	0.529	36%	0.355	S	S	.	.			trans	-80.7	50.8	-174.6	-77.1	-17.1	0	0	0	114	E659 A665 Y666 N667	E659-D663 PolarHBondContact O-N 2.81Å; D663-A665 PolarHBondContact O-N 3.34Å; D663-Y666 PolarHBondContact O-N 2.95Å; D663-N667 PolarHBondContact O-N 3.1Å
664	K	66.4	Low	82.4	Confident	122 Å²	122	74.7 Å²	74.7	53%	0.53	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.6	179.1	-67.7	-175.3	174.8	179.1	0	114.3	D53 K662	D53-K664 IonicContact OD2-NZ 3.71Å; D53-K664 PolarHBondContact OD2-NZ 3.06Å; K662-K664 PolarHBondContact O-N 3.03Å
665	A	60.6	Low	82.3	Confident	91 Å²	91	72.4 Å²	72.4	75%	0.752	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-29.8	-177.1	0	0	0	0	0	113.2	D663	D663-A665 PolarHBondContact O-N 3.34Å
666	Y	61.4	Low	82.3	Confident	217 Å²	217	71 Å²	71	85%	0.851	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	-33.2	-173.7	-63.5	-76.7	0	0	0	112.7	D663	D663-Y666 PolarHBondContact O-N 2.95Å
667	N	63.1	Low	82.3	Confident	79 Å²	79	71.6 Å²	71.6	42%	0.422	35%	0.349	S	S	.	.			trans	-116.3	123.3	-178.1	-139.4	-13.5	0	0	0	109.9	L660 D663 Y669	L660-N667 VanDerWaalsContact CD2-ND2 3.33Å; L660-N667 WeakPolarHBondContact CD2-ND2 3.19Å; D663-N667 PolarHBondContact O-N 3.1Å; N667-Y669 PolarHBondContact O-N 3.3Å
668	R	73.1	Confident	82.2	Confident	236 Å²	236	70.3 Å²	70.3	89%	0.891	35%	0.345	S	S	*	.			trans	-81.7	44.7	176.6	-69.1	-174.1	-179.5	173.8	1.1	110.9	S670	R668-S670 PolarHBondContact O-N 3.46Å
669	Y	85.4	Confident	82.4	Confident	43 Å²	43	70 Å²	70	17%	0.169	34%	0.343	C	S	.	.			trans	-74.7	111.6	177.1	-161.1	-106.5	0	0	0	109	L660 L661 N667 D673 L674 S677	L660-Y669 HydrophobicContact CB-CD1 3.83Å; L660-Y669 HydrophobicContact CB-CE1 4.41Å; L660-Y669 HydrophobicContact CB-CG 3.96Å; L661-Y669 HydrophobicContact CD2-CD1 3.67Å; L661-Y669 HydrophobicContact CD2-CE1 4.22Å; L661-Y669 HydrophobicContact CG-CD1 3.85Å; L661-Y669 HydrophobicContact CG-CE1 4.22Å; N667-Y669 PolarHBondContact O-N 3.3Å; Y669-D673 HydrophobicContact CD2-CB 3.65Å; Y669-D673 HydrophobicContact CE2-CB 3.47Å; Y669-D673 VanDerWaalsContact CE2-CB 3.47Å; Y669-D673 HydrophobicContact CG-CB 4.29Å; Y669-D673 PolarHBondContact OH-O 3.23Å; Y669-L674 HydrophobicContact CE1-CD1 4.24Å; Y669-S677 PolarHBondContact OH-OG 3.47Å
670	S	87.1	Confident	82.6	Confident	39 Å²	39	66 Å²	66	27%	0.273	33%	0.325	S	S	.	.			trans	-106.1	176.1	-171.3	67.5	0	0	0	0	112.3	R668 Q672 D673 L674	R668-S670 PolarHBondContact O-N 3.46Å; S670-Q672 VanDerWaalsContact C-N 3.27Å; S670-Q672 PolarHBondContact O-N 3.46Å; S670-Q672 PolarHBondContact OG-N 2.76Å; S670-D673 WeakPolarHBondContact CB-OD2 3.43Å; S670-D673 PolarHBondContact N-OD2 3.41Å; S670-D673 PolarHBondContact O-N 3.11Å; S670-D673 VanDerWaalsContact OG-CG 3.32Å; S670-D673 PolarHBondContact OG-N 2.93Å; S670-D673 PolarHBondContact OG-OD2 3.06Å; S670-L674 PolarHBondContact O-N 3.41Å
671	W	90.8	Very high	82.9	Confident	1 Å²	1	63.4 Å²	63.4	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-38.5	171.9	167.6	-88.4	0	0	0	110.9	V47 Y51 E54 M547 P642 D673 L674 V675 V680 Y682 I715	V47-W671 HydrophobicContact CG1-CE3 4.43Å; V47-W671 HydrophobicContact CG1-CZ3 3.72Å; Y51-W671 AromaticContact CD2-CD2 3.79Å; Y51-W671 HydrophobicContact CD2-CD2 3.79Å; Y51-W671 AromaticContact CD2-CE2 3.55Å; Y51-W671 HydrophobicContact CD2-CE3 4.16Å; Y51-W671 HydrophobicContact CD2-CG 4.31Å; Y51-W671 AromaticContact CD2-CH2 3.97Å; Y51-W671 HydrophobicContact CD2-CH2 3.97Å; Y51-W671 AromaticContact CD2-CZ2 3.66Å; Y51-W671 HydrophobicContact CD2-CZ2 3.66Å; Y51-W671 HydrophobicContact CD2-CZ3 4.24Å; Y51-W671 AromaticContact CD2-NE1 3.97Å; Y51-W671 HydrophobicContact CE2-CZ2 4.23Å; Y51-W671 HydrophobicContact CG-CD2 4.42Å; Y51-W671 HydrophobicContact CG-CE3 4.46Å; E54-W671 HydrophobicContact CB-CB 4.36Å; E54-W671 WeakPolarHBondContact OE2-CB 3.46Å; E54-W671 PolarHBondContact OE2-N 3.14Å; M547-W671 HydrophobicContact CE-CH2 4.35Å; P642-W671 HydrophobicContact CB-CH2 3.72Å; P642-W671 HydrophobicContact CB-CZ2 3.58Å; P642-W671 HydrophobicContact CG-CH2 4.1Å; P642-W671 HydrophobicContact CG-CZ2 4.1Å; W671-D673 VanDerWaalsContact C-N 3.28Å; W671-D673 PolarHBondContact O-N 3.28Å; W671-L674 HydrophobicContact CE3-CD2 4.13Å; W671-L674 HydrophobicContact CZ3-CD2 4.13Å; W671-L674 WeakPolarHBondContact O-CB 3.34Å; W671-L674 PolarHBondContact O-N 3.08Å; W671-L674 VanDerWaalsContact O-N 3.1Å; W671-V675 HydrophobicContact CZ2-CG2 4.28Å; W671-V675 PolarHBondContact O-N 3.24Å; W671-V680 HydrophobicContact CH2-CB 4.31Å; W671-V680 HydrophobicContact CH2-CG1 3.58Å; W671-V680 HydrophobicContact CH2-CG2 4.22Å; W671-V680 HydrophobicContact CZ2-CB 4.47Å; W671-V680 HydrophobicContact CZ2-CG1 3.69Å; W671-V680 HydrophobicContact CZ3-CG2 4.5Å; W671-Y682 AromaticContact NE1-CZ 3.98Å; W671-Y682 PolarHBondContact NE1-OH 3.17Å; W671-Y682 VanDerWaalsContact NE1-OH 3.14Å; W671-I715 HydrophobicContact CH2-CD1 4.23Å
672	Q	88.5	Confident	83.3	Confident	61 Å²	61	63.7 Å²	63.7	29%	0.285	31%	0.312	S	S	.	.	H	α-helix	trans	-58.6	-39.9	175.3	-170.8	62.6	25.5	0	0	112	E54 S670 L674 V675 L676	E54-Q672 PolarHBondContact OE2-N 2.88Å; S670-Q672 VanDerWaalsContact C-N 3.27Å; S670-Q672 PolarHBondContact O-N 3.46Å; S670-Q672 PolarHBondContact OG-N 2.76Å; Q672-L674 VanDerWaalsContact C-N 3.28Å; Q672-L674 PolarHBondContact O-N 3.45Å; Q672-V675 PolarHBondContact O-N 2.75Å; Q672-V675 VanDerWaalsContact O-N 3.15Å; Q672-L676 HydrophobicContact CG-CD1 4.32Å; Q672-L676 VanDerWaalsContact O-CG 3.31Å; Q672-L676 WeakPolarHBondContact O-CG 3.41Å; Q672-L676 PolarHBondContact O-N 3.33Å
673	D	90.2	Very high	83.8	Confident	53 Å²	53	57.7 Å²	57.7	28%	0.283	29%	0.286	S	S	.	.	H	α-helix	trans	-66.7	-31.4	176.7	-56.9	-55.1	0	0	0	112.3	Y669 S670 W671 V675 L676 S677	Y669-D673 HydrophobicContact CD2-CB 3.65Å; Y669-D673 HydrophobicContact CE2-CB 3.47Å; Y669-D673 VanDerWaalsContact CE2-CB 3.47Å; Y669-D673 HydrophobicContact CG-CB 4.29Å; Y669-D673 PolarHBondContact OH-O 3.23Å; S670-D673 WeakPolarHBondContact CB-OD2 3.43Å; S670-D673 PolarHBondContact N-OD2 3.41Å; S670-D673 PolarHBondContact O-N 3.11Å; S670-D673 VanDerWaalsContact OG-CG 3.32Å; S670-D673 PolarHBondContact OG-N 2.93Å; S670-D673 PolarHBondContact OG-OD2 3.06Å; W671-D673 VanDerWaalsContact C-N 3.28Å; W671-D673 PolarHBondContact O-N 3.28Å; D673-V675 VanDerWaalsContact C-N 3.34Å; D673-L676 PolarHBondContact O-N 3.16Å; D673-S677 WeakPolarHBondContact O-CB 3.46Å; D673-S677 PolarHBondContact O-N 2.94Å; D673-S677 PolarHBondContact O-OG 3.48Å
674	L	90.3	Very high	84.7	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.5	-29.9	173.4	-166.8	72	0	0	0	112.6	V47 L653 H657 L661 Y669 S670 W671 Q672 S677 V679 V680	V47-L674 HydrophobicContact CG1-CD2 3.93Å; L653-L674 HydrophobicContact CD1-CD1 3.96Å; H657-L674 HydrophobicContact CB-CD1 4.28Å; L661-L674 HydrophobicContact CD1-CD2 4.49Å; Y669-L674 HydrophobicContact CE1-CD1 4.24Å; S670-L674 PolarHBondContact O-N 3.41Å; W671-L674 HydrophobicContact CE3-CD2 4.13Å; W671-L674 HydrophobicContact CZ3-CD2 4.13Å; W671-L674 WeakPolarHBondContact O-CB 3.34Å; W671-L674 PolarHBondContact O-N 3.08Å; W671-L674 VanDerWaalsContact O-N 3.1Å; Q672-L674 VanDerWaalsContact C-N 3.28Å; Q672-L674 PolarHBondContact O-N 3.45Å; L674-S677 WeakPolarHBondContact CA-OG 3.35Å; L674-S677 PolarHBondContact O-OG 2.96Å; L674-V679 HydrophobicContact CD1-CB 4.12Å; L674-V679 HydrophobicContact CD1-CG1 4.17Å; L674-V679 HydrophobicContact CD1-CG2 4.44Å; L674-V679 HydrophobicContact CG-CB 4.37Å; L674-V679 PolarHBondContact O-N 3.24Å; L674-V680 HydrophobicContact CD2-CG2 3.77Å; L674-V680 HydrophobicContact CG-CG2 4.06Å
675	V	90.5	Very high	86.1	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-74.4	-43	171.7	177.2	0	0	0	0	110.2	V612 W671 Q672 D673 S677 G678 Y682	V612-V675 HydrophobicContact CG2-CG1 4.3Å; W671-V675 HydrophobicContact CZ2-CG2 4.28Å; W671-V675 PolarHBondContact O-N 3.24Å; Q672-V675 PolarHBondContact O-N 2.75Å; Q672-V675 VanDerWaalsContact O-N 3.15Å; D673-V675 VanDerWaalsContact C-N 3.34Å; V675-S677 VanDerWaalsContact C-N 3.28Å; V675-S677 PolarHBondContact O-N 2.76Å; V675-G678 PolarHBondContact O-N 2.56Å; V675-Y682 HydrophobicContact CG2-CE2 4.25Å
676	L	89.1	Confident	87.7	Confident	78 Å²	78	43.7 Å²	43.7	41%	0.408	21%	0.205	S	C	.	.	H	α-helix	trans	-64.1	-30.3	177.7	-70.8	171	0	0	0	112.9	V612 Q672 D673 G678	V612-L676 HydrophobicContact CB-CD2 3.68Å; V612-L676 HydrophobicContact CG1-CD2 4.28Å; V612-L676 HydrophobicContact CG2-CD2 3.79Å; Q672-L676 HydrophobicContact CG-CD1 4.32Å; Q672-L676 VanDerWaalsContact O-CG 3.31Å; Q672-L676 WeakPolarHBondContact O-CG 3.41Å; Q672-L676 PolarHBondContact O-N 3.33Å; D673-L676 PolarHBondContact O-N 3.16Å; L676-G678 PolarHBondContact O-N 3.18Å
677	S	88.7	Confident	89.3	Confident	53 Å²	53	33.4 Å²	33.4	37%	0.371	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-2.4	173.6	63.9	0	0	0	0	113.7	Y669 D673 L674 V675 V679	Y669-S677 PolarHBondContact OH-OG 3.47Å; D673-S677 WeakPolarHBondContact O-CB 3.46Å; D673-S677 PolarHBondContact O-N 2.94Å; D673-S677 PolarHBondContact O-OG 3.48Å; L674-S677 WeakPolarHBondContact CA-OG 3.35Å; L674-S677 PolarHBondContact O-OG 2.96Å; V675-S677 VanDerWaalsContact C-N 3.28Å; V675-S677 PolarHBondContact O-N 2.76Å; S677-V679 VanDerWaalsContact C-N 3.29Å; S677-V679 PolarHBondContact O-N 3.17Å; S677-V679 VanDerWaalsContact OG-CG2 3.29Å; S677-V679 WeakPolarHBondContact OG-CG2 3.44Å
678	G	89.1	Confident	90.8	Very high	8 Å²	8	31.4 Å²	31.4	8%	0.082	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	25.6	178.3	0	0	0	0	0	113.7	I645 V675 L676	I645-G678 WeakPolarHBondContact CD1-O 3.4Å; V675-G678 PolarHBondContact O-N 2.56Å; L676-G678 PolarHBondContact O-N 3.18Å
679	V	91.8	Very high	91.8	Very high	4 Å²	4	26 Å²	26	2%	0.024	14%	0.137	C	C	.	.	S	Bend	trans	-89.7	-30.8	-180	177.3	0	0	0	0	111.9	I645 L653 H657 L674 S677	I645-V679 PolarHBondContact N-O 3.11Å; L653-V679 HydrophobicContact CB-CG1 3.6Å; L653-V679 HydrophobicContact CD1-CG1 3.63Å; L653-V679 HydrophobicContact CG-CG1 4.2Å; H657-V679 VanDerWaalsContact CE1-CG2 3.49Å; H657-V679 WeakPolarHBondContact CE1-CG2 3.18Å; L674-V679 HydrophobicContact CD1-CB 4.12Å; L674-V679 HydrophobicContact CD1-CG1 4.17Å; L674-V679 HydrophobicContact CD1-CG2 4.44Å; L674-V679 HydrophobicContact CG-CB 4.37Å; L674-V679 PolarHBondContact O-N 3.24Å; S677-V679 VanDerWaalsContact C-N 3.29Å; S677-V679 PolarHBondContact O-N 3.17Å; S677-V679 VanDerWaalsContact OG-CG2 3.29Å; S677-V679 WeakPolarHBondContact OG-CG2 3.44Å
680	V	93.2	Very high	92.1	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.03	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.4	-178.5	178.8	0	0	0	0	110.6	P642 L643 W671 L674	P642-V680 HydrophobicContact CB-CG1 3.7Å; L643-V680 WeakPolarHBondContact O-CA 3.47Å; L643-V680 WeakPolarHBondContact O-CG1 3.41Å; W671-V680 HydrophobicContact CH2-CB 4.31Å; W671-V680 HydrophobicContact CH2-CG1 3.58Å; W671-V680 HydrophobicContact CH2-CG2 4.22Å; W671-V680 HydrophobicContact CZ2-CB 4.47Å; W671-V680 HydrophobicContact CZ2-CG1 3.69Å; W671-V680 HydrophobicContact CZ3-CG2 4.5Å; L674-V680 HydrophobicContact CD2-CG2 3.77Å; L674-V680 HydrophobicContact CG-CG2 4.06Å
681	E	93.7	Very high	92.4	Very high	7 Å²	7	25.4 Å²	25.4	3%	0.033	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.1	179.5	-163.1	166	175.8	0	0	111.3	R609 R610 P642 L643 I645 I683 H712	R609-E681 WeakPolarHBondContact CD-OE1 3.32Å; R609-E681 IonicContact CZ-OE1 2.73Å; R609-E681 IonicContact NE-OE1 3.87Å; R609-E681 PolarHBondContact NE-OE1 2.94Å; R609-E681 IonicContact NH1-OE1 3.06Å; R609-E681 PolarHBondContact NH1-OE1 3.05Å; R610-E681 IonicContact NE-OE2 3.65Å; R610-E681 PolarHBondContact NE-OE2 3.15Å; R610-E681 IonicContact NH2-OE2 3.56Å; P642-E681 CarbonylContact C-O 3.59Å; P642-E681 WeakPolarHBondContact CA-O 3.5Å; L643-E681 PolarHBondContact N-O 3.01Å; L643-E681 PolarHBondContact O-N 2.72Å; I645-E681 HydrophobicContact CD1-CB 3.94Å; I645-E681 HydrophobicContact CG1-CB 3.97Å; E681-I683 HydrophobicContact CB-CD1 4.27Å; E681-I683 HydrophobicContact CG-CD1 3.92Å; E681-I683 PolarHBondContact O-N 3.36Å; E681-H712 IonicContact OE2-NE2 3.18Å
682	Y	94.8	Very high	92.5	Very high	10 Å²	10	29 Å²	29	4%	0.039	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	99.4	179.1	-80.1	-81.9	0	0	0	111.6	Y549 R609 R641 P642 W671 V675	Y549-Y682 HydrophobicContact CD1-CD1 4.49Å; Y549-Y682 HydrophobicContact CD1-CE1 4.37Å; Y549-Y682 HydrophobicContact CG-CE1 4.32Å; R609-Y682 PolarHBondContact NH2-O 3.04Å; R641-Y682 CarbonylContact O-C 3.52Å; P642-Y682 HydrophobicContact CB-CD1 4.14Å; P642-Y682 HydrophobicContact CB-CE1 4.01Å; P642-Y682 HydrophobicContact CG-CE1 4.26Å; W671-Y682 AromaticContact NE1-CZ 3.98Å; W671-Y682 PolarHBondContact NE1-OH 3.17Å; W671-Y682 VanDerWaalsContact NE1-OH 3.14Å; V675-Y682 HydrophobicContact CG2-CE2 4.25Å
683	I	96	Very high	92.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.1	-176.8	-56.3	-54.3	0	0	0	110.1	C640 R641 L643 E681 E687 E688 V691	C640-I683 CarbonylContact C-O 3.57Å; C640-I683 WeakPolarHBondContact CA-O 3.3Å; C640-I683 VanDerWaalsContact CB-O 3.28Å; C640-I683 WeakPolarHBondContact CB-O 3.25Å; R641-I683 PolarHBondContact N-O 3.3Å; R641-I683 PolarHBondContact O-N 3.39Å; L643-I683 HydrophobicContact CD1-CB 4.07Å; L643-I683 HydrophobicContact CD1-CG1 3.88Å; L643-I683 HydrophobicContact CG-CG1 4.42Å; E681-I683 HydrophobicContact CB-CD1 4.27Å; E681-I683 HydrophobicContact CG-CD1 3.92Å; E681-I683 PolarHBondContact O-N 3.36Å; I683-E687 VanDerWaalsContact CD1-CD 3.5Å; I683-E687 HydrophobicContact CD1-CG 4.17Å; I683-E687 HydrophobicContact CG2-CB 3.97Å; I683-E687 HydrophobicContact CG2-CG 4.04Å; I683-E688 HydrophobicContact CG2-CB 4.22Å; I683-V691 HydrophobicContact CG2-CG2 4.2Å
684	D	95.7	Very high	92.9	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	169.8	172.3	83.8	4.7	0	0	0	112.4	S620 R638 I639 C640 L686 E687 E688	S620-D684 VanDerWaalsContact CB-CG 3.44Å; S620-D684 WeakPolarHBondContact CB-OD2 3.44Å; S620-D684 PolarHBondContact OG-OD1 3.08Å; S620-D684 PolarHBondContact OG-OD2 3.37Å; R638-D684 WeakPolarHBondContact CD-OD2 3.42Å; R638-D684 IonicContact NH1-OD2 3.13Å; R638-D684 PolarHBondContact NH1-OD2 3.42Å; R638-D684 VanDerWaalsContact NH1-OD2 3.15Å; I639-D684 WeakPolarHBondContact O-CA 3.06Å; I639-D684 WeakPolarHBondContact O-CB 3.45Å; C640-D684 HydrophobicContact CB-CB 3.95Å; D684-L686 PolarHBondContact O-N 3.34Å; D684-L686 PolarHBondContact OD1-N 3.22Å; D684-E687 PolarHBondContact O-N 2.92Å; D684-E687 WeakPolarHBondContact OD1-CB 3.49Å; D684-E687 PolarHBondContact OD1-N 3.34Å; D684-E688 WeakPolarHBondContact O-CB 3.24Å; D684-E688 PolarHBondContact O-N 2.81Å
685	T	95.9	Very high	92.9	Very high	6 Å²	6	28.5 Å²	28.5	4%	0.037	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.4	-176.4	44.5	0	0	0	0	115.5	G407 M526 I639	G407-T685 WeakPolarHBondContact CA-OG1 3.19Å; G407-T685 PolarHBondContact N-OG1 2.93Å; M526-T685 HydrophobicContact CE-CG2 3.77Å; M526-T685 HydrophobicContact CG-CG2 3.62Å; M526-T685 HydrophobicContact SD-CG2 4.25Å; I639-T685 HydrophobicContact CG2-CG2 3.81Å
686	L	94.2	Very high	92.8	Very high	12 Å²	12	28.8 Å²	28.8	6%	0.063	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-40.2	176.7	-74.1	173.6	0	0	0	110.3	I622 Y633 D684 E688 E689	I622-L686 HydrophobicContact CD1-CB 3.92Å; I622-L686 HydrophobicContact CG1-CB 3.93Å; Y633-L686 HydrophobicContact CD2-CD1 4.08Å; Y633-L686 HydrophobicContact CE2-CD1 3.68Å; D684-L686 PolarHBondContact O-N 3.34Å; D684-L686 PolarHBondContact OD1-N 3.22Å; L686-E688 PolarHBondContact O-N 3.28Å; L686-E689 PolarHBondContact O-N 2.89Å
687	E	94.7	Very high	92.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-63.9	-34.9	173.1	-171.6	172	-168.5	0	0	111.1	R609 I622 I683 D684 E689 T690 V691	R609-E687 IonicContact CZ-OE2 2.79Å; R609-E687 VanDerWaalsContact NH1-CD 3.34Å; R609-E687 IonicContact NH1-OE1 2.64Å; R609-E687 PolarHBondContact NH1-OE1 3.15Å; R609-E687 IonicContact NH1-OE2 2.86Å; R609-E687 PolarHBondContact NH1-OE2 2.89Å; R609-E687 IonicContact NH2-OE2 3.63Å; I622-E687 HydrophobicContact CG1-CB 4.26Å; I683-E687 VanDerWaalsContact CD1-CD 3.5Å; I683-E687 HydrophobicContact CD1-CG 4.17Å; I683-E687 HydrophobicContact CG2-CB 3.97Å; I683-E687 HydrophobicContact CG2-CG 4.04Å; D684-E687 PolarHBondContact O-N 2.92Å; D684-E687 WeakPolarHBondContact OD1-CB 3.49Å; D684-E687 PolarHBondContact OD1-N 3.34Å; E687-E689 PolarHBondContact O-N 3.09Å; E687-E689 VanDerWaalsContact O-N 3.13Å; E687-T690 PolarHBondContact O-N 3.17Å; E687-T690 PolarHBondContact O-OG1 3.08Å; E687-V691 HydrophobicContact CG-CG1 4.35Å; E687-V691 PolarHBondContact O-N 3.33Å
688	E	95.1	Very high	92.4	Very high	37 Å²	37	25.8 Å²	25.8	17%	0.173	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-54	-29.6	175.2	-170.2	165.1	-167.4	0	0	113.5	R641 I683 D684 L686 T690 I693	R641-E688 IonicContact CZ-OE1 2.72Å; R641-E688 IonicContact NE-OE1 3.8Å; R641-E688 IonicContact NE-OE2 3.92Å; R641-E688 IonicContact NH2-OE1 2.89Å; R641-E688 PolarHBondContact NH2-OE1 3.13Å; I683-E688 HydrophobicContact CG2-CB 4.22Å; D684-E688 WeakPolarHBondContact O-CB 3.24Å; D684-E688 PolarHBondContact O-N 2.81Å; L686-E688 PolarHBondContact O-N 3.28Å; E688-T690 PolarHBondContact O-N 3.18Å; E688-I693 HydrophobicContact CG-CD1 4.2Å
689	E	92.6	Very high	92	Very high	121 Å²	121	30.5 Å²	30.5	57%	0.565	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-68.3	-22.1	176.9	-66	-177	-136.9	0	0	113.4	H405 L686 E687	H405-E689 IonicContact CD2-OE1 2.62Å; H405-E689 IonicContact CE1-OE1 3.86Å; H405-E689 PolarHBondContact CE1-OE1 2.86Å; H405-E689 IonicContact ND1-OE1 2.79Å; H405-E689 IonicContact NE2-OE1 3.85Å; H405-E689 PolarHBondContact NE2-OE1 2.88Å; L686-E689 PolarHBondContact O-N 2.89Å; E687-E689 PolarHBondContact O-N 3.09Å; E687-E689 VanDerWaalsContact O-N 3.13Å
690	T	92.3	Very high	91.6	Very high	52 Å²	52	31 Å²	31	32%	0.319	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-13	-174.2	64.7	0	0	0	0	114.2	I622 E687 E688	I622-T690 HydrophobicContact CG2-CG2 3.62Å; E687-T690 PolarHBondContact O-N 3.17Å; E687-T690 PolarHBondContact O-OG1 3.08Å; E688-T690 PolarHBondContact O-N 3.18Å
691	V	93.4	Very high	90.9	Very high	18 Å²	18	36.1 Å²	36.1	11%	0.109	19%	0.191	C	C	.	.			trans	-96.9	153.9	-178	-64.6	0	0	0	0	111.2	I683 E687 I693 T711	I683-V691 HydrophobicContact CG2-CG2 4.2Å; E687-V691 HydrophobicContact CG-CG1 4.35Å; E687-V691 PolarHBondContact O-N 3.33Å; V691-I693 HydrophobicContact CG2-CD1 4.05Å; V691-I693 HydrophobicContact CG2-CG1 3.97Å; V691-T711 WeakPolarHBondContact CB-OG1 3.46Å
692	M	93.2	Very high	90.2	Very high	78 Å²	78	39.2 Å²	39.2	38%	0.384	22%	0.218	S	C	.	.			trans	-111.4	115.5	172.9	-171	64.6	-173.1	0	0	109.4	Y706 C707 T711 H712	M692-Y706 HydrophobicContact CE-CE2 4.46Å; M692-C707 HydrophobicContact CE-CB 4.34Å; M692-T711 PolarHBondContact N-OG1 3.46Å; M692-T711 PolarHBondContact O-N 3.21Å; M692-T711 PolarHBondContact O-OG1 2.8Å; M692-H712 PolarHBondContact O-N 3.01Å
693	I	94.3	Very high	89.3	Confident	36 Å²	36	38.7 Å²	38.7	19%	0.185	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.8	-171.2	-53	170.8	0	0	0	109.9	R641 L643 E688 V691 H712	R641-I693 VanDerWaalsContact NH2-CD1 3.29Å; L643-I693 HydrophobicContact CD1-CD1 3.54Å; L643-I693 HydrophobicContact CD1-CG1 3.99Å; L643-I693 HydrophobicContact CD1-CG2 4.35Å; E688-I693 HydrophobicContact CG-CD1 4.2Å; V691-I693 HydrophobicContact CG2-CD1 4.05Å; V691-I693 HydrophobicContact CG2-CG1 3.97Å; I693-H712 CarbonylContact C-O 3.59Å; I693-H712 WeakPolarHBondContact CA-O 3.46Å; I693-H712 HydrophobicContact CG1-CB 4.24Å
694	A	92.8	Very high	88.1	Confident	3 Å²	3	42.3 Å²	42.3	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	144.7	169.3	0	0	0	0	0	111	M700 H712 C713 E714	A694-M700 HydrophobicContact CB-CB 4.04Å; A694-M700 HydrophobicContact CB-CE 3.68Å; A694-M700 HydrophobicContact CB-CG 4.27Å; A694-H712 PolarHBondContact N-O 3.45Å; A694-C713 HydrophobicContact CB-CB 4.48Å; A694-C713 CarbonylContact O-C 3.54Å; A694-C713 WeakPolarHBondContact O-CA 3.3Å; A694-E714 PolarHBondContact O-N 3.25Å
695	M	90.9	Very high	87.1	Confident	64 Å²	64	49.9 Å²	49.9	32%	0.315	28%	0.278	S	S	.	.	S	Bend	trans	-76.1	-27.1	178.2	-64.3	-66.9	-63.7	0	0	113.3	W524 E699 P717	W524-M695 HydrophobicContact CH2-CE 4.26Å; W524-M695 HydrophobicContact CZ2-CE 3.87Å; W524-M695 HydrophobicContact CZ2-SD 4.13Å; M695-E699 VanDerWaalsContact CB-OE2 3.3Å; M695-E699 WeakPolarHBondContact CB-OE2 3.35Å; M695-P717 HydrophobicContact CE-CB 3.96Å; M695-P717 HydrophobicContact CE-CG 3.89Å
696	G	87.1	Confident	86.5	Confident	11 Å²	11	57 Å²	57	11%	0.113	31%	0.305	C	S	.	.			trans	-171.3	168.1	176.3	0	0	0	0	0	111.9	A698 E699 M700	G696-A698 PolarHBondContact O-N 3.43Å; G696-E699 PolarHBondContact O-N 3.18Å; G696-M700 PolarHBondContact O-N 3.02Å
697	P	85.5	Confident	86	Confident	9 Å²	9	57 Å²	57	6%	0.058	31%	0.306	C	S	.	.	H	α-helix	trans	-65.8	-36.9	-176.4	-23.9	36.6	0	0	0	113.2	W40 L651 E699 M700 Q701	W40-P697 HydrophobicContact CB-CG 4.17Å; W40-P697 VanDerWaalsContact CD1-CD 3.44Å; W40-P697 HydrophobicContact CD2-CG 3.41Å; W40-P697 VanDerWaalsContact CD2-CG 3.41Å; W40-P697 HydrophobicContact CE3-CG 3.74Å; W40-P697 HydrophobicContact CG-CG 3.58Å; W40-P697 HydrophobicContact CZ2-CG 4.31Å; W40-P697 HydrophobicContact CZ3-CG 4.29Å; L651-P697 HydrophobicContact CD1-CB 4.25Å; L651-P697 HydrophobicContact CD1-CG 3.71Å; P697-E699 VanDerWaalsContact C-N 3.35Å; P697-E699 PolarHBondContact O-N 2.77Å; P697-M700 WeakPolarHBondContact O-CB 3.39Å; P697-M700 PolarHBondContact O-N 3.07Å; P697-Q701 WeakPolarHBondContact O-CG 3.15Å; P697-Q701 PolarHBondContact O-N 2.96Å
698	A	83.4	Confident	85.4	Confident	58 Å²	58	64.7 Å²	64.7	48%	0.479	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-44.7	176.8	0	0	0	0	0	111.6	P37 G696 Q701 A702	P37-A698 HydrophobicContact CB-CB 4.25Å; G696-A698 PolarHBondContact O-N 3.43Å; A698-Q701 PolarHBondContact O-N 2.64Å; A698-A702 WeakPolarHBondContact O-CB 3.43Å; A698-A702 PolarHBondContact O-N 3.43Å
699	E	82	Confident	85.1	Confident	107 Å²	107	68 Å²	68	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-68.4	-38.3	176	-69.6	-173	-164.5	0	0	111.7	M695 G696 P697 Q701 A702 A703	M695-E699 VanDerWaalsContact CB-OE2 3.3Å; M695-E699 WeakPolarHBondContact CB-OE2 3.35Å; G696-E699 PolarHBondContact O-N 3.18Å; P697-E699 VanDerWaalsContact C-N 3.35Å; P697-E699 PolarHBondContact O-N 2.77Å; E699-Q701 VanDerWaalsContact C-N 3.32Å; E699-Q701 PolarHBondContact O-N 2.82Å; E699-A702 CarbonylContact O-C 3.48Å; E699-A702 PolarHBondContact O-N 3.41Å; E699-A703 WeakPolarHBondContact O-CA 3.21Å; E699-A703 WeakPolarHBondContact O-CB 3.07Å; E699-A703 PolarHBondContact O-N 3.31Å
700	M	83.1	Confident	85.1	Confident	15 Å²	15	62.9 Å²	62.9	7%	0.074	34%	0.339	C	S	.	.	H	α-helix	trans	-60.3	-41.3	176.4	-169.4	-169.1	-55.6	0	0	112.2	V646 L651 A694 G696 P697 A703 H710 C713	V646-M700 HydrophobicContact CB-CE 4.45Å; V646-M700 HydrophobicContact CG1-CE 4.1Å; V646-M700 HydrophobicContact CG1-SD 3.76Å; V646-M700 HydrophobicContact CG2-CE 3.45Å; V646-M700 VanDerWaalsContact CG2-CE 3.45Å; V646-M700 HydrophobicContact CG2-SD 4.24Å; L651-M700 HydrophobicContact CD2-CE 4.14Å; A694-M700 HydrophobicContact CB-CB 4.04Å; A694-M700 HydrophobicContact CB-CE 3.68Å; A694-M700 HydrophobicContact CB-CG 4.27Å; G696-M700 PolarHBondContact O-N 3.02Å; P697-M700 WeakPolarHBondContact O-CB 3.39Å; P697-M700 PolarHBondContact O-N 3.07Å; M700-A703 PolarHBondContact O-N 3.14Å; M700-H710 HydrophobicContact CG-CB 4.49Å; M700-C713 HydrophobicContact CE-CB 3.87Å
701	Q	79.1	Confident	85.1	Confident	112 Å²	112	62.6 Å²	62.6	52%	0.523	34%	0.337	S	S	.	.	H	α-helix	trans	-69.1	-38.1	175.1	-70.3	177.3	-5.4	0	0	111.9	P697 A698 E699 A703 V704	P697-Q701 WeakPolarHBondContact O-CG 3.15Å; P697-Q701 PolarHBondContact O-N 2.96Å; A698-Q701 PolarHBondContact O-N 2.64Å; E699-Q701 VanDerWaalsContact C-N 3.32Å; E699-Q701 PolarHBondContact O-N 2.82Å; Q701-A703 VanDerWaalsContact C-N 3.32Å; Q701-V704 WeakPolarHBondContact O-CG2 3.23Å
702	A	79	Confident	85.1	Confident	72 Å²	72	62 Å²	62	60%	0.595	33%	0.333	S	S	*	.	H	α-helix	trans	-71.6	-27.6	174.7	0	0	0	0	0	112.9	A698 E699 V704	A698-A702 WeakPolarHBondContact O-CB 3.43Å; A698-A702 PolarHBondContact O-N 3.43Å; E699-A702 CarbonylContact O-C 3.48Å; E699-A702 PolarHBondContact O-N 3.41Å; A702-V704 PolarHBondContact O-N 3.45Å
703	A	75.5	Confident	85.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-73.5	-4.8	-174.4	0	0	0	0	0	114.7	E699 M700 Q701 N705 Y706 C707	E699-A703 WeakPolarHBondContact O-CA 3.21Å; E699-A703 WeakPolarHBondContact O-CB 3.07Å; E699-A703 PolarHBondContact O-N 3.31Å; M700-A703 PolarHBondContact O-N 3.14Å; Q701-A703 VanDerWaalsContact C-N 3.32Å; A703-N705 PolarHBondContact O-N 3.32Å; A703-Y706 HydrophobicContact CB-CD1 3.82Å; A703-Y706 HydrophobicContact CB-CE1 3.1Å; A703-Y706 HydrophobicContact CB-CE2 4.18Å; A703-Y706 WeakPolarHBondContact CB-OH 3.29Å; A703-Y706 PolarHBondContact O-N 3.35Å; A703-C707 PolarHBondContact O-N 3.23Å
704	V	70.7	Confident	85.2	Confident	76 Å²	76	56.9 Å²	56.9	46%	0.461	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-52.1	-24.2	-179.8	177.2	0	0	0	0	112.2	Q701 A702 K708	Q701-V704 WeakPolarHBondContact O-CG2 3.23Å; A702-V704 PolarHBondContact O-N 3.45Å; V704-K708 VanDerWaalsContact O-CE 3.23Å; V704-K708 WeakPolarHBondContact O-CE 3.12Å
705	N	74.4	Confident	85.2	Confident	160 Å²	160	56.8 Å²	56.8	86%	0.856	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-74.7	-28.5	175.6	-66.5	-23.6	0	0	0	115.1	A703	A703-N705 PolarHBondContact O-N 3.32Å
706	Y	82.9	Confident	85.4	Confident	154 Å²	154	54.4 Å²	54.4	60%	0.604	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	-31.4	-176.5	76.8	-99	0	0	0	114.3	M692 A703	M692-Y706 HydrophobicContact CE-CE2 4.46Å; A703-Y706 HydrophobicContact CB-CD1 3.82Å; A703-Y706 HydrophobicContact CB-CE1 3.1Å; A703-Y706 HydrophobicContact CB-CE2 4.18Å; A703-Y706 WeakPolarHBondContact CB-OH 3.29Å; A703-Y706 PolarHBondContact O-N 3.35Å
707	C	84.5	Confident	85.7	Confident	13 Å²	13	54.9 Å²	54.9	9%	0.088	30%	0.295	C	S	.	.			trans	-149.3	121.5	-178	-179.5	0	0	0	0	111.3	M692 A703 H710	M692-C707 HydrophobicContact CE-CB 4.34Å; A703-C707 PolarHBondContact O-N 3.23Å; C707-H710 PolarHBondContact O-CE1 2.64Å
708	K	81.8	Confident	86.2	Confident	163 Å²	163	54.4 Å²	54.4	71%	0.709	29%	0.292	S	S	*	.	S	Bend	trans	-105.1	-3.3	176	-61.8	-176.2	-177.7	-177.2	0	113.4	V704	V704-K708 VanDerWaalsContact O-CE 3.23Å; V704-K708 WeakPolarHBondContact O-CE 3.12Å
709	T	88.8	Confident	86.8	Confident	107 Å²	107	51.9 Å²	51.9	66%	0.656	27%	0.271	S	S	*	.			trans	-112.9	35.9	-167.8	55.7	0	0	0	0	111.9	T711	T709-T711 PolarHBondContact O-N 3.31Å
710	H	91.6	Very high	87.5	Confident	13 Å²	13	47.2 Å²	47.2	6%	0.06	25%	0.249	C	C	.	.			trans	-62.2	136.1	172	-66.2	99	0	0	0	109.8	V646 M700 C707	V646-H710 HydrophobicContact CG1-CB 4.39Å; M700-H710 HydrophobicContact CG-CB 4.49Å; C707-H710 PolarHBondContact O-CE1 2.64Å
711	T	92.6	Very high	88.1	Confident	45 Å²	45	47.3 Å²	47.3	28%	0.276	25%	0.25	S	C	.	.			trans	-107.5	-29.6	-178.6	57.7	0	0	0	0	112	V646 V691 M692 T709	V646-T711 PolarHBondContact N-O 2.91Å; V691-T711 WeakPolarHBondContact CB-OG1 3.46Å; M692-T711 PolarHBondContact N-OG1 3.46Å; M692-T711 PolarHBondContact O-N 3.21Å; M692-T711 PolarHBondContact O-OG1 2.8Å; T709-T711 PolarHBondContact O-N 3.31Å
712	H	94.9	Very high	88.9	Confident	6 Å²	6	42 Å²	42	3%	0.028	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	162.7	-176.7	-66.1	87.5	0	0	0	110.2	L643 V644 E681 M692 I693 A694	L643-H712 HydrophobicContact CB-CB 4.1Å; L643-H712 HydrophobicContact CD1-CB 4.06Å; V644-H712 CarbonylContact O-C 3.57Å; V644-H712 WeakPolarHBondContact O-CA 3.42Å; E681-H712 IonicContact OE2-NE2 3.18Å; M692-H712 PolarHBondContact O-N 3.01Å; I693-H712 CarbonylContact C-O 3.59Å; I693-H712 WeakPolarHBondContact CA-O 3.46Å; I693-H712 HydrophobicContact CG1-CB 4.24Å; A694-H712 PolarHBondContact N-O 3.45Å
713	C	93.8	Very high	89.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	139.6	173.2	-170.3	0	0	0	0	109.9	V644 V646 L651 A694 M700	V644-C713 HydrophobicContact CB-CB 4.46Å; V644-C713 PolarHBondContact N-O 3.07Å; V644-C713 PolarHBondContact O-N 3.02Å; V646-C713 HydrophobicContact CG2-CB 3.94Å; L651-C713 HydrophobicContact CD2-CB 3.74Å; A694-C713 HydrophobicContact CB-CB 4.48Å; A694-C713 CarbonylContact O-C 3.54Å; A694-C713 WeakPolarHBondContact O-CA 3.3Å; M700-C713 HydrophobicContact CE-CB 3.87Å
714	E	94.5	Very high	90.6	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.028	20%	0.197	C	C	.	.			trans	-61.7	138.1	169.3	-165.9	65.8	-137.5	0	0	109.6	R641 A694	R641-E714 IonicContact CZ-OE2 3.5Å; R641-E714 IonicContact NH1-OE1 3.62Å; R641-E714 PolarHBondContact NH1-OE1 3.27Å; R641-E714 IonicContact NH1-OE2 3.77Å; R641-E714 PolarHBondContact NH1-OE2 2.95Å; R641-E714 IonicContact NH2-OE2 3.41Å; A694-E714 PolarHBondContact O-N 3.25Å
715	I	93.6	Very high	91.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.176	C	C	.	.	S	Bend	trans	-68.6	-53.3	175.2	-60.4	167.9	0	0	0	109.1	W40 C44 V47 I48 M547 P642 V644 W671	W40-I715 WeakPolarHBondContact CZ2-O 3.39Å; C44-I715 HydrophobicContact CB-CG2 4.2Å; C44-I715 VanDerWaalsContact CB-O 3.3Å; C44-I715 WeakPolarHBondContact CB-O 3.47Å; V47-I715 HydrophobicContact CG1-CG2 4.45Å; I48-I715 HydrophobicContact CD1-CG2 3.88Å; I48-I715 HydrophobicContact CG1-CG2 3.6Å; M547-I715 HydrophobicContact CE-CD1 3.67Å; M547-I715 HydrophobicContact SD-CD1 4.08Å; P642-I715 HydrophobicContact CB-CD1 4.43Å; P642-I715 HydrophobicContact CG-CD1 4.36Å; V644-I715 HydrophobicContact CG2-CG1 3.77Å; W671-I715 HydrophobicContact CH2-CD1 4.23Å
716	H	94.4	Very high	92.8	Very high	15 Å²	15	27.6 Å²	27.6	7%	0.069	14%	0.136	C	C	.	.			trans	-156.3	132.4	171	-168.8	-79	0	0	0	111	W45 I48 S718 M719	W45-H716 AromaticContact CE2-CD2 3.96Å; W45-H716 AromaticContact CZ2-CD2 3.84Å; W45-H716 AromaticContact CZ2-CE1 3.74Å; W45-H716 AromaticContact CZ2-CG 3.9Å; W45-H716 AromaticContact CZ2-ND1 3.81Å; W45-H716 AromaticContact CZ2-NE2 3.72Å; W45-H716 AromaticContact NE1-CD2 3.76Å; W45-H716 AromaticContact NE1-NE2 3.91Å; I48-H716 HydrophobicContact CD1-CB 3.77Å; H716-S718 PolarHBondContact CE1-OG 3.23Å; H716-S718 VanDerWaalsContact ND1-CB 3.27Å; H716-S718 WeakPolarHBondContact ND1-CB 3.39Å; H716-S718 PolarHBondContact ND1-N 3.17Å; H716-S718 PolarHBondContact ND1-OG 3.11Å; H716-S718 PolarHBondContact O-N 3.09Å; H716-S718 VanDerWaalsContact O-N 3.07Å; H716-M719 HydrophobicContact CB-CG 4.47Å; H716-M719 WeakPolarHBondContact O-CB 3.3Å; H716-M719 WeakPolarHBondContact O-CG 3.28Å; H716-M719 PolarHBondContact O-N 3.08Å; H716-M719 VanDerWaalsContact O-N 3.08Å
717	P	94.3	Very high	93.4	Very high	20 Å²	20	20.3 Å²	20.3	13%	0.13	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-58.9	-26.5	-176.2	-26.4	34.9	0	0	0	115.2	M695 M719 I720 F1019	M695-P717 HydrophobicContact CE-CB 3.96Å; M695-P717 HydrophobicContact CE-CG 3.89Å; P717-M719 PolarHBondContact O-N 2.8Å; P717-M719 VanDerWaalsContact O-N 3.14Å; P717-I720 VanDerWaalsContact O-CG1 3.3Å; P717-I720 WeakPolarHBondContact O-CG1 3.35Å; P717-I720 WeakPolarHBondContact O-CG2 3.48Å; P717-I720 PolarHBondContact O-N 3.33Å; P717-F1019 HydrophobicContact CB-CB 4.4Å; P717-F1019 HydrophobicContact CB-CD2 3.7Å; P717-F1019 HydrophobicContact CB-CE2 4.25Å; P717-F1019 HydrophobicContact CB-CG 4.19Å
718	S	94.7	Very high	94	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-61.6	-18.4	177.1	70.1	0	0	0	0	114.3	W45 H716 I720 L721	W45-S718 WeakPolarHBondContact CH2-OG 3.37Å; H716-S718 PolarHBondContact CE1-OG 3.23Å; H716-S718 VanDerWaalsContact ND1-CB 3.27Å; H716-S718 WeakPolarHBondContact ND1-CB 3.39Å; H716-S718 PolarHBondContact ND1-N 3.17Å; H716-S718 PolarHBondContact ND1-OG 3.11Å; H716-S718 PolarHBondContact O-N 3.09Å; H716-S718 VanDerWaalsContact O-N 3.07Å; S718-I720 PolarHBondContact O-N 3.1Å; S718-L721 WeakPolarHBondContact O-CB 3.49Å; S718-L721 WeakPolarHBondContact O-CG 3.3Å; S718-L721 PolarHBondContact O-N 3.47Å
719	M	95.7	Very high	94.7	Very high	4 Å²	4	12 Å²	12	2%	0.02	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-70.7	-11.6	-178.2	-63.5	-62.4	113.8	0	0	113.6	W45 I48 F52 L546 M547 H716 P717 L721	W45-M719 HydrophobicContact CH2-CE 3.66Å; W45-M719 HydrophobicContact CZ3-CE 3.66Å; I48-M719 HydrophobicContact CD1-CE 4.06Å; I48-M719 HydrophobicContact CD1-CG 4.13Å; I48-M719 HydrophobicContact CD1-SD 4.16Å; I48-M719 HydrophobicContact CG2-CE 4.39Å; I48-M719 HydrophobicContact CG2-SD 4.03Å; F52-M719 HydrophobicContact CE2-SD 4.28Å; L546-M719 HydrophobicContact CB-SD 4.08Å; L546-M719 HydrophobicContact CD1-CE 3.99Å; L546-M719 HydrophobicContact CD1-SD 4.04Å; L546-M719 PolarHBondContact N-O 2.9Å; M547-M719 HydrophobicContact CB-CB 4.48Å; M547-M719 HydrophobicContact CG-CB 4Å; M547-M719 HydrophobicContact CG-CG 3.86Å; M547-M719 HydrophobicContact CG-SD 3.7Å; M547-M719 HydrophobicContact SD-CB 4.05Å; M547-M719 HydrophobicContact SD-CG 3.57Å; M547-M719 VanDerWaalsContact SD-CG 3.57Å; M547-M719 HydrophobicContact SD-SD 3.94Å; H716-M719 HydrophobicContact CB-CG 4.47Å; H716-M719 WeakPolarHBondContact O-CB 3.3Å; H716-M719 WeakPolarHBondContact O-CG 3.28Å; H716-M719 PolarHBondContact O-N 3.08Å; H716-M719 VanDerWaalsContact O-N 3.08Å; P717-M719 PolarHBondContact O-N 2.8Å; P717-M719 VanDerWaalsContact O-N 3.14Å; M719-L721 PolarHBondContact O-N 2.88Å
720	I	96.6	Very high	95.1	Very high	9 Å²	9	7.4 Å²	7.4	5%	0.046	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-66.4	-19	171.1	73.3	-177.1	0	0	0	113	W524 P529 P717 S718 F1019	W524-I720 HydrophobicContact CD2-CG2 4.16Å; W524-I720 HydrophobicContact CE3-CD1 4.29Å; W524-I720 HydrophobicContact CE3-CG2 4.42Å; W524-I720 HydrophobicContact CH2-CD1 3.64Å; W524-I720 HydrophobicContact CH2-CG2 4.13Å; W524-I720 HydrophobicContact CZ2-CD1 4.38Å; W524-I720 HydrophobicContact CZ2-CG2 3.83Å; W524-I720 HydrophobicContact CZ3-CD1 3.58Å; W524-I720 HydrophobicContact CZ3-CG2 4.41Å; P529-I720 WeakPolarHBondContact CD-O 3.39Å; P717-I720 VanDerWaalsContact O-CG1 3.3Å; P717-I720 WeakPolarHBondContact O-CG1 3.35Å; P717-I720 WeakPolarHBondContact O-CG2 3.48Å; P717-I720 PolarHBondContact O-N 3.33Å; S718-I720 PolarHBondContact O-N 3.1Å; I720-F1019 HydrophobicContact CD1-CE2 4.44Å
721	L	96.9	Very high	95.3	Very high	17 Å²	17	7.2 Å²	7.2	9%	0.089	4%	0.04	C	C	.	.	S	Bend	trans	-78.3	157.4	-177.9	-59.9	178	0	0	0	111	A545 L546 S718 M719 A725 P731 P1018	A545-L721 CarbonylContact C-O 3.53Å; A545-L721 WeakPolarHBondContact CA-O 3.45Å; L546-L721 WeakPolarHBondContact CG-O 3.42Å; L546-L721 PolarHBondContact N-O 3.21Å; S718-L721 WeakPolarHBondContact O-CB 3.49Å; S718-L721 WeakPolarHBondContact O-CG 3.3Å; S718-L721 PolarHBondContact O-N 3.47Å; M719-L721 PolarHBondContact O-N 2.88Å; L721-A725 HydrophobicContact CB-CB 4.08Å; L721-A725 HydrophobicContact CD2-CB 4.16Å; L721-P731 HydrophobicContact CD1-CG 4.06Å; L721-P1018 HydrophobicContact CD1-CG 3.98Å
722	G	94.9	Very high	95.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.044	C	C	.	.			trans	-91.9	-172.8	173.2	0	0	0	0	0	111.7	C528 S726	C528-G722 VanDerWaalsContact CB-N 3.34Å; C528-G722 PolarHBondContact SG-N 3.15Å; G722-S726 VanDerWaalsContact O-CB 3.28Å; G722-S726 WeakPolarHBondContact O-CB 3.32Å; G722-S726 PolarHBondContact O-N 2.6Å; G722-S726 PolarHBondContact O-OG 3.47Å
723	I	95.2	Very high	95.5	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-51.9	-178.6	-56.2	-64	0	0	0	111.3	L57 L497 E531 L546 S726 L784	L57-I723 HydrophobicContact CD1-CD1 4.44Å; L57-I723 HydrophobicContact CD2-CD1 4.21Å; L497-I723 HydrophobicContact CB-CD1 4.49Å; L497-I723 HydrophobicContact CB-CG1 4.33Å; L497-I723 HydrophobicContact CB-CG2 3.97Å; L497-I723 HydrophobicContact CD1-CG2 4.37Å; E531-I723 PolarHBondContact OE2-N 3.44Å; L546-I723 HydrophobicContact CD2-CD1 3.9Å; I723-S726 PolarHBondContact O-N 3.47Å; I723-L784 HydrophobicContact CD1-CD2 3.44Å; I723-L784 VanDerWaalsContact CD1-CD2 3.44Å; I723-L784 HydrophobicContact CG2-CD1 4.3Å; I723-L784 HydrophobicContact CG2-CD2 4.02Å
724	C	95.4	Very high	95.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-20.5	-175.1	-64.5	0	0	0	0	113.2	E531 I727 K747	E531-C724 HydrophobicContact CG-CB 4.27Å; E531-C724 PolarHBondContact OE2-N 2.97Å; C724-I727 WeakPolarHBondContact O-CG1 3.42Å; C724-K747 VanDerWaalsContact SG-CE 3.51Å
725	A	96.4	Very high	95.6	Very high	2 Å²	2	16.3 Å²	16.3	2%	0.017	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-30.8	172.7	0	0	0	0	0	111.6	A530 L721 I727 I728	A530-A725 HydrophobicContact CB-CB 4.37Å; L721-A725 HydrophobicContact CB-CB 4.08Å; L721-A725 HydrophobicContact CD2-CB 4.16Å; A725-I727 PolarHBondContact O-N 2.85Å; A725-I728 WeakPolarHBondContact O-CB 3.49Å; A725-I728 WeakPolarHBondContact O-CG1 3.22Å; A725-I728 PolarHBondContact O-N 3.23Å
726	S	96	Very high	95.7	Very high	2 Å²	2	20 Å²	20	1%	0.014	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-13	179.6	-60.3	0	0	0	0	114.2	L546 G722 I723 I728 T778	L546-S726 VanDerWaalsContact CD1-OG 3.3Å; L546-S726 WeakPolarHBondContact CD1-OG 3.46Å; G722-S726 VanDerWaalsContact O-CB 3.28Å; G722-S726 WeakPolarHBondContact O-CB 3.32Å; G722-S726 PolarHBondContact O-N 2.6Å; G722-S726 PolarHBondContact O-OG 3.47Å; I723-S726 PolarHBondContact O-N 3.47Å; S726-I728 VanDerWaalsContact C-N 3.31Å; S726-T778 PolarHBondContact O-OG1 3.01Å
727	I	95.5	Very high	95.8	Very high	2 Å²	2	22 Å²	22	1%	0.01	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-7.8	174.1	60.7	161.6	0	0	0	113.1	C724 A725 M781 L784 F786 R955	C724-I727 WeakPolarHBondContact O-CG1 3.42Å; A725-I727 PolarHBondContact O-N 2.85Å; I727-M781 VanDerWaalsContact C-CE 3.46Å; I727-M781 VanDerWaalsContact CA-CE 3.47Å; I727-M781 HydrophobicContact CB-CE 4.18Å; I727-M781 WeakPolarHBondContact O-CE 3.17Å; I727-L784 HydrophobicContact CG2-CD1 4.08Å; I727-F786 HydrophobicContact CG2-CD2 4.01Å; I727-F786 HydrophobicContact CG2-CE2 4.25Å; I727-F786 HydrophobicContact CG2-CG 4.28Å; I727-R955 WeakPolarHBondContact O-CD 3.01Å; I727-R955 PolarHBondContact O-NH1 2.93Å
728	I	97	Very high	95.9	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.123	C	C	.	.	S	Bend	trans	-82.9	123.1	-178.3	-53.9	-178.9	0	0	0	108	A725 S726 P731 N739 Q742 R955	A725-I728 WeakPolarHBondContact O-CB 3.49Å; A725-I728 WeakPolarHBondContact O-CG1 3.22Å; A725-I728 PolarHBondContact O-N 3.23Å; S726-I728 VanDerWaalsContact C-N 3.31Å; I728-P731 HydrophobicContact CB-CB 4.21Å; I728-P731 HydrophobicContact CG2-CB 3.93Å; I728-P731 WeakPolarHBondContact O-CD 3.41Å; I728-N739 HydrophobicContact CD1-CB 4.08Å; I728-Q742 HydrophobicContact CD1-CB 3.7Å; I728-Q742 HydrophobicContact CD1-CG 3.81Å; I728-Q742 HydrophobicContact CG1-CB 4.23Å; I728-Q742 HydrophobicContact CG1-CG 3.76Å; I728-R955 WeakPolarHBondContact CG2-O 3.45Å
729	P	96.5	Very high	96	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-75.2	141.4	172.2	32.8	-32.8	0	0	0	109.5	P731 V776 R955 H956 E1000 A1016	P729-P731 VanDerWaalsContact C-CD 3.5Å; P729-V776 HydrophobicContact CB-CG1 4.08Å; P729-R955 HydrophobicContact CG-CB 4.41Å; P729-H956 WeakPolarHBondContact CG-NE2 3.43Å; P729-H956 PolarHBondContact O-CE1 3.4Å; P729-E1000 HydrophobicContact CG-CB 4.25Å; P729-E1000 HydrophobicContact CG-CG 4.03Å; P729-E1000 WeakPolarHBondContact CG-OE2 3.49Å; P729-A1016 HydrophobicContact CB-CB 3.5Å
730	F	96.2	Very high	96	Very high	10 Å²	10	24.7 Å²	24.7	4%	0.044	13%	0.134	C	C	.	.	S	Bend	trans	46.1	52.4	177.5	-53.2	-68.6	0	0	0	114.1	D732 H733 N734 V776 I999 Q1003 A1016 V1023	F730-D732 WeakPolarHBondContact CA-OD1 3.35Å; F730-D732 PolarHBondContact O-N 2.92Å; F730-H733 HydrophobicContact CB-CB 4.33Å; F730-H733 PolarHBondContact O-N 3.4Å; F730-H733 VanDerWaalsContact O-N 3.15Å; F730-N734 PolarHBondContact O-ND2 3.15Å; F730-V776 HydrophobicContact CE2-CG1 4.06Å; F730-I999 HydrophobicContact CD1-CG2 4.48Å; F730-I999 HydrophobicContact CD2-CB 4.15Å; F730-I999 HydrophobicContact CD2-CG2 3.68Å; F730-I999 HydrophobicContact CE1-CG2 4.38Å; F730-I999 HydrophobicContact CE2-CB 4.43Å; F730-I999 HydrophobicContact CE2-CG2 3.57Å; F730-I999 HydrophobicContact CG-CG2 4.16Å; F730-I999 HydrophobicContact CZ-CG2 3.93Å; F730-Q1003 HydrophobicContact CE2-CB 4.43Å; F730-A1016 HydrophobicContact CD2-CB 4.03Å; F730-A1016 HydrophobicContact CE1-CB 4.29Å; F730-A1016 HydrophobicContact CE2-CB 3.66Å; F730-A1016 HydrophobicContact CG-CB 4.49Å; F730-A1016 HydrophobicContact CZ-CB 3.82Å; F730-A1016 PolarHBondContact N-O 3.44Å; F730-A1016 VanDerWaalsContact N-O 3.11Å; F730-V1023 HydrophobicContact CE1-CG1 4.24Å; F730-V1023 HydrophobicContact CZ-CG1 4.22Å
731	P	96.2	Very high	96	Very high	9 Å²	9	28.2 Å²	28.2	6%	0.058	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-65.1	-26.5	-176.7	26.8	-34.3	0	0	0	113.2	L721 I728 P729 H733 N734 N739 P1018	L721-P731 HydrophobicContact CD1-CG 4.06Å; I728-P731 HydrophobicContact CB-CB 4.21Å; I728-P731 HydrophobicContact CG2-CB 3.93Å; I728-P731 WeakPolarHBondContact O-CD 3.41Å; P729-P731 VanDerWaalsContact C-CD 3.5Å; P731-H733 VanDerWaalsContact C-N 3.27Å; P731-H733 PolarHBondContact O-N 3.35Å; P731-N734 PolarHBondContact O-N 3.42Å; P731-N739 PolarHBondContact O-ND2 2.77Å; P731-P1018 HydrophobicContact CG-CB 3.77Å; P731-P1018 HydrophobicContact CG-CG 3.98Å
732	D	95.7	Very high	96	Very high	65 Å²	65	27.4 Å²	27.4	35%	0.348	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-65	-22.7	173	50.2	-11.5	0	0	0	113.8	F730 F1019	F730-D732 WeakPolarHBondContact CA-OD1 3.35Å; F730-D732 PolarHBondContact O-N 2.92Å; D732-F1019 HydrophobicContact CB-CD1 4.42Å; D732-F1019 HydrophobicContact CB-CE1 4.02Å; D732-F1019 HydrophobicContact CB-CZ 4.49Å; D732-F1019 PolarHBondContact OD2-N 2.94Å
733	H	95.7	Very high	96	Very high	91 Å²	91	27.4 Å²	27.4	42%	0.421	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-92.1	5.7	175.1	-70.7	-81	0	0	0	114.3	F730 P731 G996 I999	F730-H733 HydrophobicContact CB-CB 4.33Å; F730-H733 PolarHBondContact O-N 3.4Å; F730-H733 VanDerWaalsContact O-N 3.15Å; P731-H733 VanDerWaalsContact C-N 3.27Å; P731-H733 PolarHBondContact O-N 3.35Å; H733-G996 PolarHBondContact O-N 2.86Å; H733-I999 HydrophobicContact CB-CD1 4.05Å
734	N	95.3	Very high	95.9	Very high	15 Å²	15	28.2 Å²	28.2	8%	0.08	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-108.4	150.9	177.5	-60.2	-48.3	0	0	0	111.2	F730 P731 S736 N739 H956 G996	F730-N734 PolarHBondContact O-ND2 3.15Å; P731-N734 PolarHBondContact O-N 3.42Å; N734-S736 PolarHBondContact O-N 3.46Å; N734-N739 WeakPolarHBondContact CB-OD1 3.42Å; N734-N739 PolarHBondContact ND2-OD1 3.15Å; N734-H956 PolarHBondContact ND2-ND1 2.88Å; N734-H956 PolarHBondContact OD1-ND1 2.95Å; N734-G996 WeakPolarHBondContact OD1-CA 3.16Å; N734-G996 PolarHBondContact OD1-N 3.35Å; N734-G996 VanDerWaalsContact OD1-N 3.16Å
735	Q	96.5	Very high	95.9	Very high	78 Å²	78	28.7 Å²	28.7	36%	0.364	15%	0.152	S	C	.	.			trans	-61.2	128.2	164.8	-158.4	-168.1	17.8	0	0	110.3	P737 R738 M993	Q735-P737 VanDerWaalsContact C-CD 3.42Å; Q735-P737 VanDerWaalsContact O-N 3.1Å; Q735-R738 HydrophobicContact CB-CG 4.37Å; Q735-R738 VanDerWaalsContact O-CB 3.26Å; Q735-R738 WeakPolarHBondContact O-CB 3.34Å; Q735-R738 PolarHBondContact O-N 3.49Å; Q735-M993 HydrophobicContact CB-CB 4.49Å; Q735-M993 HydrophobicContact CB-CE 4.44Å; Q735-M993 VanDerWaalsContact CD-CE 3.5Å; Q735-M993 HydrophobicContact CG-CE 3.97Å
736	S	95.3	Very high	95.7	Very high	78 Å²	78	28.7 Å²	28.7	55%	0.545	15%	0.153	S	C	.	.	H	α-helix	trans	-45.3	-44.7	-172.6	176.6	0	0	0	0	116.3	N734 R738 N739 T740	N734-S736 PolarHBondContact O-N 3.46Å; S736-R738 PolarHBondContact O-N 3.1Å; S736-R738 VanDerWaalsContact O-N 3.1Å; S736-N739 WeakPolarHBondContact O-CB 3.4Å; S736-N739 PolarHBondContact O-N 3.38Å; S736-T740 PolarHBondContact O-N 3.26Å
737	P	95.7	Very high	95.6	Very high	56 Å²	56	30 Å²	30	36%	0.364	16%	0.158	S	C	.	.	H	α-helix	trans	-58.4	-29	178.6	-25	35.7	0	0	0	113.9	Q735 N739 T740 Y741	Q735-P737 VanDerWaalsContact C-CD 3.42Å; Q735-P737 VanDerWaalsContact O-N 3.1Å; P737-N739 VanDerWaalsContact C-N 3.34Å; P737-T740 WeakPolarHBondContact O-CB 3.37Å; P737-T740 PolarHBondContact O-N 3.47Å; P737-Y741 HydrophobicContact CB-CE2 4.4Å; P737-Y741 WeakPolarHBondContact O-CD1 3.48Å; P737-Y741 WeakPolarHBondContact O-CD2 3.33Å; P737-Y741 PolarHBondContact O-N 3.15Å
738	R	96	Very high	95.5	Very high	40 Å²	40	32.6 Å²	32.6	15%	0.151	17%	0.17	C	C	.	.	H	α-helix	trans	-67.5	-36.5	177.6	-60.5	-69.4	167	-162.2	-8.4	111.7	Q735 S736 T740 Y741 Q742 T994	Q735-R738 HydrophobicContact CB-CG 4.37Å; Q735-R738 VanDerWaalsContact O-CB 3.26Å; Q735-R738 WeakPolarHBondContact O-CB 3.34Å; Q735-R738 PolarHBondContact O-N 3.49Å; S736-R738 PolarHBondContact O-N 3.1Å; S736-R738 VanDerWaalsContact O-N 3.1Å; R738-T740 VanDerWaalsContact C-N 3.34Å; R738-Y741 PolarHBondContact O-N 3.29Å; R738-Q742 PolarHBondContact O-N 3.3Å; R738-T994 HydrophobicContact CB-CG2 4.1Å; R738-T994 HydrophobicContact CG-CG2 3.67Å
739	N	96.9	Very high	95.4	Very high	17 Å²	17	32.5 Å²	32.5	9%	0.091	17%	0.17	C	C	.	.	H	α-helix	trans	-66.2	-39	174.1	-62.6	-25.3	0	0	0	111	A530 I728 P731 N734 S736 P737 Q742 S743	A530-N739 HydrophobicContact CB-CB 4.01Å; I728-N739 HydrophobicContact CD1-CB 4.08Å; P731-N739 PolarHBondContact O-ND2 2.77Å; N734-N739 WeakPolarHBondContact CB-OD1 3.42Å; N734-N739 PolarHBondContact ND2-OD1 3.15Å; S736-N739 WeakPolarHBondContact O-CB 3.4Å; S736-N739 PolarHBondContact O-N 3.38Å; P737-N739 VanDerWaalsContact C-N 3.34Å; N739-Q742 PolarHBondContact O-N 3.33Å; N739-S743 WeakPolarHBondContact O-CB 3.06Å; N739-S743 PolarHBondContact O-N 3.42Å; N739-S743 PolarHBondContact O-OG 3.37Å
740	T	96.4	Very high	95.3	Very high	24 Å²	24	32.5 Å²	32.5	15%	0.147	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-46	173.4	-59	0	0	0	0	112.1	A530 T532 S736 P737 R738 Q742 S743 A744	A530-T740 VanDerWaalsContact O-CA 3.27Å; A530-T740 WeakPolarHBondContact O-CA 3.5Å; A530-T740 WeakPolarHBondContact O-CB 3.35Å; A530-T740 WeakPolarHBondContact O-CG2 3.3Å; A530-T740 PolarHBondContact O-OG1 3.16Å; A530-T740 VanDerWaalsContact O-OG1 3.05Å; T532-T740 HydrophobicContact CG2-CG2 3.87Å; S736-T740 PolarHBondContact O-N 3.26Å; P737-T740 WeakPolarHBondContact O-CB 3.37Å; P737-T740 PolarHBondContact O-N 3.47Å; R738-T740 VanDerWaalsContact C-N 3.34Å; T740-Q742 VanDerWaalsContact C-N 3.34Å; T740-Q742 PolarHBondContact O-N 3.33Å; T740-S743 WeakPolarHBondContact O-CB 3.35Å; T740-S743 PolarHBondContact O-N 2.87Å; T740-A744 PolarHBondContact O-N 3.35Å; T740-A744 VanDerWaalsContact O-N 3.1Å
741	Y	96	Very high	95.1	Very high	83 Å²	83	32.1 Å²	32.1	33%	0.325	17%	0.168	S	C	.	.	H	α-helix	trans	-60.6	-44.4	177.1	-62.8	-22.7	0	0	0	111.8	E534 P737 R738 S743 A744 M745	E534-Y741 VanDerWaalsContact CD-CD1 3.42Å; E534-Y741 HydrophobicContact CG-CD1 3.89Å; E534-Y741 HydrophobicContact CG-CE1 4.07Å; E534-Y741 WeakPolarHBondContact OE1-CA 3.34Å; E534-Y741 WeakPolarHBondContact OE1-CD1 3.39Å; P737-Y741 HydrophobicContact CB-CE2 4.4Å; P737-Y741 WeakPolarHBondContact O-CD1 3.48Å; P737-Y741 WeakPolarHBondContact O-CD2 3.33Å; P737-Y741 PolarHBondContact O-N 3.15Å; R738-Y741 PolarHBondContact O-N 3.29Å; Y741-S743 VanDerWaalsContact C-N 3.31Å; Y741-S743 PolarHBondContact O-N 3.18Å; Y741-A744 PolarHBondContact O-N 2.96Å; Y741-M745 WeakPolarHBondContact O-CB 3.24Å; Y741-M745 WeakPolarHBondContact O-CE 2.94Å; Y741-M745 WeakPolarHBondContact O-CG 3.42Å; Y741-M745 PolarHBondContact O-N 3.3Å
742	Q	96.9	Very high	95.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.3	-42.1	175.9	-176.6	60.2	27.2	0	0	112	I728 R738 N739 T740 A744 M745 G746 S954 R955 G957 Q1066	I728-Q742 HydrophobicContact CD1-CB 3.7Å; I728-Q742 HydrophobicContact CD1-CG 3.81Å; I728-Q742 HydrophobicContact CG1-CB 4.23Å; I728-Q742 HydrophobicContact CG1-CG 3.76Å; R738-Q742 PolarHBondContact O-N 3.3Å; N739-Q742 PolarHBondContact O-N 3.33Å; T740-Q742 VanDerWaalsContact C-N 3.34Å; T740-Q742 PolarHBondContact O-N 3.33Å; Q742-A744 PolarHBondContact O-N 3.33Å; Q742-M745 PolarHBondContact O-N 3.35Å; Q742-G746 PolarHBondContact O-N 3.16Å; Q742-S954 PolarHBondContact NE2-O 3.14Å; Q742-S954 PolarHBondContact OE1-O 3.39Å; Q742-R955 WeakPolarHBondContact CG-O 3.47Å; Q742-G957 VanDerWaalsContact OE1-N 3.09Å; Q742-Q1066 VanDerWaalsContact NE2-OE1 3.16Å
743	S	95.2	Very high	95.1	Very high	1 Å²	1	30 Å²	30	1%	0.007	16%	0.157	C	C	.	.	H	α-helix	trans	-58.8	-34.2	178.7	-64	0	0	0	0	111.9	N739 T740 Y741 K747	N739-S743 WeakPolarHBondContact O-CB 3.06Å; N739-S743 PolarHBondContact O-N 3.42Å; N739-S743 PolarHBondContact O-OG 3.37Å; T740-S743 WeakPolarHBondContact O-CB 3.35Å; T740-S743 PolarHBondContact O-N 2.87Å; Y741-S743 VanDerWaalsContact C-N 3.31Å; Y741-S743 PolarHBondContact O-N 3.18Å; S743-K747 VanDerWaalsContact O-CE 3.3Å; S743-K747 WeakPolarHBondContact O-CE 3.44Å
744	A	94.1	Very high	95.1	Very high	19 Å²	19	25.7 Å²	25.7	16%	0.157	14%	0.137	C	C	.	.	H	α-helix	trans	-75.2	-40.3	172.6	0	0	0	0	0	112.9	T740 Y741 Q742	T740-A744 PolarHBondContact O-N 3.35Å; T740-A744 VanDerWaalsContact O-N 3.1Å; Y741-A744 PolarHBondContact O-N 2.96Å; Q742-A744 PolarHBondContact O-N 3.33Å
745	M	94.5	Very high	95	Very high	9 Å²	9	27.6 Å²	27.6	4%	0.044	15%	0.152	C	C	.	.	H	α-helix	trans	-73.9	-33	-178.4	-75.7	-177.1	-84.7	0	0	113.9	Y741 Q742 K747 Q748 A749 A953 G957 K959	Y741-M745 WeakPolarHBondContact O-CB 3.24Å; Y741-M745 WeakPolarHBondContact O-CE 2.94Å; Y741-M745 WeakPolarHBondContact O-CG 3.42Å; Y741-M745 PolarHBondContact O-N 3.3Å; Q742-M745 PolarHBondContact O-N 3.35Å; M745-K747 PolarHBondContact O-N 3.21Å; M745-Q748 CarbonylContact O-C 3.52Å; M745-Q748 WeakPolarHBondContact O-CA 3.39Å; M745-Q748 WeakPolarHBondContact O-CB 3.11Å; M745-Q748 PolarHBondContact O-N 3.02Å; M745-A749 PolarHBondContact O-N 3.01Å; M745-A749 VanDerWaalsContact O-N 3.12Å; M745-A953 HydrophobicContact SD-CB 4.08Å; M745-G957 VanDerWaalsContact CE-CA 3.45Å; M745-K959 HydrophobicContact SD-CB 3.72Å; M745-K959 HydrophobicContact SD-CD 4.18Å; M745-K959 HydrophobicContact SD-CG 4.39Å
746	G	92.2	Very high	95	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.031	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-28.3	175.4	0	0	0	0	0	112.7	Q742 Q748	Q742-G746 PolarHBondContact O-N 3.16Å; G746-Q748 PolarHBondContact O-N 2.93Å
747	K	93.6	Very high	95	Very high	29 Å²	29	22.5 Å²	22.5	13%	0.126	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-12	172.8	-54.9	178.6	-165.9	-166.4	0	113.3	L491 S498 E531 C724 S743 M745	L491-K747 WeakPolarHBondContact CD2-O 3.42Å; S498-K747 WeakPolarHBondContact OG-CE 3.43Å; S498-K747 PolarHBondContact OG-NZ 3.34Å; E531-K747 VanDerWaalsContact OE1-CE 3.25Å; E531-K747 WeakPolarHBondContact OE1-CE 3.49Å; E531-K747 IonicContact OE1-NZ 3.92Å; E531-K747 PolarHBondContact OE1-NZ 2.99Å; C724-K747 VanDerWaalsContact SG-CE 3.51Å; S743-K747 VanDerWaalsContact O-CE 3.3Å; S743-K747 WeakPolarHBondContact O-CE 3.44Å; M745-K747 PolarHBondContact O-N 3.21Å
748	Q	93.8	Very high	94.9	Very high	56 Å²	56	24.3 Å²	24.3	26%	0.262	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-9.2	-178.9	-57.1	178.6	7.2	0	0	113.2	L491 M745 G746 L1068 K1069 H1070	L491-Q748 VanDerWaalsContact CD2-C 3.48Å; L491-Q748 VanDerWaalsContact CD2-CA 3.43Å; L491-Q748 WeakPolarHBondContact CD2-O 3.19Å; M745-Q748 CarbonylContact O-C 3.52Å; M745-Q748 WeakPolarHBondContact O-CA 3.39Å; M745-Q748 WeakPolarHBondContact O-CB 3.11Å; M745-Q748 PolarHBondContact O-N 3.02Å; G746-Q748 PolarHBondContact O-N 2.93Å; Q748-L1068 HydrophobicContact CB-CD2 4.33Å; Q748-L1068 WeakPolarHBondContact O-CA 3.4Å; Q748-K1069 PolarHBondContact O-N 3.2Å; Q748-H1070 PolarHBondContact OE1-CE1 2.75Å; Q748-H1070 PolarHBondContact OE1-ND1 3.26Å
749	A	94.8	Very high	94.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-59.3	159.6	174	0	0	0	0	0	110.7	L491 T492 M745 A791 Q1066 R1067	L491-A749 VanDerWaalsContact CD2-O 3.31Å; L491-A749 WeakPolarHBondContact CD2-O 3.39Å; T492-A749 HydrophobicContact CG2-CB 4.35Å; T492-A749 WeakPolarHBondContact CG2-O 3.31Å; M745-A749 PolarHBondContact O-N 3.01Å; M745-A749 VanDerWaalsContact O-N 3.12Å; A749-A791 HydrophobicContact CB-CB 3.99Å; A749-Q1066 HydrophobicContact CB-CB 4Å; A749-Q1066 HydrophobicContact CB-CG 4.23Å; A749-R1067 CarbonylContact C-O 3.54Å; A749-R1067 WeakPolarHBondContact CA-O 3.38Å
750	M	93.7	Very high	94.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.			trans	-111.5	146.1	174.3	-62.8	-175.5	-65.8	0	0	109.3	N766 L768 A791 R1067 L1068 K1069	M750-N766 HydrophobicContact CB-CB 4.29Å; M750-N766 HydrophobicContact CG-CB 3.83Å; M750-N766 HydrophobicContact SD-CB 3.55Å; M750-N766 VanDerWaalsContact SD-CB 3.55Å; M750-N766 VanDerWaalsContact SD-CG 3.59Å; M750-L768 HydrophobicContact CB-CG 4.38Å; M750-L768 WeakPolarHBondContact O-CD1 3.48Å; M750-A791 CarbonylContact O-C 3.58Å; M750-A791 VanDerWaalsContact O-C 3.22Å; M750-A791 WeakPolarHBondContact O-CA 3.37Å; M750-R1067 HydrophobicContact CE-CB 3.78Å; M750-R1067 HydrophobicContact CE-CG 3.32Å; M750-R1067 PolarHBondContact N-O 3.07Å; M750-L1068 WeakPolarHBondContact CE-O 3.34Å; M750-K1069 HydrophobicContact CG-CB 4.39Å; M750-K1069 HydrophobicContact SD-CB 4.46Å
751	G	93.6	Very high	94.4	Very high	1 Å²	1	23 Å²	23	1%	0.01	12%	0.117	C	C	.	.	S	Bend	trans	-175.8	-169.2	-176.9	0	0	0	0	0	110.5	Y753	G751-Y753 PolarHBondContact O-N 3.26Å
752	V	95.4	Very high	94.3	Very high	26 Å²	26	20.6 Å²	20.6	16%	0.158	11%	0.111	C	C	.	.			trans	-80	112.9	169.2	-176.9	0	0	0	0	107	I754 F757 V767 P771 L789	V752-I754 WeakPolarHBondContact CG1-O 3.46Å; V752-F757 HydrophobicContact CG1-CD1 4.38Å; V752-F757 HydrophobicContact CG1-CE1 4.46Å; V752-V767 HydrophobicContact CG2-CG1 3.97Å; V752-P771 HydrophobicContact CG2-CG 3.93Å; V752-L789 HydrophobicContact CB-CD2 3.98Å; V752-L789 HydrophobicContact CG1-CD2 3.65Å
753	Y	95.4	Very high	94	Very high	4 Å²	4	25 Å²	25	2%	0.016	14%	0.137	C	C	.	.			trans	-85.7	-24.1	-175.5	64.5	-84.9	0	0	0	113	R490 G751 F757 D762 A765 V767	R490-Y753 HydrophobicContact CB-CD2 4.07Å; R490-Y753 HydrophobicContact CB-CE2 4.39Å; G751-Y753 PolarHBondContact O-N 3.26Å; Y753-F757 HydrophobicContact CE1-CB 3.67Å; Y753-F757 HydrophobicContact CE1-CG 4.47Å; Y753-F757 HydrophobicContact CE2-CB 4.38Å; Y753-F757 WeakPolarHBondContact OH-CB 3.32Å; Y753-D762 PolarHBondContact OH-OD2 3.18Å; Y753-A765 HydrophobicContact CE1-CB 3.74Å; Y753-V767 HydrophobicContact CD1-CG2 4.18Å; Y753-V767 HydrophobicContact CE1-CG2 3.92Å
754	I	95.5	Very high	93.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.16	C	C	.	.			trans	-163.4	154.4	176	-160.6	162	0	0	0	108.7	C194 D197 V752 N756 F757	C194-I754 HydrophobicContact CB-CD1 3.62Å; C194-I754 HydrophobicContact CB-CG1 3.34Å; C194-I754 WeakPolarHBondContact SG-CG1 3.4Å; D197-I754 HydrophobicContact CB-CD1 3.91Å; V752-I754 WeakPolarHBondContact CG1-O 3.46Å; I754-N756 WeakPolarHBondContact CD1-OD1 3.42Å; I754-N756 VanDerWaalsContact CG1-OD1 3.28Å; I754-N756 WeakPolarHBondContact CG1-OD1 3.28Å; I754-N756 WeakPolarHBondContact CG2-OD1 3.36Å; I754-F757 HydrophobicContact CG2-CB 4.15Å; I754-F757 WeakPolarHBondContact O-CD1 3.35Å
755	S	94.4	Very high	93.9	Very high	54 Å²	54	28.6 Å²	28.6	38%	0.378	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-35.1	-176.5	62.6	0	0	0	0	113.8	C194 F757	C194-S755 PolarHBondContact SG-OG 3.42Å; S755-F757 VanDerWaalsContact C-N 3.27Å; S755-F757 PolarHBondContact O-N 3.31Å
756	N	95.4	Very high	93.9	Very high	7 Å²	7	28.8 Å²	28.8	4%	0.037	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	23.7	-177.4	66.9	-17.2	0	0	0	113.9	N192 I754 H758 T759 R760	N192-N756 PolarHBondContact O-ND2 3.08Å; I754-N756 WeakPolarHBondContact CD1-OD1 3.42Å; I754-N756 VanDerWaalsContact CG1-OD1 3.28Å; I754-N756 WeakPolarHBondContact CG1-OD1 3.28Å; I754-N756 WeakPolarHBondContact CG2-OD1 3.36Å; N756-H758 PolarHBondContact O-N 3.04Å; N756-H758 VanDerWaalsContact O-N 3.07Å; N756-T759 PolarHBondContact O-N 2.96Å; N756-T759 PolarHBondContact O-OG1 3.38Å; N756-T759 VanDerWaalsContact O-OG1 3.07Å; N756-R760 WeakPolarHBondContact O-CG 3.26Å; N756-R760 PolarHBondContact O-N 3.32Å; N756-R760 WeakPolarHBondContact OD1-CD 3.38Å
757	F	94.9	Very high	94.1	Very high	43 Å²	43	29.1 Å²	29.1	19%	0.189	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.5	-178.1	70.1	-90.6	0	0	0	113.6	V752 Y753 I754 S755 R760 V767 Y828 R939	V752-F757 HydrophobicContact CG1-CD1 4.38Å; V752-F757 HydrophobicContact CG1-CE1 4.46Å; Y753-F757 HydrophobicContact CE1-CB 3.67Å; Y753-F757 HydrophobicContact CE1-CG 4.47Å; Y753-F757 HydrophobicContact CE2-CB 4.38Å; Y753-F757 WeakPolarHBondContact OH-CB 3.32Å; I754-F757 HydrophobicContact CG2-CB 4.15Å; I754-F757 WeakPolarHBondContact O-CD1 3.35Å; S755-F757 VanDerWaalsContact C-N 3.27Å; S755-F757 PolarHBondContact O-N 3.31Å; F757-R760 PolarHBondContact O-N 2.82Å; F757-V767 HydrophobicContact CD2-CG2 4.01Å; F757-V767 HydrophobicContact CE1-CG1 4.41Å; F757-V767 HydrophobicContact CE2-CG1 4.43Å; F757-V767 HydrophobicContact CE2-CG2 4.2Å; F757-V767 HydrophobicContact CG-CG2 4.29Å; F757-V767 HydrophobicContact CZ-CG1 4.17Å; F757-Y828 HydrophobicContact CD2-CE2 4.32Å; F757-Y828 HydrophobicContact CE2-CE2 4.25Å; F757-R939 PolarHBondContact O-NH1 2.89Å
758	H	93.6	Very high	94.3	Very high	94 Å²	94	27.9 Å²	27.9	44%	0.435	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-30.1	-178.9	62.8	-83.7	0	0	0	113.7	N756 Q923 R939	N756-H758 PolarHBondContact O-N 3.04Å; N756-H758 VanDerWaalsContact O-N 3.07Å; H758-Q923 PolarHBondContact O-OE1 2.94Å; H758-R939 PolarHBondContact O-NH1 3Å; H758-R939 PolarHBondContact O-NH2 2.86Å
759	T	93.1	Very high	94.4	Very high	30 Å²	30	29 Å²	29	18%	0.184	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-16.1	173.6	57.4	0	0	0	0	112.6	N192 N756	N192-T759 HydrophobicContact CB-CG2 4.37Å; N756-T759 PolarHBondContact O-N 2.96Å; N756-T759 PolarHBondContact O-OG1 3.38Å; N756-T759 VanDerWaalsContact O-OG1 3.07Å
760	R	93.5	Very high	94.6	Very high	6 Å²	6	35.9 Å²	35.9	2%	0.023	18%	0.181	C	C	.	.			trans	-84.3	129	-178.1	-68.3	177.9	60.6	95.5	11.6	112.1	R132 E208 N756 F757 D762 R939	R132-R760 VanDerWaalsContact NE-NH1 3.16Å; E208-R760 VanDerWaalsContact CD-NH2 3.35Å; E208-R760 IonicContact OE1-CZ 3.47Å; E208-R760 IonicContact OE1-NH1 3.74Å; E208-R760 PolarHBondContact OE1-NH1 3.14Å; E208-R760 VanDerWaalsContact OE1-NH1 3.08Å; E208-R760 IonicContact OE1-NH2 3.73Å; E208-R760 PolarHBondContact OE1-NH2 3.21Å; E208-R760 IonicContact OE2-NH2 2.84Å; E208-R760 PolarHBondContact OE2-NH2 3.31Å; N756-R760 WeakPolarHBondContact O-CG 3.26Å; N756-R760 PolarHBondContact O-N 3.32Å; N756-R760 WeakPolarHBondContact OD1-CD 3.38Å; F757-R760 PolarHBondContact O-N 2.82Å; R760-D762 VanDerWaalsContact C-N 3.33Å; R760-D762 IonicContact CZ-OD1 2.71Å; R760-D762 IonicContact CZ-OD2 2.97Å; R760-D762 IonicContact NE-OD1 3.27Å; R760-D762 IonicContact NE-OD2 3.51Å; R760-D762 PolarHBondContact NE-OD2 2.9Å; R760-D762 IonicContact NH2-OD1 2.85Å; R760-D762 PolarHBondContact NH2-OD1 3.47Å; R760-D762 IonicContact NH2-OD2 2.94Å; R760-D762 PolarHBondContact O-N 2.88Å; R760-R939 PolarHBondContact O-NH1 3.28Å
761	M	93.3	Very high	94.7	Very high	16 Å²	16	37.7 Å²	37.7	8%	0.079	19%	0.193	C	C	.	.			trans	-95.2	58	175.1	-63.8	-66	-88.8	0	0	111.1	L133 T830 M925 K937 R939	L133-M761 HydrophobicContact CD2-CB 3.98Å; L133-M761 HydrophobicContact CD2-CG 3.76Å; M761-T830 HydrophobicContact CB-CG2 4.24Å; M761-T830 HydrophobicContact CE-CG2 4.16Å; M761-M925 HydrophobicContact CE-CB 4.37Å; M761-K937 HydrophobicContact CB-CD 3.79Å; M761-K937 HydrophobicContact CE-CB 3.7Å; M761-K937 WeakPolarHBondContact CE-O 3.25Å; M761-K937 HydrophobicContact CG-CD 4.47Å; M761-R939 HydrophobicContact CE-CB 3.67Å; M761-R939 HydrophobicContact SD-CB 3.8Å; M761-R939 HydrophobicContact SD-CG 4.49Å
762	D	93	Very high	94.9	Very high	34 Å²	34	41.4 Å²	41.4	18%	0.182	21%	0.21	C	C	.	.			trans	-69.4	147.6	178	-68	-43.3	0	0	0	110.7	Y753 R760 L764 T830	Y753-D762 PolarHBondContact OH-OD2 3.18Å; R760-D762 VanDerWaalsContact C-N 3.33Å; R760-D762 IonicContact CZ-OD1 2.71Å; R760-D762 IonicContact CZ-OD2 2.97Å; R760-D762 IonicContact NE-OD1 3.27Å; R760-D762 IonicContact NE-OD2 3.51Å; R760-D762 PolarHBondContact NE-OD2 2.9Å; R760-D762 IonicContact NH2-OD1 2.85Å; R760-D762 PolarHBondContact NH2-OD1 3.47Å; R760-D762 IonicContact NH2-OD2 2.94Å; R760-D762 PolarHBondContact O-N 2.88Å; D762-L764 PolarHBondContact O-N 2.81Å; D762-T830 WeakPolarHBondContact O-CB 3.49Å; D762-T830 PolarHBondContact O-OG1 3.33Å
763	T	91.9	Very high	94.9	Very high	91 Å²	91	45.6 Å²	45.6	56%	0.558	23%	0.226	S	C	*	.	S	Bend	trans	-65.5	-37.7	-175.9	-54	0	0	0	0	112.9	R829 T830	T763-R829 WeakPolarHBondContact O-CA 3.44Å; T763-T830 PolarHBondContact O-N 3.4Å; T763-T830 VanDerWaalsContact O-N 3.13Å
764	L	92.8	Very high	95	Very high	92 Å²	92	45.5 Å²	45.5	48%	0.482	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	129	178.8	-69.2	176.4	0	0	0	108.7	D762 F827 Y828 R829	D762-L764 PolarHBondContact O-N 2.81Å; L764-F827 HydrophobicContact CD2-CE2 3.75Å; L764-F827 HydrophobicContact CD2-CZ 3.49Å; L764-F827 VanDerWaalsContact CD2-CZ 3.49Å; L764-Y828 WeakPolarHBondContact CA-O 3.47Å; L764-R829 HydrophobicContact CD2-CB 4.43Å; L764-R829 HydrophobicContact CD2-CG 4.25Å; L764-R829 VanDerWaalsContact CD2-CZ 3.42Å
765	A	94.3	Very high	95	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.033	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.8	171.9	0	0	0	0	0	110.9	Y753 F827 Y828	Y753-A765 HydrophobicContact CE1-CB 3.74Å; A765-F827 WeakPolarHBondContact O-CA 3.23Å; A765-Y828 HydrophobicContact CB-CD2 4.29Å; A765-Y828 PolarHBondContact N-O 3.48Å; A765-Y828 PolarHBondContact O-N 3.24Å
766	N	95	Very high	95.2	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.07	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	123.1	173.2	-74.2	-64.5	0	0	0	108.5	M750 E826 F827	M750-N766 HydrophobicContact CB-CB 4.29Å; M750-N766 HydrophobicContact CG-CB 3.83Å; M750-N766 HydrophobicContact SD-CB 3.55Å; M750-N766 VanDerWaalsContact SD-CB 3.55Å; M750-N766 VanDerWaalsContact SD-CG 3.59Å; N766-E826 WeakPolarHBondContact CA-O 3.49Å; N766-F827 VanDerWaalsContact OD1-CD2 3.26Å; N766-F827 WeakPolarHBondContact OD1-CD2 3.31Å
767	V	96.5	Very high	95.2	Very high	10 Å²	10	45 Å²	45	6%	0.061	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.4	-179.2	-175.7	0	0	0	0	109.4	V752 Y753 F757 S825 E826 Y828	V752-V767 HydrophobicContact CG2-CG1 3.97Å; Y753-V767 HydrophobicContact CD1-CG2 4.18Å; Y753-V767 HydrophobicContact CE1-CG2 3.92Å; F757-V767 HydrophobicContact CD2-CG2 4.01Å; F757-V767 HydrophobicContact CE1-CG1 4.41Å; F757-V767 HydrophobicContact CE2-CG1 4.43Å; F757-V767 HydrophobicContact CE2-CG2 4.2Å; F757-V767 HydrophobicContact CG-CG2 4.29Å; F757-V767 HydrophobicContact CZ-CG1 4.17Å; V767-S825 CarbonylContact O-C 3.46Å; V767-S825 WeakPolarHBondContact O-CA 3.36Å; V767-S825 VanDerWaalsContact O-CB 3.31Å; V767-S825 WeakPolarHBondContact O-CB 3.43Å; V767-E826 PolarHBondContact N-O 2.78Å; V767-E826 PolarHBondContact O-N 3.12Å; V767-Y828 HydrophobicContact CG2-CE2 4.27Å
768	L	96.7	Very high	95.2	Very high	4 Å²	4	43 Å²	43	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	146.5	173.6	-73.3	178.6	0	0	0	110.7	M750 P771 F823	M750-L768 HydrophobicContact CB-CG 4.38Å; M750-L768 WeakPolarHBondContact O-CD1 3.48Å; L768-P771 HydrophobicContact CB-CB 4.4Å; L768-F823 HydrophobicContact CD2-CD1 4.29Å
769	Y	96.8	Very high	95.2	Very high	78 Å²	78	41.4 Å²	41.4	31%	0.306	20%	0.201	S	C	.	.	S	Bend	trans	-70.7	-44.4	178.7	-78.4	29.6	0	0	0	111.6	R824 E826 T943	Y769-R824 HydrophobicContact CD1-CB 4.28Å; Y769-R824 WeakPolarHBondContact CD1-O 3.35Å; Y769-R824 HydrophobicContact CD2-CB 4Å; Y769-R824 HydrophobicContact CE2-CB 4.36Å; Y769-R824 HydrophobicContact CG-CB 3.98Å; Y769-R824 PolarHBondContact N-O 2.92Å; Y769-E826 HydrophobicContact CE1-CB 3.91Å; Y769-T943 HydrophobicContact CE2-CG2 4.47Å; Y769-T943 VanDerWaalsContact OH-CG2 3.29Å; Y769-T943 WeakPolarHBondContact OH-CG2 3.32Å; Y769-T943 PolarHBondContact OH-OG1 3.31Å
770	Y	97.3	Very high	95.2	Very high	145 Å²	145	40.1 Å²	40.1	57%	0.569	19%	0.193	S	C	*	.	S	Bend	trans	-132.2	65.8	-173.7	-53	-66.1	0	0	0	111.1	I793	Y770-I793 WeakPolarHBondContact O-CG1 3.45Å
771	P	96.8	Very high	95.3	Very high	39 Å²	39	39.9 Å²	39.9	25%	0.253	19%	0.192	S	C	.	.			trans	-64.6	140.3	173.6	34	-38.7	0	0	0	109.6	V752 L768 P790	V752-P771 HydrophobicContact CG2-CG 3.93Å; L768-P771 HydrophobicContact CB-CB 4.4Å; P771-P790 HydrophobicContact CB-CB 4.42Å; P771-P790 HydrophobicContact CB-CG 4.02Å
772	Q	97.2	Very high	95.3	Very high	78 Å²	78	44.2 Å²	44.2	36%	0.364	21%	0.212	S	C	.	.			trans	-119.6	148.2	179.8	-63.1	179.5	-8.6	0	0	110.6	P790 G792 I793 N794 Y1064	Q772-P790 VanDerWaalsContact C-CG 3.48Å; Q772-P790 WeakPolarHBondContact O-CB 3.42Å; Q772-P790 WeakPolarHBondContact O-CG 3.1Å; Q772-G792 PolarHBondContact N-O 2.91Å; Q772-I793 HydrophobicContact CG-CG2 4.41Å; Q772-N794 PolarHBondContact OE1-ND2 3.15Å; Q772-Y1064 WeakPolarHBondContact O-CE2 3.46Å; Q772-Y1064 PolarHBondContact O-OH 3.4Å
773	K	96.1	Very high	95.2	Very high	115 Å²	115	44.1 Å²	44.1	50%	0.5	21%	0.209	S	C	.	.			trans	-66	144	164.2	63.8	-177.2	-179.8	179.8	0	109.6	N794	K773-N794 PolarHBondContact O-ND2 3.49Å
774	P	97	Very high	95.3	Very high	2 Å²	2	40 Å²	40	1%	0.013	18%	0.184	C	C	.	.			trans	-68	138.2	177	27.9	-33.5	0	0	0	110.8	V776 A777 M781 F786 Y1064	P774-V776 PolarHBondContact O-N 3.05Å; P774-A777 HydrophobicContact CG-CB 4.24Å; P774-M781 HydrophobicContact CG-SD 3.82Å; P774-F786 HydrophobicContact CG-CD1 4.37Å; P774-F786 HydrophobicContact CG-CE1 4.33Å; P774-Y1064 HydrophobicContact CB-CD2 3.85Å; P774-Y1064 HydrophobicContact CB-CE2 4.22Å; P774-Y1064 HydrophobicContact CB-CG 3.98Å
775	L	96.7	Very high	95.3	Very high	43 Å²	43	40.6 Å²	40.6	23%	0.225	18%	0.18	C	C	.	.	S	Bend	trans	-66.7	-29.3	173.2	-71.7	174.8	0	0	0	112.6	N794 A1008 I1013 G1014 P1062	L775-N794 HydrophobicContact CD1-CB 4.25Å; L775-N794 HydrophobicContact CG-CB 4.39Å; L775-N794 PolarHBondContact N-OD1 3.16Å; L775-A1008 HydrophobicContact CD1-CB 4.21Å; L775-I1013 HydrophobicContact CD2-CD1 4.49Å; L775-I1013 WeakPolarHBondContact O-CG2 3.42Å; L775-G1014 PolarHBondContact O-N 2.83Å; L775-P1062 HydrophobicContact CD1-CB 3.96Å; L775-P1062 HydrophobicContact CD1-CG 4.09Å
776	V	96.7	Very high	95.3	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	105.7	-179.8	-179.5	0	0	0	0	107.5	P729 F730 P774 R955 E1000 Q1003 G1004 A1016	P729-V776 HydrophobicContact CB-CG1 4.08Å; F730-V776 HydrophobicContact CE2-CG1 4.06Å; P774-V776 PolarHBondContact O-N 3.05Å; V776-R955 VanDerWaalsContact O-CZ 3.29Å; V776-R955 PolarHBondContact O-NH1 3.26Å; V776-R955 PolarHBondContact O-NH2 2.96Å; V776-E1000 HydrophobicContact CB-CG 4.07Å; V776-E1000 HydrophobicContact CG1-CG 4.14Å; V776-E1000 HydrophobicContact CG2-CG 4.26Å; V776-Q1003 HydrophobicContact CG1-CB 4.32Å; V776-Q1003 HydrophobicContact CG1-CG 4.01Å; V776-Q1003 HydrophobicContact CG2-CB 4.05Å; V776-Q1003 HydrophobicContact CG2-CG 3.91Å; V776-G1004 VanDerWaalsContact CG2-N 3.3Å; V776-A1016 HydrophobicContact CG1-CB 3.46Å; V776-A1016 VanDerWaalsContact CG1-CB 3.46Å
777	A	95.6	Very high	95.2	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.033	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.4	-169.7	0	0	0	0	0	111.1	P774 M781 I1013 G1014 A1016	P774-A777 HydrophobicContact CG-CB 4.24Å; A777-M781 HydrophobicContact CB-SD 3.76Å; A777-I1013 HydrophobicContact CB-CG2 3.83Å; A777-G1014 PolarHBondContact N-O 3.05Å; A777-A1016 PolarHBondContact O-N 2.83Å
778	T	95.5	Very high	95.1	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.018	22%	0.215	C	C	.	.			trans	-80.2	148.6	166.5	62.7	0	0	0	0	108.8	S726 S780 M781	S726-T778 PolarHBondContact O-OG1 3.01Å; T778-S780 PolarHBondContact O-N 3.45Å; T778-M781 HydrophobicContact CG2-CE 4.26Å; T778-M781 WeakPolarHBondContact O-CB 3.37Å; T778-M781 PolarHBondContact O-N 2.83Å; T778-M781 WeakPolarHBondContact OG1-CG 3.46Å
779	R	93.9	Very high	95	Very high	60 Å²	60	49.9 Å²	49.9	23%	0.226	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-57.3	-34.7	174.6	-68	176.5	-178.9	-134.8	1	112.7	E42 W45 M781 E782 D1015 T1017	E42-R779 VanDerWaalsContact CD-NH1 3.3Å; E42-R779 IonicContact OE1-CZ 3.35Å; E42-R779 IonicContact OE1-NH1 3.82Å; E42-R779 PolarHBondContact OE1-NH1 3.41Å; E42-R779 VanDerWaalsContact OE1-NH1 3.16Å; E42-R779 IonicContact OE1-NH2 2.88Å; E42-R779 PolarHBondContact OE1-NH2 2.93Å; E42-R779 IonicContact OE2-CZ 3.02Å; E42-R779 IonicContact OE2-NH1 3.54Å; E42-R779 PolarHBondContact OE2-NH1 3.42Å; E42-R779 IonicContact OE2-NH2 2.74Å; W45-R779 VanDerWaalsContact CD1-CD 3.48Å; W45-R779 VanDerWaalsContact CD1-NH1 3.31Å; W45-R779 HydrophobicContact CD2-CB 3.78Å; W45-R779 HydrophobicContact CD2-CG 4.35Å; W45-R779 VanDerWaalsContact CE2-CD 3.41Å; W45-R779 HydrophobicContact CE3-CB 3.63Å; W45-R779 HydrophobicContact CH2-CB 3.7Å; W45-R779 HydrophobicContact CZ2-CB 3.88Å; W45-R779 HydrophobicContact CZ3-CB 3.57Å; W45-R779 VanDerWaalsContact NE1-CD 3.32Å; R779-M781 PolarHBondContact O-N 3.39Å; R779-E782 WeakPolarHBondContact O-CB 3.27Å; R779-E782 PolarHBondContact O-N 3.26Å; R779-E782 VanDerWaalsContact O-N 3.13Å; R779-D1015 IonicContact CZ-OD2 3.47Å; R779-D1015 IonicContact NE-OD2 2.72Å; R779-D1015 PolarHBondContact NE-OD2 3.04Å; R779-D1015 IonicContact NH2-OD2 2.97Å; R779-T1017 PolarHBondContact N-OG1 3.24Å
780	S	93.8	Very high	94.9	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.021	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-56.8	-22.7	175.5	-52.1	0	0	0	0	115.3	T778 E782 Y783 L784	T778-S780 PolarHBondContact O-N 3.45Å; S780-E782 PolarHBondContact O-N 3.46Å; S780-Y783 PolarHBondContact O-N 2.86Å; S780-L784 WeakPolarHBondContact O-CG 3.37Å; S780-L784 PolarHBondContact O-N 3.43Å
781	M	94.6	Very high	94.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-66.7	-20.9	179.3	-78.5	172	-164.1	0	0	113.4	I727 P774 A777 T778 R779 R785 F786	I727-M781 VanDerWaalsContact C-CE 3.46Å; I727-M781 VanDerWaalsContact CA-CE 3.47Å; I727-M781 HydrophobicContact CB-CE 4.18Å; I727-M781 WeakPolarHBondContact O-CE 3.17Å; P774-M781 HydrophobicContact CG-SD 3.82Å; A777-M781 HydrophobicContact CB-SD 3.76Å; T778-M781 HydrophobicContact CG2-CE 4.26Å; T778-M781 WeakPolarHBondContact O-CB 3.37Å; T778-M781 PolarHBondContact O-N 2.83Å; T778-M781 WeakPolarHBondContact OG1-CG 3.46Å; R779-M781 PolarHBondContact O-N 3.39Å; M781-R785 PolarHBondContact O-N 2.87Å; M781-F786 HydrophobicContact CB-CB 4.19Å; M781-F786 HydrophobicContact CG-CB 4.29Å; M781-F786 HydrophobicContact CG-CD1 4.5Å; M781-F786 PolarHBondContact O-N 3.09Å; M781-F786 VanDerWaalsContact O-N 3.08Å; M781-F786 HydrophobicContact SD-CD1 4.27Å
782	E	92.5	Very high	94.8	Very high	108 Å²	108	38 Å²	38	51%	0.505	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-50.4	177.6	-169	160.8	155.9	0	0	110.9	R779 S780 L784 R785 R787	R779-E782 WeakPolarHBondContact O-CB 3.27Å; R779-E782 PolarHBondContact O-N 3.26Å; R779-E782 VanDerWaalsContact O-N 3.13Å; S780-E782 PolarHBondContact O-N 3.46Å; E782-L784 VanDerWaalsContact C-N 3.27Å; E782-L784 PolarHBondContact O-N 3.25Å; E782-R785 WeakPolarHBondContact O-CA 3.32Å; E782-R785 PolarHBondContact O-N 2.95Å; E782-R787 IonicContact OE2-NH1 3.62Å; E782-R787 PolarHBondContact OE2-NH1 2.96Å
783	Y	92.7	Very high	94.8	Very high	31 Å²	31	34.8 Å²	34.8	12%	0.122	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-29.2	177.7	-44.8	-53.4	0	0	0	112.8	W45 I48 S49 F52 S780 R785	W45-Y783 AromaticContact CE3-CE2 3.76Å; W45-Y783 HydrophobicContact CE3-CE2 3.76Å; W45-Y783 AromaticContact CZ3-CE2 3.8Å; W45-Y783 HydrophobicContact CZ3-CE2 3.8Å; W45-Y783 PolarHBondContact O-OH 3.15Å; I48-Y783 HydrophobicContact CB-CE2 4.38Å; I48-Y783 HydrophobicContact CG2-CD2 4.1Å; I48-Y783 HydrophobicContact CG2-CE2 3.42Å; I48-Y783 VanDerWaalsContact CG2-CE2 3.42Å; S49-Y783 PolarHBondContact N-OH 3.47Å; F52-Y783 HydrophobicContact CB-CD1 4.01Å; F52-Y783 HydrophobicContact CB-CG 4.16Å; F52-Y783 AromaticContact CD2-CD1 3.88Å; F52-Y783 HydrophobicContact CD2-CD1 3.88Å; F52-Y783 AromaticContact CD2-CD2 3.5Å; F52-Y783 HydrophobicContact CD2-CD2 3.5Å; F52-Y783 HydrophobicContact CD2-CE1 4.38Å; F52-Y783 HydrophobicContact CD2-CE2 4.03Å; F52-Y783 AromaticContact CD2-CG 3.41Å; F52-Y783 HydrophobicContact CD2-CG 3.41Å; F52-Y783 VanDerWaalsContact CD2-CG 3.41Å; F52-Y783 AromaticContact CE2-CD2 3.75Å; F52-Y783 HydrophobicContact CE2-CD2 3.75Å; F52-Y783 HydrophobicContact CE2-CE2 4.29Å; F52-Y783 HydrophobicContact CE2-CG 4.07Å; F52-Y783 HydrophobicContact CG-CD1 4.29Å; F52-Y783 HydrophobicContact CG-CD2 4.46Å; F52-Y783 AromaticContact CG-CG 3.96Å; F52-Y783 HydrophobicContact CG-CG 3.96Å; S780-Y783 PolarHBondContact O-N 2.86Å; Y783-R785 PolarHBondContact O-N 3.09Å
784	L	92.8	Very high	94.9	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-6.6	172.8	-60.8	-175.6	0	0	0	113.4	L57 F493 L497 L546 I723 I727 S780 E782 F786	L57-L784 HydrophobicContact CD1-CD2 3.83Å; L57-L784 HydrophobicContact CD2-CD2 4.35Å; F493-L784 WeakPolarHBondContact CD1-O 3.31Å; F493-L784 VanDerWaalsContact CE1-O 3.27Å; F493-L784 WeakPolarHBondContact CE1-O 3.43Å; L497-L784 HydrophobicContact CD1-CD2 4.47Å; L546-L784 HydrophobicContact CD2-CD2 4.08Å; I723-L784 HydrophobicContact CD1-CD2 3.44Å; I723-L784 VanDerWaalsContact CD1-CD2 3.44Å; I723-L784 HydrophobicContact CG2-CD1 4.3Å; I723-L784 HydrophobicContact CG2-CD2 4.02Å; I727-L784 HydrophobicContact CG2-CD1 4.08Å; S780-L784 WeakPolarHBondContact O-CG 3.37Å; S780-L784 PolarHBondContact O-N 3.43Å; E782-L784 VanDerWaalsContact C-N 3.27Å; E782-L784 PolarHBondContact O-N 3.25Å; L784-F786 HydrophobicContact CB-CB 4.4Å; L784-F786 PolarHBondContact O-N 2.73Å; L784-F786 VanDerWaalsContact O-N 3.08Å
785	R	93.4	Very high	94.9	Very high	105 Å²	105	30.5 Å²	30.5	40%	0.396	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	30.2	-171.6	-54.5	-168.2	-178	176.5	-2.4	113.1	F493 M781 E782 Y783 R787 E788 L789	F493-R785 HydrophobicContact CE1-CB 4.17Å; M781-R785 PolarHBondContact O-N 2.87Å; E782-R785 WeakPolarHBondContact O-CA 3.32Å; E782-R785 PolarHBondContact O-N 2.95Å; Y783-R785 PolarHBondContact O-N 3.09Å; R785-R787 PolarHBondContact O-N 2.92Å; R785-E788 HydrophobicContact CB-CB 4.48Å; R785-E788 HydrophobicContact CB-CG 4.49Å; R785-E788 PolarHBondContact O-N 3.41Å; R785-E788 VanDerWaalsContact O-N 3.14Å; R785-L789 PolarHBondContact O-N 3.1Å; R785-L789 VanDerWaalsContact O-N 3.14Å
786	F	93.7	Very high	94.9	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.031	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-24.3	-178.5	-169.3	-95	0	0	0	112	I727 P774 M781 L784 E788 L789 P790 A791 Y1064	I727-F786 HydrophobicContact CG2-CD2 4.01Å; I727-F786 HydrophobicContact CG2-CE2 4.25Å; I727-F786 HydrophobicContact CG2-CG 4.28Å; P774-F786 HydrophobicContact CG-CD1 4.37Å; P774-F786 HydrophobicContact CG-CE1 4.33Å; M781-F786 HydrophobicContact CB-CB 4.19Å; M781-F786 HydrophobicContact CG-CB 4.29Å; M781-F786 HydrophobicContact CG-CD1 4.5Å; M781-F786 PolarHBondContact O-N 3.09Å; M781-F786 VanDerWaalsContact O-N 3.08Å; M781-F786 HydrophobicContact SD-CD1 4.27Å; L784-F786 HydrophobicContact CB-CB 4.4Å; L784-F786 PolarHBondContact O-N 2.73Å; L784-F786 VanDerWaalsContact O-N 3.08Å; F786-E788 VanDerWaalsContact C-N 3.33Å; F786-L789 CarbonylContact O-C 3.6Å; F786-P790 WeakPolarHBondContact O-CA 3.29Å; F786-A791 HydrophobicContact CE2-CB 4.16Å; F786-A791 HydrophobicContact CZ-CB 4.17Å; F786-Y1064 HydrophobicContact CE1-CE1 4.13Å; F786-Y1064 HydrophobicContact CZ-CE1 4.16Å
787	R	93	Very high	95	Very high	95 Å²	95	30.7 Å²	30.7	36%	0.358	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-34.7	172.1	-74.6	178.7	162.8	162.2	-4.2	112.3	E782 R785	E782-R787 IonicContact OE2-NH1 3.62Å; E782-R787 PolarHBondContact OE2-NH1 2.96Å; R785-R787 PolarHBondContact O-N 2.92Å
788	E	94	Very high	95	Very high	109 Å²	109	30.5 Å²	30.5	51%	0.509	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-42.2	-179.8	-62.5	173.2	-162.8	0	0	111.5	L196 R785 F786 P790	L196-E788 HydrophobicContact CD1-CB 4.24Å; L196-E788 WeakPolarHBondContact CD1-OE2 3.34Å; L196-E788 WeakPolarHBondContact CD2-OE2 3.22Å; R785-E788 HydrophobicContact CB-CB 4.48Å; R785-E788 HydrophobicContact CB-CG 4.49Å; R785-E788 PolarHBondContact O-N 3.41Å; R785-E788 VanDerWaalsContact O-N 3.14Å; F786-E788 VanDerWaalsContact C-N 3.33Å; E788-P790 VanDerWaalsContact O-CD 3.29Å; E788-P790 WeakPolarHBondContact O-CD 3.29Å
789	L	94.8	Very high	95.1	Very high	15 Å²	15	31.3 Å²	31.3	8%	0.079	14%	0.139	C	C	.	.	S	Bend	trans	-120.8	72	179.7	-63.5	-178.7	0	0	0	112.5	L196 F493 V752 R785 F786	L196-L789 HydrophobicContact CD1-CD1 3.76Å; L196-L789 HydrophobicContact CD1-CD2 4.42Å; L196-L789 HydrophobicContact CD1-CG 3.86Å; F493-L789 HydrophobicContact CB-CB 4.14Å; F493-L789 HydrophobicContact CB-CD1 4.09Å; F493-L789 HydrophobicContact CD1-CD1 4.48Å; F493-L789 HydrophobicContact CD2-CD1 3.79Å; F493-L789 HydrophobicContact CE2-CD1 4.33Å; F493-L789 HydrophobicContact CG-CB 4.45Å; F493-L789 HydrophobicContact CG-CD1 3.88Å; V752-L789 HydrophobicContact CB-CD2 3.98Å; V752-L789 HydrophobicContact CG1-CD2 3.65Å; R785-L789 PolarHBondContact O-N 3.1Å; R785-L789 VanDerWaalsContact O-N 3.14Å; F786-L789 CarbonylContact O-C 3.6Å
790	P	95.9	Very high	95.2	Very high	9 Å²	9	28.9 Å²	28.9	6%	0.058	13%	0.132	C	C	.	.			trans	-73.8	162.1	-179.1	15.4	-14.4	0	0	0	114.2	P771 Q772 F786 E788 Y1064	P771-P790 HydrophobicContact CB-CB 4.42Å; P771-P790 HydrophobicContact CB-CG 4.02Å; Q772-P790 VanDerWaalsContact C-CG 3.48Å; Q772-P790 WeakPolarHBondContact O-CB 3.42Å; Q772-P790 WeakPolarHBondContact O-CG 3.1Å; F786-P790 WeakPolarHBondContact O-CA 3.29Å; E788-P790 VanDerWaalsContact O-CD 3.29Å; E788-P790 WeakPolarHBondContact O-CD 3.29Å; P790-Y1064 VanDerWaalsContact CB-OH 3.29Å; P790-Y1064 WeakPolarHBondContact CB-OH 3.45Å
791	A	94.2	Very high	95.3	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.033	16%	0.159	C	C	.	.			trans	-123	25.6	-174.9	0	0	0	0	0	114.5	T492 A749 M750 F786 Y1064	T492-A791 HydrophobicContact CG2-CB 4.15Å; A749-A791 HydrophobicContact CB-CB 3.99Å; M750-A791 CarbonylContact O-C 3.58Å; M750-A791 VanDerWaalsContact O-C 3.22Å; M750-A791 WeakPolarHBondContact O-CA 3.37Å; F786-A791 HydrophobicContact CE2-CB 4.16Å; F786-A791 HydrophobicContact CZ-CB 4.17Å; A791-Y1064 PolarHBondContact N-OH 3Å; A791-Y1064 VanDerWaalsContact N-OH 3.15Å
792	G	95.8	Very high	95.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.162	C	C	.	.			trans	-173.3	-175.8	-170.3	0	0	0	0	0	113.8	Q772 Y1064 Y1065	Q772-G792 PolarHBondContact N-O 2.91Å; G792-Y1064 VanDerWaalsContact C-CZ 3.42Å; G792-Y1064 VanDerWaalsContact CA-OH 3.28Å; G792-Y1064 WeakPolarHBondContact CA-OH 3.46Å; G792-Y1064 PolarHBondContact N-OH 3.39Å; G792-Y1064 PolarHBondContact O-OH 2.85Å; G792-Y1065 CarbonylContact C-O 3.1Å; G792-Y1065 WeakPolarHBondContact CA-O 3.39Å
793	I	97.8	Very high	95.5	Very high	9 Å²	9	32 Å²	32	5%	0.046	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142	-176.3	-59.8	-178.5	0	0	0	108.5	Y770 Q772 A795 F822 F823 Y1065	Y770-I793 WeakPolarHBondContact O-CG1 3.45Å; Q772-I793 HydrophobicContact CG-CG2 4.41Å; I793-A795 PolarHBondContact O-N 3.3Å; I793-F822 HydrophobicContact CB-CE2 4.39Å; I793-F822 HydrophobicContact CD1-CD2 4.37Å; I793-F822 HydrophobicContact CG2-CD2 4.11Å; I793-F822 HydrophobicContact CG2-CE2 3.85Å; I793-F823 HydrophobicContact CB-CD1 4.4Å; I793-F823 HydrophobicContact CB-CE1 3.79Å; I793-F823 HydrophobicContact CB-CE2 4.29Å; I793-F823 HydrophobicContact CB-CZ 3.71Å; I793-F823 HydrophobicContact CD1-CB 4.48Å; I793-F823 HydrophobicContact CD1-CD1 3.71Å; I793-F823 HydrophobicContact CD1-CE1 3.99Å; I793-F823 HydrophobicContact CD1-CG 3.98Å; I793-F823 HydrophobicContact CD1-CZ 4.49Å; I793-F823 HydrophobicContact CG1-CD1 3.95Å; I793-F823 HydrophobicContact CG1-CE1 3.71Å; I793-F823 HydrophobicContact CG1-CZ 4.16Å; I793-Y1065 PolarHBondContact N-O 3.07Å; I793-Y1065 PolarHBondContact O-N 3.07Å
794	N	97.7	Very high	95.6	Very high	27 Å²	27	32 Å²	32	14%	0.144	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	109.1	169.4	-55.4	-75.6	0	0	0	108.2	Q772 K773 L775	Q772-N794 PolarHBondContact OE1-ND2 3.15Å; K773-N794 PolarHBondContact O-ND2 3.49Å; L775-N794 HydrophobicContact CD1-CB 4.25Å; L775-N794 HydrophobicContact CG-CB 4.39Å; L775-N794 PolarHBondContact N-OD1 3.16Å
795	A	97.1	Very high	95.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	142.9	-179.9	0	0	0	0	0	109.9	I793 V797 F822 D981 I982 P1062 T1063	I793-A795 PolarHBondContact O-N 3.3Å; A795-V797 HydrophobicContact CB-CG2 4.27Å; A795-V797 PolarHBondContact O-N 2.77Å; A795-F822 HydrophobicContact CB-CE2 4.03Å; A795-F822 HydrophobicContact CB-CZ 3.73Å; A795-D981 HydrophobicContact CB-CB 4.28Å; A795-I982 HydrophobicContact CB-CD1 4.09Å; A795-I982 HydrophobicContact CB-CG1 4.41Å; A795-P1062 CarbonylContact O-C 3.46Å; A795-P1062 VanDerWaalsContact O-CA 3.31Å; A795-P1062 WeakPolarHBondContact O-CA 3.23Å; A795-T1063 PolarHBondContact N-O 2.8Å; A795-T1063 PolarHBondContact O-N 2.92Å
796	I	97.9	Very high	95.8	Very high	49 Å²	49	32.5 Å²	32.5	25%	0.251	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	113.1	167.2	-57.6	-71.7	0	0	0	107.9	I978 P980 D981 I982 L1060 P1062	I796-I978 HydrophobicContact CG2-CG2 4.24Å; I796-P980 HydrophobicContact CG2-CB 4.36Å; I796-D981 PolarHBondContact N-OD2 2.89Å; I796-D981 PolarHBondContact O-N 2.89Å; I796-I982 PolarHBondContact O-N 2.79Å; I796-L1060 HydrophobicContact CG2-CD1 3.72Å; I796-L1060 HydrophobicContact CG2-CG 4.16Å; I796-P1062 HydrophobicContact CD1-CB 4.24Å
797	V	97.6	Very high	95.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.8	-176.1	-178.3	0	0	0	0	110.4	A795 I982 I984 L1060 G1061 Y1065	A795-V797 HydrophobicContact CB-CG2 4.27Å; A795-V797 PolarHBondContact O-N 2.77Å; V797-I982 WeakPolarHBondContact CA-O 3.48Å; V797-I982 HydrophobicContact CG2-CB 4.43Å; V797-I984 HydrophobicContact CG1-CD1 4.11Å; V797-I984 HydrophobicContact CG1-CG1 4.08Å; V797-I984 HydrophobicContact CG1-CG2 4.12Å; V797-L1060 WeakPolarHBondContact O-CA 3.37Å; V797-G1061 PolarHBondContact N-O 2.83Å; V797-G1061 PolarHBondContact O-N 2.8Å; V797-Y1065 HydrophobicContact CG2-CD2 3.98Å; V797-Y1065 HydrophobicContact CG2-CE2 3.55Å
798	A	97.3	Very high	95.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.9	168.7	0	0	0	0	0	110.4	P980 I982 I983 I984 I1058 F1059 L1060	A798-P980 HydrophobicContact CB-CB 3.77Å; A798-P980 HydrophobicContact CB-CG 3.85Å; A798-I982 PolarHBondContact N-O 3.13Å; A798-I983 HydrophobicContact CB-CG1 4.33Å; A798-I983 HydrophobicContact CB-CG2 4.36Å; A798-I983 CarbonylContact O-C 3.53Å; A798-I983 WeakPolarHBondContact O-CA 3.1Å; A798-I984 PolarHBondContact O-N 2.9Å; A798-I1058 HydrophobicContact CB-CG2 4Å; A798-F1059 WeakPolarHBondContact CA-O 3.06Å; A798-L1060 HydrophobicContact CB-CD1 3.74Å
799	I	96.8	Very high	95.5	Very high	19 Å²	19	40 Å²	40	10%	0.097	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	93.6	174.2	-51	-171	0	0	0	108.1	I984 P986 L998 F1059	I799-I984 HydrophobicContact CB-CG1 4.21Å; I799-I984 HydrophobicContact CD1-CD1 3.99Å; I799-I984 HydrophobicContact CD1-CG1 4.47Å; I799-I984 HydrophobicContact CG1-CD1 3.77Å; I799-I984 HydrophobicContact CG1-CG1 3.74Å; I799-I984 HydrophobicContact CG2-CG1 4.22Å; I799-P986 HydrophobicContact CG2-CB 4.12Å; I799-P986 HydrophobicContact CG2-CG 4.01Å; I799-L998 HydrophobicContact CD1-CD2 3.37Å; I799-F1059 HydrophobicContact CB-CB 4.4Å; I799-F1059 HydrophobicContact CB-CD1 4.46Å; I799-F1059 HydrophobicContact CD1-CD1 3.61Å; I799-F1059 HydrophobicContact CD1-CE1 4.01Å; I799-F1059 HydrophobicContact CG1-CD1 3.9Å; I799-F1059 PolarHBondContact N-O 2.87Å
800	A	96.6	Very high	95.5	Very high	9 Å²	9	40.3 Å²	40.3	7%	0.074	21%	0.213	C	C	.	.			trans	-150.6	147.3	-173.5	0	0	0	0	0	112.4	Y802 N806 I983 I984 P986 I1058	A800-Y802 PolarHBondContact O-N 2.84Å; A800-N806 PolarHBondContact O-ND2 3.11Å; A800-I983 HydrophobicContact CB-CG2 4Å; A800-I983 WeakPolarHBondContact O-CG2 3.12Å; A800-I984 PolarHBondContact N-O 3.32Å; A800-P986 VanDerWaalsContact C-CD 3.42Å; A800-I1058 HydrophobicContact CB-CD1 3.73Å; A800-I1058 HydrophobicContact CB-CG1 4.33Å; A800-I1058 HydrophobicContact CB-CG2 3.88Å
801	T	96	Very high	95.5	Very high	97 Å²	97	40.4 Å²	40.4	60%	0.595	21%	0.213	S	C	*	.			trans	-80.5	109.6	163.1	52.7	0	0	0	0	108.6	P986	T801-P986 HydrophobicContact CG2-CG 4.19Å
802	Y	95.5	Very high	95.7	Very high	16 Å²	16	40.2 Å²	40.2	6%	0.063	21%	0.211	C	C	.	.			trans	-131.8	127.1	178.8	-165.4	-113.1	0	0	0	108.9	A800 G804 I812 Y966 D970 P972 I983 N1047 F1049	A800-Y802 PolarHBondContact O-N 2.84Å; Y802-G804 PolarHBondContact O-N 3.25Å; Y802-I812 HydrophobicContact CD1-CD1 4.34Å; Y802-I812 WeakPolarHBondContact O-CD1 3.46Å; Y802-Y966 HydrophobicContact CD1-CE2 4.47Å; Y802-Y966 HydrophobicContact CE1-CD2 4.47Å; Y802-Y966 HydrophobicContact CE1-CE2 4.45Å; Y802-D970 WeakPolarHBondContact CE1-O 3.4Å; Y802-D970 PolarHBondContact OH-O 3.25Å; Y802-P972 HydrophobicContact CE2-CB 4.45Å; Y802-P972 HydrophobicContact CE2-CG 4.48Å; Y802-I983 HydrophobicContact CD1-CD1 3.99Å; Y802-I983 HydrophobicContact CG-CD1 4.27Å; Y802-N1047 PolarHBondContact OH-OD1 2.83Å; Y802-F1049 AromaticContact CE1-CE2 3.83Å; Y802-F1049 HydrophobicContact CE1-CE2 3.83Å; Y802-F1049 HydrophobicContact CE1-CZ 4.3Å; Y802-F1049 HydrophobicContact CE2-CE2 4.32Å; Y802-F1049 AromaticContact CZ-CE2 3.49Å; Y802-F1049 VanDerWaalsContact CZ-CE2 3.49Å; Y802-F1049 VanDerWaalsContact OH-CD2 3.31Å; Y802-F1049 WeakPolarHBondContact OH-CD2 3.47Å; Y802-F1049 WeakPolarHBondContact OH-CE2 3.46Å
803	T	95	Very high	95.8	Very high	65 Å²	65	40.2 Å²	40.2	40%	0.399	21%	0.211	S	C	.	.	S	Bend	trans	52.2	-12	178.3	64.8	0	0	0	0	119.1	Y966 F1049	T803-Y966 WeakPolarHBondContact CB-OH 3.22Å; T803-Y966 HydrophobicContact CG2-CE2 4.15Å; T803-Y966 WeakPolarHBondContact CG2-OH 3.42Å; T803-Y966 WeakPolarHBondContact OG1-CE2 3.31Å; T803-Y966 PolarHBondContact OG1-OH 2.75Å; T803-Y966 VanDerWaalsContact OG1-OH 3.06Å; T803-F1049 HydrophobicContact CG2-CE2 3.63Å; T803-F1049 HydrophobicContact CG2-CZ 4.05Å
804	G	94.3	Very high	95.8	Very high	29 Å²	29	39.8 Å²	39.8	30%	0.299	21%	0.209	S	C	.	.	S	Bend	trans	95.5	-13.7	179.4	0	0	0	0	0	115	Y802 N806 Q807	Y802-G804 PolarHBondContact O-N 3.25Å; G804-N806 PolarHBondContact O-N 2.95Å; G804-N806 VanDerWaalsContact O-N 3.13Å; G804-Q807 WeakPolarHBondContact O-CG 3.48Å; G804-Q807 PolarHBondContact O-N 3.4Å
805	Y	96.2	Very high	95.8	Very high	120 Å²	120	40.7 Å²	40.7	47%	0.471	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	8.5	-177.3	-67.8	-80.6	0	0	0	115.1	S810 I964 Y966	Y805-S810 PolarHBondContact O-OG 2.95Å; Y805-I964 HydrophobicContact CD1-CB 4.07Å; Y805-I964 HydrophobicContact CD1-CD1 4.13Å; Y805-I964 HydrophobicContact CD1-CG2 4.39Å; Y805-I964 HydrophobicContact CD2-CB 4.4Å; Y805-I964 HydrophobicContact CD2-CD1 3.83Å; Y805-I964 HydrophobicContact CD2-CG2 4.01Å; Y805-I964 HydrophobicContact CE1-CD1 4.07Å; Y805-I964 HydrophobicContact CE2-CD1 3.77Å; Y805-I964 HydrophobicContact CG-CB 3.86Å; Y805-I964 HydrophobicContact CG-CD1 4.02Å; Y805-I964 HydrophobicContact CG-CG2 3.68Å; Y805-Y966 WeakPolarHBondContact CD2-OH 3.46Å
806	N	95.8	Very high	95.8	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	10.5	170.4	65.9	-2	0	0	0	113.3	A800 G804 S810 I812 N985	A800-N806 PolarHBondContact O-ND2 3.11Å; G804-N806 PolarHBondContact O-N 2.95Å; G804-N806 VanDerWaalsContact O-N 3.13Å; N806-S810 CarbonylContact C-O 3.22Å; N806-S810 VanDerWaalsContact CA-O 3.29Å; N806-S810 WeakPolarHBondContact CA-O 3.39Å; N806-S810 WeakPolarHBondContact CA-OG 3.34Å; N806-S810 WeakPolarHBondContact CB-O 3.34Å; N806-I812 HydrophobicContact CB-CD1 3.93Å; N806-I812 HydrophobicContact CB-CG1 3.99Å; N806-N985 HydrophobicContact CB-CB 4.37Å; N806-N985 WeakPolarHBondContact O-CB 3.35Å
807	Q	94.2	Very high	95.8	Very high	121 Å²	121	39.4 Å²	39.4	57%	0.565	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	156.5	175.6	-68.9	178.1	-7.2	0	0	112.7	G804 D809 S810	G804-Q807 WeakPolarHBondContact O-CG 3.48Å; G804-Q807 PolarHBondContact O-N 3.4Å; Q807-D809 PolarHBondContact O-N 3.2Å; Q807-S810 PolarHBondContact N-OG 2.95Å; Q807-S810 WeakPolarHBondContact O-CB 3.37Å; Q807-S810 PolarHBondContact O-N 3.27Å; Q807-S810 PolarHBondContact O-OG 2.71Å
808	E	89.8	Confident	95.7	Very high	186 Å²	186	39.7 Å²	39.7	87%	0.869	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	60.3	172.5	-63.8	-60.3	142.9	0	0	114.9	S810	E808-S810 VanDerWaalsContact C-N 3.29Å; E808-S810 PolarHBondContact O-N 2.92Å
809	D	88.8	Confident	95.7	Very high	63 Å²	63	45.2 Å²	45.2	34%	0.337	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	33.2	-179.1	-67.5	-33.9	0	0	0	114.9	Q807 G960 T961 R992	Q807-D809 PolarHBondContact O-N 3.2Å; D809-G960 CarbonylContact O-C 3.45Å; D809-G960 WeakPolarHBondContact O-CA 3.45Å; D809-T961 PolarHBondContact O-N 2.88Å; D809-R992 IonicContact OD1-CZ 2.61Å; D809-R992 IonicContact OD1-NH1 2.97Å; D809-R992 PolarHBondContact OD1-NH1 3.45Å; D809-R992 IonicContact OD1-NH2 2.88Å; D809-R992 PolarHBondContact OD1-NH2 3.36Å; D809-R992 IonicContact OD2-CZ 3.55Å; D809-R992 IonicContact OD2-NH1 3.12Å; D809-R992 IonicContact OD2-NH2 2.81Å; D809-R992 PolarHBondContact OD2-NH2 2.76Å
810	S	95.1	Very high	95.7	Very high	21 Å²	21	52.5 Å²	52.5	15%	0.147	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	157.5	165.7	62.3	0	0	0	0	111.9	Y805 N806 Q807 E808 T961	Y805-S810 PolarHBondContact O-OG 2.95Å; N806-S810 CarbonylContact C-O 3.22Å; N806-S810 VanDerWaalsContact CA-O 3.29Å; N806-S810 WeakPolarHBondContact CA-O 3.39Å; N806-S810 WeakPolarHBondContact CA-OG 3.34Å; N806-S810 WeakPolarHBondContact CB-O 3.34Å; Q807-S810 PolarHBondContact N-OG 2.95Å; Q807-S810 WeakPolarHBondContact O-CB 3.37Å; Q807-S810 PolarHBondContact O-N 3.27Å; Q807-S810 PolarHBondContact O-OG 2.71Å; E808-S810 VanDerWaalsContact C-N 3.29Å; E808-S810 PolarHBondContact O-N 2.92Å; S810-T961 CarbonylContact C-O 3.56Å; S810-T961 VanDerWaalsContact CA-O 3.23Å; S810-T961 WeakPolarHBondContact CA-O 3.46Å
811	V	96.6	Very high	95.7	Very high	10 Å²	10	52.3 Å²	52.3	6%	0.061	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.1	177.2	-58.7	0	0	0	0	110.1	I813 T961 C962 G963 I982 I984	V811-I813 HydrophobicContact CG2-CD1 4.2Å; V811-I813 HydrophobicContact CG2-CG1 4.04Å; V811-T961 PolarHBondContact N-O 3.24Å; V811-C962 WeakPolarHBondContact O-CA 3.41Å; V811-G963 PolarHBondContact O-N 3.28Å; V811-I982 HydrophobicContact CB-CG2 3.93Å; V811-I982 HydrophobicContact CG1-CG2 4.32Å; V811-I982 HydrophobicContact CG2-CG2 4.35Å; V811-I984 HydrophobicContact CG1-CG2 3.89Å
812	I	97.9	Very high	95.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133.4	170.7	-66.4	157.7	0	0	0	107.4	Y802 N806 I964 Y966 M971 I982 I983	Y802-I812 HydrophobicContact CD1-CD1 4.34Å; Y802-I812 WeakPolarHBondContact O-CD1 3.46Å; N806-I812 HydrophobicContact CB-CD1 3.93Å; N806-I812 HydrophobicContact CB-CG1 3.99Å; I812-I964 HydrophobicContact CB-CG2 4.39Å; I812-I964 HydrophobicContact CG1-CG2 3.79Å; I812-I964 HydrophobicContact CG2-CG2 4.18Å; I812-Y966 HydrophobicContact CG2-CD2 3.55Å; I812-Y966 HydrophobicContact CG2-CE2 4.09Å; I812-M971 HydrophobicContact CG2-SD 4.13Å; I812-I982 CarbonylContact O-C 3.44Å; I812-I982 VanDerWaalsContact O-CA 3.31Å; I812-I982 WeakPolarHBondContact O-CA 3.43Å; I812-I983 HydrophobicContact CB-CB 4.13Å; I812-I983 HydrophobicContact CG2-CD1 4.33Å; I812-I983 PolarHBondContact N-O 3.17Å; I812-I983 VanDerWaalsContact N-O 3.14Å; I812-I983 PolarHBondContact O-N 2.93Å
813	I	97.4	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.3	-179.9	-55.1	-175.9	0	0	0	110.6	V811 E815 I818 F822 F952 C962 I964 R965 Y966 D981 I982	V811-I813 HydrophobicContact CG2-CD1 4.2Å; V811-I813 HydrophobicContact CG2-CG1 4.04Å; I813-E815 PolarHBondContact O-N 3.13Å; I813-I818 HydrophobicContact CB-CD1 4.35Å; I813-I818 HydrophobicContact CG2-CD1 3.63Å; I813-I818 HydrophobicContact CG2-CG1 4.03Å; I813-F822 HydrophobicContact CG2-CD1 4.25Å; I813-F822 HydrophobicContact CG2-CE1 4.1Å; I813-F952 HydrophobicContact CD1-CD2 3.84Å; I813-F952 HydrophobicContact CD1-CE2 3.56Å; I813-F952 HydrophobicContact CD1-CG 4.5Å; I813-F952 HydrophobicContact CD1-CZ 4Å; I813-C962 HydrophobicContact CD1-CB 3.73Å; I813-C962 HydrophobicContact CG1-CB 4.35Å; I813-I964 PolarHBondContact N-O 3.29Å; I813-I964 VanDerWaalsContact N-O 3.1Å; I813-R965 WeakPolarHBondContact O-CA 3.44Å; I813-Y966 PolarHBondContact O-N 2.77Å; I813-Y966 VanDerWaalsContact O-N 3.11Å; I813-D981 CarbonylContact C-O 3.55Å; I813-D981 WeakPolarHBondContact CA-O 3.42Å; I813-I982 HydrophobicContact CG1-CG1 4.46Å
814	N	97.7	Very high	95.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	113.2	174.7	-167.2	-29.7	0	0	0	111.4	S816 A817 I818 Y966 M971 T979 P980 D981	N814-S816 VanDerWaalsContact C-N 3.33Å; N814-S816 PolarHBondContact O-N 2.83Å; N814-S816 WeakPolarHBondContact OD1-CB 3.45Å; N814-S816 PolarHBondContact OD1-N 2.9Å; N814-A817 HydrophobicContact CB-CB 3.91Å; N814-A817 WeakPolarHBondContact O-CB 3.48Å; N814-A817 PolarHBondContact O-N 3.12Å; N814-A817 PolarHBondContact OD1-N 2.59Å; N814-I818 PolarHBondContact O-N 2.78Å; N814-Y966 CarbonylContact C-O 3.44Å; N814-Y966 WeakPolarHBondContact CA-O 3.05Å; N814-M971 HydrophobicContact CB-CE 4.11Å; N814-T979 PolarHBondContact ND2-OG1 3.4Å; N814-P980 PolarHBondContact ND2-O 2.72Å; N814-D981 PolarHBondContact N-O 2.84Å
815	E	97.6	Very high	96	Very high	47 Å²	47	47.1 Å²	47.1	22%	0.22	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-38.5	178.1	-174.2	162.3	-145.3	0	0	111.9	I813 A817 I818 Q819 R965 Y966 R967	I813-E815 PolarHBondContact O-N 3.13Å; E815-A817 VanDerWaalsContact C-N 3.28Å; E815-A817 PolarHBondContact O-N 2.99Å; E815-I818 WeakPolarHBondContact O-CB 3.41Å; E815-I818 PolarHBondContact O-N 3.21Å; E815-I818 VanDerWaalsContact O-N 3.13Å; E815-Q819 WeakPolarHBondContact O-CG 3.45Å; E815-Q819 PolarHBondContact O-N 2.87Å; E815-R965 HydrophobicContact CB-CB 4.01Å; E815-R965 IonicContact OE1-CZ 3.73Å; E815-R965 IonicContact OE1-NE 2.7Å; E815-R965 IonicContact OE1-NH2 3.02Å; E815-R965 PolarHBondContact OE1-NH2 3.24Å; E815-Y966 WeakPolarHBondContact CB-O 3.25Å; E815-Y966 PolarHBondContact N-O 2.91Å; E815-R967 HydrophobicContact CB-CG 4.2Å; E815-R967 HydrophobicContact CG-CG 4.42Å; E815-R967 WeakPolarHBondContact OE2-CG 3.42Å
816	S	97.7	Very high	95.9	Very high	14 Å²	14	42.8 Å²	42.8	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-34.4	178	-56.1	0	0	0	0	111.3	N814 Q819 R820 Q968	N814-S816 VanDerWaalsContact C-N 3.33Å; N814-S816 PolarHBondContact O-N 2.83Å; N814-S816 WeakPolarHBondContact OD1-CB 3.45Å; N814-S816 PolarHBondContact OD1-N 2.9Å; S816-Q819 PolarHBondContact O-N 3.09Å; S816-R820 VanDerWaalsContact O-CG 3.3Å; S816-R820 WeakPolarHBondContact O-CG 3.39Å; S816-R820 PolarHBondContact O-N 2.96Å; S816-R820 VanDerWaalsContact O-N 3.12Å; S816-Q968 WeakPolarHBondContact OG-CB 3.45Å; S816-Q968 PolarHBondContact OG-N 3.37Å
817	A	97.3	Very high	95.9	Very high	7 Å²	7	43.3 Å²	43.3	6%	0.058	20%	0.2	C	C	.	.	H	α-helix	trans	-65.4	-43	172	0	0	0	0	0	111.6	N814 E815 Q819 R820 G821 F822	N814-A817 HydrophobicContact CB-CB 3.91Å; N814-A817 WeakPolarHBondContact O-CB 3.48Å; N814-A817 PolarHBondContact O-N 3.12Å; N814-A817 PolarHBondContact OD1-N 2.59Å; E815-A817 VanDerWaalsContact C-N 3.28Å; E815-A817 PolarHBondContact O-N 2.99Å; A817-Q819 VanDerWaalsContact C-N 3.3Å; A817-Q819 PolarHBondContact O-N 3.12Å; A817-R820 CarbonylContact O-C 3.35Å; A817-R820 WeakPolarHBondContact O-CB 3.31Å; A817-R820 PolarHBondContact O-N 3.41Å; A817-R820 VanDerWaalsContact O-N 3.1Å; A817-G821 PolarHBondContact O-N 2.8Å; A817-F822 HydrophobicContact CB-CB 3.92Å; A817-F822 HydrophobicContact CB-CD1 4.36Å; A817-F822 HydrophobicContact CB-CG 4.2Å; A817-F822 WeakPolarHBondContact O-CB 3.46Å; A817-F822 PolarHBondContact O-N 3.18Å
818	I	96.9	Very high	96	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.036	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-39.1	175.5	-65.5	165.4	0	0	0	111.4	I813 N814 E815 R820 G821 F822 R824 P946 R965	I813-I818 HydrophobicContact CB-CD1 4.35Å; I813-I818 HydrophobicContact CG2-CD1 3.63Å; I813-I818 HydrophobicContact CG2-CG1 4.03Å; N814-I818 PolarHBondContact O-N 2.78Å; E815-I818 WeakPolarHBondContact O-CB 3.41Å; E815-I818 PolarHBondContact O-N 3.21Å; E815-I818 VanDerWaalsContact O-N 3.13Å; I818-R820 VanDerWaalsContact C-N 3.28Å; I818-R820 PolarHBondContact O-N 3.11Å; I818-G821 PolarHBondContact O-N 3.21Å; I818-G821 VanDerWaalsContact O-N 3.12Å; I818-F822 HydrophobicContact CG1-CD1 4.38Å; I818-R824 PolarHBondContact O-NE 3.35Å; I818-R824 VanDerWaalsContact O-NE 3.08Å; I818-R824 PolarHBondContact O-NH2 3.07Å; I818-R824 VanDerWaalsContact O-NH2 3.08Å; I818-P946 HydrophobicContact CD1-CB 3.89Å; I818-P946 HydrophobicContact CG1-CB 4.01Å; I818-P946 HydrophobicContact CG1-CG 4.34Å; I818-P946 HydrophobicContact CG2-CB 4.32Å; I818-P946 HydrophobicContact CG2-CG 4.44Å; I818-R965 HydrophobicContact CD1-CG 4.19Å
819	Q	96.6	Very high	96.2	Very high	117 Å²	117	31 Å²	31	55%	0.547	14%	0.141	S	C	.	.	H	α-helix	trans	-63.2	-35	175.3	-72.6	178.5	-0	0	0	112.2	E815 S816 A817 G821 R824	E815-Q819 WeakPolarHBondContact O-CG 3.45Å; E815-Q819 PolarHBondContact O-N 2.87Å; S816-Q819 PolarHBondContact O-N 3.09Å; A817-Q819 VanDerWaalsContact C-N 3.3Å; A817-Q819 PolarHBondContact O-N 3.12Å; Q819-G821 VanDerWaalsContact C-N 3.27Å; Q819-G821 PolarHBondContact O-N 2.99Å; Q819-R824 PolarHBondContact O-NH2 2.66Å
820	R	97.1	Very high	96.5	Very high	173 Å²	173	28.5 Å²	28.5	65%	0.653	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-8.3	174	-67	168	-173.8	156.1	6.8	114.4	S816 A817 I818	S816-R820 VanDerWaalsContact O-CG 3.3Å; S816-R820 WeakPolarHBondContact O-CG 3.39Å; S816-R820 PolarHBondContact O-N 2.96Å; S816-R820 VanDerWaalsContact O-N 3.12Å; A817-R820 CarbonylContact O-C 3.35Å; A817-R820 WeakPolarHBondContact O-CB 3.31Å; A817-R820 PolarHBondContact O-N 3.41Å; A817-R820 VanDerWaalsContact O-N 3.1Å; I818-R820 VanDerWaalsContact C-N 3.28Å; I818-R820 PolarHBondContact O-N 3.11Å
821	G	95.7	Very high	96.5	Very high	5 Å²	5	28.7 Å²	28.7	5%	0.052	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.5	5	177.1	0	0	0	0	0	115.4	A817 I818 Q819 F823 R824	A817-G821 PolarHBondContact O-N 2.8Å; I818-G821 PolarHBondContact O-N 3.21Å; I818-G821 VanDerWaalsContact O-N 3.12Å; Q819-G821 VanDerWaalsContact C-N 3.27Å; Q819-G821 PolarHBondContact O-N 2.99Å; G821-F823 PolarHBondContact O-N 3.49Å; G821-R824 PolarHBondContact O-N 3.42Å
822	F	96.8	Very high	96.4	Very high	20 Å²	20	33.9 Å²	33.9	9%	0.088	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	123.2	177.9	-174.4	-119.7	0	0	0	111.1	I793 A795 I813 A817 I818 R824 P946 D981 I982	I793-F822 HydrophobicContact CB-CE2 4.39Å; I793-F822 HydrophobicContact CD1-CD2 4.37Å; I793-F822 HydrophobicContact CG2-CD2 4.11Å; I793-F822 HydrophobicContact CG2-CE2 3.85Å; A795-F822 HydrophobicContact CB-CE2 4.03Å; A795-F822 HydrophobicContact CB-CZ 3.73Å; I813-F822 HydrophobicContact CG2-CD1 4.25Å; I813-F822 HydrophobicContact CG2-CE1 4.1Å; A817-F822 HydrophobicContact CB-CB 3.92Å; A817-F822 HydrophobicContact CB-CD1 4.36Å; A817-F822 HydrophobicContact CB-CG 4.2Å; A817-F822 WeakPolarHBondContact O-CB 3.46Å; A817-F822 PolarHBondContact O-N 3.18Å; I818-F822 HydrophobicContact CG1-CD1 4.38Å; F822-R824 PolarHBondContact O-N 3Å; F822-P946 WeakPolarHBondContact O-CG 3.3Å; F822-D981 HydrophobicContact CE1-CB 4.19Å; F822-D981 HydrophobicContact CE2-CB 4.31Å; F822-D981 HydrophobicContact CZ-CB 3.86Å; F822-I982 HydrophobicContact CE1-CD1 4.29Å; F822-I982 HydrophobicContact CE1-CG1 4.2Å; F822-I982 HydrophobicContact CZ-CD1 4.11Å; F822-I982 HydrophobicContact CZ-CG1 4.23Å
823	F	97.3	Very high	96.2	Very high	1 Å²	1	35 Å²	35	0%	0.004	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	17.8	-179.8	-78.6	-59.2	0	0	0	116.9	L768 I793 G821 S825 P946 F952 Y1065 R1067	L768-F823 HydrophobicContact CD2-CD1 4.29Å; I793-F823 HydrophobicContact CB-CD1 4.4Å; I793-F823 HydrophobicContact CB-CE1 3.79Å; I793-F823 HydrophobicContact CB-CE2 4.29Å; I793-F823 HydrophobicContact CB-CZ 3.71Å; I793-F823 HydrophobicContact CD1-CB 4.48Å; I793-F823 HydrophobicContact CD1-CD1 3.71Å; I793-F823 HydrophobicContact CD1-CE1 3.99Å; I793-F823 HydrophobicContact CD1-CG 3.98Å; I793-F823 HydrophobicContact CD1-CZ 4.49Å; I793-F823 HydrophobicContact CG1-CD1 3.95Å; I793-F823 HydrophobicContact CG1-CE1 3.71Å; I793-F823 HydrophobicContact CG1-CZ 4.16Å; G821-F823 PolarHBondContact O-N 3.49Å; F823-S825 PolarHBondContact O-N 2.82Å; F823-P946 HydrophobicContact CB-CG 3.66Å; F823-F952 HydrophobicContact CB-CE1 4.05Å; F823-F952 HydrophobicContact CD2-CD1 4.13Å; F823-F952 AromaticContact CD2-CE1 3.75Å; F823-F952 HydrophobicContact CD2-CE1 3.75Å; F823-F952 HydrophobicContact CE2-CD1 4.27Å; F823-F952 HydrophobicContact CE2-CE1 4.34Å; F823-F952 HydrophobicContact CG-CD1 4.5Å; F823-F952 AromaticContact CG-CE1 3.89Å; F823-F952 HydrophobicContact CG-CE1 3.89Å; F823-Y1065 WeakPolarHBondContact CE1-O 3.13Å; F823-Y1065 VanDerWaalsContact CZ-O 3.25Å; F823-Y1065 WeakPolarHBondContact CZ-O 3.43Å; F823-R1067 HydrophobicContact CD1-CB 3.74Å; F823-R1067 HydrophobicContact CE1-CB 4.23Å; F823-R1067 HydrophobicContact CG-CB 4.26Å; F823-R1067 WeakPolarHBondContact O-CD 3.43Å; F823-R1067 PolarHBondContact O-NH1 3.39Å
824	R	97	Very high	96	Very high	77 Å²	77	38.1 Å²	38.1	29%	0.291	17%	0.168	S	C	.	.			trans	-61.6	138	171.5	-70.6	-170.4	-173.5	175.2	1.1	110.2	Y769 I818 Q819 G821 F822	Y769-R824 HydrophobicContact CD1-CB 4.28Å; Y769-R824 WeakPolarHBondContact CD1-O 3.35Å; Y769-R824 HydrophobicContact CD2-CB 4Å; Y769-R824 HydrophobicContact CE2-CB 4.36Å; Y769-R824 HydrophobicContact CG-CB 3.98Å; Y769-R824 PolarHBondContact N-O 2.92Å; I818-R824 PolarHBondContact O-NE 3.35Å; I818-R824 VanDerWaalsContact O-NE 3.08Å; I818-R824 PolarHBondContact O-NH2 3.07Å; I818-R824 VanDerWaalsContact O-NH2 3.08Å; Q819-R824 PolarHBondContact O-NH2 2.66Å; G821-R824 PolarHBondContact O-N 3.42Å; F822-R824 PolarHBondContact O-N 3Å
825	S	96.1	Very high	95.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.6	178.6	61.6	0	0	0	0	111.2	V767 F823 K944 R1067	V767-S825 CarbonylContact O-C 3.46Å; V767-S825 WeakPolarHBondContact O-CA 3.36Å; V767-S825 VanDerWaalsContact O-CB 3.31Å; V767-S825 WeakPolarHBondContact O-CB 3.43Å; F823-S825 PolarHBondContact O-N 2.82Å; S825-K944 PolarHBondContact N-O 3.35Å; S825-K944 VanDerWaalsContact N-O 3.13Å; S825-K944 PolarHBondContact O-N 2.83Å; S825-R1067 PolarHBondContact OG-NH1 2.89Å; S825-R1067 VanDerWaalsContact OG-NH1 3.13Å
826	E	95	Very high	95.3	Very high	29 Å²	29	38.5 Å²	38.5	14%	0.136	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.1	167.2	-158.8	147.7	-154.5	0	0	108.8	N766 V767 Y769 Y828 R941	N766-E826 WeakPolarHBondContact CA-O 3.49Å; V767-E826 PolarHBondContact N-O 2.78Å; V767-E826 PolarHBondContact O-N 3.12Å; Y769-E826 HydrophobicContact CE1-CB 3.91Å; E826-Y828 HydrophobicContact CB-CE2 3.92Å; E826-Y828 VanDerWaalsContact CD-OH 3.3Å; E826-Y828 HydrophobicContact CG-CD2 4.42Å; E826-Y828 HydrophobicContact CG-CE1 4.12Å; E826-Y828 HydrophobicContact CG-CE2 3.81Å; E826-Y828 PolarHBondContact OE2-OH 3.47Å; E826-R941 HydrophobicContact CG-CB 4.2Å; E826-R941 VanDerWaalsContact OE1-CD 3.23Å; E826-R941 WeakPolarHBondContact OE1-CD 3.33Å; E826-R941 IonicContact OE1-CZ 2.66Å; E826-R941 IonicContact OE1-NH1 2.76Å; E826-R941 PolarHBondContact OE1-NH1 2.78Å; E826-R941 VanDerWaalsContact OE1-NH1 3.11Å
827	F	95.4	Very high	94.5	Very high	11 Å²	11	46 Å²	46	5%	0.048	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.7	173.4	174.8	-112.8	0	0	0	108.9	L764 A765 N766 R829 R941 T942 K944	L764-F827 HydrophobicContact CD2-CE2 3.75Å; L764-F827 HydrophobicContact CD2-CZ 3.49Å; L764-F827 VanDerWaalsContact CD2-CZ 3.49Å; A765-F827 WeakPolarHBondContact O-CA 3.23Å; N766-F827 VanDerWaalsContact OD1-CD2 3.26Å; N766-F827 WeakPolarHBondContact OD1-CD2 3.31Å; F827-R829 HydrophobicContact CE1-CB 4.03Å; F827-R829 HydrophobicContact CZ-CB 4.26Å; F827-R941 CarbonylContact O-C 3.58Å; F827-R941 WeakPolarHBondContact O-CA 3.45Å; F827-T942 PolarHBondContact N-O 2.84Å; F827-T942 PolarHBondContact O-N 2.91Å; F827-K944 HydrophobicContact CB-CG 4.12Å
828	Y	95.7	Very high	93.5	Very high	24 Å²	24	51.1 Å²	51.1	9%	0.094	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.9	174	-58.7	-88.1	0	0	0	110.1	F757 L764 A765 V767 E826 R939 V940 R941	F757-Y828 HydrophobicContact CD2-CE2 4.32Å; F757-Y828 HydrophobicContact CE2-CE2 4.25Å; L764-Y828 WeakPolarHBondContact CA-O 3.47Å; A765-Y828 HydrophobicContact CB-CD2 4.29Å; A765-Y828 PolarHBondContact N-O 3.48Å; A765-Y828 PolarHBondContact O-N 3.24Å; V767-Y828 HydrophobicContact CG2-CE2 4.27Å; E826-Y828 HydrophobicContact CB-CE2 3.92Å; E826-Y828 VanDerWaalsContact CD-OH 3.3Å; E826-Y828 HydrophobicContact CG-CD2 4.42Å; E826-Y828 HydrophobicContact CG-CE1 4.12Å; E826-Y828 HydrophobicContact CG-CE2 3.81Å; E826-Y828 PolarHBondContact OE2-OH 3.47Å; Y828-R939 HydrophobicContact CD1-CG 4.15Å; Y828-V940 WeakPolarHBondContact CA-O 3.16Å; Y828-R941 HydrophobicContact CD1-CB 3.7Å; Y828-R941 HydrophobicContact CE1-CB 3.68Å
829	R	94.8	Very high	92.4	Very high	24 Å²	24	53.8 Å²	53.8	9%	0.091	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.3	169.3	-178.1	-178.4	-68	-72.6	0.5	109.7	T763 L764 F827 Y831 E917 V940	T763-R829 WeakPolarHBondContact O-CA 3.44Å; L764-R829 HydrophobicContact CD2-CB 4.43Å; L764-R829 HydrophobicContact CD2-CG 4.25Å; L764-R829 VanDerWaalsContact CD2-CZ 3.42Å; F827-R829 HydrophobicContact CE1-CB 4.03Å; F827-R829 HydrophobicContact CZ-CB 4.26Å; R829-Y831 HydrophobicContact CB-CE2 4.41Å; R829-Y831 WeakPolarHBondContact CD-OH 3.43Å; R829-Y831 HydrophobicContact CG-CD2 4.33Å; R829-Y831 HydrophobicContact CG-CE2 3.83Å; R829-E917 WeakPolarHBondContact CD-OE2 3.14Å; R829-E917 IonicContact CZ-OE1 3.38Å; R829-E917 IonicContact CZ-OE2 3.75Å; R829-E917 IonicContact NE-OE1 3.17Å; R829-E917 PolarHBondContact NE-OE1 2.88Å; R829-E917 IonicContact NE-OE2 3.76Å; R829-E917 PolarHBondContact NE-OE2 2.97Å; R829-E917 IonicContact NH2-OE1 2.76Å; R829-E917 PolarHBondContact NH2-OE1 3.11Å; R829-V940 PolarHBondContact N-O 3.15Å; R829-V940 PolarHBondContact O-N 3.38Å
830	T	95.5	Very high	91.3	Very high	12 Å²	12	57.2 Å²	57.2	7%	0.074	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.5	174.9	-55.3	0	0	0	0	110.3	M761 D762 T763 K937 V938	M761-T830 HydrophobicContact CB-CG2 4.24Å; M761-T830 HydrophobicContact CE-CG2 4.16Å; D762-T830 WeakPolarHBondContact O-CB 3.49Å; D762-T830 PolarHBondContact O-OG1 3.33Å; T763-T830 PolarHBondContact O-N 3.4Å; T763-T830 VanDerWaalsContact O-N 3.13Å; T830-K937 HydrophobicContact CG2-CB 3.93Å; T830-K937 HydrophobicContact CG2-CD 4.4Å; T830-K937 HydrophobicContact CG2-CG 4.37Å; T830-V938 CarbonylContact C-O 3.56Å; T830-V938 WeakPolarHBondContact CA-O 3.33Å
831	Y	94.9	Very high	90.2	Very high	25 Å²	25	54.9 Å²	54.9	10%	0.098	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.3	167.7	-64.5	-93.8	0	0	0	108.5	R829 L883 V911 R914 E917 K937 V938 V940	R829-Y831 HydrophobicContact CB-CE2 4.41Å; R829-Y831 WeakPolarHBondContact CD-OH 3.43Å; R829-Y831 HydrophobicContact CG-CD2 4.33Å; R829-Y831 HydrophobicContact CG-CE2 3.83Å; Y831-L883 HydrophobicContact CD1-CD1 4.24Å; Y831-L883 HydrophobicContact CD2-CD1 3.42Å; Y831-L883 VanDerWaalsContact CD2-CD1 3.42Å; Y831-L883 HydrophobicContact CE1-CD1 4.38Å; Y831-L883 HydrophobicContact CE2-CD1 3.6Å; Y831-L883 HydrophobicContact CG-CD1 3.77Å; Y831-V911 HydrophobicContact CD1-CG1 4.1Å; Y831-R914 PolarHBondContact OH-N 3.14Å; Y831-E917 PolarHBondContact OH-OE2 2.95Å; Y831-E917 VanDerWaalsContact OH-OE2 3.13Å; Y831-K937 CarbonylContact O-C 3.51Å; Y831-K937 VanDerWaalsContact O-CA 3.3Å; Y831-K937 WeakPolarHBondContact O-CA 3.13Å; Y831-V938 PolarHBondContact N-O 3.43Å; Y831-V938 PolarHBondContact O-N 3.37Å; Y831-V940 HydrophobicContact CD2-CG2 4.29Å; Y831-V940 HydrophobicContact CE2-CG2 4.27Å
832	K	93.6	Very high	89.6	Confident	119 Å²	119	57.6 Å²	57.6	52%	0.517	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.3	-180	67.4	177.1	-177.3	174	0	110	F935 C936 K937	K832-F935 HydrophobicContact CB-CE2 3.92Å; K832-F935 HydrophobicContact CB-CZ 3.85Å; K832-F935 HydrophobicContact CD-CE2 4.43Å; K832-F935 HydrophobicContact CD-CZ 4.25Å; K832-F935 HydrophobicContact CG-CE2 4.49Å; K832-C936 WeakPolarHBondContact CA-O 3.38Å; K832-K937 HydrophobicContact CB-CG 3.99Å
833	D	94.5	Very high	89.1	Confident	24 Å²	24	59.8 Å²	59.8	13%	0.128	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	160.7	173.5	-152.9	-8.6	0	0	0	110.3	F846 I884 K886 V911 F935 C936	D833-F846 HydrophobicContact CB-CE1 4.19Å; D833-F846 HydrophobicContact CB-CZ 4.2Å; D833-I884 HydrophobicContact CB-CD1 3.81Å; D833-I884 HydrophobicContact CB-CG2 4.43Å; D833-K886 IonicContact OD1-NZ 2.68Å; D833-K886 PolarHBondContact OD1-NZ 3.37Å; D833-K886 VanDerWaalsContact OD2-CE 3.25Å; D833-K886 WeakPolarHBondContact OD2-CE 3.49Å; D833-K886 IonicContact OD2-NZ 2.89Å; D833-K886 PolarHBondContact OD2-NZ 3.3Å; D833-V911 HydrophobicContact CB-CG2 4.13Å; D833-V911 WeakPolarHBondContact OD2-CG2 3.27Å; D833-F935 WeakPolarHBondContact O-CD2 3.27Å; D833-F935 WeakPolarHBondContact O-CE2 3.35Å; D833-C936 PolarHBondContact N-O 3.28Å; D833-C936 VanDerWaalsContact N-O 3.11Å; D833-C936 PolarHBondContact O-N 2.86Å
834	Q	92.6	Very high	88.9	Confident	65 Å²	65	60.6 Å²	60.6	30%	0.304	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	150.7	176.2	50.5	-179.4	31.5	0	0	110.7	T836 N929 K934 F935	Q834-T836 HydrophobicContact CG-CG2 3.93Å; Q834-N929 PolarHBondContact OE1-ND2 2.83Å; Q834-K934 WeakPolarHBondContact CA-O 3.39Å; Q834-F935 HydrophobicContact CB-CD2 3.97Å
835	E	92.2	Very high	88.7	Confident	33 Å²	33	58.7 Å²	58.7	15%	0.154	29%	0.292	C	S	.	.			trans	-71.6	135.8	160.8	-69	175.4	179.1	0	0	108.4	E844 F846 N933 K934	E835-E844 WeakPolarHBondContact CB-O 2.85Å; E835-E844 WeakPolarHBondContact CG-O 3.5Å; E835-F846 HydrophobicContact CG-CD1 4.36Å; E835-F846 HydrophobicContact CG-CD2 3.69Å; E835-F846 HydrophobicContact CG-CE1 4.41Å; E835-F846 HydrophobicContact CG-CE2 3.76Å; E835-F846 HydrophobicContact CG-CG 4.01Å; E835-F846 HydrophobicContact CG-CZ 4.12Å; E835-F846 WeakPolarHBondContact OE1-CB 3.42Å; E835-F846 VanDerWaalsContact OE1-CD2 3.3Å; E835-F846 WeakPolarHBondContact OE1-CD2 3.44Å; E835-F846 WeakPolarHBondContact OE1-CG 3.33Å; E835-F846 PolarHBondContact OE1-N 3.13Å; E835-N933 WeakPolarHBondContact O-CB 3.48Å; E835-N933 PolarHBondContact O-ND2 2.91Å; E835-K934 HydrophobicContact CB-CB 4.46Å; E835-K934 HydrophobicContact CG-CB 4.22Å; E835-K934 PolarHBondContact N-O 3.37Å; E835-K934 WeakPolarHBondContact OE2-CB 3.26Å
836	T	87.6	Confident	88.7	Confident	21 Å²	21	59 Å²	59	13%	0.129	29%	0.293	C	S	.	.			trans	-128.9	142.5	174.1	55.8	0	0	0	0	109.5	Q834 H838 E844	Q834-T836 HydrophobicContact CG-CG2 3.93Å; T836-H838 PolarHBondContact OG1-CD2 3.36Å; T836-H838 PolarHBondContact OG1-NE2 3.37Å; T836-E844 WeakPolarHBondContact O-CB 3.44Å; T836-E844 WeakPolarHBondContact O-CG 3.3Å; T836-E844 PolarHBondContact O-N 3.04Å; T836-E844 WeakPolarHBondContact OG1-CG 3.23Å; T836-E844 PolarHBondContact OG1-OE2 3.05Å
837	R	82.2	Confident	88.7	Confident	173 Å²	173	59.9 Å²	59.9	65%	0.653	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	105.8	171.6	-71.2	-177.6	173.5	-175.9	-2.9	108.1	G839 E843	R837-G839 PolarHBondContact O-N 3.49Å; R837-E843 HydrophobicContact CG-CG 4.17Å; R837-E843 IonicContact CZ-OE1 3.11Å; R837-E843 IonicContact NE-OE1 2.82Å; R837-E843 PolarHBondContact NE-OE1 2.71Å; R837-E843 IonicContact NH2-OE1 3.15Å; R837-E843 PolarHBondContact NH2-OE1 2.87Å
838	H	76.5	Confident	88.6	Confident	114 Å²	114	63 Å²	63	53%	0.528	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	79.2	179.9	-75.5	-61.5	0	0	0	110	T836 L842	T836-H838 PolarHBondContact OG1-CD2 3.36Å; T836-H838 PolarHBondContact OG1-NE2 3.37Å; H838-L842 HydrophobicContact CB-CB 3.91Å; H838-L842 HydrophobicContact CB-CD1 4.26Å; H838-L842 PolarHBondContact N-O 2.68Å; H838-L842 WeakPolarHBondContact O-CB 3.35Å
839	G	74.4	Confident	88.5	Confident	62 Å²	62	62.1 Å²	62.1	64%	0.639	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-156.7	-173.8	0	0	0	0	0	111.7	R837	R837-G839 PolarHBondContact O-N 3.49Å
840	M	72.6	Confident	88.3	Confident	190 Å²	190	64 Å²	64	94%	0.936	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-36.6	-178.2	-66	-169.9	-169.4	0	0	112.9
841	D	74.2	Confident	87.9	Confident	123 Å²	123	67.6 Å²	67.6	66%	0.658	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-21.2	-166.7	-51	-40.9	0	0	0	114.9	E843 T889	D841-E843 PolarHBondContact O-N 2.78Å; D841-T889 PolarHBondContact O-OG1 3.16Å
842	L	82.1	Confident	87.5	Confident	62 Å²	62	73.5 Å²	73.5	33%	0.325	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	99.3	179.7	-58.2	170.8	0	0	0	109.5	H838 T889 P891	H838-L842 HydrophobicContact CB-CB 3.91Å; H838-L842 HydrophobicContact CB-CD1 4.26Å; H838-L842 PolarHBondContact N-O 2.68Å; H838-L842 WeakPolarHBondContact O-CB 3.35Å; L842-T889 WeakPolarHBondContact CD2-O 3.46Å; L842-P891 HydrophobicContact CD2-CG 4.31Å
843	E	87.9	Confident	87.2	Confident	67 Å²	67	70.2 Å²	70.2	31%	0.313	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.4	174.6	-172	167.1	-146.1	0	0	109.2	R837 D841 V845 T889	R837-E843 HydrophobicContact CG-CG 4.17Å; R837-E843 IonicContact CZ-OE1 3.11Å; R837-E843 IonicContact NE-OE1 2.82Å; R837-E843 PolarHBondContact NE-OE1 2.71Å; R837-E843 IonicContact NH2-OE1 3.15Å; R837-E843 PolarHBondContact NH2-OE1 2.87Å; D841-E843 PolarHBondContact O-N 2.78Å; E843-V845 HydrophobicContact CG-CG2 3.85Å; E843-T889 PolarHBondContact N-OG1 3.48Å; E843-T889 PolarHBondContact O-N 2.96Å; E843-T889 VanDerWaalsContact O-N 3.09Å; E843-T889 PolarHBondContact O-OG1 3.07Å
844	E	92.6	Very high	86.9	Confident	17 Å²	17	69.3 Å²	69.3	8%	0.079	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	130.9	165.7	-51.5	-166	143.5	0	0	109.4	E835 T836 K886 T887 I888	E835-E844 WeakPolarHBondContact CB-O 2.85Å; E835-E844 WeakPolarHBondContact CG-O 3.5Å; T836-E844 WeakPolarHBondContact O-CB 3.44Å; T836-E844 WeakPolarHBondContact O-CG 3.3Å; T836-E844 PolarHBondContact O-N 3.04Å; T836-E844 WeakPolarHBondContact OG1-CG 3.23Å; T836-E844 PolarHBondContact OG1-OE2 3.05Å; E844-K886 HydrophobicContact CB-CD 4.21Å; E844-K886 HydrophobicContact CB-CG 4.41Å; E844-K886 IonicContact OE1-NZ 2.64Å; E844-K886 IonicContact OE2-NZ 3.31Å; E844-K886 PolarHBondContact OE2-NZ 3.21Å; E844-T887 CarbonylContact C-O 3.59Å; E844-T887 VanDerWaalsContact CA-O 3.28Å; E844-T887 WeakPolarHBondContact CA-O 3.5Å; E844-I888 HydrophobicContact CG-CG1 4.06Å
845	V	93.3	Very high	86.8	Confident	37 Å²	37	70.8 Å²	70.8	22%	0.224	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	138.2	-177.9	-177.5	0	0	0	0	109.9	E843 E847 K886 T887	E843-V845 HydrophobicContact CG-CG2 3.85Å; V845-E847 HydrophobicContact CG1-CB 4.47Å; V845-E847 HydrophobicContact CG1-CG 4.47Å; V845-E847 PolarHBondContact O-N 3.21Å; V845-K886 WeakPolarHBondContact O-CA 3.41Å; V845-T887 PolarHBondContact N-O 3.15Å; V845-T887 PolarHBondContact O-N 3.01Å
846	F	95.4	Very high	86.6	Confident	8 Å²	8	71.9 Å²	71.9	4%	0.035	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	111.7	165.5	-61.4	-43.4	0	0	0	110.1	D833 E835 D868 I884 G885 K886 K934 C936	D833-F846 HydrophobicContact CB-CE1 4.19Å; D833-F846 HydrophobicContact CB-CZ 4.2Å; E835-F846 HydrophobicContact CG-CD1 4.36Å; E835-F846 HydrophobicContact CG-CD2 3.69Å; E835-F846 HydrophobicContact CG-CE1 4.41Å; E835-F846 HydrophobicContact CG-CE2 3.76Å; E835-F846 HydrophobicContact CG-CG 4.01Å; E835-F846 HydrophobicContact CG-CZ 4.12Å; E835-F846 WeakPolarHBondContact OE1-CB 3.42Å; E835-F846 VanDerWaalsContact OE1-CD2 3.3Å; E835-F846 WeakPolarHBondContact OE1-CD2 3.44Å; E835-F846 WeakPolarHBondContact OE1-CG 3.33Å; E835-F846 PolarHBondContact OE1-N 3.13Å; F846-D868 CarbonylContact C-O 3.39Å; F846-I884 HydrophobicContact CD1-CG2 3.71Å; F846-I884 HydrophobicContact CE1-CG2 3.61Å; F846-I884 HydrophobicContact CZ-CG2 4.49Å; F846-G885 WeakPolarHBondContact CA-O 3.37Å; F846-K886 HydrophobicContact CD1-CB 4.15Å; F846-K886 HydrophobicContact CD1-CD 4.38Å; F846-K886 HydrophobicContact CD1-CG 4.23Å; F846-K886 HydrophobicContact CE1-CB 4.34Å; F846-K886 HydrophobicContact CE1-CD 3.94Å; F846-K886 HydrophobicContact CE1-CG 4.28Å; F846-K934 HydrophobicContact CD2-CD 3.97Å; F846-K934 HydrophobicContact CD2-CG 4.14Å; F846-K934 HydrophobicContact CE2-CB 4.45Å; F846-K934 HydrophobicContact CE2-CG 4.28Å; F846-C936 HydrophobicContact CE2-CB 4.33Å
847	E	93.7	Very high	86.7	Confident	46 Å²	46	73.1 Å²	73.1	22%	0.215	39%	0.387	C	S	.	.	S	Bend	trans	-158.2	164.3	177	61.1	174.3	-167.2	0	0	109.1	V845 P849 G869 G885 T887 K906	V845-E847 HydrophobicContact CG1-CB 4.47Å; V845-E847 HydrophobicContact CG1-CG 4.47Å; V845-E847 PolarHBondContact O-N 3.21Å; E847-P849 WeakPolarHBondContact O-CD 3.4Å; E847-G869 VanDerWaalsContact C-CA 3.5Å; E847-G885 PolarHBondContact N-O 3.13Å; E847-G885 CarbonylContact O-C 3.35Å; E847-G885 WeakPolarHBondContact O-CA 3.49Å; E847-T887 VanDerWaalsContact CD-OG1 3.23Å; E847-T887 HydrophobicContact CG-CG2 3.85Å; E847-T887 WeakPolarHBondContact CG-OG1 3.38Å; E847-T887 WeakPolarHBondContact OE1-CB 3.34Å; E847-T887 WeakPolarHBondContact OE1-CG2 2.95Å; E847-T887 PolarHBondContact OE1-OG1 3.32Å; E847-K906 WeakPolarHBondContact OE1-CD 3.12Å; E847-K906 WeakPolarHBondContact OE1-CE 3.44Å; E847-K906 IonicContact OE1-NZ 2.94Å; E847-K906 PolarHBondContact OE1-NZ 3.44Å; E847-K906 IonicContact OE2-NZ 3.01Å; E847-K906 PolarHBondContact OE2-NZ 2.71Å
848	K	94.4	Very high	86.8	Confident	77 Å²	77	72.5 Å²	72.5	34%	0.335	39%	0.385	S	S	.	.			trans	-71.7	114.5	174.2	-169	166.6	-173	158.2	0	110.9	N850 L865	K848-N850 PolarHBondContact O-N 3.29Å; K848-L865 PolarHBondContact NZ-O 3.27Å
849	P	92.7	Very high	87.3	Confident	6 Å²	6	76.8 Å²	76.8	4%	0.039	41%	0.405	C	S	.	.			trans	-65.8	131.1	179.8	-20.1	34.2	0	0	0	111.2	E847 C854 M857 Y862 T887	E847-P849 WeakPolarHBondContact O-CD 3.4Å; P849-C854 HydrophobicContact CB-CB 4.41Å; P849-M857 HydrophobicContact CB-CE 4.07Å; P849-M857 HydrophobicContact CB-CG 4.49Å; P849-M857 HydrophobicContact CB-SD 4.24Å; P849-Y862 HydrophobicContact CB-CD1 4.27Å; P849-Y862 HydrophobicContact CB-CE1 4.25Å; P849-Y862 HydrophobicContact CG-CD1 3.94Å; P849-Y862 HydrophobicContact CG-CE1 3.95Å; P849-T887 HydrophobicContact CB-CG2 4.06Å; P849-T887 HydrophobicContact CG-CG2 4Å
850	N	90.3	Very high	87.9	Confident	62 Å²	62	74.9 Å²	74.9	33%	0.332	38%	0.383	S	S	.	.			trans	-105.7	127.6	178.9	-179.5	-12.5	0	0	0	110.6	K848 Q852 N853 C854 M857	K848-N850 PolarHBondContact O-N 3.29Å; N850-Q852 PolarHBondContact O-N 2.9Å; N850-Q852 WeakPolarHBondContact OD1-CB 3.35Å; N850-Q852 PolarHBondContact OD1-N 2.86Å; N850-N853 WeakPolarHBondContact CB-OD1 3.5Å; N850-N853 PolarHBondContact O-N 3.36Å; N850-N853 VanDerWaalsContact O-N 3.09Å; N850-N853 PolarHBondContact O-OD1 3.05Å; N850-C854 WeakPolarHBondContact O-CB 3.34Å; N850-C854 PolarHBondContact O-N 3.27Å; N850-M857 VanDerWaalsContact C-SD 3.59Å
851	P	87.3	Confident	88.8	Confident	88 Å²	88	69.4 Å²	69.4	57%	0.571	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-21.7	177.3	-26.7	33.8	0	0	0	115.3	M857	P851-M857 WeakPolarHBondContact CA-SD 3.32Å; P851-M857 HydrophobicContact CB-SD 4.09Å; P851-M857 HydrophobicContact CG-CE 3.98Å; P851-M857 HydrophobicContact CG-SD 3.77Å
852	Q	86.9	Confident	89.7	Confident	149 Å²	149	64.3 Å²	64.3	70%	0.696	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-32.2	179.8	-64.7	178.3	-4.1	0	0	113.2	N850	N850-Q852 PolarHBondContact O-N 2.9Å; N850-Q852 WeakPolarHBondContact OD1-CB 3.35Å; N850-Q852 PolarHBondContact OD1-N 2.86Å
853	N	87.8	Confident	90.2	Very high	51 Å²	51	67.9 Å²	67.9	27%	0.273	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-14.5	-172.3	68.8	2.9	0	0	0	114.2	N850 Y904 T905 K906	N850-N853 WeakPolarHBondContact CB-OD1 3.5Å; N850-N853 PolarHBondContact O-N 3.36Å; N850-N853 VanDerWaalsContact O-N 3.09Å; N850-N853 PolarHBondContact O-OD1 3.05Å; N853-Y904 CarbonylContact O-C 3.56Å; N853-Y904 WeakPolarHBondContact O-CA 3.19Å; N853-T905 PolarHBondContact O-N 3.39Å; N853-K906 PolarHBondContact O-N 3.32Å; N853-K906 VanDerWaalsContact O-N 3.16Å
854	C	89	Confident	90.5	Very high	4 Å²	4	67.7 Å²	67.7	3%	0.027	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.7	-178.2	-70.3	0	0	0	0	112.3	P849 N850 M857 Y904 K906	P849-C854 HydrophobicContact CB-CB 4.41Å; N850-C854 WeakPolarHBondContact O-CB 3.34Å; N850-C854 PolarHBondContact O-N 3.27Å; C854-M857 HydrophobicContact CB-CG 4.18Å; C854-M857 HydrophobicContact CB-SD 4.22Å; C854-Y904 VanDerWaalsContact C-CD1 3.48Å; C854-Y904 WeakPolarHBondContact O-CD1 3.32Å; C854-K906 CarbonylContact C-O 3.54Å; C854-K906 WeakPolarHBondContact CA-O 3.32Å
855	Q	89.9	Confident	90.7	Very high	97 Å²	97	67 Å²	67	45%	0.453	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	143.5	171.1	-169.3	-177.2	21.9	0	0	110.8	Y904 K906 R907 D908	Q855-Y904 HydrophobicContact CB-CD1 4.33Å; Q855-Y904 HydrophobicContact CB-CD2 4.42Å; Q855-Y904 HydrophobicContact CB-CG 3.99Å; Q855-K906 PolarHBondContact N-O 3.09Å; Q855-R907 CarbonylContact O-C 3.57Å; Q855-R907 WeakPolarHBondContact O-CA 3.2Å; Q855-D908 PolarHBondContact O-N 3.4Å
856	G	87.2	Confident	90.7	Very high	55 Å²	55	69.1 Å²	69.1	57%	0.567	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	11.2	167.5	0	0	0	0	0	115.7	R858	G856-R858 PolarHBondContact O-N 2.84Å
857	M	89.8	Confident	90.5	Very high	48 Å²	48	75.7 Å²	75.7	24%	0.236	39%	0.388	C	S	.	.			trans	-55.5	136	172.7	-67.5	-174.2	71.3	0	0	111.1	P849 N850 P851 C854 Y862 D908	P849-M857 HydrophobicContact CB-CE 4.07Å; P849-M857 HydrophobicContact CB-CG 4.49Å; P849-M857 HydrophobicContact CB-SD 4.24Å; N850-M857 VanDerWaalsContact C-SD 3.59Å; P851-M857 WeakPolarHBondContact CA-SD 3.32Å; P851-M857 HydrophobicContact CB-SD 4.09Å; P851-M857 HydrophobicContact CG-CE 3.98Å; P851-M857 HydrophobicContact CG-SD 3.77Å; C854-M857 HydrophobicContact CB-CG 4.18Å; C854-M857 HydrophobicContact CB-SD 4.22Å; M857-Y862 HydrophobicContact CB-CE2 4.49Å; M857-Y862 HydrophobicContact CE-CD1 3.92Å; M857-Y862 HydrophobicContact CE-CD2 3.62Å; M857-Y862 HydrophobicContact CE-CE1 3.96Å; M857-Y862 HydrophobicContact CE-CE2 3.69Å; M857-Y862 HydrophobicContact CE-CG 3.76Å; M857-D908 HydrophobicContact CG-CB 4.17Å
858	R	85.1	Confident	90.5	Very high	160 Å²	160	76.7 Å²	76.7	60%	0.604	40%	0.395	S	S	*	.			trans	-84.3	165.4	178.5	-62.2	-170.4	-176	169.1	1.3	110.7	G856 A860 Y862 F912	G856-R858 PolarHBondContact O-N 2.84Å; R858-A860 HydrophobicContact CB-CB 4.28Å; R858-A860 PolarHBondContact O-N 3.07Å; R858-Y862 PolarHBondContact N-OH 3.16Å; R858-F912 HydrophobicContact CB-CE1 4.06Å; R858-F912 HydrophobicContact CB-CZ 4.05Å; R858-F912 VanDerWaalsContact CD-CZ 3.49Å; R858-F912 HydrophobicContact CG-CE1 4.27Å; R858-F912 HydrophobicContact CG-CE2 4.31Å; R858-F912 HydrophobicContact CG-CZ 3.78Å
859	H	85.8	Confident	90.5	Very high	204 Å²	204	73 Å²	73	94%	0.944	38%	0.379	S	S	*	.	S	Bend	trans	-74.2	59	167.7	-59.3	-67.7	0	0	0	110.8
860	A	87.4	Confident	90.6	Very high	21 Å²	21	72.9 Å²	72.9	17%	0.174	38%	0.378	C	S	.	.	S	Bend	trans	-120.8	164.2	-178.9	0	0	0	0	0	109.5	R858 Y862 D880 V882 F912	R858-A860 HydrophobicContact CB-CB 4.28Å; R858-A860 PolarHBondContact O-N 3.07Å; A860-Y862 HydrophobicContact CB-CE2 4Å; A860-Y862 VanDerWaalsContact O-CD2 3.27Å; A860-Y862 WeakPolarHBondContact O-CD2 3.45Å; A860-D880 VanDerWaalsContact CA-O 3.25Å; A860-D880 WeakPolarHBondContact CA-O 3.27Å; A860-D880 WeakPolarHBondContact CB-O 3.5Å; A860-V882 HydrophobicContact CB-CG2 4Å; A860-F912 HydrophobicContact CB-CD1 3.79Å; A860-F912 HydrophobicContact CB-CE1 3.59Å
861	I	91.6	Very high	90.9	Very high	76 Å²	76	70 Å²	70	39%	0.39	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-90.2	109.6	179.2	-55.6	174.7	0	0	0	108.9	D863 K864 D880 V882	I861-D863 HydrophobicContact CG2-CB 4.12Å; I861-K864 HydrophobicContact CG2-CG 4.35Å; I861-D880 PolarHBondContact N-O 2.94Å; I861-V882 PolarHBondContact O-N 3.42Å
862	Y	93.7	Very high	91.3	Very high	16 Å²	16	67.4 Å²	67.4	6%	0.063	35%	0.349	C	S	.	.			trans	-93.7	-8.7	175.9	-64.5	-102.7	0	0	0	112.5	P849 M857 R858 A860 K864 L865 V882 D908 F912	P849-Y862 HydrophobicContact CB-CD1 4.27Å; P849-Y862 HydrophobicContact CB-CE1 4.25Å; P849-Y862 HydrophobicContact CG-CD1 3.94Å; P849-Y862 HydrophobicContact CG-CE1 3.95Å; M857-Y862 HydrophobicContact CB-CE2 4.49Å; M857-Y862 HydrophobicContact CE-CD1 3.92Å; M857-Y862 HydrophobicContact CE-CD2 3.62Å; M857-Y862 HydrophobicContact CE-CE1 3.96Å; M857-Y862 HydrophobicContact CE-CE2 3.69Å; M857-Y862 HydrophobicContact CE-CG 3.76Å; R858-Y862 PolarHBondContact N-OH 3.16Å; A860-Y862 HydrophobicContact CB-CE2 4Å; A860-Y862 VanDerWaalsContact O-CD2 3.27Å; A860-Y862 WeakPolarHBondContact O-CD2 3.45Å; Y862-K864 PolarHBondContact O-N 3.04Å; Y862-L865 HydrophobicContact CD1-CD1 4.28Å; Y862-L865 WeakPolarHBondContact O-CB 3.14Å; Y862-L865 PolarHBondContact O-N 3.36Å; Y862-L865 VanDerWaalsContact O-N 3.15Å; Y862-V882 HydrophobicContact CD1-CB 4.29Å; Y862-V882 HydrophobicContact CD1-CG1 4.35Å; Y862-V882 HydrophobicContact CD1-CG2 3.64Å; Y862-V882 HydrophobicContact CD2-CG2 4.12Å; Y862-V882 HydrophobicContact CE1-CG1 4.4Å; Y862-V882 HydrophobicContact CE1-CG2 3.68Å; Y862-V882 HydrophobicContact CE2-CG2 4.11Å; Y862-V882 HydrophobicContact CG-CG2 3.87Å; Y862-D908 PolarHBondContact OH-OD2 3.18Å; Y862-F912 WeakPolarHBondContact OH-CZ 3.34Å
863	D	92.7	Very high	91.8	Very high	136 Å²	136	64 Å²	64	73%	0.727	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.1	-174.9	-62.1	-23.3	0	0	0	113.2	I861 L865	I861-D863 HydrophobicContact CG2-CB 4.12Å; D863-L865 PolarHBondContact O-N 2.61Å
864	K	94.5	Very high	92.2	Very high	63 Å²	63	64.2 Å²	64.2	27%	0.274	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-7.2	179.3	-62.2	-176.3	-178.2	179.3	0	114.1	I861 Y862 I871 T875 R876 D881	I861-K864 HydrophobicContact CG2-CG 4.35Å; Y862-K864 PolarHBondContact O-N 3.04Å; K864-I871 HydrophobicContact CB-CD1 4.13Å; K864-T875 HydrophobicContact CD-CG2 4.34Å; K864-R876 PolarHBondContact NZ-O 3.16Å; K864-D881 HydrophobicContact CD-CB 4.34Å; K864-D881 WeakPolarHBondContact CD-OD1 3.48Å; K864-D881 WeakPolarHBondContact CE-OD1 3.31Å; K864-D881 IonicContact NZ-OD1 2.71Å; K864-D881 PolarHBondContact NZ-OD1 3.44Å; K864-D881 IonicContact NZ-OD2 3.83Å; K864-D881 PolarHBondContact NZ-OD2 3.33Å
865	L	95.1	Very high	92.5	Very high	2 Å²	2	66.1 Å²	66.1	1%	0.01	37%	0.365	C	S	.	.	S	Bend	trans	-83	137.4	174.7	-59.5	176.9	0	0	0	110	K848 Y862 D863 I871 V882	K848-L865 PolarHBondContact NZ-O 3.27Å; Y862-L865 HydrophobicContact CD1-CD1 4.28Å; Y862-L865 WeakPolarHBondContact O-CB 3.14Å; Y862-L865 PolarHBondContact O-N 3.36Å; Y862-L865 VanDerWaalsContact O-N 3.15Å; D863-L865 PolarHBondContact O-N 2.61Å; L865-I871 HydrophobicContact CD2-CB 4.46Å; L865-V882 HydrophobicContact CD1-CB 4.15Å; L865-V882 HydrophobicContact CD1-CG1 3.85Å; L865-V882 HydrophobicContact CD2-CB 4.4Å; L865-V882 HydrophobicContact CD2-CG1 4.28Å; L865-V882 HydrophobicContact CG-CB 4.37Å; L865-V882 HydrophobicContact CG-CG1 4.43Å
866	D	94.3	Very high	92.9	Very high	83 Å²	83	70.5 Å²	70.5	44%	0.444	38%	0.378	S	S	.	.			trans	-72.5	174.2	166.1	-65	-25.2	0	0	0	110	D868 G869 L870	D866-D868 PolarHBondContact O-N 2.63Å; D866-G869 PolarHBondContact O-N 2.96Å; D866-L870 PolarHBondContact N-O 3.25Å
867	D	91.9	Very high	93.2	Very high	145 Å²	145	68 Å²	68	78%	0.775	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.4	-174.8	-65.6	-29.7	0	0	0	113	G869	D867-G869 PolarHBondContact O-N 2.76Å
868	D	93.2	Very high	93.4	Very high	67 Å²	67	68.1 Å²	68.1	36%	0.358	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	0.3	174.1	73.8	-18.3	0	0	0	113.5	F846 D866 L870	F846-D868 CarbonylContact C-O 3.39Å; D866-D868 PolarHBondContact O-N 2.63Å; D868-L870 VanDerWaalsContact C-N 3.29Å; D868-L870 PolarHBondContact O-N 3.37Å; D868-L870 WeakPolarHBondContact OD1-CB 3.46Å; D868-L870 PolarHBondContact OD1-N 3.42Å
869	G	93.7	Very high	93.5	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	76.4	9.9	-176.8	0	0	0	0	0	113.7	E847 D866 D867 I884 G885	E847-G869 VanDerWaalsContact C-CA 3.5Å; D866-G869 PolarHBondContact O-N 2.96Å; D867-G869 PolarHBondContact O-N 2.76Å; G869-I884 CarbonylContact O-C 3.59Å; G869-G885 WeakPolarHBondContact O-CA 3.39Å; G869-G885 PolarHBondContact O-N 3.03Å
870	L	96.2	Very high	93.5	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-109.3	164.1	177.8	-56.1	179.8	0	0	0	110.7	D866 D868 I884 V924 V926 C936	D866-L870 PolarHBondContact N-O 3.25Å; D868-L870 VanDerWaalsContact C-N 3.29Å; D868-L870 PolarHBondContact O-N 3.37Å; D868-L870 WeakPolarHBondContact OD1-CB 3.46Å; D868-L870 PolarHBondContact OD1-N 3.42Å; L870-I884 HydrophobicContact CD2-CB 4.47Å; L870-I884 HydrophobicContact CD2-CG1 4.27Å; L870-I884 HydrophobicContact CD2-CG2 3.95Å; L870-V924 HydrophobicContact CD1-CG1 4.41Å; L870-V926 HydrophobicContact CD1-CG2 3.38Å; L870-C936 HydrophobicContact CD1-CB 4.39Å; L870-C936 HydrophobicContact CD2-CB 4.28Å
871	I	96.3	Very high	93.8	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-100.9	135.3	178.2	-170.6	162	0	0	0	110.9	K864 L865 T875 V877 L883 V921 V924 V938	K864-I871 HydrophobicContact CB-CD1 4.13Å; L865-I871 HydrophobicContact CD2-CB 4.46Å; I871-T875 HydrophobicContact CD1-CG2 3.83Å; I871-T875 HydrophobicContact CG1-CG2 4.08Å; I871-V877 HydrophobicContact CD1-CG1 3.28Å; I871-L883 HydrophobicContact CD1-CD2 4.47Å; I871-L883 HydrophobicContact CG2-CD2 4.33Å; I871-L883 WeakPolarHBondContact CG2-O 3.32Å; I871-V921 HydrophobicContact CD1-CG2 3.91Å; I871-V921 HydrophobicContact CG1-CG2 4.05Å; I871-V921 HydrophobicContact CG2-CG1 4.23Å; I871-V921 HydrophobicContact CG2-CG2 3.77Å; I871-V924 WeakPolarHBondContact O-CG2 3.41Å; I871-V938 HydrophobicContact CG2-CG1 3.91Å
872	A	96.2	Very high	94	Very high	33 Å²	33	51.1 Å²	51.1	27%	0.273	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-70.4	142	177.7	0	0	0	0	0	112.9	T875	A872-T875 WeakPolarHBondContact O-CB 3.39Å; A872-T875 PolarHBondContact O-N 3.5Å; A872-T875 PolarHBondContact O-OG1 2.7Å
873	P	96.9	Very high	94.1	Very high	77 Å²	77	50.3 Å²	50.3	50%	0.5	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	144.4	168.1	-25.2	34.6	0	0	0	112.8	T875 V924	P873-T875 VanDerWaalsContact C-N 3.31Å; P873-V924 HydrophobicContact CG-CB 4.33Å; P873-V924 HydrophobicContact CG-CG2 4.22Å
874	G	95.8	Very high	94.3	Very high	56 Å²	56	43.9 Å²	43.9	58%	0.577	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.2	-14.2	-175.6	0	0	0	0	0	114.5	V921	G874-V921 PolarHBondContact N-O 2.91Å
875	T	96.1	Very high	94.3	Very high	44 Å²	44	40.9 Å²	40.9	27%	0.27	23%	0.234	S	C	.	.			trans	-71.2	135.5	179.7	-52.9	0	0	0	0	111.6	K864 I871 A872 P873 I920 V921	K864-T875 HydrophobicContact CD-CG2 4.34Å; I871-T875 HydrophobicContact CD1-CG2 3.83Å; I871-T875 HydrophobicContact CG1-CG2 4.08Å; A872-T875 WeakPolarHBondContact O-CB 3.39Å; A872-T875 PolarHBondContact O-N 3.5Å; A872-T875 PolarHBondContact O-OG1 2.7Å; P873-T875 VanDerWaalsContact C-N 3.31Å; T875-I920 WeakPolarHBondContact O-CA 3.31Å; T875-V921 PolarHBondContact O-N 3.41Å
876	R	96.5	Very high	94.3	Very high	189 Å²	189	41.6 Å²	41.6	71%	0.713	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	127.3	176.8	-169.2	174.6	-176.7	169.7	0.3	111	K864	K864-R876 PolarHBondContact NZ-O 3.16Å
877	V	95.4	Very high	94.3	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.2	-176.2	-67.7	0	0	0	0	112.1	I871 D881 L883 M913 Y918 G919 V921 V940	I871-V877 HydrophobicContact CD1-CG1 3.28Å; V877-D881 WeakPolarHBondContact CA-OD2 3.47Å; V877-D881 HydrophobicContact CB-CB 4.39Å; V877-D881 HydrophobicContact CG1-CB 4.44Å; V877-L883 HydrophobicContact CB-CD2 4.16Å; V877-L883 HydrophobicContact CG1-CD2 3.8Å; V877-L883 HydrophobicContact CG2-CD2 4.22Å; V877-M913 HydrophobicContact CB-SD 3.79Å; V877-M913 HydrophobicContact CG2-CE 4.1Å; V877-M913 HydrophobicContact CG2-SD 3.59Å; V877-M913 VanDerWaalsContact CG2-SD 3.59Å; V877-Y918 WeakPolarHBondContact O-CA 3.41Å; V877-G919 WeakPolarHBondContact CG2-O 3.47Å; V877-G919 PolarHBondContact N-O 2.89Å; V877-G919 PolarHBondContact O-N 3.13Å; V877-G919 VanDerWaalsContact O-O 3.11Å; V877-V921 HydrophobicContact CG1-CG2 3.94Å; V877-V921 HydrophobicContact CG2-CG2 4.25Å; V877-V940 HydrophobicContact CG2-CG1 3.78Å; V877-V940 HydrophobicContact CG2-CG2 4.34Å
878	S	93.3	Very high	94.3	Very high	51 Å²	51	31.5 Å²	31.5	36%	0.357	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	170.4	-176.7	66	0	0	0	0	109.6	D880 D881 M913	S878-D880 PolarHBondContact O-N 3.11Å; S878-D881 WeakPolarHBondContact CA-OD2 3.46Å; S878-D881 WeakPolarHBondContact CB-OD2 3.35Å; S878-D881 PolarHBondContact N-OD2 2.8Å; S878-D881 WeakPolarHBondContact O-CB 3.46Å; S878-D881 PolarHBondContact O-N 3.06Å; S878-D881 PolarHBondContact OG-OD2 2.99Å; S878-M913 VanDerWaalsContact C-SD 3.6Å; S878-M913 WeakPolarHBondContact O-CB 3.49Å
879	G	86.9	Confident	94.2	Very high	10 Å²	10	29.9 Å²	29.9	10%	0.103	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-23.5	-168.3	0	0	0	0	0	117.6	M913 R914 E917	G879-M913 VanDerWaalsContact O-O 3.04Å; G879-R914 WeakPolarHBondContact CA-O 3.49Å; G879-E917 PolarHBondContact N-O 3.44Å; G879-E917 VanDerWaalsContact N-O 3.16Å
880	D	85.6	Confident	93.7	Very high	93 Å²	93	32.2 Å²	32.2	50%	0.497	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	10.8	178.6	-64	-39.7	0	0	0	112.9	A860 I861 S878	A860-D880 VanDerWaalsContact CA-O 3.25Å; A860-D880 WeakPolarHBondContact CA-O 3.27Å; A860-D880 WeakPolarHBondContact CB-O 3.5Å; I861-D880 PolarHBondContact N-O 2.94Å; S878-D880 PolarHBondContact O-N 3.11Å
881	D	94.6	Very high	92.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-90	144.2	175.3	-63.7	-53.6	0	0	0	111.9	K864 V877 S878 M913	K864-D881 HydrophobicContact CD-CB 4.34Å; K864-D881 WeakPolarHBondContact CD-OD1 3.48Å; K864-D881 WeakPolarHBondContact CE-OD1 3.31Å; K864-D881 IonicContact NZ-OD1 2.71Å; K864-D881 PolarHBondContact NZ-OD1 3.44Å; K864-D881 IonicContact NZ-OD2 3.83Å; K864-D881 PolarHBondContact NZ-OD2 3.33Å; V877-D881 WeakPolarHBondContact CA-OD2 3.47Å; V877-D881 HydrophobicContact CB-CB 4.39Å; V877-D881 HydrophobicContact CG1-CB 4.44Å; S878-D881 WeakPolarHBondContact CA-OD2 3.46Å; S878-D881 WeakPolarHBondContact CB-OD2 3.35Å; S878-D881 PolarHBondContact N-OD2 2.8Å; S878-D881 WeakPolarHBondContact O-CB 3.46Å; S878-D881 PolarHBondContact O-N 3.06Å; S878-D881 PolarHBondContact OG-OD2 2.99Å; D881-M913 PolarHBondContact O-N 3.13Å
882	V	95.2	Very high	91.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	134.3	172.7	-169.4	0	0	0	0	109.7	A860 I861 Y862 L865 I884 F912	A860-V882 HydrophobicContact CB-CG2 4Å; I861-V882 PolarHBondContact O-N 3.42Å; Y862-V882 HydrophobicContact CD1-CB 4.29Å; Y862-V882 HydrophobicContact CD1-CG1 4.35Å; Y862-V882 HydrophobicContact CD1-CG2 3.64Å; Y862-V882 HydrophobicContact CD2-CG2 4.12Å; Y862-V882 HydrophobicContact CE1-CG1 4.4Å; Y862-V882 HydrophobicContact CE1-CG2 3.68Å; Y862-V882 HydrophobicContact CE2-CG2 4.11Å; Y862-V882 HydrophobicContact CG-CG2 3.87Å; L865-V882 HydrophobicContact CD1-CB 4.15Å; L865-V882 HydrophobicContact CD1-CG1 3.85Å; L865-V882 HydrophobicContact CD2-CB 4.4Å; L865-V882 HydrophobicContact CD2-CG1 4.28Å; L865-V882 HydrophobicContact CG-CB 4.37Å; L865-V882 HydrophobicContact CG-CG1 4.43Å; V882-I884 WeakPolarHBondContact CG1-O 3.42Å; V882-F912 HydrophobicContact CG2-CD1 3.7Å; V882-F912 HydrophobicContact CG2-CE1 3.53Å
883	L	95.2	Very high	89.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-36.2	176	-61.9	177.8	0	0	0	111.9	Y831 I871 V877 V911 M913 V940	Y831-L883 HydrophobicContact CD1-CD1 4.24Å; Y831-L883 HydrophobicContact CD2-CD1 3.42Å; Y831-L883 VanDerWaalsContact CD2-CD1 3.42Å; Y831-L883 HydrophobicContact CE1-CD1 4.38Å; Y831-L883 HydrophobicContact CE2-CD1 3.6Å; Y831-L883 HydrophobicContact CG-CD1 3.77Å; I871-L883 HydrophobicContact CD1-CD2 4.47Å; I871-L883 HydrophobicContact CG2-CD2 4.33Å; I871-L883 WeakPolarHBondContact CG2-O 3.32Å; V877-L883 HydrophobicContact CB-CD2 4.16Å; V877-L883 HydrophobicContact CG1-CD2 3.8Å; V877-L883 HydrophobicContact CG2-CD2 4.22Å; L883-V911 PolarHBondContact N-O 3.24Å; L883-M913 HydrophobicContact CD1-CB 4.25Å; L883-M913 HydrophobicContact CG-CB 4.33Å; L883-V940 HydrophobicContact CD1-CG2 4.19Å; L883-V940 HydrophobicContact CD2-CG2 4.33Å
884	I	96.5	Very high	88.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	112.7	-179.2	-56.3	165	0	0	0	108.3	D833 F846 G869 L870 V882 K886 S910 V911 V938	D833-I884 HydrophobicContact CB-CD1 3.81Å; D833-I884 HydrophobicContact CB-CG2 4.43Å; F846-I884 HydrophobicContact CD1-CG2 3.71Å; F846-I884 HydrophobicContact CE1-CG2 3.61Å; F846-I884 HydrophobicContact CZ-CG2 4.49Å; G869-I884 CarbonylContact O-C 3.59Å; L870-I884 HydrophobicContact CD2-CB 4.47Å; L870-I884 HydrophobicContact CD2-CG1 4.27Å; L870-I884 HydrophobicContact CD2-CG2 3.95Å; V882-I884 WeakPolarHBondContact CG1-O 3.42Å; I884-K886 PolarHBondContact O-N 3.09Å; I884-S910 CarbonylContact O-C 3.55Å; I884-S910 WeakPolarHBondContact O-CA 3.28Å; I884-S910 WeakPolarHBondContact O-CB 3.3Å; I884-S910 PolarHBondContact O-OG 2.89Å; I884-V911 HydrophobicContact CB-CB 4.09Å; I884-V911 HydrophobicContact CB-CG2 4.45Å; I884-V911 HydrophobicContact CD1-CB 4.26Å; I884-V911 HydrophobicContact CD1-CG2 4.39Å; I884-V911 HydrophobicContact CG1-CB 4.5Å; I884-V911 PolarHBondContact N-O 2.82Å; I884-V911 PolarHBondContact O-N 3.25Å; I884-V938 HydrophobicContact CD1-CG2 4.2Å; I884-V938 HydrophobicContact CG1-CG2 3.97Å
885	G	96.1	Very high	86.3	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.285	C	S	.	.			trans	-67.2	109.9	164.4	0	0	0	0	0	110.6	F846 E847 G869 S910	F846-G885 WeakPolarHBondContact CA-O 3.37Å; E847-G885 PolarHBondContact N-O 3.13Å; E847-G885 CarbonylContact O-C 3.35Å; E847-G885 WeakPolarHBondContact O-CA 3.49Å; G869-G885 WeakPolarHBondContact O-CA 3.39Å; G869-G885 PolarHBondContact O-N 3.03Å; G885-S910 WeakPolarHBondContact CA-OG 3.26Å
886	K	95.1	Very high	84.3	Confident	17 Å²	17	59.7 Å²	59.7	7%	0.074	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.3	176.5	-173.6	169.8	74.1	167.3	0	109.9	D833 E844 V845 F846 I884 A909 S910	D833-K886 IonicContact OD1-NZ 2.68Å; D833-K886 PolarHBondContact OD1-NZ 3.37Å; D833-K886 VanDerWaalsContact OD2-CE 3.25Å; D833-K886 WeakPolarHBondContact OD2-CE 3.49Å; D833-K886 IonicContact OD2-NZ 2.89Å; D833-K886 PolarHBondContact OD2-NZ 3.3Å; E844-K886 HydrophobicContact CB-CD 4.21Å; E844-K886 HydrophobicContact CB-CG 4.41Å; E844-K886 IonicContact OE1-NZ 2.64Å; E844-K886 IonicContact OE2-NZ 3.31Å; E844-K886 PolarHBondContact OE2-NZ 3.21Å; V845-K886 WeakPolarHBondContact O-CA 3.41Å; F846-K886 HydrophobicContact CD1-CB 4.15Å; F846-K886 HydrophobicContact CD1-CD 4.38Å; F846-K886 HydrophobicContact CD1-CG 4.23Å; F846-K886 HydrophobicContact CE1-CB 4.34Å; F846-K886 HydrophobicContact CE1-CD 3.94Å; F846-K886 HydrophobicContact CE1-CG 4.28Å; I884-K886 PolarHBondContact O-N 3.09Å; K886-A909 WeakPolarHBondContact CE-O 3.25Å; K886-A909 CarbonylContact O-C 3.58Å; K886-A909 WeakPolarHBondContact O-CA 3.48Å; K886-A909 PolarHBondContact O-N 2.7Å; K886-S910 PolarHBondContact N-OG 3.24Å; K886-S910 VanDerWaalsContact N-OG 3.09Å; K886-S910 PolarHBondContact O-N 3.15Å
887	T	94.4	Very high	82.1	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.3	177.8	64.4	0	0	0	0	110.3	E844 V845 E847 P849 R907	E844-T887 CarbonylContact C-O 3.59Å; E844-T887 VanDerWaalsContact CA-O 3.28Å; E844-T887 WeakPolarHBondContact CA-O 3.5Å; V845-T887 PolarHBondContact N-O 3.15Å; V845-T887 PolarHBondContact O-N 3.01Å; E847-T887 VanDerWaalsContact CD-OG1 3.23Å; E847-T887 HydrophobicContact CG-CG2 3.85Å; E847-T887 WeakPolarHBondContact CG-OG1 3.38Å; E847-T887 WeakPolarHBondContact OE1-CB 3.34Å; E847-T887 WeakPolarHBondContact OE1-CG2 2.95Å; E847-T887 PolarHBondContact OE1-OG1 3.32Å; P849-T887 HydrophobicContact CB-CG2 4.06Å; P849-T887 HydrophobicContact CG-CG2 4Å; T887-R907 CarbonylContact C-O 3.6Å; T887-R907 WeakPolarHBondContact CA-O 3.31Å
888	I	92.2	Very high	80	Confident	16 Å²	16	68.2 Å²	68.2	8%	0.082	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.4	176.4	-51	-178.8	0	0	0	107.3	E844 K906 R907 A909	E844-I888 HydrophobicContact CG-CG1 4.06Å; I888-K906 CarbonylContact O-C 3.59Å; I888-K906 VanDerWaalsContact O-CA 3.24Å; I888-K906 WeakPolarHBondContact O-CA 3.17Å; I888-R907 PolarHBondContact N-O 2.95Å; I888-R907 PolarHBondContact O-N 2.76Å; I888-A909 HydrophobicContact CD1-CB 3.56Å; I888-A909 HydrophobicContact CG1-CB 3.69Å
889	T	90.3	Very high	78	Confident	34 Å²	34	70.4 Å²	70.4	21%	0.209	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	134.3	172.2	53.9	0	0	0	0	110.3	D841 L842 E843	D841-T889 PolarHBondContact O-OG1 3.16Å; L842-T889 WeakPolarHBondContact CD2-O 3.46Å; E843-T889 PolarHBondContact N-OG1 3.48Å; E843-T889 PolarHBondContact O-N 2.96Å; E843-T889 VanDerWaalsContact O-N 3.09Å; E843-T889 PolarHBondContact O-OG1 3.07Å
890	L	83.9	Confident	76.5	Confident	49 Å²	49	72.7 Å²	72.7	26%	0.257	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-87.9	140.3	173.7	-68.8	170.3	0	0	0	109	T905 R907	L890-T905 PolarHBondContact N-O 2.92Å; L890-R907 HydrophobicContact CD2-CB 4.2Å; L890-R907 HydrophobicContact CG-CB 4.43Å
891	P	77.7	Confident	75.2	Confident	50 Å²	50	77.9 Å²	77.9	33%	0.325	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-68.2	142.3	179.9	28.8	-29.7	0	0	0	109.8	L842 N893 R902	L842-P891 HydrophobicContact CD2-CG 4.31Å; P891-N893 PolarHBondContact O-N 3.19Å; P891-R902 PolarHBondContact O-NH1 3.29Å
892	E	67.8	Low	73.7	Confident	184 Å²	184	82.2 Å²	82.2	86%	0.86	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-67.5	116.3	166	-64.2	-171.1	165.4	0	0	107.2	E894	E892-E894 PolarHBondContact O-N 2.83Å
893	N	62.9	Low	72.7	Confident	87 Å²	87	91 Å²	91	47%	0.465	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-78.7	120.5	175.1	-77.8	-16.7	0	0	0	107.4	P891 D895	P891-N893 PolarHBondContact O-N 3.19Å; N893-D895 PolarHBondContact O-N 2.87Å
894	E	58.3	Low	72.1	Confident	196 Å²	196	94.5 Å²	94.5	92%	0.916	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.5	171.6	-64.7	-173.8	155.7	0	0	112.7	E892 E896	E892-E894 PolarHBondContact O-N 2.83Å; E894-E896 PolarHBondContact O-N 3.27Å
895	D	58.1	Low	71.6	Confident	157 Å²	157	98.1 Å²	98.1	84%	0.84	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-6	-177.1	-72.3	-28.5	0	0	0	115.2	N893 M897	N893-D895 PolarHBondContact O-N 2.87Å; D895-M897 PolarHBondContact O-N 3.02Å
896	E	55	Low	71.4	Confident	118 Å²	118	100 Å²	100	55%	0.551	52%	0.517	S	S	*	.			trans	-94.7	86.5	178.2	-73.4	178.4	175.3	0	0	111.1	E894 E898 R902	E894-E896 PolarHBondContact O-N 3.27Å; E896-E898 PolarHBondContact O-N 3Å; E896-R902 IonicContact OE1-NH2 2.63Å; E896-R902 IonicContact OE2-CZ 3.06Å; E896-R902 IonicContact OE2-NE 2.7Å; E896-R902 PolarHBondContact OE2-NE 3.2Å; E896-R902 VanDerWaalsContact OE2-NE 3.12Å; E896-R902 IonicContact OE2-NH2 3.98Å; E896-R902 PolarHBondContact OE2-NH2 2.86Å
897	M	49.2	Very low	71.2	Confident	195 Å²	195	104.8 Å²	104.8	96%	0.961	54%	0.535	S	S	*	.			trans	-65.9	19.9	179.9	-102.9	-168.4	174.9	0	0	116.5	D895	D895-M897 PolarHBondContact O-N 3.02Å
898	E	51.7	Low	71.2	Confident	176 Å²	176	105.7 Å²	105.7	82%	0.822	54%	0.54	S	S	*	.	S	Bend	trans	-135.2	117.7	177.4	-72.4	-172.7	164	0	0	111.3	E896 G900	E896-E898 PolarHBondContact O-N 3Å; E898-G900 PolarHBondContact O-N 3.28Å
899	G	51.4	Low	71.2	Confident	96 Å²	96	106.4 Å²	106.4	99%	0.99	55%	0.548	S	S	*	.			trans	-68	51.2	-177.3	0	0	0	0	0	116
900	G	56.3	Low	71.4	Confident	59 Å²	59	105.3 Å²	105.3	61%	0.608	54%	0.542	S	S	*	.			trans	-78.2	124.8	167.1	0	0	0	0	0	110.7	E898 R902	E898-G900 PolarHBondContact O-N 3.28Å; G900-R902 PolarHBondContact O-N 3.11Å
901	Q	58.5	Low	71.9	Confident	201 Å²	201	104.6 Å²	104.6	94%	0.939	54%	0.54	S	S	*	.			trans	-52.2	112.8	168.9	-79.3	-178.7	-16.1	0	0	109.3	R903	Q901-R903 PolarHBondContact O-N 3.39Å
902	R	63.1	Low	72.6	Confident	91 Å²	91	103.7 Å²	103.7	34%	0.343	53%	0.53	S	S	.	.			trans	-60.7	123.1	174	-77.5	-177	171.1	-177.3	-2.7	108.4	P891 E896 G900 Y904	P891-R902 PolarHBondContact O-NH1 3.29Å; E896-R902 IonicContact OE1-NH2 2.63Å; E896-R902 IonicContact OE2-CZ 3.06Å; E896-R902 IonicContact OE2-NE 2.7Å; E896-R902 PolarHBondContact OE2-NE 3.2Å; E896-R902 VanDerWaalsContact OE2-NE 3.12Å; E896-R902 IonicContact OE2-NH2 3.98Å; E896-R902 PolarHBondContact OE2-NH2 2.86Å; G900-R902 PolarHBondContact O-N 3.11Å; R902-Y904 PolarHBondContact O-N 2.66Å
903	R	74	Confident	73.7	Confident	184 Å²	184	95.2 Å²	95.2	69%	0.694	49%	0.491	S	S	*	.	S	Bend	trans	-57.8	-34.4	176.2	-176.5	177.2	177.1	-179.3	-0.5	112	Q901	Q901-R903 PolarHBondContact O-N 3.39Å
904	Y	81.9	Confident	74.8	Confident	75 Å²	75	96.3 Å²	96.3	29%	0.294	49%	0.488	S	S	.	.			trans	-120.9	123.4	-179.1	-56.9	-70	0	0	0	110.3	N853 C854 Q855 R902	N853-Y904 CarbonylContact O-C 3.56Å; N853-Y904 WeakPolarHBondContact O-CA 3.19Å; C854-Y904 VanDerWaalsContact C-CD1 3.48Å; C854-Y904 WeakPolarHBondContact O-CD1 3.32Å; Q855-Y904 HydrophobicContact CB-CD1 4.33Å; Q855-Y904 HydrophobicContact CB-CD2 4.42Å; Q855-Y904 HydrophobicContact CB-CG 3.99Å; R902-Y904 PolarHBondContact O-N 2.66Å
905	T	86.5	Confident	76	Confident	75 Å²	75	95.2 Å²	95.2	46%	0.46	48%	0.476	S	S	.	.	S	Bend	trans	-102.2	-18.9	177.6	53.7	0	0	0	0	112.1	N853 L890	N853-T905 PolarHBondContact O-N 3.39Å; L890-T905 PolarHBondContact N-O 2.92Å
906	K	90.7	Very high	77.2	Confident	39 Å²	39	90.9 Å²	90.9	17%	0.17	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	164	-176.6	-58.4	-172.9	-176	-170.6	0	111.5	E847 N853 C854 Q855 I888	E847-K906 WeakPolarHBondContact OE1-CD 3.12Å; E847-K906 WeakPolarHBondContact OE1-CE 3.44Å; E847-K906 IonicContact OE1-NZ 2.94Å; E847-K906 PolarHBondContact OE1-NZ 3.44Å; E847-K906 IonicContact OE2-NZ 3.01Å; E847-K906 PolarHBondContact OE2-NZ 2.71Å; N853-K906 PolarHBondContact O-N 3.32Å; N853-K906 VanDerWaalsContact O-N 3.16Å; C854-K906 CarbonylContact C-O 3.54Å; C854-K906 WeakPolarHBondContact CA-O 3.32Å; Q855-K906 PolarHBondContact N-O 3.09Å; I888-K906 CarbonylContact O-C 3.59Å; I888-K906 VanDerWaalsContact O-CA 3.24Å; I888-K906 WeakPolarHBondContact O-CA 3.17Å
907	R	91.6	Very high	78.7	Confident	118 Å²	118	86.2 Å²	86.2	45%	0.445	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.7	172.9	-176.6	-179.8	67.8	-168.9	-2.2	110.5	Q855 T887 I888 L890	Q855-R907 CarbonylContact O-C 3.57Å; Q855-R907 WeakPolarHBondContact O-CA 3.2Å; T887-R907 CarbonylContact C-O 3.6Å; T887-R907 WeakPolarHBondContact CA-O 3.31Å; I888-R907 PolarHBondContact N-O 2.95Å; I888-R907 PolarHBondContact O-N 2.76Å; L890-R907 HydrophobicContact CD2-CB 4.2Å; L890-R907 HydrophobicContact CG-CB 4.43Å
908	D	93.4	Very high	80.8	Confident	20 Å²	20	82.5 Å²	82.5	11%	0.107	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	128.3	175	-178.1	19.1	0	0	0	111.6	Q855 M857 Y862 S910	Q855-D908 PolarHBondContact O-N 3.4Å; M857-D908 HydrophobicContact CG-CB 4.17Å; Y862-D908 PolarHBondContact OH-OD2 3.18Å; D908-S910 WeakPolarHBondContact OD1-CB 3.09Å; D908-S910 PolarHBondContact OD1-N 2.89Å; D908-S910 PolarHBondContact OD1-OG 2.93Å; D908-S910 VanDerWaalsContact OD1-OG 3.1Å
909	A	92.9	Very high	82.9	Confident	31 Å²	31	74.5 Å²	74.5	26%	0.256	38%	0.377	S	S	.	.			trans	-131.6	24.3	174.5	0	0	0	0	0	112	K886 I888	K886-A909 WeakPolarHBondContact CE-O 3.25Å; K886-A909 CarbonylContact O-C 3.58Å; K886-A909 WeakPolarHBondContact O-CA 3.48Å; K886-A909 PolarHBondContact O-N 2.7Å; I888-A909 HydrophobicContact CD1-CB 3.56Å; I888-A909 HydrophobicContact CG1-CB 3.69Å
910	S	94.7	Very high	85.1	Confident	11 Å²	11	72.4 Å²	72.4	8%	0.077	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-54.4	153.1	-179.1	-88	0	0	0	0	115.4	I884 G885 K886 D908 F912	I884-S910 CarbonylContact O-C 3.55Å; I884-S910 WeakPolarHBondContact O-CA 3.28Å; I884-S910 WeakPolarHBondContact O-CB 3.3Å; I884-S910 PolarHBondContact O-OG 2.89Å; G885-S910 WeakPolarHBondContact CA-OG 3.26Å; K886-S910 PolarHBondContact N-OG 3.24Å; K886-S910 VanDerWaalsContact N-OG 3.09Å; K886-S910 PolarHBondContact O-N 3.15Å; D908-S910 WeakPolarHBondContact OD1-CB 3.09Å; D908-S910 PolarHBondContact OD1-N 2.89Å; D908-S910 PolarHBondContact OD1-OG 2.93Å; D908-S910 VanDerWaalsContact OD1-OG 3.1Å; S910-F912 WeakPolarHBondContact O-CD2 3.5Å; S910-F912 WeakPolarHBondContact O-CE2 3.36Å
911	V	93.6	Very high	87	Confident	34 Å²	34	69.7 Å²	69.7	21%	0.206	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	122.1	172	-176.8	0	0	0	0	109.9	Y831 D833 L883 I884	Y831-V911 HydrophobicContact CD1-CG1 4.1Å; D833-V911 HydrophobicContact CB-CG2 4.13Å; D833-V911 WeakPolarHBondContact OD2-CG2 3.27Å; L883-V911 PolarHBondContact N-O 3.24Å; I884-V911 HydrophobicContact CB-CB 4.09Å; I884-V911 HydrophobicContact CB-CG2 4.45Å; I884-V911 HydrophobicContact CD1-CB 4.26Å; I884-V911 HydrophobicContact CD1-CG2 4.39Å; I884-V911 HydrophobicContact CG1-CB 4.5Å; I884-V911 PolarHBondContact N-O 2.82Å; I884-V911 PolarHBondContact O-N 3.25Å
912	F	92.6	Very high	88.8	Confident	30 Å²	30	62 Å²	62	13%	0.132	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	153.6	-179.2	-54.5	-93	0	0	0	110.7	R858 A860 Y862 V882 S910	R858-F912 HydrophobicContact CB-CE1 4.06Å; R858-F912 HydrophobicContact CB-CZ 4.05Å; R858-F912 VanDerWaalsContact CD-CZ 3.49Å; R858-F912 HydrophobicContact CG-CE1 4.27Å; R858-F912 HydrophobicContact CG-CE2 4.31Å; R858-F912 HydrophobicContact CG-CZ 3.78Å; A860-F912 HydrophobicContact CB-CD1 3.79Å; A860-F912 HydrophobicContact CB-CE1 3.59Å; Y862-F912 WeakPolarHBondContact OH-CZ 3.34Å; V882-F912 HydrophobicContact CG2-CD1 3.7Å; V882-F912 HydrophobicContact CG2-CE1 3.53Å; S910-F912 WeakPolarHBondContact O-CD2 3.5Å; S910-F912 WeakPolarHBondContact O-CE2 3.36Å
913	M	90.8	Very high	90.4	Very high	7 Å²	7	61.3 Å²	61.3	3%	0.034	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-62.2	153	164.4	-166.9	165.7	-166.7	0	0	110.2	V877 S878 G879 D881 L883 E917 Y918 V940	V877-M913 HydrophobicContact CB-SD 3.79Å; V877-M913 HydrophobicContact CG2-CE 4.1Å; V877-M913 HydrophobicContact CG2-SD 3.59Å; V877-M913 VanDerWaalsContact CG2-SD 3.59Å; S878-M913 VanDerWaalsContact C-SD 3.6Å; S878-M913 WeakPolarHBondContact O-CB 3.49Å; G879-M913 VanDerWaalsContact O-O 3.04Å; D881-M913 PolarHBondContact O-N 3.13Å; L883-M913 HydrophobicContact CD1-CB 4.25Å; L883-M913 HydrophobicContact CG-CB 4.33Å; M913-E917 HydrophobicContact CE-CB 3.73Å; M913-Y918 VanDerWaalsContact CE-C 3.49Å; M913-Y918 VanDerWaalsContact CE-CA 3.43Å; M913-V940 HydrophobicContact CE-CG1 3.88Å
914	R	87	Confident	91.4	Very high	109 Å²	109	54.5 Å²	54.5	41%	0.411	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-71	134.2	172.5	-69.9	175.9	176.6	-163.3	0	109.7	Y831 G879 S916 E917	Y831-R914 PolarHBondContact OH-N 3.14Å; G879-R914 WeakPolarHBondContact CA-O 3.49Å; R914-S916 PolarHBondContact O-N 2.94Å; R914-E917 HydrophobicContact CB-CB 4.33Å; R914-E917 HydrophobicContact CB-CG 4.05Å; R914-E917 WeakPolarHBondContact CD-OE1 3.31Å; R914-E917 PolarHBondContact O-N 2.99Å
915	R	82.7	Confident	92	Very high	173 Å²	173	52.8 Å²	52.8	65%	0.653	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-38.8	-177.3	-72.5	-173.2	177.5	169.3	7.9	115.6	E917 D1098	R915-E917 VanDerWaalsContact C-N 3.28Å; R915-E917 PolarHBondContact O-N 3.38Å; R915-D1098 IonicContact CZ-OD2 3.69Å; R915-D1098 IonicContact NE-OD2 3.12Å; R915-D1098 IonicContact NH1-OD2 3.83Å; R915-D1098 PolarHBondContact NH1-OD2 2.84Å
916	S	83.6	Confident	92.4	Very high	67 Å²	67	52.6 Å²	52.6	47%	0.469	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	2.3	-178	66.7	0	0	0	0	114.3	R914 R1095	R914-S916 PolarHBondContact O-N 2.94Å; S916-R1095 PolarHBondContact OG-NH2 3Å
917	E	87.4	Confident	92.5	Very high	20 Å²	20	52 Å²	52	9%	0.093	25%	0.253	C	S	.	.			trans	-114.2	151.1	-175.1	-61.5	-178.3	-177.5	0	0	110.2	R829 Y831 G879 M913 R914 R915	R829-E917 WeakPolarHBondContact CD-OE2 3.14Å; R829-E917 IonicContact CZ-OE1 3.38Å; R829-E917 IonicContact CZ-OE2 3.75Å; R829-E917 IonicContact NE-OE1 3.17Å; R829-E917 PolarHBondContact NE-OE1 2.88Å; R829-E917 IonicContact NE-OE2 3.76Å; R829-E917 PolarHBondContact NE-OE2 2.97Å; R829-E917 IonicContact NH2-OE1 2.76Å; R829-E917 PolarHBondContact NH2-OE1 3.11Å; Y831-E917 PolarHBondContact OH-OE2 2.95Å; Y831-E917 VanDerWaalsContact OH-OE2 3.13Å; G879-E917 PolarHBondContact N-O 3.44Å; G879-E917 VanDerWaalsContact N-O 3.16Å; M913-E917 HydrophobicContact CE-CB 3.73Å; R914-E917 HydrophobicContact CB-CB 4.33Å; R914-E917 HydrophobicContact CB-CG 4.05Å; R914-E917 WeakPolarHBondContact CD-OE1 3.31Å; R914-E917 PolarHBondContact O-N 2.99Å; R915-E917 VanDerWaalsContact C-N 3.28Å; R915-E917 PolarHBondContact O-N 3.38Å
918	Y	93.3	Very high	92.5	Very high	116 Å²	116	53.5 Å²	53.5	46%	0.455	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	157	173.4	62.6	-89.2	0	0	0	107.8	V877 M913 T942	V877-Y918 WeakPolarHBondContact O-CA 3.41Å; M913-Y918 VanDerWaalsContact CE-C 3.49Å; M913-Y918 VanDerWaalsContact CE-CA 3.43Å; Y918-T942 HydrophobicContact CD2-CG2 4.3Å; Y918-T942 HydrophobicContact CE2-CG2 3.93Å; Y918-T942 VanDerWaalsContact O-CG2 3.23Å; Y918-T942 WeakPolarHBondContact O-CG2 3.29Å; Y918-T942 PolarHBondContact O-OG1 2.86Å
919	G	94.6	Very high	92.2	Very high	8 Å²	8	53.1 Å²	53.1	8%	0.082	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.7	-166.3	-178.2	0	0	0	0	0	112.9	V877 R941	V877-G919 WeakPolarHBondContact CG2-O 3.47Å; V877-G919 PolarHBondContact N-O 2.89Å; V877-G919 PolarHBondContact O-N 3.13Å; V877-G919 VanDerWaalsContact O-O 3.11Å; G919-R941 CarbonylContact C-O 3.6Å; G919-R941 VanDerWaalsContact CA-O 3.25Å; G919-R941 WeakPolarHBondContact CA-O 3.46Å
920	I	97.2	Very high	91.7	Very high	53 Å²	53	56.5 Å²	56.5	27%	0.272	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.8	174.9	-62.9	170.7	0	0	0	106.9	T875 D922 V940 R941	T875-I920 WeakPolarHBondContact O-CA 3.31Å; I920-D922 PolarHBondContact O-N 3.13Å; I920-V940 WeakPolarHBondContact O-CA 3.47Å; I920-R941 HydrophobicContact CB-CG 4.37Å; I920-R941 PolarHBondContact N-O 2.95Å; I920-R941 PolarHBondContact O-N 2.96Å
921	V	97.1	Very high	91.2	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	121.8	172.3	-177.4	0	0	0	0	107.9	I871 G874 T875 V877 V924 V938	I871-V921 HydrophobicContact CD1-CG2 3.91Å; I871-V921 HydrophobicContact CG1-CG2 4.05Å; I871-V921 HydrophobicContact CG2-CG1 4.23Å; I871-V921 HydrophobicContact CG2-CG2 3.77Å; G874-V921 PolarHBondContact N-O 2.91Å; T875-V921 PolarHBondContact O-N 3.41Å; V877-V921 HydrophobicContact CG1-CG2 3.94Å; V877-V921 HydrophobicContact CG2-CG2 4.25Å; V921-V924 HydrophobicContact CG1-CG2 3.68Å; V921-V938 HydrophobicContact CG1-CG1 4.01Å
922	D	96.8	Very high	90.7	Very high	39 Å²	39	60.7 Å²	60.7	21%	0.209	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-53	-175.7	-176.9	47.9	0	0	0	111.2	I920 R939 R941	I920-D922 PolarHBondContact O-N 3.13Å; D922-R939 HydrophobicContact CB-CG 4.45Å; D922-R939 PolarHBondContact N-O 2.92Å; D922-R939 IonicContact OD2-CZ 3.1Å; D922-R939 IonicContact OD2-NE 3.95Å; D922-R939 PolarHBondContact OD2-NE 3.18Å; D922-R939 IonicContact OD2-NH2 3.04Å; D922-R939 PolarHBondContact OD2-NH2 2.94Å; D922-R941 HydrophobicContact CB-CB 4.1Å; D922-R941 HydrophobicContact CB-CG 4.04Å; D922-R941 WeakPolarHBondContact OD1-CD 3.27Å; D922-R941 IonicContact OD1-NE 2.64Å
923	Q	95.2	Very high	90.5	Very high	77 Å²	77	60.7 Å²	60.7	36%	0.36	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	144.4	-179.9	-67.7	-176	-6.4	0	0	110.4	H758 R939	H758-Q923 PolarHBondContact O-OE1 2.94Å; Q923-R939 PolarHBondContact N-O 3.15Å; Q923-R939 PolarHBondContact O-N 3.5Å
924	V	96.2	Very high	90.6	Very high	41 Å²	41	62.7 Å²	62.7	25%	0.248	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.3	171.2	178.6	0	0	0	0	108.5	L870 I871 P873 V921 V926 K937 V938	L870-V924 HydrophobicContact CD1-CG1 4.41Å; I871-V924 WeakPolarHBondContact O-CG2 3.41Å; P873-V924 HydrophobicContact CG-CB 4.33Å; P873-V924 HydrophobicContact CG-CG2 4.22Å; V921-V924 HydrophobicContact CG1-CG2 3.68Å; V924-V926 HydrophobicContact CG1-CG2 4.47Å; V924-K937 WeakPolarHBondContact CA-O 3.08Å; V924-V938 HydrophobicContact CG1-CG2 4.16Å; V924-V938 HydrophobicContact CG2-CB 4.41Å; V924-V938 HydrophobicContact CG2-CG1 4.06Å; V924-V938 HydrophobicContact CG2-CG2 4.08Å
925	M	94.6	Very high	90.9	Very high	38 Å²	38	57.7 Å²	57.7	19%	0.187	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.8	179.8	-177.3	-163.3	79.7	0	0	108.6	L133 M761 T927 F935 C936 K937	L133-M925 HydrophobicContact CB-CE 4.28Å; L133-M925 HydrophobicContact CB-SD 3.82Å; L133-M925 HydrophobicContact CD1-SD 4.28Å; L133-M925 HydrophobicContact CD2-SD 3.94Å; L133-M925 HydrophobicContact CG-SD 4.22Å; L133-M925 WeakPolarHBondContact O-CE 3.49Å; M761-M925 HydrophobicContact CE-CB 4.37Å; M925-T927 HydrophobicContact CE-CG2 3.82Å; M925-F935 HydrophobicContact CE-CE1 4.36Å; M925-C936 CarbonylContact O-C 3.53Å; M925-C936 VanDerWaalsContact O-CA 3.26Å; M925-C936 WeakPolarHBondContact O-CA 3.33Å; M925-K937 HydrophobicContact CE-CB 4.1Å; M925-K937 HydrophobicContact CE-CD 3.77Å; M925-K937 HydrophobicContact CE-CG 3.92Å; M925-K937 PolarHBondContact N-O 3.2Å; M925-K937 PolarHBondContact O-N 2.87Å
926	V	95.1	Very high	91.5	Very high	71 Å²	71	49.4 Å²	49.4	43%	0.43	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.7	173.8	-174.8	0	0	0	0	108	L870 V924 K934 C936	L870-V926 HydrophobicContact CD1-CG2 3.38Å; V924-V926 HydrophobicContact CG1-CG2 4.47Å; V926-K934 HydrophobicContact CG1-CD 4.44Å; V926-K934 HydrophobicContact CG1-CG 4.01Å; V926-C936 HydrophobicContact CG2-CB 4.47Å
927	T	93	Very high	92.1	Very high	27 Å²	27	46.7 Å²	46.7	17%	0.166	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	-173.1	-177.8	-167.5	0	0	0	0	110.5	R134 M925 F935	R134-T927 HydrophobicContact CG-CG2 4.05Å; R134-T927 WeakPolarHBondContact CG-OG1 3.43Å; M925-T927 HydrophobicContact CE-CG2 3.82Å; T927-F935 HydrophobicContact CG2-CB 4.37Å; T927-F935 HydrophobicContact CG2-CD1 3.63Å; T927-F935 HydrophobicContact CG2-CE1 4.48Å; T927-F935 HydrophobicContact CG2-CG 4.48Å; T927-F935 PolarHBondContact N-O 3.16Å; T927-F935 PolarHBondContact O-N 3.44Å; T927-F935 VanDerWaalsContact O-O 3.08Å
928	W	90	Very high	92.5	Very high	149 Å²	149	45.8 Å²	45.8	56%	0.564	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.5	176.4	-57.4	92.6	0	0	0	109.7	R134 N933 K934	R134-W928 PolarHBondContact NE-O 3.28Å; W928-N933 WeakPolarHBondContact CA-O 2.95Å; W928-K934 HydrophobicContact CZ3-CB 4.31Å
929	N	86.8	Confident	92.7	Very high	13 Å²	13	40.6 Å²	40.6	7%	0.07	21%	0.205	C	C	.	.			trans	-78.4	179.5	175.4	73.1	4.2	0	0	0	111.2	Q834 E931 G932 N933 F935	Q834-N929 PolarHBondContact OE1-ND2 2.83Å; N929-E931 PolarHBondContact O-N 2.81Å; N929-E931 WeakPolarHBondContact OD1-CA 3.4Å; N929-E931 WeakPolarHBondContact OD1-CB 3.3Å; N929-E931 PolarHBondContact OD1-N 2.64Å; N929-G932 WeakPolarHBondContact O-CA 3.45Å; N929-G932 PolarHBondContact O-N 2.56Å; N929-G932 PolarHBondContact OD1-N 3.44Å; N929-N933 PolarHBondContact N-O 2.96Å; N929-N933 PolarHBondContact OD1-N 3.06Å; N929-N933 PolarHBondContact OD1-O 3.49Å; N929-F935 HydrophobicContact CB-CB 4.15Å
930	N	83.9	Confident	92.8	Very high	102 Å²	102	40.3 Å²	40.3	55%	0.545	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.3	177.5	-170.1	71	0	0	0	114	L136 G932	L136-N930 HydrophobicContact CD2-CB 3.7Å; N930-G932 VanDerWaalsContact C-N 3.26Å
931	E	83	Confident	92.7	Very high	119 Å²	119	41.2 Å²	41.2	56%	0.556	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.9	175.1	-62.3	170.1	-177.8	0	0	111.3	K119 N929 N933	K119-E931 VanDerWaalsContact CE-C 3.42Å; K119-E931 WeakPolarHBondContact CE-O 3.24Å; K119-E931 PolarHBondContact NZ-O 3.24Å; N929-E931 PolarHBondContact O-N 2.81Å; N929-E931 WeakPolarHBondContact OD1-CA 3.4Å; N929-E931 WeakPolarHBondContact OD1-CB 3.3Å; N929-E931 PolarHBondContact OD1-N 2.64Å; E931-N933 VanDerWaalsContact C-N 3.28Å; E931-N933 PolarHBondContact O-N 3.14Å; E931-N933 PolarHBondContact OE2-ND2 3.5Å
932	G	84.2	Confident	92.6	Very high	13 Å²	13	41.7 Å²	41.7	13%	0.134	20%	0.204	C	C	.	.			trans	51	41.1	-170.5	0	0	0	0	0	114.1	K119 N929 N930	K119-G932 VanDerWaalsContact NZ-C 3.26Å; K119-G932 PolarHBondContact NZ-O 3.08Å; N929-G932 WeakPolarHBondContact O-CA 3.45Å; N929-G932 PolarHBondContact O-N 2.56Å; N929-G932 PolarHBondContact OD1-N 3.44Å; N930-G932 VanDerWaalsContact C-N 3.26Å
933	N	88.3	Confident	92.5	Very high	30 Å²	30	42.8 Å²	42.8	16%	0.16	21%	0.213	C	C	.	.			trans	-90.7	154.1	160.3	-52.3	-29.8	0	0	0	109	E835 W928 N929 E931 F935	E835-N933 WeakPolarHBondContact O-CB 3.48Å; E835-N933 PolarHBondContact O-ND2 2.91Å; W928-N933 WeakPolarHBondContact CA-O 2.95Å; N929-N933 PolarHBondContact N-O 2.96Å; N929-N933 PolarHBondContact OD1-N 3.06Å; N929-N933 PolarHBondContact OD1-O 3.49Å; E931-N933 VanDerWaalsContact C-N 3.28Å; E931-N933 PolarHBondContact O-N 3.14Å; E931-N933 PolarHBondContact OE2-ND2 3.5Å; N933-F935 PolarHBondContact O-N 2.95Å
934	K	92.4	Very high	92.5	Very high	49 Å²	49	39.8 Å²	39.8	21%	0.213	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	131.2	175	-165.1	176.3	171.7	-167.6	0	109.3	Q834 E835 F846 V926 W928	Q834-K934 WeakPolarHBondContact CA-O 3.39Å; E835-K934 HydrophobicContact CB-CB 4.46Å; E835-K934 HydrophobicContact CG-CB 4.22Å; E835-K934 PolarHBondContact N-O 3.37Å; E835-K934 WeakPolarHBondContact OE2-CB 3.26Å; F846-K934 HydrophobicContact CD2-CD 3.97Å; F846-K934 HydrophobicContact CD2-CG 4.14Å; F846-K934 HydrophobicContact CE2-CB 4.45Å; F846-K934 HydrophobicContact CE2-CG 4.28Å; V926-K934 HydrophobicContact CG1-CD 4.44Å; V926-K934 HydrophobicContact CG1-CG 4.01Å; W928-K934 HydrophobicContact CZ3-CB 4.31Å
935	F	93.6	Very high	92.5	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132.6	-175.9	173.2	-110.4	0	0	0	109.5	N135 K832 D833 Q834 M925 T927 N929 N933 K937	N135-F935 WeakPolarHBondContact ND2-CE2 3.29Å; N135-F935 WeakPolarHBondContact ND2-CZ 3.4Å; K832-F935 HydrophobicContact CB-CE2 3.92Å; K832-F935 HydrophobicContact CB-CZ 3.85Å; K832-F935 HydrophobicContact CD-CE2 4.43Å; K832-F935 HydrophobicContact CD-CZ 4.25Å; K832-F935 HydrophobicContact CG-CE2 4.49Å; D833-F935 WeakPolarHBondContact O-CD2 3.27Å; D833-F935 WeakPolarHBondContact O-CE2 3.35Å; Q834-F935 HydrophobicContact CB-CD2 3.97Å; M925-F935 HydrophobicContact CE-CE1 4.36Å; T927-F935 HydrophobicContact CG2-CB 4.37Å; T927-F935 HydrophobicContact CG2-CD1 3.63Å; T927-F935 HydrophobicContact CG2-CE1 4.48Å; T927-F935 HydrophobicContact CG2-CG 4.48Å; T927-F935 PolarHBondContact N-O 3.16Å; T927-F935 PolarHBondContact O-N 3.44Å; T927-F935 VanDerWaalsContact O-O 3.08Å; N929-F935 HydrophobicContact CB-CB 4.15Å; N933-F935 PolarHBondContact O-N 2.95Å; F935-K937 HydrophobicContact CE1-CD 3.95Å; F935-K937 VanDerWaalsContact CE1-CE 3.47Å; F935-K937 HydrophobicContact CE1-CG 3.61Å; F935-K937 HydrophobicContact CZ-CD 4.06Å; F935-K937 VanDerWaalsContact CZ-CE 3.43Å; F935-K937 HydrophobicContact CZ-CG 3.55Å
936	C	94.9	Very high	92.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149	179.5	67.7	0	0	0	0	112.5	K832 D833 F846 L870 M925 V926	K832-C936 WeakPolarHBondContact CA-O 3.38Å; D833-C936 PolarHBondContact N-O 3.28Å; D833-C936 VanDerWaalsContact N-O 3.11Å; D833-C936 PolarHBondContact O-N 2.86Å; F846-C936 HydrophobicContact CE2-CB 4.33Å; L870-C936 HydrophobicContact CD1-CB 4.39Å; L870-C936 HydrophobicContact CD2-CB 4.28Å; M925-C936 CarbonylContact O-C 3.53Å; M925-C936 VanDerWaalsContact O-CA 3.26Å; M925-C936 WeakPolarHBondContact O-CA 3.33Å; V926-C936 HydrophobicContact CG2-CB 4.47Å
937	K	95.8	Very high	92.6	Very high	10 Å²	10	37.5 Å²	37.5	4%	0.043	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.8	168.7	-67.2	-174.8	171	161.9	0	109.4	R132 L133 N135 M761 T830 Y831 K832 V924 M925 F935	R132-K937 PolarHBondContact O-NZ 3.49Å; L133-K937 WeakPolarHBondContact O-CE 3.48Å; L133-K937 PolarHBondContact O-NZ 3.28Å; N135-K937 WeakPolarHBondContact OD1-CE 3.45Å; N135-K937 PolarHBondContact OD1-NZ 3.24Å; M761-K937 HydrophobicContact CB-CD 3.79Å; M761-K937 HydrophobicContact CE-CB 3.7Å; M761-K937 WeakPolarHBondContact CE-O 3.25Å; M761-K937 HydrophobicContact CG-CD 4.47Å; T830-K937 HydrophobicContact CG2-CB 3.93Å; T830-K937 HydrophobicContact CG2-CD 4.4Å; T830-K937 HydrophobicContact CG2-CG 4.37Å; Y831-K937 CarbonylContact O-C 3.51Å; Y831-K937 VanDerWaalsContact O-CA 3.3Å; Y831-K937 WeakPolarHBondContact O-CA 3.13Å; K832-K937 HydrophobicContact CB-CG 3.99Å; V924-K937 WeakPolarHBondContact CA-O 3.08Å; M925-K937 HydrophobicContact CE-CB 4.1Å; M925-K937 HydrophobicContact CE-CD 3.77Å; M925-K937 HydrophobicContact CE-CG 3.92Å; M925-K937 PolarHBondContact N-O 3.2Å; M925-K937 PolarHBondContact O-N 2.87Å; F935-K937 HydrophobicContact CE1-CD 3.95Å; F935-K937 VanDerWaalsContact CE1-CE 3.47Å; F935-K937 HydrophobicContact CE1-CG 3.61Å; F935-K937 HydrophobicContact CZ-CD 4.06Å; F935-K937 VanDerWaalsContact CZ-CE 3.43Å; F935-K937 HydrophobicContact CZ-CG 3.55Å
938	V	96.4	Very high	92.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	113.9	177.4	178.8	0	0	0	0	108.3	T830 Y831 I871 I884 V921 V924 V940	T830-V938 CarbonylContact C-O 3.56Å; T830-V938 WeakPolarHBondContact CA-O 3.33Å; Y831-V938 PolarHBondContact N-O 3.43Å; Y831-V938 PolarHBondContact O-N 3.37Å; I871-V938 HydrophobicContact CG2-CG1 3.91Å; I884-V938 HydrophobicContact CD1-CG2 4.2Å; I884-V938 HydrophobicContact CG1-CG2 3.97Å; V921-V938 HydrophobicContact CG1-CG1 4.01Å; V924-V938 HydrophobicContact CG1-CG2 4.16Å; V924-V938 HydrophobicContact CG2-CB 4.41Å; V924-V938 HydrophobicContact CG2-CG1 4.06Å; V924-V938 HydrophobicContact CG2-CG2 4.08Å; V938-V940 HydrophobicContact CG1-CG2 4.42Å
939	R	96.9	Very high	93	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.026	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.5	176.3	-172.2	169.2	76.6	-161.2	-2.2	109.7	F757 H758 R760 M761 Y828 D922 Q923	F757-R939 PolarHBondContact O-NH1 2.89Å; H758-R939 PolarHBondContact O-NH1 3Å; H758-R939 PolarHBondContact O-NH2 2.86Å; R760-R939 PolarHBondContact O-NH1 3.28Å; M761-R939 HydrophobicContact CE-CB 3.67Å; M761-R939 HydrophobicContact SD-CB 3.8Å; M761-R939 HydrophobicContact SD-CG 4.49Å; Y828-R939 HydrophobicContact CD1-CG 4.15Å; D922-R939 HydrophobicContact CB-CG 4.45Å; D922-R939 PolarHBondContact N-O 2.92Å; D922-R939 IonicContact OD2-CZ 3.1Å; D922-R939 IonicContact OD2-NE 3.95Å; D922-R939 PolarHBondContact OD2-NE 3.18Å; D922-R939 IonicContact OD2-NH2 3.04Å; D922-R939 PolarHBondContact OD2-NH2 2.94Å; Q923-R939 PolarHBondContact N-O 3.15Å; Q923-R939 PolarHBondContact O-N 3.5Å
940	V	96.5	Very high	93.4	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.6	176.5	-177	0	0	0	0	108.5	Y828 R829 Y831 V877 L883 M913 I920 V938	Y828-V940 WeakPolarHBondContact CA-O 3.16Å; R829-V940 PolarHBondContact N-O 3.15Å; R829-V940 PolarHBondContact O-N 3.38Å; Y831-V940 HydrophobicContact CD2-CG2 4.29Å; Y831-V940 HydrophobicContact CE2-CG2 4.27Å; V877-V940 HydrophobicContact CG2-CG1 3.78Å; V877-V940 HydrophobicContact CG2-CG2 4.34Å; L883-V940 HydrophobicContact CD1-CG2 4.19Å; L883-V940 HydrophobicContact CD2-CG2 4.33Å; M913-V940 HydrophobicContact CE-CG1 3.88Å; I920-V940 WeakPolarHBondContact O-CA 3.47Å; V938-V940 HydrophobicContact CG1-CG2 4.42Å
941	R	96	Very high	94	Very high	73 Å²	73	31.9 Å²	31.9	28%	0.275	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.2	177.9	71.4	-169.7	-177.9	77.3	3.4	111.7	E826 F827 Y828 G919 I920 D922	E826-R941 HydrophobicContact CG-CB 4.2Å; E826-R941 VanDerWaalsContact OE1-CD 3.23Å; E826-R941 WeakPolarHBondContact OE1-CD 3.33Å; E826-R941 IonicContact OE1-CZ 2.66Å; E826-R941 IonicContact OE1-NH1 2.76Å; E826-R941 PolarHBondContact OE1-NH1 2.78Å; E826-R941 VanDerWaalsContact OE1-NH1 3.11Å; F827-R941 CarbonylContact O-C 3.58Å; F827-R941 WeakPolarHBondContact O-CA 3.45Å; Y828-R941 HydrophobicContact CD1-CB 3.7Å; Y828-R941 HydrophobicContact CE1-CB 3.68Å; G919-R941 CarbonylContact C-O 3.6Å; G919-R941 VanDerWaalsContact CA-O 3.25Å; G919-R941 WeakPolarHBondContact CA-O 3.46Å; I920-R941 HydrophobicContact CB-CG 4.37Å; I920-R941 PolarHBondContact N-O 2.95Å; I920-R941 PolarHBondContact O-N 2.96Å; D922-R941 HydrophobicContact CB-CB 4.1Å; D922-R941 HydrophobicContact CB-CG 4.04Å; D922-R941 WeakPolarHBondContact OD1-CD 3.27Å; D922-R941 IonicContact OD1-NE 2.64Å
942	T	95.3	Very high	94.7	Very high	11 Å²	11	26.3 Å²	26.3	7%	0.067	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	123.9	178.6	-49.3	0	0	0	0	109.8	F827 Y918 K944	F827-T942 PolarHBondContact N-O 2.84Å; F827-T942 PolarHBondContact O-N 2.91Å; Y918-T942 HydrophobicContact CD2-CG2 4.3Å; Y918-T942 HydrophobicContact CE2-CG2 3.93Å; Y918-T942 VanDerWaalsContact O-CG2 3.23Å; Y918-T942 WeakPolarHBondContact O-CG2 3.29Å; Y918-T942 PolarHBondContact O-OG1 2.86Å; T942-K944 HydrophobicContact CG2-CD 4.36Å
943	T	95.1	Very high	95.3	Very high	63 Å²	63	25.7 Å²	25.7	39%	0.387	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	127.9	170.1	-55.3	0	0	0	0	110	Y769	Y769-T943 HydrophobicContact CE2-CG2 4.47Å; Y769-T943 VanDerWaalsContact OH-CG2 3.29Å; Y769-T943 WeakPolarHBondContact OH-CG2 3.32Å; Y769-T943 PolarHBondContact OH-OG1 3.31Å
944	K	94.6	Very high	95.6	Very high	14 Å²	14	24.2 Å²	24.2	6%	0.061	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	103.5	176.7	-66.7	-65.2	-162.9	177.9	0	109.2	S825 F827 T942 R1067 M1071 D1073	S825-K944 PolarHBondContact N-O 3.35Å; S825-K944 VanDerWaalsContact N-O 3.13Å; S825-K944 PolarHBondContact O-N 2.83Å; F827-K944 HydrophobicContact CB-CG 4.12Å; T942-K944 HydrophobicContact CG2-CD 4.36Å; K944-R1067 PolarHBondContact O-NH1 3.13Å; K944-M1071 HydrophobicContact CB-SD 3.81Å; K944-M1071 HydrophobicContact CD-SD 4.14Å; K944-M1071 HydrophobicContact CG-CE 4.24Å; K944-M1071 HydrophobicContact CG-SD 3.77Å; K944-D1073 IonicContact NZ-OD2 2.72Å; K944-D1073 PolarHBondContact NZ-OD2 3.24Å
945	A	95.4	Very high	95.8	Very high	47 Å²	47	21.9 Å²	21.9	39%	0.388	12%	0.123	S	C	.	.			trans	-78.2	146.6	169.7	0	0	0	0	0	110.4	Q947 R1067	A945-Q947 PolarHBondContact O-N 2.92Å; A945-R1067 PolarHBondContact O-NH2 3.39Å
946	P	96.5	Very high	96	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.122	C	C	.	.			trans	-53.5	132.4	168.7	-33	39.1	0	0	0	113.5	I818 F822 F823 F952 R965	I818-P946 HydrophobicContact CD1-CB 3.89Å; I818-P946 HydrophobicContact CG1-CB 4.01Å; I818-P946 HydrophobicContact CG1-CG 4.34Å; I818-P946 HydrophobicContact CG2-CB 4.32Å; I818-P946 HydrophobicContact CG2-CG 4.44Å; F822-P946 WeakPolarHBondContact O-CG 3.3Å; F823-P946 HydrophobicContact CB-CG 3.66Å; P946-F952 HydrophobicContact CB-CZ 3.95Å; P946-F952 HydrophobicContact CG-CZ 4.29Å; P946-R965 PolarHBondContact O-NH1 3.1Å
947	Q	94.9	Very high	95.8	Very high	54 Å²	54	21.9 Å²	21.9	25%	0.252	12%	0.123	S	C	.	.			trans	-138.9	169.4	177.2	63.4	-179.5	-12.8	0	0	112.3	A945 G949 D950 C962 V1072 D1073	A945-Q947 PolarHBondContact O-N 2.92Å; Q947-G949 PolarHBondContact O-N 3.27Å; Q947-D950 PolarHBondContact N-OD2 2.98Å; Q947-D950 WeakPolarHBondContact O-CB 3.43Å; Q947-D950 PolarHBondContact O-N 3.01Å; Q947-D950 VanDerWaalsContact O-N 3.13Å; Q947-C962 WeakPolarHBondContact O-CB 3.26Å; Q947-V1072 HydrophobicContact CG-CG1 3.82Å; Q947-D1073 PolarHBondContact NE2-OD1 2.86Å; Q947-D1073 PolarHBondContact NE2-OD2 2.85Å
948	V	96.9	Very high	95.7	Very high	73 Å²	73	21.9 Å²	21.9	44%	0.442	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	132.3	175.7	175.9	0	0	0	0	109.6	C962 G963 R965 V1072	V948-C962 CarbonylContact C-O 3.57Å; V948-C962 WeakPolarHBondContact CA-O 3.42Å; V948-C962 WeakPolarHBondContact CG1-O 3.45Å; V948-G963 WeakPolarHBondContact CG1-O 3.46Å; V948-R965 HydrophobicContact CG2-CG 4.38Å; V948-V1072 WeakPolarHBondContact O-CG1 3.2Å
949	G	95.2	Very high	95.5	Very high	26 Å²	26	26.8 Å²	26.8	27%	0.268	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	91	-12.7	-176.1	0	0	0	0	0	115.6	Q947 C962	Q947-G949 PolarHBondContact O-N 3.27Å; G949-C962 PolarHBondContact N-O 3.11Å
950	D	96.6	Very high	95.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.148	C	C	.	.			trans	-67.6	147.3	170	-76.8	-4.2	0	0	0	110.9	Q947 F952 T961 C962 R1067 M1071 V1072	Q947-D950 PolarHBondContact N-OD2 2.98Å; Q947-D950 WeakPolarHBondContact O-CB 3.43Å; Q947-D950 PolarHBondContact O-N 3.01Å; Q947-D950 VanDerWaalsContact O-N 3.13Å; D950-F952 HydrophobicContact CB-CE2 3.89Å; D950-F952 HydrophobicContact CB-CZ 4.39Å; D950-T961 WeakPolarHBondContact O-CA 3.47Å; D950-C962 PolarHBondContact O-N 3.38Å; D950-R1067 IonicContact OD2-CZ 2.88Å; D950-R1067 IonicContact OD2-NE 2.76Å; D950-R1067 IonicContact OD2-NH2 3.33Å; D950-R1067 PolarHBondContact OD2-NH2 2.97Å; D950-M1071 VanDerWaalsContact OD1-CA 3.32Å; D950-M1071 WeakPolarHBondContact OD1-CA 3.47Å; D950-V1072 PolarHBondContact OD1-N 2.82Å; D950-V1072 VanDerWaalsContact OD1-N 3.13Å
951	K	96.6	Very high	95.3	Very high	72 Å²	72	29.3 Å²	29.3	31%	0.313	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.7	-176.8	-63.3	-169.6	-178.6	-167.9	0	112.5	G960 T961 L1068 H1070	K951-G960 WeakPolarHBondContact CA-O 3.16Å; K951-T961 HydrophobicContact CG-CG2 3.91Å; K951-L1068 HydrophobicContact CB-CB 4.18Å; K951-L1068 HydrophobicContact CB-CD1 4.12Å; K951-L1068 HydrophobicContact CB-CG 4.48Å; K951-L1068 PolarHBondContact O-N 3.33Å; K951-H1070 HydrophobicContact CB-CB 4.42Å; K951-H1070 HydrophobicContact CD-CB 3.92Å; K951-H1070 HydrophobicContact CG-CB 4.3Å
952	F	96.6	Very high	95.3	Very high	2 Å²	2	26 Å²	26	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	154.2	173.6	-62.3	-90.9	0	0	0	109.4	I813 F823 P946 D950 K959 G960 C962 Y1065 Q1066 R1067	I813-F952 HydrophobicContact CD1-CD2 3.84Å; I813-F952 HydrophobicContact CD1-CE2 3.56Å; I813-F952 HydrophobicContact CD1-CG 4.5Å; I813-F952 HydrophobicContact CD1-CZ 4Å; F823-F952 HydrophobicContact CB-CE1 4.05Å; F823-F952 HydrophobicContact CD2-CD1 4.13Å; F823-F952 AromaticContact CD2-CE1 3.75Å; F823-F952 HydrophobicContact CD2-CE1 3.75Å; F823-F952 HydrophobicContact CE2-CD1 4.27Å; F823-F952 HydrophobicContact CE2-CE1 4.34Å; F823-F952 HydrophobicContact CG-CD1 4.5Å; F823-F952 AromaticContact CG-CE1 3.89Å; F823-F952 HydrophobicContact CG-CE1 3.89Å; P946-F952 HydrophobicContact CB-CZ 3.95Å; P946-F952 HydrophobicContact CG-CZ 4.29Å; D950-F952 HydrophobicContact CB-CE2 3.89Å; D950-F952 HydrophobicContact CB-CZ 4.39Å; F952-K959 CarbonylContact O-C 3.56Å; F952-K959 WeakPolarHBondContact O-CA 3.35Å; F952-G960 PolarHBondContact N-O 2.98Å; F952-G960 PolarHBondContact O-N 3.04Å; F952-G960 VanDerWaalsContact O-O 3.1Å; F952-C962 HydrophobicContact CE2-CB 4.21Å; F952-Y1065 HydrophobicContact CB-CD1 4.42Å; F952-Q1066 CarbonylContact C-O 3.48Å; F952-Q1066 WeakPolarHBondContact CA-O 3.26Å; F952-R1067 HydrophobicContact CD1-CB 4.06Å; F952-R1067 HydrophobicContact CD1-CG 4.08Å; F952-R1067 HydrophobicContact CE1-CB 3.83Å; F952-R1067 HydrophobicContact CE1-CG 3.54Å; F952-R1067 HydrophobicContact CZ-CG 3.99Å
953	A	96.2	Very high	95.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.5	172.5	0	0	0	0	0	111.4	M745 Q958 K959 Q1066 L1068	M745-A953 HydrophobicContact SD-CB 4.08Å; A953-Q958 WeakPolarHBondContact CA-O 3.02Å; A953-K959 HydrophobicContact CB-CB 4.48Å; A953-Q1066 PolarHBondContact N-O 3.08Å; A953-Q1066 PolarHBondContact O-N 3.08Å; A953-L1068 HydrophobicContact CB-CD1 4.16Å; A953-L1068 HydrophobicContact CB-CD2 4.22Å; A953-L1068 HydrophobicContact CB-CG 4.35Å
954	S	95.6	Very high	95.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.15	C	C	.	.			trans	-75.6	-176.1	163.8	71.6	0	0	0	0	110.6	Q742 H956 Q958	Q742-S954 PolarHBondContact NE2-O 3.14Å; Q742-S954 PolarHBondContact OE1-O 3.39Å; S954-H956 VanDerWaalsContact C-N 3.25Å; S954-H956 PolarHBondContact O-N 3.47Å; S954-H956 PolarHBondContact OG-N 3.04Å; S954-Q958 PolarHBondContact N-O 3.46Å; S954-Q958 VanDerWaalsContact N-O 3.12Å
955	R	96.5	Very high	95.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	8.9	171	-66.4	-170.8	-67.4	172.8	-10	114.5	I727 I728 P729 Q742 V776 E1000 Y1064	I727-R955 WeakPolarHBondContact O-CD 3.01Å; I727-R955 PolarHBondContact O-NH1 2.93Å; I728-R955 WeakPolarHBondContact CG2-O 3.45Å; P729-R955 HydrophobicContact CG-CB 4.41Å; Q742-R955 WeakPolarHBondContact CG-O 3.47Å; V776-R955 VanDerWaalsContact O-CZ 3.29Å; V776-R955 PolarHBondContact O-NH1 3.26Å; V776-R955 PolarHBondContact O-NH2 2.96Å; R955-E1000 IonicContact CZ-OE1 2.8Å; R955-E1000 IonicContact NE-OE1 3.72Å; R955-E1000 PolarHBondContact NE-OE1 3.14Å; R955-E1000 IonicContact NE-OE2 2.94Å; R955-E1000 VanDerWaalsContact NH2-CD 3.27Å; R955-E1000 IonicContact NH2-OE1 2.89Å; R955-E1000 PolarHBondContact NH2-OE1 3.1Å; R955-E1000 IonicContact NH2-OE2 3.27Å; R955-Y1064 HydrophobicContact CG-CD1 3.97Å
956	H	96.8	Very high	95.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	22.7	-174.8	-64.6	-84.7	0	0	0	113.3	P729 N734 S954 Q958 T994 G996 H997 E1000	P729-H956 WeakPolarHBondContact CG-NE2 3.43Å; P729-H956 PolarHBondContact O-CE1 3.4Å; N734-H956 PolarHBondContact ND2-ND1 2.88Å; N734-H956 PolarHBondContact OD1-ND1 2.95Å; S954-H956 VanDerWaalsContact C-N 3.25Å; S954-H956 PolarHBondContact O-N 3.47Å; S954-H956 PolarHBondContact OG-N 3.04Å; H956-Q958 PolarHBondContact O-N 3.41Å; H956-T994 HydrophobicContact CB-CG2 4.31Å; H956-T994 WeakPolarHBondContact O-CG2 3.46Å; H956-G996 PolarHBondContact CE1-O 2.64Å; H956-G996 PolarHBondContact NE2-O 2.89Å; H956-H997 HydrophobicContact CB-CB 4.02Å; H956-H997 WeakPolarHBondContact CD2-CA 3.4Å; H956-H997 PolarHBondContact CE1-N 2.68Å; H956-H997 VanDerWaalsContact CE1-N 3.32Å; H956-H997 PolarHBondContact ND1-N 3.47Å; H956-H997 WeakPolarHBondContact NE2-CA 3.34Å; H956-H997 PolarHBondContact NE2-N 3.46Å; H956-E1000 IonicContact CD2-OE2 3.51Å; H956-E1000 PolarHBondContact CD2-OE2 3.02Å; H956-E1000 VanDerWaalsContact CD2-OE2 3.31Å; H956-E1000 IonicContact NE2-OE2 3.91Å; H956-E1000 PolarHBondContact NE2-OE2 3.43Å
957	G	92.3	Very high	95.8	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.031	17%	0.17	C	C	.	.	S	Bend	trans	70.6	21.6	-179.9	0	0	0	0	0	113.8	Q742 M745	Q742-G957 VanDerWaalsContact OE1-N 3.09Å; M745-G957 VanDerWaalsContact CE-CA 3.45Å
958	Q	92	Very high	95.9	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.047	17%	0.174	C	C	.	.			trans	-95.9	96.2	171.7	-58.2	-169.4	1.1	0	0	109.7	A953 S954 H956 T994 H997	A953-Q958 WeakPolarHBondContact CA-O 3.02Å; S954-Q958 PolarHBondContact N-O 3.46Å; S954-Q958 VanDerWaalsContact N-O 3.12Å; H956-Q958 PolarHBondContact O-N 3.41Å; Q958-T994 HydrophobicContact CG-CG2 4.29Å; Q958-T994 PolarHBondContact NE2-OG1 2.95Å; Q958-H997 PolarHBondContact NE2-ND1 3.08Å; Q958-H997 PolarHBondContact OE1-CE1 3.29Å; Q958-H997 PolarHBondContact OE1-ND1 2.81Å; Q958-H997 VanDerWaalsContact OE1-ND1 3.08Å
959	K	93	Very high	95.8	Very high	104 Å²	104	35.3 Å²	35.3	45%	0.452	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	140.9	170.1	64.2	-169.1	179.9	-165.5	0	110.1	M745 F952 A953	M745-K959 HydrophobicContact SD-CB 3.72Å; M745-K959 HydrophobicContact SD-CD 4.18Å; M745-K959 HydrophobicContact SD-CG 4.39Å; F952-K959 CarbonylContact O-C 3.56Å; F952-K959 WeakPolarHBondContact O-CA 3.35Å; A953-K959 HydrophobicContact CB-CB 4.48Å
960	G	92.2	Very high	95.9	Very high	9 Å²	9	36.1 Å²	36.1	9%	0.093	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	153.7	172.1	0	0	0	0	0	112.1	D809 K951 F952	D809-G960 CarbonylContact O-C 3.45Å; D809-G960 WeakPolarHBondContact O-CA 3.45Å; K951-G960 WeakPolarHBondContact CA-O 3.16Å; F952-G960 PolarHBondContact N-O 2.98Å; F952-G960 PolarHBondContact O-N 3.04Å; F952-G960 VanDerWaalsContact O-O 3.1Å
961	T	96.5	Very high	95.9	Very high	53 Å²	53	36 Å²	36	33%	0.325	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	144.7	169.3	51.4	0	0	0	0	110.1	D809 S810 V811 D950 K951 G963	D809-T961 PolarHBondContact O-N 2.88Å; S810-T961 CarbonylContact C-O 3.56Å; S810-T961 VanDerWaalsContact CA-O 3.23Å; S810-T961 WeakPolarHBondContact CA-O 3.46Å; V811-T961 PolarHBondContact N-O 3.24Å; D950-T961 WeakPolarHBondContact O-CA 3.47Å; K951-T961 HydrophobicContact CG-CG2 3.91Å; T961-G963 PolarHBondContact O-N 2.81Å; T961-G963 VanDerWaalsContact O-N 3.13Å
962	C	96.7	Very high	96	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	114.6	169.9	178.6	0	0	0	0	109	V811 I813 Q947 V948 G949 D950 F952	V811-C962 WeakPolarHBondContact O-CA 3.41Å; I813-C962 HydrophobicContact CD1-CB 3.73Å; I813-C962 HydrophobicContact CG1-CB 4.35Å; Q947-C962 WeakPolarHBondContact O-CB 3.26Å; V948-C962 CarbonylContact C-O 3.57Å; V948-C962 WeakPolarHBondContact CA-O 3.42Å; V948-C962 WeakPolarHBondContact CG1-O 3.45Å; G949-C962 PolarHBondContact N-O 3.11Å; D950-C962 PolarHBondContact O-N 3.38Å; F952-C962 HydrophobicContact CE2-CB 4.21Å
963	G	96.5	Very high	96	Very high	25 Å²	25	36 Å²	36	26%	0.258	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-44.2	-178.8	0	0	0	0	0	112.5	V811 V948 T961	V811-G963 PolarHBondContact O-N 3.28Å; V948-G963 WeakPolarHBondContact CG1-O 3.46Å; T961-G963 PolarHBondContact O-N 2.81Å; T961-G963 VanDerWaalsContact O-N 3.13Å
964	I	97.6	Very high	96	Very high	35 Å²	35	36 Å²	36	18%	0.179	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162.4	174.2	-162.2	164.2	0	0	0	110.1	Y805 I812 I813 Y966	Y805-I964 HydrophobicContact CD1-CB 4.07Å; Y805-I964 HydrophobicContact CD1-CD1 4.13Å; Y805-I964 HydrophobicContact CD1-CG2 4.39Å; Y805-I964 HydrophobicContact CD2-CB 4.4Å; Y805-I964 HydrophobicContact CD2-CD1 3.83Å; Y805-I964 HydrophobicContact CD2-CG2 4.01Å; Y805-I964 HydrophobicContact CE1-CD1 4.07Å; Y805-I964 HydrophobicContact CE2-CD1 3.77Å; Y805-I964 HydrophobicContact CG-CB 3.86Å; Y805-I964 HydrophobicContact CG-CD1 4.02Å; Y805-I964 HydrophobicContact CG-CG2 3.68Å; I812-I964 HydrophobicContact CB-CG2 4.39Å; I812-I964 HydrophobicContact CG1-CG2 3.79Å; I812-I964 HydrophobicContact CG2-CG2 4.18Å; I813-I964 PolarHBondContact N-O 3.29Å; I813-I964 VanDerWaalsContact N-O 3.1Å; I964-Y966 HydrophobicContact CD1-CE1 4.09Å; I964-Y966 HydrophobicContact CG2-CD2 4.02Å; I964-Y966 HydrophobicContact CG2-CE2 3.58Å
965	R	97.4	Very high	95.8	Very high	86 Å²	86	40.9 Å²	40.9	33%	0.325	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.3	170.8	-50.3	177.5	-57.6	-172.9	9.4	109.2	I813 E815 I818 P946 V948	I813-R965 WeakPolarHBondContact O-CA 3.44Å; E815-R965 HydrophobicContact CB-CB 4.01Å; E815-R965 IonicContact OE1-CZ 3.73Å; E815-R965 IonicContact OE1-NE 2.7Å; E815-R965 IonicContact OE1-NH2 3.02Å; E815-R965 PolarHBondContact OE1-NH2 3.24Å; I818-R965 HydrophobicContact CD1-CG 4.19Å; P946-R965 PolarHBondContact O-NH1 3.1Å; V948-R965 HydrophobicContact CG2-CG 4.38Å
966	Y	97.8	Very high	95.6	Very high	31 Å²	31	46.6 Å²	46.6	12%	0.122	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.9	174.1	-76.1	-58.6	0	0	0	109.7	Y802 T803 Y805 I812 I813 N814 E815 I964 D970 M971 F1049	Y802-Y966 HydrophobicContact CD1-CE2 4.47Å; Y802-Y966 HydrophobicContact CE1-CD2 4.47Å; Y802-Y966 HydrophobicContact CE1-CE2 4.45Å; T803-Y966 WeakPolarHBondContact CB-OH 3.22Å; T803-Y966 HydrophobicContact CG2-CE2 4.15Å; T803-Y966 WeakPolarHBondContact CG2-OH 3.42Å; T803-Y966 WeakPolarHBondContact OG1-CE2 3.31Å; T803-Y966 PolarHBondContact OG1-OH 2.75Å; T803-Y966 VanDerWaalsContact OG1-OH 3.06Å; Y805-Y966 WeakPolarHBondContact CD2-OH 3.46Å; I812-Y966 HydrophobicContact CG2-CD2 3.55Å; I812-Y966 HydrophobicContact CG2-CE2 4.09Å; I813-Y966 PolarHBondContact O-N 2.77Å; I813-Y966 VanDerWaalsContact O-N 3.11Å; N814-Y966 CarbonylContact C-O 3.44Å; N814-Y966 WeakPolarHBondContact CA-O 3.05Å; E815-Y966 WeakPolarHBondContact CB-O 3.25Å; E815-Y966 PolarHBondContact N-O 2.91Å; I964-Y966 HydrophobicContact CD1-CE1 4.09Å; I964-Y966 HydrophobicContact CG2-CD2 4.02Å; I964-Y966 HydrophobicContact CG2-CE2 3.58Å; Y966-D970 HydrophobicContact CD1-CB 3.89Å; Y966-D970 HydrophobicContact CG-CB 4.13Å; Y966-M971 HydrophobicContact CD2-SD 4.41Å; Y966-F1049 HydrophobicContact CE1-CZ 4.19Å
967	R	97.9	Very high	95.5	Very high	118 Å²	118	48.5 Å²	48.5	45%	0.445	25%	0.251	S	S	.	.			trans	-72.4	163.7	172.9	-60.7	-178.1	-66.7	159.8	6	110	E815 E969 D970 M971	E815-R967 HydrophobicContact CB-CG 4.2Å; E815-R967 HydrophobicContact CG-CG 4.42Å; E815-R967 WeakPolarHBondContact OE2-CG 3.42Å; R967-E969 VanDerWaalsContact CB-CD 3.45Å; R967-E969 HydrophobicContact CB-CG 4.26Å; R967-E969 WeakPolarHBondContact CB-OE2 3.44Å; R967-E969 IonicContact CZ-OE1 2.75Å; R967-E969 IonicContact NE-OE1 3.02Å; R967-E969 PolarHBondContact NE-OE1 3.47Å; R967-E969 VanDerWaalsContact NE-OE1 3.1Å; R967-E969 IonicContact NH1-OE1 3.96Å; R967-E969 PolarHBondContact NH1-OE1 3.29Å; R967-E969 IonicContact NH2-OE1 2.76Å; R967-E969 PolarHBondContact NH2-OE1 3Å; R967-E969 VanDerWaalsContact NH2-OE1 3.15Å; R967-E969 PolarHBondContact O-N 3.34Å; R967-E969 VanDerWaalsContact O-N 3.14Å; R967-D970 PolarHBondContact O-N 3.36Å; R967-M971 WeakPolarHBondContact O-CG 3.47Å; R967-M971 PolarHBondContact O-N 2.81Å
968	Q	96.8	Very high	95.6	Very high	69 Å²	69	51.3 Å²	51.3	32%	0.322	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-54.1	-35.8	-175	-173	172.7	-8.1	0	0	113.1	S816 D970 M971 T979	S816-Q968 WeakPolarHBondContact OG-CB 3.45Å; S816-Q968 PolarHBondContact OG-N 3.37Å; Q968-D970 VanDerWaalsContact C-N 3.32Å; Q968-D970 PolarHBondContact O-N 3.34Å; Q968-M971 PolarHBondContact O-N 3.04Å; Q968-T979 HydrophobicContact CG-CG2 3.84Å
969	E	95.8	Very high	95.9	Very high	96 Å²	96	51.6 Å²	51.6	45%	0.449	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-64.9	-29.4	177.3	56.9	-93.4	-140.2	0	0	114.3	R967 G1048	R967-E969 VanDerWaalsContact CB-CD 3.45Å; R967-E969 HydrophobicContact CB-CG 4.26Å; R967-E969 WeakPolarHBondContact CB-OE2 3.44Å; R967-E969 IonicContact CZ-OE1 2.75Å; R967-E969 IonicContact NE-OE1 3.02Å; R967-E969 PolarHBondContact NE-OE1 3.47Å; R967-E969 VanDerWaalsContact NE-OE1 3.1Å; R967-E969 IonicContact NH1-OE1 3.96Å; R967-E969 PolarHBondContact NH1-OE1 3.29Å; R967-E969 IonicContact NH2-OE1 2.76Å; R967-E969 PolarHBondContact NH2-OE1 3Å; R967-E969 VanDerWaalsContact NH2-OE1 3.15Å; R967-E969 PolarHBondContact O-N 3.34Å; R967-E969 VanDerWaalsContact O-N 3.14Å; E969-G1048 CarbonylContact O-C 3.54Å
970	D	96.8	Very high	96.1	Very high	42 Å²	42	46.7 Å²	46.7	23%	0.225	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-91.9	-11.2	-178.8	-64.1	-43.9	0	0	0	112	Y802 Y966 R967 Q968 F1049	Y802-D970 WeakPolarHBondContact CE1-O 3.4Å; Y802-D970 PolarHBondContact OH-O 3.25Å; Y966-D970 HydrophobicContact CD1-CB 3.89Å; Y966-D970 HydrophobicContact CG-CB 4.13Å; R967-D970 PolarHBondContact O-N 3.36Å; Q968-D970 VanDerWaalsContact C-N 3.32Å; Q968-D970 PolarHBondContact O-N 3.34Å; D970-F1049 HydrophobicContact CB-CE1 3.75Å; D970-F1049 HydrophobicContact CB-CZ 4.18Å
971	M	97.3	Very high	96.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-79.8	144.1	179.5	-69.7	-66.2	-82	0	0	110.9	I812 N814 Y966 R967 Q968 T979 P980 I983 G1048	I812-M971 HydrophobicContact CG2-SD 4.13Å; N814-M971 HydrophobicContact CB-CE 4.11Å; Y966-M971 HydrophobicContact CD2-SD 4.41Å; R967-M971 WeakPolarHBondContact O-CG 3.47Å; R967-M971 PolarHBondContact O-N 2.81Å; Q968-M971 PolarHBondContact O-N 3.04Å; M971-T979 HydrophobicContact CB-CG2 4.1Å; M971-P980 HydrophobicContact CE-CG 3.86Å; M971-P980 WeakPolarHBondContact CE-O 3.2Å; M971-I983 HydrophobicContact CE-CD1 3.85Å; M971-I983 HydrophobicContact CE-CG1 3.92Å; M971-I983 HydrophobicContact SD-CD1 4.19Å; M971-G1048 WeakPolarHBondContact O-CA 3.37Å
972	P	97.3	Very high	96.4	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.026	23%	0.234	C	C	.	.			trans	-65.5	146	171.5	31	-34.5	0	0	0	109.7	Y802 P980 I983 M1045 Y1046	Y802-P972 HydrophobicContact CE2-CB 4.45Å; Y802-P972 HydrophobicContact CE2-CG 4.48Å; P972-P980 HydrophobicContact CG-CG 4.23Å; P972-P980 WeakPolarHBondContact O-CD 3.37Å; P972-I983 HydrophobicContact CG-CD1 3.8Å; P972-M1045 VanDerWaalsContact C-CE 3.48Å; P972-M1045 HydrophobicContact CB-CE 3.77Å; P972-M1045 HydrophobicContact CG-CE 3.9Å; P972-M1045 VanDerWaalsContact O-CE 3.27Å; P972-M1045 WeakPolarHBondContact O-CE 3.12Å; P972-Y1046 WeakPolarHBondContact CA-O 3.37Å; P972-Y1046 WeakPolarHBondContact CB-O 3.35Å
973	F	97.1	Very high	96.4	Very high	70 Å²	70	45 Å²	45	31%	0.307	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	154.1	-176.1	61.8	-84	0	0	0	111.7	I978 T979 M1045 Y1046	F973-I978 WeakPolarHBondContact CA-O 3.35Å; F973-T979 HydrophobicContact CB-CG2 3.91Å; F973-M1045 CarbonylContact O-C 3.54Å; F973-M1045 VanDerWaalsContact O-CA 3.31Å; F973-M1045 WeakPolarHBondContact O-CA 3.4Å; F973-Y1046 HydrophobicContact CD2-CD2 4.07Å; F973-Y1046 HydrophobicContact CD2-CG 4.48Å; F973-Y1046 AromaticContact CE2-CD2 3.81Å; F973-Y1046 HydrophobicContact CE2-CD2 3.81Å; F973-Y1046 AromaticContact CE2-CG 3.92Å; F973-Y1046 HydrophobicContact CE2-CG 3.92Å; F973-Y1046 VanDerWaalsContact CZ-CB 3.48Å; F973-Y1046 HydrophobicContact CZ-CD2 4.39Å; F973-Y1046 HydrophobicContact CZ-CG 4.03Å; F973-Y1046 PolarHBondContact N-O 2.84Å; F973-Y1046 VanDerWaalsContact N-O 3.15Å; F973-Y1046 WeakPolarHBondContact O-CD2 3.28Å; F973-Y1046 PolarHBondContact O-N 2.88Å
974	T	95.8	Very high	96.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	177.5	175.2	67.7	0	0	0	0	111.5	E976 G977 I978 E1043 M1045 L1060	T974-E976 PolarHBondContact O-N 2.68Å; T974-E976 PolarHBondContact OG1-N 3.18Å; T974-G977 PolarHBondContact O-N 3.29Å; T974-I978 HydrophobicContact CG2-CB 4.25Å; T974-I978 PolarHBondContact N-O 3.2Å; T974-I978 WeakPolarHBondContact OG1-CB 3.5Å; T974-I978 PolarHBondContact OG1-N 2.7Å; T974-E1043 VanDerWaalsContact CG2-OE2 3.24Å; T974-E1043 WeakPolarHBondContact CG2-OE2 3.38Å; T974-M1045 HydrophobicContact CG2-CE 4.41Å; T974-M1045 HydrophobicContact CG2-CG 4.25Å; T974-L1060 HydrophobicContact CG2-CD2 3.41Å; T974-L1060 VanDerWaalsContact CG2-CD2 3.41Å
975	C	92.5	Very high	96.4	Very high	101 Å²	101	43 Å²	43	68%	0.682	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.6	173	53.7	0	0	0	0	114.1	Y1046	C975-Y1046 HydrophobicContact CB-CE2 4.39Å
976	E	92	Very high	96.3	Very high	121 Å²	121	41 Å²	41	57%	0.565	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-6.5	177.3	-61.1	179.8	170.3	0	0	112.7	T974 I978	T974-E976 PolarHBondContact O-N 2.68Å; T974-E976 PolarHBondContact OG1-N 3.18Å; E976-I978 HydrophobicContact CB-CD1 4.47Å; E976-I978 HydrophobicContact CB-CG1 4.27Å; E976-I978 WeakPolarHBondContact OE2-CD1 3.39Å
977	G	93.4	Very high	96.2	Very high	40 Å²	40	46.1 Å²	46.1	41%	0.412	24%	0.239	S	C	.	.			trans	83.1	14.2	-175.2	0	0	0	0	0	114.3	T974 T979	T974-G977 PolarHBondContact O-N 3.29Å; G977-T979 PolarHBondContact O-N 3.01Å
978	I	95.7	Very high	96	Very high	61 Å²	61	41.4 Å²	41.4	31%	0.313	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-71.8	120.5	173.3	-59.1	174.1	0	0	0	108.6	I796 F973 T974 E976	I796-I978 HydrophobicContact CG2-CG2 4.24Å; F973-I978 WeakPolarHBondContact CA-O 3.35Å; T974-I978 HydrophobicContact CG2-CB 4.25Å; T974-I978 PolarHBondContact N-O 3.2Å; T974-I978 WeakPolarHBondContact OG1-CB 3.5Å; T974-I978 PolarHBondContact OG1-N 2.7Å; E976-I978 HydrophobicContact CB-CD1 4.47Å; E976-I978 HydrophobicContact CB-CG1 4.27Å; E976-I978 WeakPolarHBondContact OE2-CD1 3.39Å
979	T	97.3	Very high	95.8	Very high	17 Å²	17	39 Å²	39	10%	0.104	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-100.7	137.7	170	55.8	0	0	0	0	109.7	N814 Q968 M971 F973 G977	N814-T979 PolarHBondContact ND2-OG1 3.4Å; Q968-T979 HydrophobicContact CG-CG2 3.84Å; M971-T979 HydrophobicContact CB-CG2 4.1Å; F973-T979 HydrophobicContact CB-CG2 3.91Å; G977-T979 PolarHBondContact O-N 3.01Å
980	P	97.6	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-66.6	150.3	177.5	25.5	-27.7	0	0	0	111.1	I796 A798 N814 M971 P972 I983 M1045 L1060	I796-P980 HydrophobicContact CG2-CB 4.36Å; A798-P980 HydrophobicContact CB-CB 3.77Å; A798-P980 HydrophobicContact CB-CG 3.85Å; N814-P980 PolarHBondContact ND2-O 2.72Å; M971-P980 HydrophobicContact CE-CG 3.86Å; M971-P980 WeakPolarHBondContact CE-O 3.2Å; P972-P980 HydrophobicContact CG-CG 4.23Å; P972-P980 WeakPolarHBondContact O-CD 3.37Å; P980-I983 HydrophobicContact CB-CG1 4.39Å; P980-I983 HydrophobicContact CG-CD1 4.18Å; P980-I983 HydrophobicContact CG-CG1 3.85Å; P980-M1045 HydrophobicContact CG-CE 4.25Å; P980-L1060 HydrophobicContact CB-CD1 4.07Å
981	D	97.6	Very high	95.6	Very high	30 Å²	30	41.3 Å²	41.3	16%	0.16	24%	0.243	C	C	.	.	S	Bend	trans	-81	-35	171.2	-62.3	-50.6	0	0	0	110.7	A795 I796 I813 N814 F822	A795-D981 HydrophobicContact CB-CB 4.28Å; I796-D981 PolarHBondContact N-OD2 2.89Å; I796-D981 PolarHBondContact O-N 2.89Å; I813-D981 CarbonylContact C-O 3.55Å; I813-D981 WeakPolarHBondContact CA-O 3.42Å; N814-D981 PolarHBondContact N-O 2.84Å; F822-D981 HydrophobicContact CE1-CB 4.19Å; F822-D981 HydrophobicContact CE2-CB 4.31Å; F822-D981 HydrophobicContact CZ-CB 3.86Å
982	I	97.2	Very high	95.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.2	-179	-58.4	-179.8	0	0	0	109.7	A795 I796 V797 A798 V811 I812 I813 F822 I984 Y1065	A795-I982 HydrophobicContact CB-CD1 4.09Å; A795-I982 HydrophobicContact CB-CG1 4.41Å; I796-I982 PolarHBondContact O-N 2.79Å; V797-I982 WeakPolarHBondContact CA-O 3.48Å; V797-I982 HydrophobicContact CG2-CB 4.43Å; A798-I982 PolarHBondContact N-O 3.13Å; V811-I982 HydrophobicContact CB-CG2 3.93Å; V811-I982 HydrophobicContact CG1-CG2 4.32Å; V811-I982 HydrophobicContact CG2-CG2 4.35Å; I812-I982 CarbonylContact O-C 3.44Å; I812-I982 VanDerWaalsContact O-CA 3.31Å; I812-I982 WeakPolarHBondContact O-CA 3.43Å; I813-I982 HydrophobicContact CG1-CG1 4.46Å; F822-I982 HydrophobicContact CE1-CD1 4.29Å; F822-I982 HydrophobicContact CE1-CG1 4.2Å; F822-I982 HydrophobicContact CZ-CD1 4.11Å; F822-I982 HydrophobicContact CZ-CG1 4.23Å; I982-I984 HydrophobicContact CG2-CG2 3.96Å; I982-Y1065 HydrophobicContact CD1-CD1 3.69Å; I982-Y1065 HydrophobicContact CD1-CE1 4.14Å; I982-Y1065 HydrophobicContact CD1-CG 3.95Å
983	I	97.7	Very high	95.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.8	169.1	-46.8	176.4	0	0	0	109.1	A798 A800 Y802 I812 M971 P972 P980	A798-I983 HydrophobicContact CB-CG1 4.33Å; A798-I983 HydrophobicContact CB-CG2 4.36Å; A798-I983 CarbonylContact O-C 3.53Å; A798-I983 WeakPolarHBondContact O-CA 3.1Å; A800-I983 HydrophobicContact CB-CG2 4Å; A800-I983 WeakPolarHBondContact O-CG2 3.12Å; Y802-I983 HydrophobicContact CD1-CD1 3.99Å; Y802-I983 HydrophobicContact CG-CD1 4.27Å; I812-I983 HydrophobicContact CB-CB 4.13Å; I812-I983 HydrophobicContact CG2-CD1 4.33Å; I812-I983 PolarHBondContact N-O 3.17Å; I812-I983 VanDerWaalsContact N-O 3.14Å; I812-I983 PolarHBondContact O-N 2.93Å; M971-I983 HydrophobicContact CE-CD1 3.85Å; M971-I983 HydrophobicContact CE-CG1 3.92Å; M971-I983 HydrophobicContact SD-CD1 4.19Å; P972-I983 HydrophobicContact CG-CD1 3.8Å; P980-I983 HydrophobicContact CB-CG1 4.39Å; P980-I983 HydrophobicContact CG-CD1 4.18Å; P980-I983 HydrophobicContact CG-CG1 3.85Å
984	I	96.6	Very high	95.2	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	152.8	174.9	70.1	175.6	0	0	0	110.8	V797 A798 I799 A800 V811 I982 H997 Y1065	V797-I984 HydrophobicContact CG1-CD1 4.11Å; V797-I984 HydrophobicContact CG1-CG1 4.08Å; V797-I984 HydrophobicContact CG1-CG2 4.12Å; A798-I984 PolarHBondContact O-N 2.9Å; I799-I984 HydrophobicContact CB-CG1 4.21Å; I799-I984 HydrophobicContact CD1-CD1 3.99Å; I799-I984 HydrophobicContact CD1-CG1 4.47Å; I799-I984 HydrophobicContact CG1-CD1 3.77Å; I799-I984 HydrophobicContact CG1-CG1 3.74Å; I799-I984 HydrophobicContact CG2-CG1 4.22Å; A800-I984 PolarHBondContact N-O 3.32Å; V811-I984 HydrophobicContact CG1-CG2 3.89Å; I982-I984 HydrophobicContact CG2-CG2 3.96Å; I984-H997 VanDerWaalsContact CD1-CE1 3.43Å; I984-H997 WeakPolarHBondContact CD1-CE1 3.27Å; I984-Y1065 WeakPolarHBondContact CG2-OH 3.35Å
985	N	96.3	Very high	95.2	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.064	27%	0.274	C	S	.	.			trans	-81.5	132.2	179.8	-171.8	-41.7	0	0	0	111.8	N806 H987 A988	N806-N985 HydrophobicContact CB-CB 4.37Å; N806-N985 WeakPolarHBondContact O-CB 3.35Å; N985-H987 PolarHBondContact O-N 3.06Å; N985-H987 VanDerWaalsContact O-N 3.17Å; N985-H987 WeakPolarHBondContact OD1-CB 3.31Å; N985-H987 PolarHBondContact OD1-CD2 3.35Å; N985-H987 PolarHBondContact OD1-N 2.89Å; N985-A988 WeakPolarHBondContact O-CB 3.26Å; N985-A988 PolarHBondContact O-N 2.77Å; N985-A988 VanDerWaalsContact O-N 3.13Å
986	P	95.6	Very high	95.4	Very high	42 Å²	42	42.7 Å²	42.7	27%	0.273	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-53.5	-32.4	176.1	-25.3	31.2	0	0	0	114.5	I799 A800 T801 A988 I989 P990	I799-P986 HydrophobicContact CG2-CB 4.12Å; I799-P986 HydrophobicContact CG2-CG 4.01Å; A800-P986 VanDerWaalsContact C-CD 3.42Å; T801-P986 HydrophobicContact CG2-CG 4.19Å; P986-A988 PolarHBondContact O-N 3.01Å; P986-A988 VanDerWaalsContact O-N 3.09Å; P986-I989 PolarHBondContact O-N 3.42Å; P986-P990 WeakPolarHBondContact O-CD 3.43Å
987	H	95.3	Very high	95.6	Very high	140 Å²	140	37 Å²	37	65%	0.648	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-64.6	-14.4	-179	-66.7	-63.5	0	0	0	114	N985 I989	N985-H987 PolarHBondContact O-N 3.06Å; N985-H987 VanDerWaalsContact O-N 3.17Å; N985-H987 WeakPolarHBondContact OD1-CB 3.31Å; N985-H987 PolarHBondContact OD1-CD2 3.35Å; N985-H987 PolarHBondContact OD1-N 2.89Å; H987-I989 PolarHBondContact O-N 2.86Å
988	A	93.4	Very high	95.7	Very high	19 Å²	19	37.2 Å²	37.2	16%	0.157	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-71.4	-15.4	172.9	0	0	0	0	0	113.4	N985 P986 R992	N985-A988 WeakPolarHBondContact O-CB 3.26Å; N985-A988 PolarHBondContact O-N 2.77Å; N985-A988 VanDerWaalsContact O-N 3.13Å; P986-A988 PolarHBondContact O-N 3.01Å; P986-A988 VanDerWaalsContact O-N 3.09Å; A988-R992 VanDerWaalsContact O-CB 3.27Å; A988-R992 WeakPolarHBondContact O-CB 3.01Å; A988-R992 WeakPolarHBondContact O-CD 3.37Å; A988-R992 WeakPolarHBondContact O-CG 3.46Å
989	I	94	Very high	95.8	Very high	17 Å²	17	34.7 Å²	34.7	9%	0.087	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-53.8	-176.6	-51.2	-57.7	0	0	0	113	P986 H987 S991 R992 M993 L998	P986-I989 PolarHBondContact O-N 3.42Å; H987-I989 PolarHBondContact O-N 2.86Å; I989-S991 PolarHBondContact O-N 3.3Å; I989-R992 PolarHBondContact O-N 3.11Å; I989-R992 VanDerWaalsContact O-N 3.13Å; I989-M993 PolarHBondContact O-N 3.24Å; I989-L998 HydrophobicContact CD1-CD2 4.44Å; I989-L998 HydrophobicContact CG1-CD2 4.48Å; I989-L998 HydrophobicContact CG2-CD1 4.16Å
990	P	94.6	Very high	95.8	Very high	98 Å²	98	34 Å²	34	64%	0.636	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-42.1	-168.2	-25.4	35.3	0	0	0	114.1	P986 R992 M993	P986-P990 WeakPolarHBondContact O-CD 3.43Å; P990-R992 VanDerWaalsContact C-N 3.32Å; P990-R992 PolarHBondContact O-N 3.12Å; P990-M993 WeakPolarHBondContact O-CG 3.49Å
991	S	92.7	Very high	95.7	Very high	90 Å²	90	34.1 Å²	34.1	63%	0.629	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-21.4	-179.5	61	0	0	0	0	113.4	I989	I989-S991 PolarHBondContact O-N 3.3Å
992	R	93.4	Very high	95.7	Very high	30 Å²	30	33.4 Å²	33.4	11%	0.113	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-21.7	-175.2	-57	-163.5	164.6	169.5	-6.4	113.3	D809 A988 I989 P990 T994	D809-R992 IonicContact OD1-CZ 2.61Å; D809-R992 IonicContact OD1-NH1 2.97Å; D809-R992 PolarHBondContact OD1-NH1 3.45Å; D809-R992 IonicContact OD1-NH2 2.88Å; D809-R992 PolarHBondContact OD1-NH2 3.36Å; D809-R992 IonicContact OD2-CZ 3.55Å; D809-R992 IonicContact OD2-NH1 3.12Å; D809-R992 IonicContact OD2-NH2 2.81Å; D809-R992 PolarHBondContact OD2-NH2 2.76Å; A988-R992 VanDerWaalsContact O-CB 3.27Å; A988-R992 WeakPolarHBondContact O-CB 3.01Å; A988-R992 WeakPolarHBondContact O-CD 3.37Å; A988-R992 WeakPolarHBondContact O-CG 3.46Å; I989-R992 PolarHBondContact O-N 3.11Å; I989-R992 VanDerWaalsContact O-N 3.13Å; P990-R992 VanDerWaalsContact C-N 3.32Å; P990-R992 PolarHBondContact O-N 3.12Å; R992-T994 HydrophobicContact CB-CG2 4.02Å; R992-T994 PolarHBondContact O-N 3.17Å
993	M	96	Very high	95.6	Very high	95 Å²	95	34 Å²	34	47%	0.468	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	42.1	-178.9	-57.9	-178.6	-66	0	0	112.4	Q735 I989 P990 I995	Q735-M993 HydrophobicContact CB-CB 4.49Å; Q735-M993 HydrophobicContact CB-CE 4.44Å; Q735-M993 VanDerWaalsContact CD-CE 3.5Å; Q735-M993 HydrophobicContact CG-CE 3.97Å; I989-M993 PolarHBondContact O-N 3.24Å; P990-M993 WeakPolarHBondContact O-CG 3.49Å; M993-I995 VanDerWaalsContact C-N 3.28Å; M993-I995 PolarHBondContact O-N 2.78Å; M993-I995 VanDerWaalsContact O-N 3.14Å
994	T	95	Very high	95.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-86.9	68.2	176.6	52.2	0	0	0	0	109.6	R738 H956 Q958 R992 G996 H997	R738-T994 HydrophobicContact CB-CG2 4.1Å; R738-T994 HydrophobicContact CG-CG2 3.67Å; H956-T994 HydrophobicContact CB-CG2 4.31Å; H956-T994 WeakPolarHBondContact O-CG2 3.46Å; Q958-T994 HydrophobicContact CG-CG2 4.29Å; Q958-T994 PolarHBondContact NE2-OG1 2.95Å; R992-T994 HydrophobicContact CB-CG2 4.02Å; R992-T994 PolarHBondContact O-N 3.17Å; T994-G996 VanDerWaalsContact C-N 3.27Å; T994-G996 PolarHBondContact O-N 2.72Å; T994-H997 WeakPolarHBondContact O-CB 3.45Å; T994-H997 PolarHBondContact O-N 3.13Å
995	I	96.4	Very high	95.5	Very high	78 Å²	78	34.2 Å²	34.2	40%	0.4	19%	0.189	S	C	.	.	H	α-helix	trans	-68.7	-31.8	-177.3	-56.2	-56.1	0	0	0	110.9	M993 H997 L998 I999	M993-I995 VanDerWaalsContact C-N 3.28Å; M993-I995 PolarHBondContact O-N 2.78Å; M993-I995 VanDerWaalsContact O-N 3.14Å; I995-H997 PolarHBondContact O-N 3.02Å; I995-H997 VanDerWaalsContact O-N 3.1Å; I995-L998 HydrophobicContact CD1-CD1 4.43Å; I995-L998 WeakPolarHBondContact O-CB 3.04Å; I995-L998 PolarHBondContact O-N 3.14Å; I995-I999 HydrophobicContact CG2-CD1 4.12Å; I995-I999 HydrophobicContact CG2-CG1 4.31Å; I995-I999 PolarHBondContact O-N 2.97Å; I995-I999 VanDerWaalsContact O-N 3.09Å
996	G	95.5	Very high	95.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-52.4	-32.9	172.8	0	0	0	0	0	113.5	H733 N734 H956 T994 I999 E1000	H733-G996 PolarHBondContact O-N 2.86Å; N734-G996 WeakPolarHBondContact OD1-CA 3.16Å; N734-G996 PolarHBondContact OD1-N 3.35Å; N734-G996 VanDerWaalsContact OD1-N 3.16Å; H956-G996 PolarHBondContact CE1-O 2.64Å; H956-G996 PolarHBondContact NE2-O 2.89Å; T994-G996 VanDerWaalsContact C-N 3.27Å; T994-G996 PolarHBondContact O-N 2.72Å; G996-I999 PolarHBondContact O-N 2.72Å; G996-E1000 WeakPolarHBondContact O-CB 3.38Å; G996-E1000 PolarHBondContact O-N 3.34Å
997	H	96.6	Very high	95.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-38.2	177	-174.5	-169.3	0	0	0	112.4	H956 Q958 I984 T994 I995 C1001	H956-H997 HydrophobicContact CB-CB 4.02Å; H956-H997 WeakPolarHBondContact CD2-CA 3.4Å; H956-H997 PolarHBondContact CE1-N 2.68Å; H956-H997 VanDerWaalsContact CE1-N 3.32Å; H956-H997 PolarHBondContact ND1-N 3.47Å; H956-H997 WeakPolarHBondContact NE2-CA 3.34Å; H956-H997 PolarHBondContact NE2-N 3.46Å; Q958-H997 PolarHBondContact NE2-ND1 3.08Å; Q958-H997 PolarHBondContact OE1-CE1 3.29Å; Q958-H997 PolarHBondContact OE1-ND1 2.81Å; Q958-H997 VanDerWaalsContact OE1-ND1 3.08Å; I984-H997 VanDerWaalsContact CD1-CE1 3.43Å; I984-H997 WeakPolarHBondContact CD1-CE1 3.27Å; T994-H997 WeakPolarHBondContact O-CB 3.45Å; T994-H997 PolarHBondContact O-N 3.13Å; I995-H997 PolarHBondContact O-N 3.02Å; I995-H997 VanDerWaalsContact O-N 3.1Å; H997-C1001 PolarHBondContact O-N 2.75Å
998	L	96.4	Very high	95.5	Very high	45 Å²	45	27.7 Å²	27.7	24%	0.236	17%	0.165	C	C	.	.	H	α-helix	trans	-69.7	-41.2	175.9	-58	-179.4	0	0	0	110.5	I799 I989 I995 C1001 L1002 F1059	I799-L998 HydrophobicContact CD1-CD2 3.37Å; I989-L998 HydrophobicContact CD1-CD2 4.44Å; I989-L998 HydrophobicContact CG1-CD2 4.48Å; I989-L998 HydrophobicContact CG2-CD1 4.16Å; I995-L998 HydrophobicContact CD1-CD1 4.43Å; I995-L998 WeakPolarHBondContact O-CB 3.04Å; I995-L998 PolarHBondContact O-N 3.14Å; L998-C1001 WeakPolarHBondContact O-CB 3.37Å; L998-C1001 PolarHBondContact O-N 3.11Å; L998-L1002 PolarHBondContact O-N 3.27Å; L998-F1059 HydrophobicContact CB-CZ 4.38Å; L998-F1059 HydrophobicContact CD2-CD1 4.39Å; L998-F1059 HydrophobicContact CD2-CE1 4Å; L998-F1059 HydrophobicContact CD2-CZ 4.46Å
999	I	96.3	Very high	95.6	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.041	17%	0.173	C	C	.	.	H	α-helix	trans	-64.8	-41.8	177	-57.3	173.6	0	0	0	110.4	F730 H733 I995 G996 C1001 L1002 Q1003 V1025 I1028	F730-I999 HydrophobicContact CD1-CG2 4.48Å; F730-I999 HydrophobicContact CD2-CB 4.15Å; F730-I999 HydrophobicContact CD2-CG2 3.68Å; F730-I999 HydrophobicContact CE1-CG2 4.38Å; F730-I999 HydrophobicContact CE2-CB 4.43Å; F730-I999 HydrophobicContact CE2-CG2 3.57Å; F730-I999 HydrophobicContact CG-CG2 4.16Å; F730-I999 HydrophobicContact CZ-CG2 3.93Å; H733-I999 HydrophobicContact CB-CD1 4.05Å; I995-I999 HydrophobicContact CG2-CD1 4.12Å; I995-I999 HydrophobicContact CG2-CG1 4.31Å; I995-I999 PolarHBondContact O-N 2.97Å; I995-I999 VanDerWaalsContact O-N 3.09Å; G996-I999 PolarHBondContact O-N 2.72Å; I999-C1001 VanDerWaalsContact C-N 3.28Å; I999-C1001 PolarHBondContact O-N 3.31Å; I999-L1002 PolarHBondContact O-N 3.28Å; I999-Q1003 WeakPolarHBondContact O-CB 3.29Å; I999-Q1003 PolarHBondContact O-N 2.7Å; I999-V1025 HydrophobicContact CD1-CG2 3.99Å; I999-V1025 HydrophobicContact CG1-CG2 4.04Å; I999-I1028 HydrophobicContact CG2-CD1 4.14Å
1000	E	97.1	Very high	95.7	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.009	19%	0.187	C	C	.	.	H	α-helix	trans	-56.3	-44.4	174.3	-174.8	-173.3	171.5	0	0	110.9	P729 V776 R955 H956 G996 G1004 T1063 Y1064	P729-E1000 HydrophobicContact CG-CB 4.25Å; P729-E1000 HydrophobicContact CG-CG 4.03Å; P729-E1000 WeakPolarHBondContact CG-OE2 3.49Å; V776-E1000 HydrophobicContact CB-CG 4.07Å; V776-E1000 HydrophobicContact CG1-CG 4.14Å; V776-E1000 HydrophobicContact CG2-CG 4.26Å; R955-E1000 IonicContact CZ-OE1 2.8Å; R955-E1000 IonicContact NE-OE1 3.72Å; R955-E1000 PolarHBondContact NE-OE1 3.14Å; R955-E1000 IonicContact NE-OE2 2.94Å; R955-E1000 VanDerWaalsContact NH2-CD 3.27Å; R955-E1000 IonicContact NH2-OE1 2.89Å; R955-E1000 PolarHBondContact NH2-OE1 3.1Å; R955-E1000 IonicContact NH2-OE2 3.27Å; H956-E1000 IonicContact CD2-OE2 3.51Å; H956-E1000 PolarHBondContact CD2-OE2 3.02Å; H956-E1000 VanDerWaalsContact CD2-OE2 3.31Å; H956-E1000 IonicContact NE2-OE2 3.91Å; H956-E1000 PolarHBondContact NE2-OE2 3.43Å; G996-E1000 WeakPolarHBondContact O-CB 3.38Å; G996-E1000 PolarHBondContact O-N 3.34Å; E1000-G1004 WeakPolarHBondContact O-CA 3.15Å; E1000-G1004 PolarHBondContact O-N 3.11Å; E1000-T1063 HydrophobicContact CG-CG2 4.39Å; E1000-Y1064 WeakPolarHBondContact OE1-CB 3.33Å; E1000-Y1064 PolarHBondContact OE1-N 3.38Å
1001	C	96.5	Very high	95.7	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-41.5	-180	-169.2	0	0	0	0	112.6	H997 L998 I999 K1005 F1059 G1061	H997-C1001 PolarHBondContact O-N 2.75Å; L998-C1001 WeakPolarHBondContact O-CB 3.37Å; L998-C1001 PolarHBondContact O-N 3.11Å; I999-C1001 VanDerWaalsContact C-N 3.28Å; I999-C1001 PolarHBondContact O-N 3.31Å; C1001-K1005 PolarHBondContact O-N 3.46Å; C1001-K1005 VanDerWaalsContact O-N 3.09Å; C1001-F1059 HydrophobicContact CB-CE1 3.55Å; C1001-F1059 HydrophobicContact CB-CZ 3.91Å; C1001-F1059 WeakPolarHBondContact SG-CE1 3.31Å; C1001-G1061 WeakPolarHBondContact SG-CA 3.37Å; C1001-G1061 PolarHBondContact SG-N 3.35Å; C1001-G1061 VanDerWaalsContact SG-N 3.36Å
1002	L	96.3	Very high	95.7	Very high	16 Å²	16	31 Å²	31	8%	0.084	18%	0.178	C	C	.	.	H	α-helix	trans	-65.4	-51.5	174.7	-73.7	175.2	0	0	0	112.1	L998 I999 G1004 K1005 V1006 V1025 I1028 L1032 F1059	L998-L1002 PolarHBondContact O-N 3.27Å; I999-L1002 PolarHBondContact O-N 3.28Å; L1002-G1004 VanDerWaalsContact C-N 3.27Å; L1002-G1004 PolarHBondContact O-N 2.91Å; L1002-K1005 WeakPolarHBondContact O-CB 2.96Å; L1002-K1005 PolarHBondContact O-N 3.47Å; L1002-K1005 VanDerWaalsContact O-N 3.16Å; L1002-V1006 PolarHBondContact O-N 3.07Å; L1002-V1006 VanDerWaalsContact O-N 3.07Å; L1002-V1025 HydrophobicContact CD1-CG1 4.45Å; L1002-I1028 HydrophobicContact CB-CG2 3.91Å; L1002-L1032 HydrophobicContact CD2-CD2 4.04Å; L1002-F1059 HydrophobicContact CD1-CE2 4.48Å; L1002-F1059 HydrophobicContact CD2-CE2 3.73Å; L1002-F1059 HydrophobicContact CD2-CZ 4.09Å; L1002-F1059 HydrophobicContact CG-CE2 3.91Å; L1002-F1059 HydrophobicContact CG-CZ 3.86Å
1003	Q	96	Very high	95.8	Very high	11 Å²	11	32.2 Å²	32.2	5%	0.051	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-40.8	179	-178.5	57	59.2	0	0	110.5	F730 V776 I999 K1005 V1006 S1007 I1028	F730-Q1003 HydrophobicContact CE2-CB 4.43Å; V776-Q1003 HydrophobicContact CG1-CB 4.32Å; V776-Q1003 HydrophobicContact CG1-CG 4.01Å; V776-Q1003 HydrophobicContact CG2-CB 4.05Å; V776-Q1003 HydrophobicContact CG2-CG 3.91Å; I999-Q1003 WeakPolarHBondContact O-CB 3.29Å; I999-Q1003 PolarHBondContact O-N 2.7Å; Q1003-K1005 VanDerWaalsContact C-N 3.3Å; Q1003-K1005 PolarHBondContact O-N 3.13Å; Q1003-V1006 PolarHBondContact O-N 3.42Å; Q1003-S1007 PolarHBondContact NE2-OG 3.41Å; Q1003-S1007 VanDerWaalsContact NE2-OG 3.11Å; Q1003-S1007 VanDerWaalsContact O-CB 3.25Å; Q1003-S1007 WeakPolarHBondContact O-CB 3.13Å; Q1003-S1007 PolarHBondContact O-N 2.85Å; Q1003-S1007 PolarHBondContact O-OG 3.17Å; Q1003-S1007 VanDerWaalsContact O-OG 3.04Å; Q1003-I1028 HydrophobicContact CB-CD1 4.19Å; Q1003-I1028 VanDerWaalsContact OE1-CD1 3.28Å; Q1003-I1028 VanDerWaalsContact OE1-CG1 3.31Å
1004	G	96.3	Very high	95.7	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-40.1	176.8	0	0	0	0	0	112	V776 E1000 L1002 S1007 A1008 P1062	V776-G1004 VanDerWaalsContact CG2-N 3.3Å; E1000-G1004 WeakPolarHBondContact O-CA 3.15Å; E1000-G1004 PolarHBondContact O-N 3.11Å; L1002-G1004 VanDerWaalsContact C-N 3.27Å; L1002-G1004 PolarHBondContact O-N 2.91Å; G1004-S1007 PolarHBondContact O-N 3.35Å; G1004-A1008 WeakPolarHBondContact O-CB 3.05Å; G1004-A1008 PolarHBondContact O-N 2.93Å; G1004-P1062 VanDerWaalsContact O-CG 3.3Å; G1004-P1062 WeakPolarHBondContact O-CG 3.39Å
1005	K	96.1	Very high	95.6	Very high	11 Å²	11	29.3 Å²	29.3	5%	0.048	17%	0.173	C	C	.	.	H	α-helix	trans	-64.8	-46.7	176.1	-174.4	176.7	-70.3	-177.8	0	111.4	C1001 L1002 Q1003 A1008 N1009 L1032 Y1037 G1041 E1043 L1060	C1001-K1005 PolarHBondContact O-N 3.46Å; C1001-K1005 VanDerWaalsContact O-N 3.09Å; L1002-K1005 WeakPolarHBondContact O-CB 2.96Å; L1002-K1005 PolarHBondContact O-N 3.47Å; L1002-K1005 VanDerWaalsContact O-N 3.16Å; Q1003-K1005 VanDerWaalsContact C-N 3.3Å; Q1003-K1005 PolarHBondContact O-N 3.13Å; K1005-A1008 PolarHBondContact O-N 3.22Å; K1005-N1009 PolarHBondContact O-N 3.39Å; K1005-N1009 VanDerWaalsContact O-N 3.1Å; K1005-N1009 PolarHBondContact O-ND2 3.2Å; K1005-L1032 HydrophobicContact CB-CD1 4.44Å; K1005-L1032 HydrophobicContact CD-CD1 3.62Å; K1005-L1032 HydrophobicContact CD-CD2 4.27Å; K1005-L1032 HydrophobicContact CG-CD1 3.79Å; K1005-Y1037 HydrophobicContact CD-CD1 4.24Å; K1005-Y1037 HydrophobicContact CD-CG 4.46Å; K1005-G1041 PolarHBondContact NZ-O 3.38Å; K1005-E1043 WeakPolarHBondContact CE-OE1 3.21Å; K1005-E1043 IonicContact NZ-OE1 3.75Å; K1005-E1043 PolarHBondContact NZ-OE1 2.84Å; K1005-L1060 WeakPolarHBondContact CE-O 3.42Å; K1005-L1060 PolarHBondContact NZ-O 3.11Å
1006	V	96	Very high	95.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.1	-47	175.1	174.4	0	0	0	0	110.7	L1002 Q1003 A1008 N1009 K1010 I1028 L1031 L1032	L1002-V1006 PolarHBondContact O-N 3.07Å; L1002-V1006 VanDerWaalsContact O-N 3.07Å; Q1003-V1006 PolarHBondContact O-N 3.42Å; V1006-A1008 PolarHBondContact O-N 3.49Å; V1006-N1009 PolarHBondContact O-N 3.36Å; V1006-K1010 WeakPolarHBondContact O-CB 3.46Å; V1006-K1010 PolarHBondContact O-N 3.32Å; V1006-I1028 HydrophobicContact CG2-CG2 3.79Å; V1006-L1031 HydrophobicContact CG1-CB 3.97Å; V1006-L1031 HydrophobicContact CG1-CD1 4.2Å; V1006-L1031 HydrophobicContact CG2-CB 4.46Å; V1006-L1032 HydrophobicContact CG2-CB 3.84Å; V1006-L1032 HydrophobicContact CG2-CD1 4.09Å; V1006-L1032 HydrophobicContact CG2-CG 4.49Å
1007	S	95.9	Very high	95.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-43.4	178.8	-73.5	0	0	0	0	113.2	Q1003 G1004 G1011 E1012 G1014	Q1003-S1007 PolarHBondContact NE2-OG 3.41Å; Q1003-S1007 VanDerWaalsContact NE2-OG 3.11Å; Q1003-S1007 VanDerWaalsContact O-CB 3.25Å; Q1003-S1007 WeakPolarHBondContact O-CB 3.13Å; Q1003-S1007 PolarHBondContact O-N 2.85Å; Q1003-S1007 PolarHBondContact O-OG 3.17Å; Q1003-S1007 VanDerWaalsContact O-OG 3.04Å; G1004-S1007 PolarHBondContact O-N 3.35Å; S1007-G1011 PolarHBondContact O-N 2.82Å; S1007-E1012 CarbonylContact C-O 3.5Å; S1007-E1012 VanDerWaalsContact CA-O 3.32Å; S1007-E1012 WeakPolarHBondContact CA-O 3.18Å; S1007-E1012 WeakPolarHBondContact CB-O 3.45Å; S1007-E1012 PolarHBondContact O-N 3.29Å; S1007-E1012 PolarHBondContact OG-O 3.33Å; S1007-G1014 WeakPolarHBondContact OG-CA 3.13Å; S1007-G1014 PolarHBondContact OG-N 3.15Å
1008	A	96	Very high	95.4	Very high	55 Å²	55	25.8 Å²	25.8	46%	0.455	16%	0.155	S	C	.	.	H	α-helix	trans	-64.4	-41.7	177	0	0	0	0	0	112.3	L775 G1004 K1005 V1006 P1062	L775-A1008 HydrophobicContact CD1-CB 4.21Å; G1004-A1008 WeakPolarHBondContact O-CB 3.05Å; G1004-A1008 PolarHBondContact O-N 2.93Å; K1005-A1008 PolarHBondContact O-N 3.22Å; V1006-A1008 PolarHBondContact O-N 3.49Å; A1008-P1062 HydrophobicContact CB-CG 4.37Å
1009	N	95.4	Very high	95.2	Very high	62 Å²	62	28.4 Å²	28.4	33%	0.332	16%	0.164	S	C	.	.	H	α-helix	trans	-76.3	-36.9	-179.6	-72.4	-33.3	0	0	0	113	K1005 V1006 Y1035 Y1037	K1005-N1009 PolarHBondContact O-N 3.39Å; K1005-N1009 VanDerWaalsContact O-N 3.1Å; K1005-N1009 PolarHBondContact O-ND2 3.2Å; V1006-N1009 PolarHBondContact O-N 3.36Å; N1009-Y1035 HydrophobicContact CB-CD1 4.3Å; N1009-Y1035 HydrophobicContact CB-CD2 4.37Å; N1009-Y1035 HydrophobicContact CB-CG 4.16Å; N1009-Y1037 WeakPolarHBondContact ND2-CE2 3.35Å
1010	K	95.4	Very high	94.7	Very high	88 Å²	88	29.1 Å²	29.1	38%	0.383	17%	0.168	S	C	.	.	H	α-helix	trans	-77.1	-24.6	178.3	-176.6	160.9	172.5	-152.7	0	113.1	V1006 E1012 Y1035	V1006-K1010 WeakPolarHBondContact O-CB 3.46Å; V1006-K1010 PolarHBondContact O-N 3.32Å; K1010-E1012 HydrophobicContact CB-CG 4.25Å; K1010-E1012 VanDerWaalsContact CD-CD 3.43Å; K1010-E1012 HydrophobicContact CD-CG 4.01Å; K1010-E1012 VanDerWaalsContact CD-OE1 3.27Å; K1010-E1012 WeakPolarHBondContact CD-OE1 3.37Å; K1010-E1012 WeakPolarHBondContact CE-OE1 3.24Å; K1010-E1012 WeakPolarHBondContact CE-OE2 3.37Å; K1010-E1012 HydrophobicContact CG-CB 4.47Å; K1010-E1012 HydrophobicContact CG-CG 3.94Å; K1010-E1012 IonicContact NZ-OE1 3.26Å; K1010-E1012 PolarHBondContact NZ-OE1 2.92Å; K1010-E1012 IonicContact NZ-OE2 3.92Å; K1010-E1012 PolarHBondContact NZ-OE2 3.03Å; K1010-Y1035 WeakPolarHBondContact CA-OH 3.33Å; K1010-Y1035 HydrophobicContact CB-CE2 3.96Å; K1010-Y1035 VanDerWaalsContact CB-OH 3.3Å; K1010-Y1035 WeakPolarHBondContact CB-OH 3.49Å; K1010-Y1035 VanDerWaalsContact CG-OH 3.26Å; K1010-Y1035 WeakPolarHBondContact CG-OH 3.42Å
1011	G	94.5	Very high	93.8	Very high	71 Å²	71	36.5 Å²	36.5	73%	0.732	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	20.3	-176.7	0	0	0	0	0	113.9	S1007	S1007-G1011 PolarHBondContact O-N 2.82Å
1012	E	93.7	Very high	92.9	Very high	74 Å²	74	38.1 Å²	38.1	35%	0.346	22%	0.222	S	C	.	.	S	Bend	trans	-116.7	155	177.8	74.5	-178.6	-177.7	0	0	111.8	S1007 K1010	S1007-E1012 CarbonylContact C-O 3.5Å; S1007-E1012 VanDerWaalsContact CA-O 3.32Å; S1007-E1012 WeakPolarHBondContact CA-O 3.18Å; S1007-E1012 WeakPolarHBondContact CB-O 3.45Å; S1007-E1012 PolarHBondContact O-N 3.29Å; S1007-E1012 PolarHBondContact OG-O 3.33Å; K1010-E1012 HydrophobicContact CB-CG 4.25Å; K1010-E1012 VanDerWaalsContact CD-CD 3.43Å; K1010-E1012 HydrophobicContact CD-CG 4.01Å; K1010-E1012 VanDerWaalsContact CD-OE1 3.27Å; K1010-E1012 WeakPolarHBondContact CD-OE1 3.37Å; K1010-E1012 WeakPolarHBondContact CE-OE1 3.24Å; K1010-E1012 WeakPolarHBondContact CE-OE2 3.37Å; K1010-E1012 HydrophobicContact CG-CB 4.47Å; K1010-E1012 HydrophobicContact CG-CG 3.94Å; K1010-E1012 IonicContact NZ-OE1 3.26Å; K1010-E1012 PolarHBondContact NZ-OE1 2.92Å; K1010-E1012 IonicContact NZ-OE2 3.92Å; K1010-E1012 PolarHBondContact NZ-OE2 3.03Å
1013	I	94.8	Very high	92.2	Very high	55 Å²	55	39.1 Å²	39.1	28%	0.282	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-80.5	122.9	170.3	-59.1	-61.3	0	0	0	108.3	L775 A777	L775-I1013 HydrophobicContact CD2-CD1 4.49Å; L775-I1013 WeakPolarHBondContact O-CG2 3.42Å; A777-I1013 HydrophobicContact CB-CG2 3.83Å
1014	G	93.2	Very high	91.9	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	134.8	-179.2	0	0	0	0	0	111.8	L775 A777 S1007	L775-G1014 PolarHBondContact O-N 2.83Å; A777-G1014 PolarHBondContact N-O 3.05Å; S1007-G1014 WeakPolarHBondContact OG-CA 3.13Å; S1007-G1014 PolarHBondContact OG-N 3.15Å
1015	D	94.2	Very high	91.7	Very high	32 Å²	32	45.4 Å²	45.4	17%	0.171	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123	174.1	-168.6	-5.7	0	0	0	110.2	R779 T1017	R779-D1015 IonicContact CZ-OD2 3.47Å; R779-D1015 IonicContact NE-OD2 2.72Å; R779-D1015 PolarHBondContact NE-OD2 3.04Å; R779-D1015 IonicContact NH2-OD2 2.97Å; D1015-T1017 WeakPolarHBondContact OD1-CB 3.38Å; D1015-T1017 PolarHBondContact OD1-N 3.35Å; D1015-T1017 PolarHBondContact OD1-OG1 2.83Å
1016	A	95.4	Very high	91.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.297	C	S	.	.			trans	-121	17.3	-179.5	0	0	0	0	0	113.5	P729 F730 V776 A777	P729-A1016 HydrophobicContact CB-CB 3.5Å; F730-A1016 HydrophobicContact CD2-CB 4.03Å; F730-A1016 HydrophobicContact CE1-CB 4.29Å; F730-A1016 HydrophobicContact CE2-CB 3.66Å; F730-A1016 HydrophobicContact CG-CB 4.49Å; F730-A1016 HydrophobicContact CZ-CB 3.82Å; F730-A1016 PolarHBondContact N-O 3.44Å; F730-A1016 VanDerWaalsContact N-O 3.11Å; V776-A1016 HydrophobicContact CG1-CB 3.46Å; V776-A1016 VanDerWaalsContact CG1-CB 3.46Å; A777-A1016 PolarHBondContact O-N 2.83Å
1017	T	94.9	Very high	91.4	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.018	32%	0.319	C	S	.	.			trans	-57.7	131.5	178.9	-59.4	0	0	0	0	110.1	W45 R779 D1015 N1020	W45-T1017 HydrophobicContact CH2-CG2 4.04Å; W45-T1017 HydrophobicContact CZ2-CG2 3.49Å; W45-T1017 VanDerWaalsContact CZ2-CG2 3.49Å; R779-T1017 PolarHBondContact N-OG1 3.24Å; D1015-T1017 WeakPolarHBondContact OD1-CB 3.38Å; D1015-T1017 PolarHBondContact OD1-N 3.35Å; D1015-T1017 PolarHBondContact OD1-OG1 2.83Å; T1017-N1020 WeakPolarHBondContact O-CB 3.45Å
1018	P	93.9	Very high	91.3	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.013	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	155.2	178.9	26.7	-33.4	0	0	0	111.8	L721 P731 N1020	L721-P1018 HydrophobicContact CD1-CG 3.98Å; P731-P1018 HydrophobicContact CG-CB 3.77Å; P731-P1018 HydrophobicContact CG-CG 3.98Å; P1018-N1020 VanDerWaalsContact C-N 3.28Å; P1018-N1020 PolarHBondContact O-N 3.01Å
1019	F	91.3	Very high	91.2	Very high	100 Å²	100	57.7 Å²	57.7	44%	0.439	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	34.4	177.8	-40.9	-68.7	0	0	0	113.6	P717 I720 D732	P717-F1019 HydrophobicContact CB-CB 4.4Å; P717-F1019 HydrophobicContact CB-CD2 3.7Å; P717-F1019 HydrophobicContact CB-CE2 4.25Å; P717-F1019 HydrophobicContact CB-CG 4.19Å; I720-F1019 HydrophobicContact CD1-CE2 4.44Å; D732-F1019 HydrophobicContact CB-CD1 4.42Å; D732-F1019 HydrophobicContact CB-CE1 4.02Å; D732-F1019 HydrophobicContact CB-CZ 4.49Å; D732-F1019 PolarHBondContact OD2-N 2.94Å
1020	N	85.5	Confident	91.2	Very high	23 Å²	23	58.9 Å²	58.9	12%	0.123	31%	0.311	C	S	.	.			trans	-105.7	109.6	177.6	-177.5	0.8	0	0	0	110.9	Q41 T1017 P1018 A1022	Q41-N1020 PolarHBondContact NE2-ND2 3.18Å; Q41-N1020 VanDerWaalsContact NE2-ND2 3.18Å; Q41-N1020 PolarHBondContact NE2-OD1 3.41Å; T1017-N1020 WeakPolarHBondContact O-CB 3.45Å; P1018-N1020 VanDerWaalsContact C-N 3.28Å; P1018-N1020 PolarHBondContact O-N 3.01Å; N1020-A1022 VanDerWaalsContact C-N 3.26Å; N1020-A1022 PolarHBondContact O-N 3.42Å; N1020-A1022 WeakPolarHBondContact OD1-CB 3.41Å; N1020-A1022 PolarHBondContact OD1-N 2.83Å
1021	D	78.4	Confident	91.2	Very high	158 Å²	158	56.5 Å²	56.5	85%	0.845	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.4	179	-67.1	-29.5	0	0	0	113.5	V1023	D1021-V1023 PolarHBondContact O-N 3.34Å
1022	A	77	Confident	91.1	Very high	36 Å²	36	53.1 Å²	53.1	30%	0.298	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-16.7	-178.8	0	0	0	0	0	113.4	N1020 K1027	N1020-A1022 VanDerWaalsContact C-N 3.26Å; N1020-A1022 PolarHBondContact O-N 3.42Å; N1020-A1022 WeakPolarHBondContact OD1-CB 3.41Å; N1020-A1022 PolarHBondContact OD1-N 2.83Å; A1022-K1027 VanDerWaalsContact O-CD 3.3Å; A1022-K1027 WeakPolarHBondContact O-CD 3.5Å; A1022-K1027 PolarHBondContact O-NZ 2.94Å
1023	V	83	Confident	91.2	Very high	36 Å²	36	55 Å²	55	22%	0.218	28%	0.276	C	S	.	.			trans	-121.8	106.2	-179.9	-178.4	0	0	0	0	109.1	F730 D1021 I1028	F730-V1023 HydrophobicContact CE1-CG1 4.24Å; F730-V1023 HydrophobicContact CZ-CG1 4.22Å; D1021-V1023 PolarHBondContact O-N 3.34Å; V1023-I1028 HydrophobicContact CG1-CD1 3.98Å; V1023-I1028 HydrophobicContact CG1-CG1 4.33Å
1024	N	88.4	Confident	91.2	Very high	81 Å²	81	59.4 Å²	59.4	43%	0.433	30%	0.295	S	S	.	.			trans	-125.9	160.9	173.5	63.8	41.3	0	0	0	110.7	R1026 K1027 I1028	N1024-R1026 PolarHBondContact O-N 2.89Å; N1024-R1026 WeakPolarHBondContact OD1-CB 3.33Å; N1024-R1026 PolarHBondContact OD1-N 2.83Å; N1024-K1027 PolarHBondContact O-N 3.27Å; N1024-K1027 VanDerWaalsContact O-N 3.15Å; N1024-K1027 WeakPolarHBondContact OD1-CB 3.1Å; N1024-K1027 PolarHBondContact OD1-N 2.94Å; N1024-I1028 WeakPolarHBondContact O-CG1 3.25Å; N1024-I1028 PolarHBondContact O-N 3.02Å; N1024-I1028 VanDerWaalsContact O-N 3.16Å
1025	V	92.3	Very high	91.3	Very high	64 Å²	64	63.9 Å²	63.9	39%	0.388	31%	0.312	S	S	.	.	H	α-helix	trans	-56.5	-36.1	-178.4	-178.9	0	0	0	0	111.5	I999 L1002 I1028 S1029	I999-V1025 HydrophobicContact CD1-CG2 3.99Å; I999-V1025 HydrophobicContact CG1-CG2 4.04Å; L1002-V1025 HydrophobicContact CD1-CG1 4.45Å; V1025-I1028 PolarHBondContact O-N 3.43Å; V1025-S1029 WeakPolarHBondContact O-CB 3.49Å; V1025-S1029 PolarHBondContact O-N 2.68Å; V1025-S1029 PolarHBondContact O-OG 3.4Å
1026	R	93.5	Very high	91.2	Very high	196 Å²	196	65.7 Å²	65.7	74%	0.74	34%	0.338	S	S	*	.	H	α-helix	trans	-63.2	-44.5	179.6	-175.2	177.8	-179.4	179.1	-0.3	112.1	N1024 S1029 L1030	N1024-R1026 PolarHBondContact O-N 2.89Å; N1024-R1026 WeakPolarHBondContact OD1-CB 3.33Å; N1024-R1026 PolarHBondContact OD1-N 2.83Å; R1026-S1029 PolarHBondContact O-N 2.97Å; R1026-L1030 HydrophobicContact CG-CD1 4.45Å; R1026-L1030 WeakPolarHBondContact O-CG 3.13Å; R1026-L1030 PolarHBondContact O-N 3.46Å
1027	K	92.3	Very high	91.1	Very high	105 Å²	105	68.1 Å²	68.1	46%	0.457	35%	0.348	S	S	.	.	H	α-helix	trans	-64.3	-43.2	177.3	-172.8	175.9	178.5	178.4	0	110.9	A1022 N1024 S1029 L1030 L1031	A1022-K1027 VanDerWaalsContact O-CD 3.3Å; A1022-K1027 WeakPolarHBondContact O-CD 3.5Å; A1022-K1027 PolarHBondContact O-NZ 2.94Å; N1024-K1027 PolarHBondContact O-N 3.27Å; N1024-K1027 VanDerWaalsContact O-N 3.15Å; N1024-K1027 WeakPolarHBondContact OD1-CB 3.1Å; N1024-K1027 PolarHBondContact OD1-N 2.94Å; K1027-S1029 VanDerWaalsContact C-N 3.33Å; K1027-S1029 PolarHBondContact O-N 3.19Å; K1027-L1030 PolarHBondContact O-N 3.16Å; K1027-L1031 HydrophobicContact CG-CD1 4.43Å; K1027-L1031 WeakPolarHBondContact O-CG 3.49Å; K1027-L1031 PolarHBondContact O-N 3.25Å
1028	I	94.1	Very high	91.1	Very high	4 Å²	4	72 Å²	72	2%	0.021	37%	0.366	C	S	.	.	H	α-helix	trans	-60.4	-44.8	175.2	-59.8	171	0	0	0	110.5	I999 L1002 Q1003 V1006 V1023 N1024 V1025 L1030 L1031 L1032	I999-I1028 HydrophobicContact CG2-CD1 4.14Å; L1002-I1028 HydrophobicContact CB-CG2 3.91Å; Q1003-I1028 HydrophobicContact CB-CD1 4.19Å; Q1003-I1028 VanDerWaalsContact OE1-CD1 3.28Å; Q1003-I1028 VanDerWaalsContact OE1-CG1 3.31Å; V1006-I1028 HydrophobicContact CG2-CG2 3.79Å; V1023-I1028 HydrophobicContact CG1-CD1 3.98Å; V1023-I1028 HydrophobicContact CG1-CG1 4.33Å; N1024-I1028 WeakPolarHBondContact O-CG1 3.25Å; N1024-I1028 PolarHBondContact O-N 3.02Å; N1024-I1028 VanDerWaalsContact O-N 3.16Å; V1025-I1028 PolarHBondContact O-N 3.43Å; I1028-L1030 PolarHBondContact O-N 2.85Å; I1028-L1031 PolarHBondContact O-N 2.95Å; I1028-L1032 WeakPolarHBondContact O-CB 3.06Å; I1028-L1032 PolarHBondContact O-N 2.9Å
1029	S	94	Very high	91	Very high	20 Å²	20	75.5 Å²	75.5	14%	0.14	38%	0.382	C	S	.	.	H	α-helix	trans	-62.3	-40.7	177.9	-74	0	0	0	0	113.5	V1025 R1026 K1027 L1032 Q1033 H1039	V1025-S1029 WeakPolarHBondContact O-CB 3.49Å; V1025-S1029 PolarHBondContact O-N 2.68Å; V1025-S1029 PolarHBondContact O-OG 3.4Å; R1026-S1029 PolarHBondContact O-N 2.97Å; K1027-S1029 VanDerWaalsContact C-N 3.33Å; K1027-S1029 PolarHBondContact O-N 3.19Å; S1029-L1032 PolarHBondContact O-N 3.06Å; S1029-Q1033 PolarHBondContact O-N 3.13Å; S1029-H1039 WeakPolarHBondContact CA-O 3.33Å; S1029-H1039 WeakPolarHBondContact CB-O 3.3Å; S1029-H1039 PolarHBondContact OG-O 3.37Å
1030	L	95.2	Very high	91.1	Very high	87 Å²	87	73.3 Å²	73.3	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-65.6	-47.6	176.3	-71.8	171.2	0	0	0	111.3	R1026 K1027 I1028 L1032 Q1033 E1034	R1026-L1030 HydrophobicContact CG-CD1 4.45Å; R1026-L1030 WeakPolarHBondContact O-CG 3.13Å; R1026-L1030 PolarHBondContact O-N 3.46Å; K1027-L1030 PolarHBondContact O-N 3.16Å; I1028-L1030 PolarHBondContact O-N 2.85Å; L1030-L1032 VanDerWaalsContact C-N 3.26Å; L1030-L1032 PolarHBondContact O-N 3.4Å; L1030-Q1033 WeakPolarHBondContact O-CB 2.93Å; L1030-Q1033 PolarHBondContact O-N 3.11Å; L1030-Q1033 VanDerWaalsContact O-N 3.11Å; L1030-E1034 WeakPolarHBondContact O-CG 3.08Å; L1030-E1034 PolarHBondContact O-N 2.9Å
1031	L	94.5	Very high	91.4	Very high	37 Å²	37	72.2 Å²	72.2	19%	0.194	37%	0.371	C	S	.	.	H	α-helix	trans	-59	-40.1	175.3	-69.8	172.5	0	0	0	111.5	V1006 K1027 I1028 Q1033 E1034 Y1035	V1006-L1031 HydrophobicContact CG1-CB 3.97Å; V1006-L1031 HydrophobicContact CG1-CD1 4.2Å; V1006-L1031 HydrophobicContact CG2-CB 4.46Å; K1027-L1031 HydrophobicContact CG-CD1 4.43Å; K1027-L1031 WeakPolarHBondContact O-CG 3.49Å; K1027-L1031 PolarHBondContact O-N 3.25Å; I1028-L1031 PolarHBondContact O-N 2.95Å; L1031-Q1033 VanDerWaalsContact C-N 3.31Å; L1031-Q1033 PolarHBondContact O-N 2.82Å; L1031-E1034 WeakPolarHBondContact O-CB 3.44Å; L1031-E1034 PolarHBondContact O-N 3.28Å; L1031-Y1035 WeakPolarHBondContact O-CD2 3.5Å; L1031-Y1035 PolarHBondContact O-N 2.96Å
1032	L	94.3	Very high	92.3	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-65.4	-36.1	178.3	-172.3	60.2	0	0	0	112.3	L1002 K1005 V1006 I1028 S1029 L1030 Y1035 Y1037 Q1038	L1002-L1032 HydrophobicContact CD2-CD2 4.04Å; K1005-L1032 HydrophobicContact CB-CD1 4.44Å; K1005-L1032 HydrophobicContact CD-CD1 3.62Å; K1005-L1032 HydrophobicContact CD-CD2 4.27Å; K1005-L1032 HydrophobicContact CG-CD1 3.79Å; V1006-L1032 HydrophobicContact CG2-CB 3.84Å; V1006-L1032 HydrophobicContact CG2-CD1 4.09Å; V1006-L1032 HydrophobicContact CG2-CG 4.49Å; I1028-L1032 WeakPolarHBondContact O-CB 3.06Å; I1028-L1032 PolarHBondContact O-N 2.9Å; S1029-L1032 PolarHBondContact O-N 3.06Å; L1030-L1032 VanDerWaalsContact C-N 3.26Å; L1030-L1032 PolarHBondContact O-N 3.4Å; L1032-Y1035 PolarHBondContact O-N 3.23Å; L1032-Y1037 HydrophobicContact CD1-CD2 4.26Å; L1032-Y1037 HydrophobicContact CD1-CG 4.09Å; L1032-Y1037 PolarHBondContact O-N 2.79Å; L1032-Q1038 VanDerWaalsContact CD2-O 3.27Å; L1032-Q1038 WeakPolarHBondContact CD2-O 3.21Å
1033	Q	94.8	Very high	93.2	Very high	114 Å²	114	66.4 Å²	66.4	53%	0.533	33%	0.334	S	S	.	.	H	α-helix	trans	-66.9	-37	174.6	-173.5	177.9	-2.1	0	0	112	S1029 L1030 L1031 Y1035 G1036 H1039	S1029-Q1033 PolarHBondContact O-N 3.13Å; L1030-Q1033 WeakPolarHBondContact O-CB 2.93Å; L1030-Q1033 PolarHBondContact O-N 3.11Å; L1030-Q1033 VanDerWaalsContact O-N 3.11Å; L1031-Q1033 VanDerWaalsContact C-N 3.31Å; L1031-Q1033 PolarHBondContact O-N 2.82Å; Q1033-Y1035 PolarHBondContact O-N 2.81Å; Q1033-G1036 PolarHBondContact O-N 2.84Å; Q1033-H1039 HydrophobicContact CB-CB 4.26Å
1034	E	95	Very high	93.8	Very high	147 Å²	147	68.7 Å²	68.7	69%	0.687	34%	0.344	S	S	*	.	H	α-helix	trans	-60	-33.6	175.2	-69.9	170.6	-169.5	0	0	112.2	L1030 L1031 G1036	L1030-E1034 WeakPolarHBondContact O-CG 3.08Å; L1030-E1034 PolarHBondContact O-N 2.9Å; L1031-E1034 WeakPolarHBondContact O-CB 3.44Å; L1031-E1034 PolarHBondContact O-N 3.28Å; E1034-G1036 PolarHBondContact O-N 2.68Å
1035	Y	94.4	Very high	94.2	Very high	96 Å²	96	64.9 Å²	64.9	38%	0.376	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	7.4	174.5	-71	-69.7	0	0	0	114.4	N1009 K1010 L1031 L1032 Q1033 Y1037	N1009-Y1035 HydrophobicContact CB-CD1 4.3Å; N1009-Y1035 HydrophobicContact CB-CD2 4.37Å; N1009-Y1035 HydrophobicContact CB-CG 4.16Å; K1010-Y1035 WeakPolarHBondContact CA-OH 3.33Å; K1010-Y1035 HydrophobicContact CB-CE2 3.96Å; K1010-Y1035 VanDerWaalsContact CB-OH 3.3Å; K1010-Y1035 WeakPolarHBondContact CB-OH 3.49Å; K1010-Y1035 VanDerWaalsContact CG-OH 3.26Å; K1010-Y1035 WeakPolarHBondContact CG-OH 3.42Å; L1031-Y1035 WeakPolarHBondContact O-CD2 3.5Å; L1031-Y1035 PolarHBondContact O-N 2.96Å; L1032-Y1035 PolarHBondContact O-N 3.23Å; Q1033-Y1035 PolarHBondContact O-N 2.81Å; Y1035-Y1037 VanDerWaalsContact C-N 3.34Å; Y1035-Y1037 WeakPolarHBondContact O-CD2 3.38Å; Y1035-Y1037 PolarHBondContact O-N 2.87Å
1036	G	92.9	Very high	94.4	Very high	71 Å²	71	64.2 Å²	64.2	73%	0.732	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	10.9	175.6	0	0	0	0	0	115.3	Q1033 E1034	Q1033-G1036 PolarHBondContact O-N 2.84Å; E1034-G1036 PolarHBondContact O-N 2.68Å
1037	Y	93.8	Very high	94.6	Very high	50 Å²	50	56.6 Å²	56.6	20%	0.196	29%	0.289	C	S	.	.	S	Bend	trans	-92.4	164.3	172.7	-72.8	-93.2	0	0	0	111.1	K1005 N1009 L1032 Y1035 H1039 E1043	K1005-Y1037 HydrophobicContact CD-CD1 4.24Å; K1005-Y1037 HydrophobicContact CD-CG 4.46Å; N1009-Y1037 WeakPolarHBondContact ND2-CE2 3.35Å; L1032-Y1037 HydrophobicContact CD1-CD2 4.26Å; L1032-Y1037 HydrophobicContact CD1-CG 4.09Å; L1032-Y1037 PolarHBondContact O-N 2.79Å; Y1035-Y1037 VanDerWaalsContact C-N 3.34Å; Y1035-Y1037 WeakPolarHBondContact O-CD2 3.38Å; Y1035-Y1037 PolarHBondContact O-N 2.87Å; Y1037-H1039 PolarHBondContact O-N 3.28Å; Y1037-E1043 HydrophobicContact CD1-CG 4.48Å
1038	Q	93.5	Very high	94.7	Very high	84 Å²	84	52.5 Å²	52.5	39%	0.393	28%	0.276	S	S	.	.			trans	-65.9	131.2	171.1	178.5	60.6	-42.2	0	0	110.1	L1032 T1040 G1041 N1042	L1032-Q1038 VanDerWaalsContact CD2-O 3.27Å; L1032-Q1038 WeakPolarHBondContact CD2-O 3.21Å; Q1038-T1040 PolarHBondContact O-N 2.91Å; Q1038-G1041 PolarHBondContact O-N 3.04Å; Q1038-N1042 VanDerWaalsContact CB-O 3.23Å; Q1038-N1042 WeakPolarHBondContact CB-O 3.43Å
1039	H	92.6	Very high	94.8	Very high	77 Å²	77	57 Å²	57	36%	0.356	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.2	-174.1	66.2	-78.2	0	0	0	114.9	S1029 Q1033 Y1037	S1029-H1039 WeakPolarHBondContact CA-O 3.33Å; S1029-H1039 WeakPolarHBondContact CB-O 3.3Å; S1029-H1039 PolarHBondContact OG-O 3.37Å; Q1033-H1039 HydrophobicContact CB-CB 4.26Å; Y1037-H1039 PolarHBondContact O-N 3.28Å
1040	T	92.6	Very high	94.9	Very high	53 Å²	53	60.1 Å²	60.1	33%	0.325	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	4.8	176.3	53.9	0	0	0	0	114.5	Q1038 N1042 F1059	Q1038-T1040 PolarHBondContact O-N 2.91Å; T1040-N1042 VanDerWaalsContact C-N 3.28Å; T1040-N1042 PolarHBondContact O-N 2.97Å; T1040-N1042 PolarHBondContact OG1-ND2 2.84Å; T1040-F1059 WeakPolarHBondContact O-CD2 3.25Å; T1040-F1059 VanDerWaalsContact O-CE2 3.31Å; T1040-F1059 WeakPolarHBondContact O-CE2 3.18Å
1041	G	93.5	Very high	94.8	Very high	1 Å²	1	58 Å²	58	1%	0.01	31%	0.313	C	S	.	.	S	Bend	trans	79.6	-1	178.3	0	0	0	0	0	116	K1005 Q1038	K1005-G1041 PolarHBondContact NZ-O 3.38Å; Q1038-G1041 PolarHBondContact O-N 3.04Å
1042	N	96.5	Very high	94.9	Very high	50 Å²	50	65.5 Å²	65.5	27%	0.267	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	137.3	176.5	-69.6	-33.9	0	0	0	112	Q1038 T1040 Q1057 I1058 F1059	Q1038-N1042 VanDerWaalsContact CB-O 3.23Å; Q1038-N1042 WeakPolarHBondContact CB-O 3.43Å; T1040-N1042 VanDerWaalsContact C-N 3.28Å; T1040-N1042 PolarHBondContact O-N 2.97Å; T1040-N1042 PolarHBondContact OG1-ND2 2.84Å; N1042-Q1057 HydrophobicContact CB-CB 4.01Å; N1042-I1058 WeakPolarHBondContact CA-O 3.35Å; N1042-F1059 WeakPolarHBondContact OD1-CA 3.46Å; N1042-F1059 WeakPolarHBondContact OD1-CB 3.41Å; N1042-F1059 PolarHBondContact OD1-N 3.13Å
1043	E	95.7	Very high	95	Very high	21 Å²	21	71.3 Å²	71.3	10%	0.098	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154.2	178.4	-71.2	179.6	-138.4	0	0	111.8	T974 K1005 Y1037 M1045 Q1057 I1058	T974-E1043 VanDerWaalsContact CG2-OE2 3.24Å; T974-E1043 WeakPolarHBondContact CG2-OE2 3.38Å; K1005-E1043 WeakPolarHBondContact CE-OE1 3.21Å; K1005-E1043 IonicContact NZ-OE1 3.75Å; K1005-E1043 PolarHBondContact NZ-OE1 2.84Å; Y1037-E1043 HydrophobicContact CD1-CG 4.48Å; E1043-M1045 PolarHBondContact O-N 2.9Å; E1043-Q1057 WeakPolarHBondContact O-CA 3.41Å; E1043-I1058 PolarHBondContact N-O 3.26Å; E1043-I1058 PolarHBondContact O-N 2.88Å
1044	I	96.3	Very high	95	Very high	84 Å²	84	68.3 Å²	68.3	43%	0.431	35%	0.351	S	S	.	.			trans	-78	116.9	171.9	-60	172.2	0	0	0	107.7	K1053 Q1057	I1044-K1053 HydrophobicContact CG2-CD 4.18Å; I1044-K1053 HydrophobicContact CG2-CG 4.27Å; I1044-Q1057 HydrophobicContact CG1-CG 4.37Å
1045	M	96.3	Very high	95	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	151.5	174.8	-65.6	-169.5	81.9	0	0	111.6	P972 F973 T974 P980 E1043 L1054 I1058	P972-M1045 VanDerWaalsContact C-CE 3.48Å; P972-M1045 HydrophobicContact CB-CE 3.77Å; P972-M1045 HydrophobicContact CG-CE 3.9Å; P972-M1045 VanDerWaalsContact O-CE 3.27Å; P972-M1045 WeakPolarHBondContact O-CE 3.12Å; F973-M1045 CarbonylContact O-C 3.54Å; F973-M1045 VanDerWaalsContact O-CA 3.31Å; F973-M1045 WeakPolarHBondContact O-CA 3.4Å; T974-M1045 HydrophobicContact CG2-CE 4.41Å; T974-M1045 HydrophobicContact CG2-CG 4.25Å; P980-M1045 HydrophobicContact CG-CE 4.25Å; E1043-M1045 PolarHBondContact O-N 2.9Å; M1045-L1054 HydrophobicContact CB-CD1 4.19Å; M1045-L1054 PolarHBondContact O-N 3.29Å; M1045-I1058 HydrophobicContact CB-CG1 4.16Å; M1045-I1058 HydrophobicContact CG-CB 4.02Å; M1045-I1058 HydrophobicContact CG-CG1 4.2Å; M1045-I1058 HydrophobicContact SD-CB 3.6Å; M1045-I1058 HydrophobicContact SD-CG1 3.94Å; M1045-I1058 HydrophobicContact SD-CG2 3.67Å
1046	Y	97.3	Very high	95.1	Very high	50 Å²	50	69 Å²	69	20%	0.196	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	144.8	176.8	-56.4	-95.7	0	0	0	109.5	P972 F973 C975 G1048 R1052 K1053	P972-Y1046 WeakPolarHBondContact CA-O 3.37Å; P972-Y1046 WeakPolarHBondContact CB-O 3.35Å; F973-Y1046 HydrophobicContact CD2-CD2 4.07Å; F973-Y1046 HydrophobicContact CD2-CG 4.48Å; F973-Y1046 AromaticContact CE2-CD2 3.81Å; F973-Y1046 HydrophobicContact CE2-CD2 3.81Å; F973-Y1046 AromaticContact CE2-CG 3.92Å; F973-Y1046 HydrophobicContact CE2-CG 3.92Å; F973-Y1046 VanDerWaalsContact CZ-CB 3.48Å; F973-Y1046 HydrophobicContact CZ-CD2 4.39Å; F973-Y1046 HydrophobicContact CZ-CG 4.03Å; F973-Y1046 PolarHBondContact N-O 2.84Å; F973-Y1046 VanDerWaalsContact N-O 3.15Å; F973-Y1046 WeakPolarHBondContact O-CD2 3.28Å; F973-Y1046 PolarHBondContact O-N 2.88Å; C975-Y1046 HydrophobicContact CB-CE2 4.39Å; Y1046-G1048 PolarHBondContact O-N 2.83Å; Y1046-R1052 WeakPolarHBondContact CA-O 3.43Å; Y1046-K1053 HydrophobicContact CD1-CB 4.37Å; Y1046-K1053 HydrophobicContact CD1-CG 3.49Å; Y1046-K1053 VanDerWaalsContact CD1-CG 3.49Å; Y1046-K1053 HydrophobicContact CE1-CB 4.46Å; Y1046-K1053 HydrophobicContact CE1-CD 3.92Å; Y1046-K1053 HydrophobicContact CE1-CG 3.19Å; Y1046-K1053 WeakPolarHBondContact OH-CE 3.19Å
1047	N	96.1	Very high	95.2	Very high	36 Å²	36	70.7 Å²	70.7	19%	0.193	36%	0.362	C	S	.	.			trans	-73	123.6	176.7	-177.2	-21	0	0	0	110.2	Y802 F1049 T1050 G1051 R1052 L1054	Y802-N1047 PolarHBondContact OH-OD1 2.83Å; N1047-F1049 PolarHBondContact O-N 3.19Å; N1047-F1049 WeakPolarHBondContact OD1-CB 3.39Å; N1047-F1049 VanDerWaalsContact OD1-CD2 3.26Å; N1047-F1049 WeakPolarHBondContact OD1-CD2 2.95Å; N1047-F1049 PolarHBondContact OD1-N 3Å; N1047-T1050 PolarHBondContact O-N 3.38Å; N1047-G1051 WeakPolarHBondContact O-CA 3.49Å; N1047-G1051 PolarHBondContact O-N 3.28Å; N1047-R1052 PolarHBondContact N-O 3.32Å; N1047-L1054 HydrophobicContact CB-CD2 3.95Å
1048	G	95.2	Very high	95.4	Very high	19 Å²	19	69 Å²	69	20%	0.196	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.1	179.4	0	0	0	0	0	114	E969 M971 Y1046	E969-G1048 CarbonylContact O-C 3.54Å; M971-G1048 WeakPolarHBondContact O-CA 3.37Å; Y1046-G1048 PolarHBondContact O-N 2.83Å
1049	F	96.1	Very high	95.6	Very high	100 Å²	100	66.4 Å²	66.4	44%	0.439	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-29.8	-178.3	-56.4	-63.7	0	0	0	114.6	Y802 T803 Y966 D970 N1047	Y802-F1049 AromaticContact CE1-CE2 3.83Å; Y802-F1049 HydrophobicContact CE1-CE2 3.83Å; Y802-F1049 HydrophobicContact CE1-CZ 4.3Å; Y802-F1049 HydrophobicContact CE2-CE2 4.32Å; Y802-F1049 AromaticContact CZ-CE2 3.49Å; Y802-F1049 VanDerWaalsContact CZ-CE2 3.49Å; Y802-F1049 VanDerWaalsContact OH-CD2 3.31Å; Y802-F1049 WeakPolarHBondContact OH-CD2 3.47Å; Y802-F1049 WeakPolarHBondContact OH-CE2 3.46Å; T803-F1049 HydrophobicContact CG2-CE2 3.63Å; T803-F1049 HydrophobicContact CG2-CZ 4.05Å; Y966-F1049 HydrophobicContact CE1-CZ 4.19Å; D970-F1049 HydrophobicContact CB-CE1 3.75Å; D970-F1049 HydrophobicContact CB-CZ 4.18Å; N1047-F1049 PolarHBondContact O-N 3.19Å; N1047-F1049 WeakPolarHBondContact OD1-CB 3.39Å; N1047-F1049 VanDerWaalsContact OD1-CD2 3.26Å; N1047-F1049 WeakPolarHBondContact OD1-CD2 2.95Å; N1047-F1049 PolarHBondContact OD1-N 3Å
1050	T	96.4	Very high	95.7	Very high	84 Å²	84	63 Å²	63	52%	0.515	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-11.9	-170.3	59.9	0	0	0	0	114	N1047 R1052	N1047-T1050 PolarHBondContact O-N 3.38Å; T1050-R1052 PolarHBondContact O-N 3.26Å; T1050-R1052 VanDerWaalsContact O-N 3.12Å; T1050-R1052 PolarHBondContact OG1-N 3.09Å
1051	G	93.7	Very high	95.9	Very high	42 Å²	42	60.6 Å²	60.6	43%	0.433	31%	0.314	S	S	.	.			trans	68.3	-2.1	-171.2	0	0	0	0	0	114.6	N1047	N1047-G1051 WeakPolarHBondContact O-CA 3.49Å; N1047-G1051 PolarHBondContact O-N 3.28Å
1052	R	96.4	Very high	96.1	Very high	195 Å²	195	61.2 Å²	61.2	74%	0.736	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-71.5	142.4	179.1	-67.6	-174.3	177	-171.1	-0.6	110.6	Y1046 N1047 T1050 L1054	Y1046-R1052 WeakPolarHBondContact CA-O 3.43Å; N1047-R1052 PolarHBondContact N-O 3.32Å; T1050-R1052 PolarHBondContact O-N 3.26Å; T1050-R1052 VanDerWaalsContact O-N 3.12Å; T1050-R1052 PolarHBondContact OG1-N 3.09Å; R1052-L1054 PolarHBondContact O-N 3.27Å
1053	K	96.4	Very high	96.1	Very high	123 Å²	123	58.9 Å²	58.9	54%	0.535	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-57.5	136.2	167.6	-70.7	-179.6	179.3	-176.3	0	109.5	I1044 Y1046	I1044-K1053 HydrophobicContact CG2-CD 4.18Å; I1044-K1053 HydrophobicContact CG2-CG 4.27Å; Y1046-K1053 HydrophobicContact CD1-CB 4.37Å; Y1046-K1053 HydrophobicContact CD1-CG 3.49Å; Y1046-K1053 VanDerWaalsContact CD1-CG 3.49Å; Y1046-K1053 HydrophobicContact CE1-CB 4.46Å; Y1046-K1053 HydrophobicContact CE1-CD 3.92Å; Y1046-K1053 HydrophobicContact CE1-CG 3.19Å; Y1046-K1053 WeakPolarHBondContact OH-CE 3.19Å
1054	L	94.9	Very high	96.2	Very high	50 Å²	50	57.9 Å²	57.9	26%	0.262	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-68.9	141.9	168.9	-62.6	176.9	0	0	0	109.1	M1045 N1047 R1052 S1056 I1058	M1045-L1054 HydrophobicContact CB-CD1 4.19Å; M1045-L1054 PolarHBondContact O-N 3.29Å; N1047-L1054 HydrophobicContact CB-CD2 3.95Å; R1052-L1054 PolarHBondContact O-N 3.27Å; L1054-S1056 PolarHBondContact O-N 3.07Å; L1054-I1058 HydrophobicContact CD1-CD1 4.24Å; L1054-I1058 HydrophobicContact CD1-CG1 3.98Å
1055	N	95.2	Very high	96.3	Very high	176 Å²	176	54.1 Å²	54.1	94%	0.941	28%	0.281	S	S	*	.	S	Bend	trans	-64.5	-27.1	179.9	-69	-9.9	0	0	0	112.3
1056	S	95.3	Very high	96.3	Very high	83 Å²	83	54.1 Å²	54.1	58%	0.58	28%	0.281	S	S	*	.	S	Bend	trans	-106.5	142.4	177.3	-53.8	0	0	0	0	110.2	L1054	L1054-S1056 PolarHBondContact O-N 3.07Å
1057	Q	95.6	Very high	96.3	Very high	105 Å²	105	51.8 Å²	51.8	49%	0.491	27%	0.272	S	S	.	.			trans	-72.7	146.7	168.6	-61.1	171.3	-0.6	0	0	109.1	N1042 E1043 I1044	N1042-Q1057 HydrophobicContact CB-CB 4.01Å; E1043-Q1057 WeakPolarHBondContact O-CA 3.41Å; I1044-Q1057 HydrophobicContact CG1-CG 4.37Å
1058	I	97.2	Very high	96.3	Very high	16 Å²	16	50.2 Å²	50.2	8%	0.082	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.5	-175.4	-57.9	-53.5	0	0	0	109.3	A798 A800 N1042 E1043 M1045 L1054 L1060	A798-I1058 HydrophobicContact CB-CG2 4Å; A800-I1058 HydrophobicContact CB-CD1 3.73Å; A800-I1058 HydrophobicContact CB-CG1 4.33Å; A800-I1058 HydrophobicContact CB-CG2 3.88Å; N1042-I1058 WeakPolarHBondContact CA-O 3.35Å; E1043-I1058 PolarHBondContact N-O 3.26Å; E1043-I1058 PolarHBondContact O-N 2.88Å; M1045-I1058 HydrophobicContact CB-CG1 4.16Å; M1045-I1058 HydrophobicContact CG-CB 4.02Å; M1045-I1058 HydrophobicContact CG-CG1 4.2Å; M1045-I1058 HydrophobicContact SD-CB 3.6Å; M1045-I1058 HydrophobicContact SD-CG1 3.94Å; M1045-I1058 HydrophobicContact SD-CG2 3.67Å; L1054-I1058 HydrophobicContact CD1-CD1 4.24Å; L1054-I1058 HydrophobicContact CD1-CG1 3.98Å; I1058-L1060 PolarHBondContact O-N 3.21Å
1059	F	97.4	Very high	96.2	Very high	29 Å²	29	53.1 Å²	53.1	13%	0.127	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	116.7	171.3	-174.6	-94.7	0	0	0	109.3	A798 I799 L998 C1001 L1002 T1040 N1042	A798-F1059 WeakPolarHBondContact CA-O 3.06Å; I799-F1059 HydrophobicContact CB-CB 4.4Å; I799-F1059 HydrophobicContact CB-CD1 4.46Å; I799-F1059 HydrophobicContact CD1-CD1 3.61Å; I799-F1059 HydrophobicContact CD1-CE1 4.01Å; I799-F1059 HydrophobicContact CG1-CD1 3.9Å; I799-F1059 PolarHBondContact N-O 2.87Å; L998-F1059 HydrophobicContact CB-CZ 4.38Å; L998-F1059 HydrophobicContact CD2-CD1 4.39Å; L998-F1059 HydrophobicContact CD2-CE1 4Å; L998-F1059 HydrophobicContact CD2-CZ 4.46Å; C1001-F1059 HydrophobicContact CB-CE1 3.55Å; C1001-F1059 HydrophobicContact CB-CZ 3.91Å; C1001-F1059 WeakPolarHBondContact SG-CE1 3.31Å; L1002-F1059 HydrophobicContact CD1-CE2 4.48Å; L1002-F1059 HydrophobicContact CD2-CE2 3.73Å; L1002-F1059 HydrophobicContact CD2-CZ 4.09Å; L1002-F1059 HydrophobicContact CG-CE2 3.91Å; L1002-F1059 HydrophobicContact CG-CZ 3.86Å; T1040-F1059 WeakPolarHBondContact O-CD2 3.25Å; T1040-F1059 VanDerWaalsContact O-CE2 3.31Å; T1040-F1059 WeakPolarHBondContact O-CE2 3.18Å; N1042-F1059 WeakPolarHBondContact OD1-CA 3.46Å; N1042-F1059 WeakPolarHBondContact OD1-CB 3.41Å; N1042-F1059 PolarHBondContact OD1-N 3.13Å
1060	L	96.2	Very high	96	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.9	-173.1	-175.1	75.4	0	0	0	109.5	I796 V797 A798 T974 P980 K1005 I1058	I796-L1060 HydrophobicContact CG2-CD1 3.72Å; I796-L1060 HydrophobicContact CG2-CG 4.16Å; V797-L1060 WeakPolarHBondContact O-CA 3.37Å; A798-L1060 HydrophobicContact CB-CD1 3.74Å; T974-L1060 HydrophobicContact CG2-CD2 3.41Å; T974-L1060 VanDerWaalsContact CG2-CD2 3.41Å; P980-L1060 HydrophobicContact CB-CD1 4.07Å; K1005-L1060 WeakPolarHBondContact CE-O 3.42Å; K1005-L1060 PolarHBondContact NZ-O 3.11Å; I1058-L1060 PolarHBondContact O-N 3.21Å
1061	G	95.8	Very high	95.9	Very high	2 Å²	2	46.9 Å²	46.9	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.4	169.3	168	0	0	0	0	0	113.3	V797 C1001	V797-G1061 PolarHBondContact N-O 2.83Å; V797-G1061 PolarHBondContact O-N 2.8Å; C1001-G1061 WeakPolarHBondContact SG-CA 3.37Å; C1001-G1061 PolarHBondContact SG-N 3.35Å; C1001-G1061 VanDerWaalsContact SG-N 3.36Å
1062	P	97.5	Very high	95.8	Very high	13 Å²	13	47.1 Å²	47.1	8%	0.084	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.5	-179.6	31.5	-33.9	0	0	0	111.1	L775 A795 I796 G1004 A1008	L775-P1062 HydrophobicContact CD1-CB 3.96Å; L775-P1062 HydrophobicContact CD1-CG 4.09Å; A795-P1062 CarbonylContact O-C 3.46Å; A795-P1062 VanDerWaalsContact O-CA 3.31Å; A795-P1062 WeakPolarHBondContact O-CA 3.23Å; I796-P1062 HydrophobicContact CD1-CB 4.24Å; G1004-P1062 VanDerWaalsContact O-CG 3.3Å; G1004-P1062 WeakPolarHBondContact O-CG 3.39Å; A1008-P1062 HydrophobicContact CB-CG 4.37Å
1063	T	97.6	Very high	95.5	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	143.8	177.3	-60.1	0	0	0	0	109.9	A795 E1000 Y1065	A795-T1063 PolarHBondContact N-O 2.8Å; A795-T1063 PolarHBondContact O-N 2.92Å; E1000-T1063 HydrophobicContact CG-CG2 4.39Å; T1063-Y1065 HydrophobicContact CG2-CD2 4Å; T1063-Y1065 HydrophobicContact CG2-CE2 3.74Å; T1063-Y1065 PolarHBondContact O-N 3.2Å
1064	Y	97.9	Very high	95	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	112.6	-179.4	-167.8	-101.8	0	0	0	112.2	Q772 P774 F786 P790 A791 G792 R955 E1000 Q1066	Q772-Y1064 WeakPolarHBondContact O-CE2 3.46Å; Q772-Y1064 PolarHBondContact O-OH 3.4Å; P774-Y1064 HydrophobicContact CB-CD2 3.85Å; P774-Y1064 HydrophobicContact CB-CE2 4.22Å; P774-Y1064 HydrophobicContact CB-CG 3.98Å; F786-Y1064 HydrophobicContact CE1-CE1 4.13Å; F786-Y1064 HydrophobicContact CZ-CE1 4.16Å; P790-Y1064 VanDerWaalsContact CB-OH 3.29Å; P790-Y1064 WeakPolarHBondContact CB-OH 3.45Å; A791-Y1064 PolarHBondContact N-OH 3Å; A791-Y1064 VanDerWaalsContact N-OH 3.15Å; G792-Y1064 VanDerWaalsContact C-CZ 3.42Å; G792-Y1064 VanDerWaalsContact CA-OH 3.28Å; G792-Y1064 WeakPolarHBondContact CA-OH 3.46Å; G792-Y1064 PolarHBondContact N-OH 3.39Å; G792-Y1064 PolarHBondContact O-OH 2.85Å; R955-Y1064 HydrophobicContact CG-CD1 3.97Å; E1000-Y1064 WeakPolarHBondContact OE1-CB 3.33Å; E1000-Y1064 PolarHBondContact OE1-N 3.38Å; Y1064-Q1066 HydrophobicContact CE1-CG 4.34Å
1065	Y	97.7	Very high	94.7	Very high	5 Å²	5	39.9 Å²	39.9	2%	0.02	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	152.3	178	-91.8	-114.8	0	0	0	112.1	G792 I793 V797 F823 F952 I982 I984 T1063	G792-Y1065 CarbonylContact C-O 3.1Å; G792-Y1065 WeakPolarHBondContact CA-O 3.39Å; I793-Y1065 PolarHBondContact N-O 3.07Å; I793-Y1065 PolarHBondContact O-N 3.07Å; V797-Y1065 HydrophobicContact CG2-CD2 3.98Å; V797-Y1065 HydrophobicContact CG2-CE2 3.55Å; F823-Y1065 WeakPolarHBondContact CE1-O 3.13Å; F823-Y1065 VanDerWaalsContact CZ-O 3.25Å; F823-Y1065 WeakPolarHBondContact CZ-O 3.43Å; F952-Y1065 HydrophobicContact CB-CD1 4.42Å; I982-Y1065 HydrophobicContact CD1-CD1 3.69Å; I982-Y1065 HydrophobicContact CD1-CE1 4.14Å; I982-Y1065 HydrophobicContact CD1-CG 3.95Å; I984-Y1065 WeakPolarHBondContact CG2-OH 3.35Å; T1063-Y1065 HydrophobicContact CG2-CD2 4Å; T1063-Y1065 HydrophobicContact CG2-CE2 3.74Å; T1063-Y1065 PolarHBondContact O-N 3.2Å
1066	Q	97	Very high	94.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.1	179.6	-61.6	174.5	1.2	0	0	109.3	Q742 A749 F952 A953 Y1064	Q742-Q1066 VanDerWaalsContact NE2-OE1 3.16Å; A749-Q1066 HydrophobicContact CB-CB 4Å; A749-Q1066 HydrophobicContact CB-CG 4.23Å; F952-Q1066 CarbonylContact C-O 3.48Å; F952-Q1066 WeakPolarHBondContact CA-O 3.26Å; A953-Q1066 PolarHBondContact N-O 3.08Å; A953-Q1066 PolarHBondContact O-N 3.08Å; Y1064-Q1066 HydrophobicContact CE1-CG 4.34Å
1067	R	97.1	Very high	94.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	125.7	166.4	-167.4	-178.7	178.9	-171.9	-0.3	108.4	A749 M750 F823 S825 K944 A945 D950 F952	A749-R1067 CarbonylContact C-O 3.54Å; A749-R1067 WeakPolarHBondContact CA-O 3.38Å; M750-R1067 HydrophobicContact CE-CB 3.78Å; M750-R1067 HydrophobicContact CE-CG 3.32Å; M750-R1067 PolarHBondContact N-O 3.07Å; F823-R1067 HydrophobicContact CD1-CB 3.74Å; F823-R1067 HydrophobicContact CE1-CB 4.23Å; F823-R1067 HydrophobicContact CG-CB 4.26Å; F823-R1067 WeakPolarHBondContact O-CD 3.43Å; F823-R1067 PolarHBondContact O-NH1 3.39Å; S825-R1067 PolarHBondContact OG-NH1 2.89Å; S825-R1067 VanDerWaalsContact OG-NH1 3.13Å; K944-R1067 PolarHBondContact O-NH1 3.13Å; A945-R1067 PolarHBondContact O-NH2 3.39Å; D950-R1067 IonicContact OD2-CZ 2.88Å; D950-R1067 IonicContact OD2-NE 2.76Å; D950-R1067 IonicContact OD2-NH2 3.33Å; D950-R1067 PolarHBondContact OD2-NH2 2.97Å; F952-R1067 HydrophobicContact CD1-CB 4.06Å; F952-R1067 HydrophobicContact CD1-CG 4.08Å; F952-R1067 HydrophobicContact CE1-CB 3.83Å; F952-R1067 HydrophobicContact CE1-CG 3.54Å; F952-R1067 HydrophobicContact CZ-CG 3.99Å
1068	L	95.8	Very high	93.8	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.016	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-88.7	152.4	-179.3	-54	-176.7	0	0	0	110.4	Q748 M750 K951 A953 H1070	Q748-L1068 HydrophobicContact CB-CD2 4.33Å; Q748-L1068 WeakPolarHBondContact O-CA 3.4Å; M750-L1068 WeakPolarHBondContact CE-O 3.34Å; K951-L1068 HydrophobicContact CB-CB 4.18Å; K951-L1068 HydrophobicContact CB-CD1 4.12Å; K951-L1068 HydrophobicContact CB-CG 4.48Å; K951-L1068 PolarHBondContact O-N 3.33Å; A953-L1068 HydrophobicContact CB-CD1 4.16Å; A953-L1068 HydrophobicContact CB-CD2 4.22Å; A953-L1068 HydrophobicContact CB-CG 4.35Å; L1068-H1070 PolarHBondContact O-N 2.96Å
1069	K	93.9	Very high	93.4	Very high	81 Å²	81	38.3 Å²	38.3	35%	0.352	20%	0.195	S	C	.	.	S	Bend	trans	-59.4	-11	177.9	70	173.6	-179.6	-177.4	0	115.9	L491 Q748 M750 M1071	L491-K1069 HydrophobicContact CD1-CB 4.29Å; L491-K1069 HydrophobicContact CD1-CD 4.26Å; L491-K1069 HydrophobicContact CD2-CB 4.24Å; L491-K1069 HydrophobicContact CD2-CD 3.84Å; L491-K1069 HydrophobicContact CD2-CG 4.31Å; Q748-K1069 PolarHBondContact O-N 3.2Å; M750-K1069 HydrophobicContact CG-CB 4.39Å; M750-K1069 HydrophobicContact SD-CB 4.46Å; K1069-M1071 PolarHBondContact O-N 3.32Å; K1069-M1071 VanDerWaalsContact O-N 3.14Å
1070	H	91.8	Very high	93	Very high	50 Å²	50	42.8 Å²	42.8	23%	0.231	23%	0.23	C	C	.	.			trans	-85.3	84.3	-173.2	-65.7	122.3	0	0	0	110.8	Q748 K951 L1068	Q748-H1070 PolarHBondContact OE1-CE1 2.75Å; Q748-H1070 PolarHBondContact OE1-ND1 3.26Å; K951-H1070 HydrophobicContact CB-CB 4.42Å; K951-H1070 HydrophobicContact CD-CB 3.92Å; K951-H1070 HydrophobicContact CG-CB 4.3Å; L1068-H1070 PolarHBondContact O-N 2.96Å
1071	M	92.9	Very high	92.5	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	27%	0.27	C	S	.	.			trans	-88.8	150.4	177	-64.4	175.9	-75.4	0	0	111.6	K944 D950 K1069 D1074	K944-M1071 HydrophobicContact CB-SD 3.81Å; K944-M1071 HydrophobicContact CD-SD 4.14Å; K944-M1071 HydrophobicContact CG-CE 4.24Å; K944-M1071 HydrophobicContact CG-SD 3.77Å; D950-M1071 VanDerWaalsContact OD1-CA 3.32Å; D950-M1071 WeakPolarHBondContact OD1-CA 3.47Å; K1069-M1071 PolarHBondContact O-N 3.32Å; K1069-M1071 VanDerWaalsContact O-N 3.14Å; M1071-D1074 WeakPolarHBondContact CE-OD2 3.37Å; M1071-D1074 PolarHBondContact O-N 3.3Å
1072	V	93.1	Very high	92.2	Very high	47 Å²	47	55 Å²	55	29%	0.285	28%	0.284	S	S	.	.	S	Bend	trans	-67.3	-37.4	-179.5	63.1	0	0	0	0	112.3	Q947 V948 D950 D1074 K1075 I1076	Q947-V1072 HydrophobicContact CG-CG1 3.82Å; V948-V1072 WeakPolarHBondContact O-CG1 3.2Å; D950-V1072 PolarHBondContact OD1-N 2.82Å; D950-V1072 VanDerWaalsContact OD1-N 3.13Å; V1072-D1074 PolarHBondContact O-N 3.38Å; V1072-K1075 PolarHBondContact O-N 3.36Å; V1072-I1076 PolarHBondContact O-N 2.97Å
1073	D	89.9	Confident	91.8	Very high	44 Å²	44	57.5 Å²	57.5	24%	0.235	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-36.7	177.1	-72.1	-10.4	0	0	0	112.1	K944 Q947 K1075 R1095	K944-D1073 IonicContact NZ-OD2 2.72Å; K944-D1073 PolarHBondContact NZ-OD2 3.24Å; Q947-D1073 PolarHBondContact NE2-OD1 2.86Å; Q947-D1073 PolarHBondContact NE2-OD2 2.85Å; D1073-K1075 VanDerWaalsContact C-N 3.31Å; D1073-R1095 PolarHBondContact O-NH1 3.09Å; D1073-R1095 PolarHBondContact O-NH2 3.3Å
1074	D	86.1	Confident	91.6	Very high	57 Å²	57	61 Å²	61	31%	0.305	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.1	-178	-65	-12.7	0	0	0	112.8	M1071 V1072 R1095	M1071-D1074 WeakPolarHBondContact CE-OD2 3.37Å; M1071-D1074 PolarHBondContact O-N 3.3Å; V1072-D1074 PolarHBondContact O-N 3.38Å; D1074-R1095 VanDerWaalsContact C-CZ 3.44Å; D1074-R1095 PolarHBondContact O-NH1 3.21Å
1075	K	88.2	Confident	91.4	Very high	116 Å²	116	63.6 Å²	63.6	50%	0.504	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-33.9	176.2	-70.9	176.5	176	-74	0	115	V1072 D1073 H1077	V1072-K1075 PolarHBondContact O-N 3.36Å; D1073-K1075 VanDerWaalsContact C-N 3.31Å; K1075-H1077 PolarHBondContact O-N 3.14Å
1076	I	89.6	Confident	91.1	Very high	121 Å²	121	71 Å²	71	62%	0.621	37%	0.372	S	S	*	.			trans	-55.7	133	-179.2	-167.9	168.6	0	0	0	111.7	V1072 R1095	V1072-I1076 PolarHBondContact O-N 2.97Å; I1076-R1095 VanDerWaalsContact O-CZ 3.22Å; I1076-R1095 PolarHBondContact O-NH1 3.44Å
1077	H	88.3	Confident	91	Very high	53 Å²	53	77.1 Å²	77.1	25%	0.245	40%	0.404	C	S	.	.			trans	-154	137.1	-178.1	173.4	53.1	0	0	0	109.7	K1075 R1095 G1099	K1075-H1077 PolarHBondContact O-N 3.14Å; H1077-R1095 HydrophobicContact CB-CB 4.5Å; H1077-R1095 HydrophobicContact CB-CG 3.99Å; H1077-G1099 PolarHBondContact CE1-O 2.96Å; H1077-G1099 PolarHBondContact NE2-O 3.34Å
1078	S	89.3	Confident	90.8	Very high	104 Å²	104	78.4 Å²	78.4	73%	0.727	41%	0.411	S	S	*	.			trans	-144.6	156.5	176.9	61.4	0	0	0	0	109.8
1079	R	88.1	Confident	90.7	Very high	68 Å²	68	83.8 Å²	83.8	26%	0.257	43%	0.431	S	S	.	.			trans	-149.4	128.9	174.8	176.9	-178.7	170.5	125.3	-3	109.4	G1082 P1083 P1091 D1098 G1099	R1079-G1082 VanDerWaalsContact NH2-C 3.34Å; R1079-G1082 PolarHBondContact NH2-O 2.74Å; R1079-P1083 PolarHBondContact NH1-O 3.01Å; R1079-P1083 PolarHBondContact NH2-O 2.99Å; R1079-P1091 VanDerWaalsContact CZ-CB 3.47Å; R1079-D1098 PolarHBondContact NH1-O 3.14Å; R1079-G1099 VanDerWaalsContact CD-O 3.26Å; R1079-G1099 WeakPolarHBondContact CD-O 3.46Å
1080	S	88.7	Confident	90.8	Very high	123 Å²	123	83 Å²	83	86%	0.86	43%	0.429	S	S	*	.	S	Bend	trans	-97.8	-61.4	169.4	56.6	0	0	0	0	110.3
1081	R	87.2	Confident	90.9	Very high	235 Å²	235	82.2 Å²	82.2	89%	0.887	43%	0.428	S	S	*	.	S	Bend	trans	-136.5	156.1	164.4	-66.5	-177.5	-179.5	174.1	1.3	107.5
1082	G	88.3	Confident	90.9	Very high	30 Å²	30	84 Å²	84	31%	0.309	44%	0.437	S	S	.	.			trans	-169.2	-174.6	-176	0	0	0	0	0	112.4	R1079	R1079-G1082 VanDerWaalsContact NH2-C 3.34Å; R1079-G1082 PolarHBondContact NH2-O 2.74Å
1083	P	89.7	Confident	90.7	Very high	66 Å²	66	88.9 Å²	88.9	43%	0.429	46%	0.457	S	S	.	.			trans	-58.9	148.9	178.9	22.6	-30.3	0	0	0	111.1	R1079 M1092 R1097	R1079-P1083 PolarHBondContact NH1-O 3.01Å; R1079-P1083 PolarHBondContact NH2-O 2.99Å; P1083-M1092 HydrophobicContact CB-CG 3.99Å; P1083-M1092 HydrophobicContact CG-CG 4.22Å; P1083-M1092 WeakPolarHBondContact O-CG 3.11Å; P1083-M1092 PolarHBondContact O-N 3.48Å; P1083-R1097 WeakPolarHBondContact CG-O 3.11Å
1084	V	93.4	Very high	90.5	Very high	75 Å²	75	88.7 Å²	88.7	46%	0.455	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-119.3	147.6	-178.6	-67.3	0	0	0	0	109.9	Q1090	V1084-Q1090 CarbonylContact C-O 3.57Å; V1084-Q1090 VanDerWaalsContact CA-O 3.24Å; V1084-Q1090 WeakPolarHBondContact CA-O 3.38Å; V1084-Q1090 WeakPolarHBondContact CB-O 3.39Å
1085	Q	92.7	Very high	90.3	Very high	54 Å²	54	89 Å²	89	25%	0.252	46%	0.462	S	S	.	.			trans	-66.4	134.7	169.7	-68.1	-175.3	16.7	0	0	109.1	L1087 N1088 R1089 Q1090 M1092	Q1085-L1087 VanDerWaalsContact C-N 3.32Å; Q1085-L1087 PolarHBondContact O-N 3.37Å; Q1085-N1088 WeakPolarHBondContact CB-OD1 3.25Å; Q1085-R1089 WeakPolarHBondContact O-CA 3.36Å; Q1085-R1089 PolarHBondContact O-N 3.2Å; Q1085-Q1090 PolarHBondContact N-O 2.97Å; Q1085-M1092 HydrophobicContact CB-SD 4.19Å; Q1085-M1092 HydrophobicContact CG-SD 3.42Å; Q1085-M1092 WeakPolarHBondContact CG-SD 3.48Å
1086	I	92.7	Very high	89.9	Confident	161 Å²	161	87.7 Å²	87.7	83%	0.826	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-36.5	-174.7	-62.4	170.9	0	0	0	111.4
1087	L	94	Very high	89.5	Confident	129 Å²	129	89.6 Å²	89.6	68%	0.675	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-57.6	-173.2	-179.2	64.8	0	0	0	112.8	Q1085 Y1170	Q1085-L1087 VanDerWaalsContact C-N 3.32Å; Q1085-L1087 PolarHBondContact O-N 3.37Å; L1087-Y1170 WeakPolarHBondContact O-CE1 3.38Å
1088	N	94.3	Very high	89.2	Confident	28 Å²	28	89.6 Å²	89.6	15%	0.15	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-2.5	-175.3	61.6	3.3	0	0	0	113.2	Q1085 Q1090 Y1170	Q1085-N1088 WeakPolarHBondContact CB-OD1 3.25Å; N1088-Q1090 HydrophobicContact CB-CG 4.32Å; N1088-Q1090 PolarHBondContact ND2-OE1 3.19Å; N1088-Q1090 PolarHBondContact O-N 3.2Å; N1088-Q1090 VanDerWaalsContact O-N 3.13Å; N1088-Q1090 PolarHBondContact OD1-N 3.1Å; N1088-Q1090 VanDerWaalsContact OD1-N 3.11Å; N1088-Y1170 VanDerWaalsContact O-CD1 3.26Å; N1088-Y1170 WeakPolarHBondContact O-CD1 3.34Å
1089	R	93.8	Very high	89.2	Confident	115 Å²	115	84.6 Å²	84.6	43%	0.434	43%	0.434	S	S	.	.			trans	57.7	19.4	-176.5	-56.9	-172.4	-178.5	-165.5	-1.6	114.8	Q1085 Y1170	Q1085-R1089 WeakPolarHBondContact O-CA 3.36Å; Q1085-R1089 PolarHBondContact O-N 3.2Å; R1089-Y1170 HydrophobicContact CB-CD1 4.04Å; R1089-Y1170 HydrophobicContact CB-CG 4.16Å; R1089-Y1170 HydrophobicContact CG-CD1 3.89Å; R1089-Y1170 HydrophobicContact CG-CD2 4.41Å; R1089-Y1170 HydrophobicContact CG-CE1 3.91Å; R1089-Y1170 HydrophobicContact CG-CE2 4.43Å; R1089-Y1170 HydrophobicContact CG-CG 4.14Å
1090	Q	94.4	Very high	89.2	Confident	65 Å²	65	82.5 Å²	82.5	30%	0.304	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-84.6	159.8	175.2	-68.4	-175.1	-33.4	0	0	111	V1084 Q1085 N1088 M1092 D1129	V1084-Q1090 CarbonylContact C-O 3.57Å; V1084-Q1090 VanDerWaalsContact CA-O 3.24Å; V1084-Q1090 WeakPolarHBondContact CA-O 3.38Å; V1084-Q1090 WeakPolarHBondContact CB-O 3.39Å; Q1085-Q1090 PolarHBondContact N-O 2.97Å; N1088-Q1090 HydrophobicContact CB-CG 4.32Å; N1088-Q1090 PolarHBondContact ND2-OE1 3.19Å; N1088-Q1090 PolarHBondContact O-N 3.2Å; N1088-Q1090 VanDerWaalsContact O-N 3.13Å; N1088-Q1090 PolarHBondContact OD1-N 3.1Å; N1088-Q1090 VanDerWaalsContact OD1-N 3.11Å; Q1090-M1092 PolarHBondContact O-N 3.28Å; Q1090-D1129 HydrophobicContact CG-CB 4.13Å
1091	P	94.8	Very high	89.4	Confident	34 Å²	34	84 Å²	84	22%	0.221	43%	0.431	C	S	.	.	B	Isolated β-bridge	trans	-46	138.1	170.8	-32.9	39.1	0	0	0	113.9	R1079	R1079-P1091 VanDerWaalsContact CZ-CB 3.47Å
1092	M	92	Very high	89.7	Confident	39 Å²	39	83.8 Å²	83.8	19%	0.192	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-57	158.2	172.4	-73.1	-66.4	-67.7	0	0	112	P1083 Q1085 Q1090 G1099 G1100	P1083-M1092 HydrophobicContact CB-CG 3.99Å; P1083-M1092 HydrophobicContact CG-CG 4.22Å; P1083-M1092 WeakPolarHBondContact O-CG 3.11Å; P1083-M1092 PolarHBondContact O-N 3.48Å; Q1085-M1092 HydrophobicContact CB-SD 4.19Å; Q1085-M1092 HydrophobicContact CG-SD 3.42Å; Q1085-M1092 WeakPolarHBondContact CG-SD 3.48Å; Q1090-M1092 PolarHBondContact O-N 3.28Å; M1092-G1099 CarbonylContact O-C 3.51Å; M1092-G1099 WeakPolarHBondContact O-CA 3.24Å; M1092-G1100 PolarHBondContact O-N 3.21Å
1093	E	90.4	Very high	90	Very high	150 Å²	150	85.4 Å²	85.4	70%	0.701	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-96.5	151.4	171.2	-65.9	179.2	-173.4	0	0	111.1
1094	G	84.2	Confident	90.2	Very high	40 Å²	40	83 Å²	83	41%	0.412	42%	0.415	S	S	.	.	S	Bend	trans	90.8	134.7	170.3	0	0	0	0	0	114.6	S1096 R1097 G1099	G1094-S1096 VanDerWaalsContact C-N 3.29Å; G1094-S1096 PolarHBondContact O-N 3.33Å; G1094-R1097 PolarHBondContact O-N 3.36Å; G1094-G1099 WeakPolarHBondContact O-CA 3.38Å; G1094-G1099 PolarHBondContact O-N 2.65Å
1095	R	82.4	Confident	90.4	Very high	62 Å²	62	85.7 Å²	85.7	23%	0.234	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-56.6	-40.3	179.9	177.6	-173.4	148.7	153.8	-12.3	112.8	S916 D1073 D1074 I1076 H1077 R1097 D1098	S916-R1095 PolarHBondContact OG-NH2 3Å; D1073-R1095 PolarHBondContact O-NH1 3.09Å; D1073-R1095 PolarHBondContact O-NH2 3.3Å; D1074-R1095 VanDerWaalsContact C-CZ 3.44Å; D1074-R1095 PolarHBondContact O-NH1 3.21Å; I1076-R1095 VanDerWaalsContact O-CZ 3.22Å; I1076-R1095 PolarHBondContact O-NH1 3.44Å; H1077-R1095 HydrophobicContact CB-CB 4.5Å; H1077-R1095 HydrophobicContact CB-CG 3.99Å; R1095-R1097 PolarHBondContact O-N 3.09Å; R1095-R1097 VanDerWaalsContact O-N 3.11Å; R1095-D1098 PolarHBondContact O-N 3.34Å
1096	S	79.4	Confident	90.5	Very high	89 Å²	89	89.7 Å²	89.7	62%	0.622	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-67	-10.5	-176	54.6	0	0	0	0	114.5	G1094	G1094-S1096 VanDerWaalsContact C-N 3.29Å; G1094-S1096 PolarHBondContact O-N 3.33Å
1097	R	81.7	Confident	90.7	Very high	162 Å²	162	86.3 Å²	86.3	61%	0.611	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-120.1	21.3	-178.8	-62.3	-178.3	175.7	179	-2.3	112.4	P1083 G1094 R1095 G1099	P1083-R1097 WeakPolarHBondContact CG-O 3.11Å; G1094-R1097 PolarHBondContact O-N 3.36Å; R1095-R1097 PolarHBondContact O-N 3.09Å; R1095-R1097 VanDerWaalsContact O-N 3.11Å; R1097-G1099 PolarHBondContact O-N 3.12Å
1098	D	82.9	Confident	90.8	Very high	52 Å²	52	84.7 Å²	84.7	28%	0.278	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	43	-173.2	-59.7	-35.9	0	0	0	112.2	R915 R1079 R1095	R915-D1098 IonicContact CZ-OD2 3.69Å; R915-D1098 IonicContact NE-OD2 3.12Å; R915-D1098 IonicContact NH1-OD2 3.83Å; R915-D1098 PolarHBondContact NH1-OD2 2.84Å; R1079-D1098 PolarHBondContact NH1-O 3.14Å; R1095-D1098 PolarHBondContact O-N 3.34Å
1099	G	87.8	Confident	91	Very high	0 Å²	0	87 Å²	87	0%	0	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-64.2	170.1	180	0	0	0	0	0	113.8	H1077 R1079 M1092 G1094 R1097	H1077-G1099 PolarHBondContact CE1-O 2.96Å; H1077-G1099 PolarHBondContact NE2-O 3.34Å; R1079-G1099 VanDerWaalsContact CD-O 3.26Å; R1079-G1099 WeakPolarHBondContact CD-O 3.46Å; M1092-G1099 CarbonylContact O-C 3.51Å; M1092-G1099 WeakPolarHBondContact O-CA 3.24Å; G1094-G1099 WeakPolarHBondContact O-CA 3.38Å; G1094-G1099 PolarHBondContact O-N 2.65Å; R1097-G1099 PolarHBondContact O-N 3.12Å
1100	G	88.9	Confident	91.2	Very high	24 Å²	24	84.9 Å²	84.9	25%	0.247	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-90.7	167	170.8	0	0	0	0	0	112.6	M1092	M1092-G1100 PolarHBondContact O-N 3.21Å
1101	L	93.1	Very high	91.3	Very high	154 Å²	154	83.8 Å²	83.8	81%	0.806	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-84.8	142.7	165.6	-64.4	176.2	0	0	0	109.6	F1103	L1101-F1103 PolarHBondContact O-N 3.03Å
1102	R	93.3	Very high	91.4	Very high	230 Å²	230	86.9 Å²	86.9	87%	0.868	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-77.5	122.9	177.5	-175.9	175.7	179.3	176.6	-1.6	109.7
1103	F	94.5	Very high	91.7	Very high	65 Å²	65	89.2 Å²	89.2	29%	0.285	46%	0.457	S	S	.	.			trans	-95.7	103	164.9	-170.3	-93.9	0	0	0	107.7	L1101 E1107 R1108 Q1111 L1120 L1124	L1101-F1103 PolarHBondContact O-N 3.03Å; F1103-E1107 HydrophobicContact CD1-CB 4.47Å; F1103-E1107 HydrophobicContact CD2-CB 3.78Å; F1103-E1107 HydrophobicContact CD2-CG 4.49Å; F1103-E1107 HydrophobicContact CE1-CB 4.27Å; F1103-E1107 HydrophobicContact CE2-CB 3.53Å; F1103-E1107 HydrophobicContact CG-CB 4.25Å; F1103-E1107 HydrophobicContact CZ-CB 3.8Å; F1103-R1108 HydrophobicContact CE1-CB 3.9Å; F1103-Q1111 HydrophobicContact CE2-CG 4.44Å; F1103-Q1111 HydrophobicContact CZ-CG 3.86Å; F1103-L1120 HydrophobicContact CE1-CD1 3.91Å; F1103-L1120 HydrophobicContact CZ-CD1 4.25Å; F1103-L1124 HydrophobicContact CD1-CD2 3.81Å; F1103-L1124 HydrophobicContact CD1-CG 4.43Å; F1103-L1124 HydrophobicContact CE1-CD2 4.26Å; F1103-L1124 HydrophobicContact CE1-CG 4.46Å
1104	G	94.4	Very high	92	Very high	14 Å²	14	89.2 Å²	89.2	14%	0.144	46%	0.457	C	S	.	.			trans	-87.8	-173.6	-170.4	0	0	0	0	0	113.8	E1107 R1108	G1104-E1107 WeakPolarHBondContact CA-OE2 3.25Å; G1104-E1107 PolarHBondContact N-OE2 3.2Å; G1104-R1108 WeakPolarHBondContact O-CB 3.45Å; G1104-R1108 PolarHBondContact O-N 3.41Å
1105	E	96.1	Very high	92.6	Very high	132 Å²	132	90.1 Å²	90.1	62%	0.617	47%	0.467	S	S	*	.	H	α-helix	trans	-66	-38.2	177.2	65.6	-166.2	-175.1	0	0	112.2	R1108 D1109	E1105-R1108 WeakPolarHBondContact O-CB 3.18Å; E1105-R1108 PolarHBondContact O-N 3.49Å; E1105-D1109 WeakPolarHBondContact O-CB 3.28Å; E1105-D1109 PolarHBondContact O-N 2.81Å
1106	M	96.7	Very high	93.3	Very high	138 Å²	138	88.7 Å²	88.7	68%	0.68	47%	0.468	S	S	*	.	H	α-helix	trans	-66.8	-44.6	178.3	-66.3	-177.3	179.4	0	0	111.2	R1108 D1109 C1110	M1106-R1108 VanDerWaalsContact C-N 3.32Å; M1106-R1108 PolarHBondContact O-N 3.12Å; M1106-D1109 PolarHBondContact O-N 3.29Å; M1106-C1110 PolarHBondContact O-N 2.85Å; M1106-C1110 PolarHBondContact O-SG 2.8Å
1107	E	96.1	Very high	94.1	Very high	90 Å²	90	87.8 Å²	87.8	42%	0.421	47%	0.466	S	S	.	.	H	α-helix	trans	-65	-38.7	177	-64.1	77.5	-169.8	0	0	111.5	F1103 G1104 C1110 Q1111	F1103-E1107 HydrophobicContact CD1-CB 4.47Å; F1103-E1107 HydrophobicContact CD2-CB 3.78Å; F1103-E1107 HydrophobicContact CD2-CG 4.49Å; F1103-E1107 HydrophobicContact CE1-CB 4.27Å; F1103-E1107 HydrophobicContact CE2-CB 3.53Å; F1103-E1107 HydrophobicContact CG-CB 4.25Å; F1103-E1107 HydrophobicContact CZ-CB 3.8Å; G1104-E1107 WeakPolarHBondContact CA-OE2 3.25Å; G1104-E1107 PolarHBondContact N-OE2 3.2Å; E1107-C1110 PolarHBondContact O-N 2.78Å; E1107-Q1111 WeakPolarHBondContact O-CG 3.2Å; E1107-Q1111 PolarHBondContact O-N 3.06Å; E1107-Q1111 VanDerWaalsContact O-N 3.17Å
1108	R	96.3	Very high	94.8	Very high	96 Å²	96	87.8 Å²	87.8	36%	0.362	47%	0.473	S	S	.	.	H	α-helix	trans	-57.9	-50.2	171.7	177	-157.6	69.6	-159.1	-4.7	110.7	F1103 G1104 E1105 M1106 C1110 Q1111 I1112 L1120 L1124	F1103-R1108 HydrophobicContact CE1-CB 3.9Å; G1104-R1108 WeakPolarHBondContact O-CB 3.45Å; G1104-R1108 PolarHBondContact O-N 3.41Å; E1105-R1108 WeakPolarHBondContact O-CB 3.18Å; E1105-R1108 PolarHBondContact O-N 3.49Å; M1106-R1108 VanDerWaalsContact C-N 3.32Å; M1106-R1108 PolarHBondContact O-N 3.12Å; R1108-C1110 VanDerWaalsContact C-N 3.31Å; R1108-C1110 PolarHBondContact O-N 2.76Å; R1108-Q1111 PolarHBondContact O-N 3.41Å; R1108-I1112 HydrophobicContact CG-CD1 4Å; R1108-I1112 WeakPolarHBondContact O-CG1 3.15Å; R1108-I1112 PolarHBondContact O-N 3.09Å; R1108-L1120 HydrophobicContact CB-CD1 4.07Å; R1108-L1120 HydrophobicContact CG-CD1 3.58Å; R1108-L1120 HydrophobicContact CG-CD2 4.25Å; R1108-L1120 HydrophobicContact CG-CG 4.44Å; R1108-L1124 HydrophobicContact CG-CD1 4.18Å
1109	D	97.5	Very high	95.5	Very high	76 Å²	76	89 Å²	89	41%	0.406	48%	0.476	S	S	.	.	H	α-helix	trans	-65.9	-35	-175.9	-68.1	-8.9	0	0	0	111.9	E1105 M1106 Q1111 I1112 A1113	E1105-D1109 WeakPolarHBondContact O-CB 3.28Å; E1105-D1109 PolarHBondContact O-N 2.81Å; M1106-D1109 PolarHBondContact O-N 3.29Å; D1109-Q1111 VanDerWaalsContact C-N 3.35Å; D1109-Q1111 PolarHBondContact O-N 2.92Å; D1109-I1112 PolarHBondContact O-N 3.5Å; D1109-A1113 WeakPolarHBondContact O-CB 3.19Å; D1109-A1113 PolarHBondContact O-N 3Å
1110	C	97.7	Very high	95.9	Very high	70 Å²	70	90.3 Å²	90.3	47%	0.473	48%	0.483	S	S	.	.	H	α-helix	trans	-59.8	-42.6	169.7	-69.9	0	0	0	0	112.3	M1106 E1107 R1108 I1112 A1113 H1114	M1106-C1110 PolarHBondContact O-N 2.85Å; M1106-C1110 PolarHBondContact O-SG 2.8Å; E1107-C1110 PolarHBondContact O-N 2.78Å; R1108-C1110 VanDerWaalsContact C-N 3.31Å; R1108-C1110 PolarHBondContact O-N 2.76Å; C1110-I1112 VanDerWaalsContact C-N 3.35Å; C1110-A1113 WeakPolarHBondContact O-CB 3.47Å; C1110-A1113 PolarHBondContact O-N 2.55Å; C1110-H1114 PolarHBondContact O-CD2 2.86Å; C1110-H1114 PolarHBondContact O-N 3.1Å
1111	Q	96.8	Very high	96.3	Very high	43 Å²	43	96.2 Å²	96.2	20%	0.201	50%	0.498	C	S	.	.	H	α-helix	trans	-70.4	-32.2	177.7	-64.4	-55.1	-41.8	0	0	112.7	F1103 E1107 R1108 D1109 H1114 G1115 A1116 F1119 L1120	F1103-Q1111 HydrophobicContact CE2-CG 4.44Å; F1103-Q1111 HydrophobicContact CZ-CG 3.86Å; E1107-Q1111 WeakPolarHBondContact O-CG 3.2Å; E1107-Q1111 PolarHBondContact O-N 3.06Å; E1107-Q1111 VanDerWaalsContact O-N 3.17Å; R1108-Q1111 PolarHBondContact O-N 3.41Å; D1109-Q1111 VanDerWaalsContact C-N 3.35Å; D1109-Q1111 PolarHBondContact O-N 2.92Å; Q1111-H1114 PolarHBondContact O-N 2.83Å; Q1111-G1115 PolarHBondContact O-N 2.82Å; Q1111-A1116 PolarHBondContact O-N 2.97Å; Q1111-F1119 HydrophobicContact CG-CD1 3.81Å; Q1111-F1119 HydrophobicContact CG-CE1 3.83Å; Q1111-F1119 VanDerWaalsContact OE1-CD1 3.27Å; Q1111-L1120 HydrophobicContact CB-CB 4.43Å; Q1111-L1120 HydrophobicContact CB-CD1 3.95Å
1112	I	97.5	Very high	96.4	Very high	98 Å²	98	92.9 Å²	92.9	50%	0.503	48%	0.478	S	S	.	.	H	α-helix	trans	-63	-45.5	169.7	-65.3	170.6	0	0	0	109.7	R1108 D1109 C1110 H1114 G1115 L1120	R1108-I1112 HydrophobicContact CG-CD1 4Å; R1108-I1112 WeakPolarHBondContact O-CG1 3.15Å; R1108-I1112 PolarHBondContact O-N 3.09Å; D1109-I1112 PolarHBondContact O-N 3.5Å; C1110-I1112 VanDerWaalsContact C-N 3.35Å; I1112-H1114 VanDerWaalsContact C-N 3.32Å; I1112-H1114 PolarHBondContact O-N 2.83Å; I1112-G1115 PolarHBondContact O-N 3.46Å; I1112-L1120 HydrophobicContact CD1-CD2 4.23Å; I1112-L1120 HydrophobicContact CG1-CD2 3.6Å
1113	A	97.8	Very high	96.5	Very high	88 Å²	88	86.6 Å²	86.6	73%	0.727	45%	0.454	S	S	*	.	H	α-helix	trans	-62.3	-36	178.3	0	0	0	0	0	112.9	D1109 C1110 G1115	D1109-A1113 WeakPolarHBondContact O-CB 3.19Å; D1109-A1113 PolarHBondContact O-N 3Å; C1110-A1113 WeakPolarHBondContact O-CB 3.47Å; C1110-A1113 PolarHBondContact O-N 2.55Å; A1113-G1115 VanDerWaalsContact C-N 3.25Å; A1113-G1115 PolarHBondContact O-N 2.82Å
1114	H	97.6	Very high	96.5	Very high	150 Å²	150	87 Å²	87	69%	0.694	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-16.2	171.2	-76.1	-62.4	0	0	0	113.9	C1110 Q1111 I1112 A1116	C1110-H1114 PolarHBondContact O-CD2 2.86Å; C1110-H1114 PolarHBondContact O-N 3.1Å; Q1111-H1114 PolarHBondContact O-N 2.83Å; I1112-H1114 VanDerWaalsContact C-N 3.32Å; I1112-H1114 PolarHBondContact O-N 2.83Å; H1114-A1116 VanDerWaalsContact C-N 3.29Å; H1114-A1116 HydrophobicContact CB-CB 4.36Å
1115	G	96.6	Very high	96.6	Very high	60 Å²	60	87.3 Å²	87.3	62%	0.619	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	16.2	-172.4	0	0	0	0	0	114	Q1111 I1112 A1113 A1117	Q1111-G1115 PolarHBondContact O-N 2.82Å; I1112-G1115 PolarHBondContact O-N 3.46Å; A1113-G1115 VanDerWaalsContact C-N 3.25Å; A1113-G1115 PolarHBondContact O-N 2.82Å; G1115-A1117 PolarHBondContact O-N 2.95Å
1116	A	97.1	Very high	96.5	Very high	31 Å²	31	85.7 Å²	85.7	26%	0.256	45%	0.447	S	S	.	.			trans	-81.1	54	-175.5	0	0	0	0	0	112.4	Q1111 H1114 Q1118 F1119 L1120	Q1111-A1116 PolarHBondContact O-N 2.97Å; H1114-A1116 VanDerWaalsContact C-N 3.29Å; H1114-A1116 HydrophobicContact CB-CB 4.36Å; A1116-Q1118 VanDerWaalsContact C-N 3.29Å; A1116-Q1118 PolarHBondContact O-N 2.85Å; A1116-F1119 HydrophobicContact CB-CB 4.12Å; A1116-F1119 WeakPolarHBondContact O-CB 3.37Å; A1116-F1119 PolarHBondContact O-N 3.3Å; A1116-F1119 VanDerWaalsContact O-N 3.1Å; A1116-L1120 PolarHBondContact O-N 2.98Å
1117	A	96.8	Very high	96.4	Very high	71 Å²	71	81.9 Å²	81.9	59%	0.587	44%	0.438	S	S	*	.	H	α-helix	trans	-58.3	-36.1	-171.9	0	0	0	0	0	113.7	G1115 L1120 R1121	G1115-A1117 PolarHBondContact O-N 2.95Å; A1117-L1120 PolarHBondContact O-N 3.49Å; A1117-R1121 WeakPolarHBondContact O-CB 3.44Å; A1117-R1121 PolarHBondContact O-N 2.71Å
1118	Q	96.5	Very high	96.2	Very high	161 Å²	161	79 Å²	79	75%	0.752	43%	0.428	S	S	*	.	H	α-helix	trans	-66.3	-44.2	176.5	-68.3	-172.2	4	0	0	112	A1116 R1121 E1122	A1116-Q1118 VanDerWaalsContact C-N 3.29Å; A1116-Q1118 PolarHBondContact O-N 2.85Å; Q1118-R1121 PolarHBondContact O-N 2.92Å; Q1118-E1122 WeakPolarHBondContact O-CB 3.36Å; Q1118-E1122 PolarHBondContact O-N 3.09Å
1119	F	97	Very high	96.1	Very high	79 Å²	79	74.8 Å²	74.8	35%	0.346	41%	0.412	S	S	.	.	H	α-helix	trans	-63.8	-42.8	175.7	176.9	-102.7	0	0	0	110.9	Q1111 A1116 R1121 E1122 R1123	Q1111-F1119 HydrophobicContact CG-CD1 3.81Å; Q1111-F1119 HydrophobicContact CG-CE1 3.83Å; Q1111-F1119 VanDerWaalsContact OE1-CD1 3.27Å; A1116-F1119 HydrophobicContact CB-CB 4.12Å; A1116-F1119 WeakPolarHBondContact O-CB 3.37Å; A1116-F1119 PolarHBondContact O-N 3.3Å; A1116-F1119 VanDerWaalsContact O-N 3.1Å; F1119-R1121 VanDerWaalsContact C-N 3.35Å; F1119-R1121 PolarHBondContact O-N 3.05Å; F1119-E1122 WeakPolarHBondContact O-CB 3.38Å; F1119-E1122 PolarHBondContact O-N 3.24Å; F1119-E1122 VanDerWaalsContact O-N 3.1Å; F1119-R1123 HydrophobicContact CD1-CG 4.11Å; F1119-R1123 HydrophobicContact CD2-CG 4.24Å; F1119-R1123 HydrophobicContact CE1-CG 3.67Å; F1119-R1123 HydrophobicContact CE2-CG 3.82Å; F1119-R1123 HydrophobicContact CG-CG 4.38Å; F1119-R1123 HydrophobicContact CZ-CG 3.52Å; F1119-R1123 WeakPolarHBondContact O-CG 3.21Å; F1119-R1123 PolarHBondContact O-N 2.93Å
1120	L	96.5	Very high	96.1	Very high	27 Å²	27	74.6 Å²	74.6	14%	0.141	42%	0.415	C	S	.	.	H	α-helix	trans	-58.8	-46.2	175.8	-171.4	67.5	0	0	0	111.7	F1103 R1108 Q1111 I1112 A1116 A1117 E1122 R1123 L1124	F1103-L1120 HydrophobicContact CE1-CD1 3.91Å; F1103-L1120 HydrophobicContact CZ-CD1 4.25Å; R1108-L1120 HydrophobicContact CB-CD1 4.07Å; R1108-L1120 HydrophobicContact CG-CD1 3.58Å; R1108-L1120 HydrophobicContact CG-CD2 4.25Å; R1108-L1120 HydrophobicContact CG-CG 4.44Å; Q1111-L1120 HydrophobicContact CB-CB 4.43Å; Q1111-L1120 HydrophobicContact CB-CD1 3.95Å; I1112-L1120 HydrophobicContact CD1-CD2 4.23Å; I1112-L1120 HydrophobicContact CG1-CD2 3.6Å; A1116-L1120 PolarHBondContact O-N 2.98Å; A1117-L1120 PolarHBondContact O-N 3.49Å; L1120-E1122 VanDerWaalsContact C-N 3.32Å; L1120-E1122 PolarHBondContact O-N 3.44Å; L1120-R1123 PolarHBondContact O-N 2.93Å; L1120-L1124 HydrophobicContact CD1-CD1 3.94Å; L1120-L1124 HydrophobicContact CD1-CG 4.35Å; L1120-L1124 HydrophobicContact CG-CD1 4.07Å; L1120-L1124 WeakPolarHBondContact O-CB 3.5Å; L1120-L1124 PolarHBondContact O-N 3.02Å
1121	R	95.9	Very high	96	Very high	148 Å²	148	74.7 Å²	74.7	56%	0.558	41%	0.406	S	S	*	.	H	α-helix	trans	-61	-41.3	173.5	-174.2	-178.8	70.7	172.4	2	111.3	A1117 Q1118 F1119 F1125 F1126	A1117-R1121 WeakPolarHBondContact O-CB 3.44Å; A1117-R1121 PolarHBondContact O-N 2.71Å; Q1118-R1121 PolarHBondContact O-N 2.92Å; F1119-R1121 VanDerWaalsContact C-N 3.35Å; F1119-R1121 PolarHBondContact O-N 3.05Å; R1121-F1125 VanDerWaalsContact O-CB 3.23Å; R1121-F1125 WeakPolarHBondContact O-CB 3.34Å; R1121-F1125 PolarHBondContact O-N 3.29Å; R1121-F1126 HydrophobicContact CG-CE2 4.35Å
1122	E	95.9	Very high	95.9	Very high	83 Å²	83	77 Å²	77	39%	0.388	42%	0.417	S	S	.	.	I	π-helix	trans	-60.8	-49.8	177.5	-166.6	-164.3	145.2	0	0	112.3	Q1118 F1119 L1120 F1126 A1127	Q1118-E1122 WeakPolarHBondContact O-CB 3.36Å; Q1118-E1122 PolarHBondContact O-N 3.09Å; F1119-E1122 WeakPolarHBondContact O-CB 3.38Å; F1119-E1122 PolarHBondContact O-N 3.24Å; F1119-E1122 VanDerWaalsContact O-N 3.1Å; L1120-E1122 VanDerWaalsContact C-N 3.32Å; L1120-E1122 PolarHBondContact O-N 3.44Å; E1122-F1126 HydrophobicContact CG-CB 4.38Å; E1122-F1126 PolarHBondContact O-N 3.06Å; E1122-A1127 WeakPolarHBondContact O-CB 3.49Å; E1122-A1127 PolarHBondContact O-N 2.96Å
1123	R	94.6	Very high	95.7	Very high	98 Å²	98	72.8 Å²	72.8	37%	0.37	40%	0.396	S	S	.	.	I	π-helix	trans	-66	-48.2	-178	-66.1	-61.8	97.6	170.7	4.5	112.5	F1119 L1120	F1119-R1123 HydrophobicContact CD1-CG 4.11Å; F1119-R1123 HydrophobicContact CD2-CG 4.24Å; F1119-R1123 HydrophobicContact CE1-CG 3.67Å; F1119-R1123 HydrophobicContact CE2-CG 3.82Å; F1119-R1123 HydrophobicContact CG-CG 4.38Å; F1119-R1123 HydrophobicContact CZ-CG 3.52Å; F1119-R1123 WeakPolarHBondContact O-CG 3.21Å; F1119-R1123 PolarHBondContact O-N 2.93Å; L1120-R1123 PolarHBondContact O-N 2.93Å
1124	L	95.7	Very high	95.5	Very high	75 Å²	75	70.1 Å²	70.1	39%	0.393	37%	0.367	S	S	.	.	I	π-helix	trans	-78.5	-23.2	-175.7	-68.9	179.6	0	0	0	114	F1103 R1108 L1120	F1103-L1124 HydrophobicContact CD1-CD2 3.81Å; F1103-L1124 HydrophobicContact CD1-CG 4.43Å; F1103-L1124 HydrophobicContact CE1-CD2 4.26Å; F1103-L1124 HydrophobicContact CE1-CG 4.46Å; R1108-L1124 HydrophobicContact CG-CD1 4.18Å; L1120-L1124 HydrophobicContact CD1-CD1 3.94Å; L1120-L1124 HydrophobicContact CD1-CG 4.35Å; L1120-L1124 HydrophobicContact CG-CD1 4.07Å; L1120-L1124 WeakPolarHBondContact O-CB 3.5Å; L1120-L1124 PolarHBondContact O-N 3.02Å
1125	F	95.5	Very high	95.3	Very high	20 Å²	20	63 Å²	63	9%	0.088	33%	0.334	C	S	.	.	I	π-helix	trans	-116.9	-65.3	-176.6	177.1	-128.9	0	0	0	112.7	R1121 A1127 S1128 D1129 P1130 K1167 L1168 P1169	R1121-F1125 VanDerWaalsContact O-CB 3.23Å; R1121-F1125 WeakPolarHBondContact O-CB 3.34Å; R1121-F1125 PolarHBondContact O-N 3.29Å; F1125-A1127 PolarHBondContact O-N 2.93Å; F1125-S1128 PolarHBondContact O-N 3.43Å; F1125-D1129 PolarHBondContact O-N 2.92Å; F1125-P1130 VanDerWaalsContact CE2-CA 3.48Å; F1125-P1130 HydrophobicContact CE2-CB 4.17Å; F1125-P1130 HydrophobicContact CZ-CB 4.27Å; F1125-P1130 WeakPolarHBondContact O-CD 3.45Å; F1125-K1167 HydrophobicContact CE1-CB 4.07Å; F1125-K1167 HydrophobicContact CZ-CB 3.82Å; F1125-L1168 WeakPolarHBondContact CE2-O 3.5Å; F1125-P1169 HydrophobicContact CD2-CB 4.15Å; F1125-P1169 HydrophobicContact CD2-CG 3.73Å; F1125-P1169 HydrophobicContact CE2-CG 4.43Å; F1125-P1169 HydrophobicContact CG-CG 4.46Å
1126	F	94.4	Very high	95.1	Very high	97 Å²	97	60.1 Å²	60.1	43%	0.425	30%	0.304	S	S	.	.	I	π-helix	trans	-69.7	-36.1	-170.3	-71.1	-67.9	0	0	0	114.1	R1121 E1122 P1130	R1121-F1126 HydrophobicContact CG-CE2 4.35Å; E1122-F1126 HydrophobicContact CG-CB 4.38Å; E1122-F1126 PolarHBondContact O-N 3.06Å; F1126-P1130 HydrophobicContact CD1-CB 4.48Å
1127	A	93.7	Very high	94.8	Very high	58 Å²	58	61 Å²	61	48%	0.479	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-12.3	-177.8	0	0	0	0	0	114.1	E1122 F1125	E1122-A1127 WeakPolarHBondContact O-CB 3.49Å; E1122-A1127 PolarHBondContact O-N 2.96Å; F1125-A1127 PolarHBondContact O-N 2.93Å
1128	S	93.2	Very high	94.5	Very high	31 Å²	31	62.1 Å²	62.1	22%	0.217	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-73.8	-174.9	168.6	0	0	0	0	111.7	F1125	F1125-S1128 PolarHBondContact O-N 3.43Å
1129	D	94.6	Very high	94.2	Very high	7 Å²	7	54.8 Å²	54.8	4%	0.037	27%	0.267	C	S	.	.			trans	-143.5	57.8	-168.2	59.9	-55.6	0	0	0	112.7	Q1090 F1125 Y1131 P1169 Y1170 A1171	Q1090-D1129 HydrophobicContact CG-CB 4.13Å; F1125-D1129 PolarHBondContact O-N 2.92Å; D1129-Y1131 PolarHBondContact O-N 2.73Å; D1129-P1169 WeakPolarHBondContact O-CA 3.33Å; D1129-P1169 VanDerWaalsContact OD2-CB 3.28Å; D1129-P1169 WeakPolarHBondContact OD2-CB 3.34Å; D1129-Y1170 PolarHBondContact O-N 2.99Å; D1129-Y1170 PolarHBondContact OD2-N 3.37Å; D1129-A1171 PolarHBondContact OD2-N 3.12Å
1130	P	96.1	Very high	94	Very high	72 Å²	72	51 Å²	51	47%	0.468	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	122.1	179.2	27.6	-33.5	0	0	0	111	F1125 F1126	F1125-P1130 VanDerWaalsContact CE2-CA 3.48Å; F1125-P1130 HydrophobicContact CE2-CB 4.17Å; F1125-P1130 HydrophobicContact CZ-CB 4.27Å; F1125-P1130 WeakPolarHBondContact O-CD 3.45Å; F1126-P1130 HydrophobicContact CD1-CB 4.48Å
1131	Y	96.2	Very high	93.8	Very high	71 Å²	71	51.1 Å²	51.1	28%	0.278	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.9	179.8	-159.6	-114.1	0	0	0	112	D1129 V1133 K1167 L1168 Y1170 K1173	D1129-Y1131 PolarHBondContact O-N 2.73Å; Y1131-V1133 HydrophobicContact CD1-CG1 3.77Å; Y1131-V1133 HydrophobicContact CE1-CG1 3.72Å; Y1131-K1167 WeakPolarHBondContact O-CA 3.46Å; Y1131-L1168 CarbonylContact C-O 3.56Å; Y1131-L1168 WeakPolarHBondContact CB-O 3.49Å; Y1131-L1168 PolarHBondContact N-O 3.08Å; Y1131-L1168 PolarHBondContact O-N 3.12Å; Y1131-Y1170 AromaticContact CD1-CD2 3.79Å; Y1131-Y1170 HydrophobicContact CD1-CD2 3.79Å; Y1131-Y1170 HydrophobicContact CD1-CE2 4.47Å; Y1131-Y1170 AromaticContact CD2-CD2 3.74Å; Y1131-Y1170 HydrophobicContact CD2-CD2 3.74Å; Y1131-Y1170 HydrophobicContact CD2-CE2 4.47Å; Y1131-Y1170 AromaticContact CE1-CD2 3.94Å; Y1131-Y1170 HydrophobicContact CE1-CD2 3.94Å; Y1131-Y1170 HydrophobicContact CE1-CE2 4.17Å; Y1131-Y1170 AromaticContact CE2-CD2 3.9Å; Y1131-Y1170 HydrophobicContact CE2-CD2 3.9Å; Y1131-Y1170 HydrophobicContact CE2-CE2 4.18Å; Y1131-Y1170 AromaticContact CG-CD2 3.69Å; Y1131-Y1170 HydrophobicContact CG-CD2 3.69Å; Y1131-Y1170 HydrophobicContact CG-CG 4.49Å; Y1131-Y1170 AromaticContact CZ-CD2 4Å; Y1131-K1173 HydrophobicContact CD1-CB 4.42Å; Y1131-K1173 HydrophobicContact CD1-CG 4.37Å; Y1131-K1173 HydrophobicContact CE1-CD 4.33Å; Y1131-K1173 HydrophobicContact CE1-CG 4.26Å
1132	Q	94	Very high	93.7	Very high	93 Å²	93	47 Å²	47	44%	0.435	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.6	-178.4	-53.5	-172.7	-7.5	0	0	109.1	L1165 V1166 K1167	Q1132-L1165 HydrophobicContact CB-CD1 3.9Å; Q1132-V1166 WeakPolarHBondContact CA-O 3.3Å; Q1132-K1167 HydrophobicContact CG-CG 4.22Å
1133	V	93.9	Very high	93.5	Very high	8 Å²	8	43.6 Å²	43.6	5%	0.048	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.1	176.7	-63.2	0	0	0	0	110.4	Y1131 V1135 I1142 V1166 L1168 K1173	Y1131-V1133 HydrophobicContact CD1-CG1 3.77Å; Y1131-V1133 HydrophobicContact CE1-CG1 3.72Å; V1133-V1135 HydrophobicContact CG2-CG2 4.05Å; V1133-I1142 HydrophobicContact CB-CG2 4.46Å; V1133-V1166 HydrophobicContact CG2-CB 4.32Å; V1133-V1166 PolarHBondContact N-O 3.44Å; V1133-V1166 PolarHBondContact O-N 3.39Å; V1133-L1168 HydrophobicContact CG2-CD1 4.49Å; V1133-L1168 HydrophobicContact CG2-CD2 3.4Å; V1133-L1168 VanDerWaalsContact CG2-CD2 3.4Å; V1133-L1168 HydrophobicContact CG2-CG 3.93Å; V1133-K1173 HydrophobicContact CG1-CG 3.99Å
1134	Y	93.1	Very high	93.5	Very high	32 Å²	32	41.9 Å²	41.9	13%	0.125	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.8	173	-68.3	-93.7	0	0	0	108.5	I1142 A1143 A1145 Q1147 Y1152 I1163 S1164 L1165	Y1134-I1142 CarbonylContact O-C 3.6Å; Y1134-I1142 WeakPolarHBondContact O-CA 3.4Å; Y1134-A1143 PolarHBondContact O-N 2.9Å; Y1134-A1145 HydrophobicContact CD1-CB 4.39Å; Y1134-A1145 HydrophobicContact CD2-CB 3.16Å; Y1134-A1145 HydrophobicContact CE2-CB 3.69Å; Y1134-A1145 HydrophobicContact CG-CB 3.56Å; Y1134-Q1147 HydrophobicContact CE2-CG 4.15Å; Y1134-Y1152 AromaticContact CD1-CD1 3.69Å; Y1134-Y1152 HydrophobicContact CD1-CD1 3.69Å; Y1134-Y1152 AromaticContact CD1-CE1 3.54Å; Y1134-Y1152 HydrophobicContact CD1-CE1 3.54Å; Y1134-Y1152 HydrophobicContact CD2-CE1 4.29Å; Y1134-Y1152 AromaticContact CE1-CD1 3.81Å; Y1134-Y1152 HydrophobicContact CE1-CD1 3.81Å; Y1134-Y1152 AromaticContact CE1-CE1 3.14Å; Y1134-Y1152 HydrophobicContact CE1-CE1 3.14Å; Y1134-Y1152 AromaticContact CE1-CZ 3.56Å; Y1134-Y1152 AromaticContact CE2-CE1 3.97Å; Y1134-Y1152 HydrophobicContact CE2-CE1 3.97Å; Y1134-Y1152 HydrophobicContact CG-CD1 4.08Å; Y1134-Y1152 HydrophobicContact CG-CE1 4.08Å; Y1134-Y1152 AromaticContact CZ-CE1 3.38Å; Y1134-Y1152 AromaticContact CZ-CZ 3.89Å; Y1134-Y1152 PolarHBondContact OH-OH 2.84Å; Y1134-I1163 HydrophobicContact CD1-CG2 4.15Å; Y1134-I1163 HydrophobicContact CG-CG2 4.44Å; Y1134-S1164 WeakPolarHBondContact CA-O 3.46Å; Y1134-L1165 HydrophobicContact CD1-CB 4.38Å; Y1134-L1165 HydrophobicContact CD1-CD1 4.15Å; Y1134-L1165 HydrophobicContact CD2-CD1 4.12Å; Y1134-L1165 HydrophobicContact CE1-CB 4.21Å; Y1134-L1165 HydrophobicContact CE1-CD1 3.88Å; Y1134-L1165 HydrophobicContact CE2-CD1 3.85Å; Y1134-L1165 HydrophobicContact CG-CD1 4.28Å
1135	V	93.5	Very high	93.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.2	-175.7	-177.8	0	0	0	0	108.8	V1133 G1140 L1141 I1163 S1164 V1166 M1188	V1133-V1135 HydrophobicContact CG2-CG2 4.05Å; V1135-G1140 WeakPolarHBondContact CG1-O 3.33Å; V1135-L1141 WeakPolarHBondContact CA-O 3.26Å; V1135-I1163 WeakPolarHBondContact O-CA 3.5Å; V1135-S1164 PolarHBondContact N-O 3.4Å; V1135-S1164 PolarHBondContact O-N 2.84Å; V1135-V1166 HydrophobicContact CB-CG2 4.25Å; V1135-V1166 HydrophobicContact CG2-CB 4.22Å; V1135-V1166 HydrophobicContact CG2-CG2 3.79Å; V1135-M1188 HydrophobicContact CG1-CB 4.12Å; V1135-M1188 HydrophobicContact CG1-CE 4.21Å; V1135-M1188 HydrophobicContact CG2-CE 3.51Å; V1135-M1188 HydrophobicContact CG2-SD 4.16Å
1136	C	93.3	Very high	92.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126.7	174.6	-176.3	0	0	0	0	110.5	L1138 C1139 G1140 L1141 A1143 C1154 N1159	C1136-L1138 PolarHBondContact O-N 2.72Å; C1136-L1138 VanDerWaalsContact O-N 3.16Å; C1136-C1139 VanDerWaalsContact CB-SG 3.57Å; C1136-G1140 WeakPolarHBondContact O-CA 3.11Å; C1136-G1140 PolarHBondContact O-N 2.84Å; C1136-L1141 PolarHBondContact N-O 2.67Å; C1136-A1143 HydrophobicContact CB-CB 4.48Å; C1136-C1154 HydrophobicContact CB-CB 3.64Å; C1136-C1154 VanDerWaalsContact SG-CB 3.5Å; C1136-C1154 VanDerWaalsContact SG-SG 3.69Å; C1136-N1159 PolarHBondContact SG-ND2 2.85Å
1137	N	91	Very high	92.4	Very high	49 Å²	49	45.5 Å²	45.5	26%	0.262	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.3	-177	-66.5	-6.3	0	0	0	113.5	Q1162 S1164	N1137-Q1162 HydrophobicContact CB-CB 4.06Å; N1137-Q1162 WeakPolarHBondContact CB-O 3.25Å; N1137-Q1162 PolarHBondContact N-O 2.82Å; N1137-S1164 PolarHBondContact ND2-OG 2.79Å; N1137-S1164 VanDerWaalsContact ND2-OG 3.07Å; N1137-S1164 VanDerWaalsContact OD1-CB 3.3Å; N1137-S1164 WeakPolarHBondContact OD1-CB 3.23Å; N1137-S1164 PolarHBondContact OD1-OG 3.35Å; N1137-S1164 VanDerWaalsContact OD1-OG 3.07Å
1138	L	90	Very high	92.2	Very high	96 Å²	96	54.4 Å²	54.4	50%	0.503	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-48.8	179.7	-61.6	177.4	0	0	0	112.5	C1136 C1157 N1159	C1136-L1138 PolarHBondContact O-N 2.72Å; C1136-L1138 VanDerWaalsContact O-N 3.16Å; L1138-C1157 HydrophobicContact CB-CB 4.31Å; L1138-C1157 HydrophobicContact CD1-CB 4.05Å; L1138-N1159 HydrophobicContact CD1-CB 3.92Å
1139	C	90.7	Very high	92.1	Very high	7 Å²	7	58.8 Å²	58.8	5%	0.047	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-14.9	-176.1	64.1	0	0	0	0	114.8	C1136 L1141 C1157 R1187	C1136-C1139 VanDerWaalsContact CB-SG 3.57Å; C1139-L1141 HydrophobicContact CB-CG 4.46Å; C1139-L1141 PolarHBondContact O-N 2.9Å; C1139-C1157 WeakPolarHBondContact CB-SG 3.48Å; C1139-R1187 WeakPolarHBondContact O-CB 3.18Å; C1139-R1187 VanDerWaalsContact O-CD 3.3Å; C1139-R1187 WeakPolarHBondContact O-CD 3.46Å; C1139-R1187 WeakPolarHBondContact O-CG 3.49Å; C1139-R1187 PolarHBondContact O-NH1 2.85Å
1140	G	91.7	Very high	91.7	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	32%	0.321	C	S	.	.			trans	70.6	10.1	-176.5	0	0	0	0	0	115	V1135 C1136 M1188	V1135-G1140 WeakPolarHBondContact CG1-O 3.33Å; C1136-G1140 WeakPolarHBondContact O-CA 3.11Å; C1136-G1140 PolarHBondContact O-N 2.84Å; G1140-M1188 WeakPolarHBondContact CA-O 3.45Å; G1140-M1188 PolarHBondContact O-N 2.99Å
1141	L	93.3	Very high	91.4	Very high	28 Å²	28	66.6 Å²	66.6	15%	0.147	32%	0.32	C	S	.	.	S	Bend	trans	-93.7	158.1	177.3	-59.4	178.4	0	0	0	111.3	V1135 C1136 C1139 A1143 M1180 A1185	V1135-L1141 WeakPolarHBondContact CA-O 3.26Å; C1136-L1141 PolarHBondContact N-O 2.67Å; C1139-L1141 HydrophobicContact CB-CG 4.46Å; C1139-L1141 PolarHBondContact O-N 2.9Å; L1141-A1143 PolarHBondContact O-N 2.64Å; L1141-M1180 HydrophobicContact CD1-CE 4.28Å; L1141-M1180 HydrophobicContact CD2-CE 4.01Å; L1141-M1180 HydrophobicContact CD2-SD 4.34Å; L1141-A1185 HydrophobicContact CD2-CB 4.37Å
1142	I	93.9	Very high	91.3	Very high	61 Å²	61	66.3 Å²	66.3	31%	0.313	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-63.9	121.5	177.2	-58.9	172.9	0	0	0	109.1	V1133 Y1134 K1173 M1188	V1133-I1142 HydrophobicContact CB-CG2 4.46Å; Y1134-I1142 CarbonylContact O-C 3.6Å; Y1134-I1142 WeakPolarHBondContact O-CA 3.4Å; I1142-K1173 HydrophobicContact CD1-CG 4.18Å; I1142-M1188 HydrophobicContact CG1-CE 4Å
1143	A	92	Very high	91.2	Very high	12 Å²	12	66 Å²	66	10%	0.099	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-88.5	161	179.6	0	0	0	0	0	111.7	Y1134 C1136 L1141 C1154 I1163	Y1134-A1143 PolarHBondContact O-N 2.9Å; C1136-A1143 HydrophobicContact CB-CB 4.48Å; L1141-A1143 PolarHBondContact O-N 2.64Å; A1143-C1154 HydrophobicContact CB-CB 4.37Å; A1143-I1163 HydrophobicContact CB-CD1 4Å; A1143-I1163 HydrophobicContact CB-CG1 4.35Å; A1143-I1163 HydrophobicContact CB-CG2 4.11Å
1144	I	92.7	Very high	91.1	Very high	63 Å²	63	65.9 Å²	65.9	32%	0.323	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	127.9	173.2	-56.6	174.3	0	0	0	107.5	Y1152 E1153 R1155	I1144-Y1152 WeakPolarHBondContact O-CA 3.45Å; I1144-E1153 PolarHBondContact N-O 2.72Å; I1144-E1153 PolarHBondContact O-N 3.26Å; I1144-R1155 HydrophobicContact CD1-CG 4Å
1145	A	90.2	Very high	91	Very high	35 Å²	35	73.1 Å²	73.1	29%	0.289	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	109.3	-177	0	0	0	0	0	110.8	Y1134 Q1147 Y1152	Y1134-A1145 HydrophobicContact CD1-CB 4.39Å; Y1134-A1145 HydrophobicContact CD2-CB 3.16Å; Y1134-A1145 HydrophobicContact CE2-CB 3.69Å; Y1134-A1145 HydrophobicContact CG-CB 3.56Å; A1145-Q1147 PolarHBondContact O-N 3.46Å; A1145-Y1152 HydrophobicContact CB-CD1 3.6Å; A1145-Y1152 HydrophobicContact CB-CE1 3.85Å
1146	H	89.2	Confident	90.7	Very high	111 Å²	111	78 Å²	78	51%	0.514	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	87.4	170.8	-69.5	-74.7	0	0	0	109.3	R1148 N1149 K1150 T1151	H1146-R1148 PolarHBondContact O-N 2.93Å; H1146-N1149 PolarHBondContact O-N 2.79Å; H1146-N1149 VanDerWaalsContact O-N 3.16Å; H1146-K1150 PolarHBondContact O-N 2.88Å; H1146-T1151 WeakPolarHBondContact CB-OG1 3.49Å; H1146-T1151 PolarHBondContact N-O 3.28Å; H1146-T1151 PolarHBondContact O-N 2.94Å
1147	Q	84.7	Confident	90.5	Very high	121 Å²	121	80.1 Å²	80.1	57%	0.565	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-35.2	-178.9	-72.7	-177.6	-14	0	0	113.2	Y1134 A1145 N1149 K1150	Y1134-Q1147 HydrophobicContact CE2-CG 4.15Å; A1145-Q1147 PolarHBondContact O-N 3.46Å; Q1147-N1149 PolarHBondContact O-N 2.85Å; Q1147-K1150 PolarHBondContact O-N 2.97Å
1148	R	89	Confident	90.5	Very high	246 Å²	246	86.7 Å²	86.7	93%	0.928	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-42.2	179.1	-72	-173.8	-179.6	178.1	-0.2	112.8	H1146	H1146-R1148 PolarHBondContact O-N 2.93Å
1149	N	90	Very high	90.4	Very high	123 Å²	123	82.8 Å²	82.8	66%	0.658	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-1.3	-178.5	-63.1	5.9	0	0	0	112.1	H1146 Q1147 T1151	H1146-N1149 PolarHBondContact O-N 2.79Å; H1146-N1149 VanDerWaalsContact O-N 3.16Å; Q1147-N1149 PolarHBondContact O-N 2.85Å; N1149-T1151 HydrophobicContact CB-CG2 4.19Å; N1149-T1151 PolarHBondContact O-N 2.71Å; N1149-T1151 VanDerWaalsContact O-N 3.14Å
1150	K	87.2	Confident	90.4	Very high	171 Å²	171	86.8 Å²	86.8	74%	0.743	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	29.7	-170.2	-58.7	-177.4	-180	178	0	113.2	H1146 Q1147	H1146-K1150 PolarHBondContact O-N 2.88Å; Q1147-K1150 PolarHBondContact O-N 2.97Å
1151	T	90.5	Very high	90.2	Very high	72 Å²	72	92.4 Å²	92.4	44%	0.442	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128	176.2	54.1	0	0	0	0	110	H1146 N1149	H1146-T1151 WeakPolarHBondContact CB-OG1 3.49Å; H1146-T1151 PolarHBondContact N-O 3.28Å; H1146-T1151 PolarHBondContact O-N 2.94Å; N1149-T1151 HydrophobicContact CB-CG2 4.19Å; N1149-T1151 PolarHBondContact O-N 2.71Å; N1149-T1151 VanDerWaalsContact O-N 3.14Å
1152	Y	92.4	Very high	90.1	Very high	65 Å²	65	95.8 Å²	95.8	26%	0.255	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.7	178	-53.1	-73.3	0	0	0	107.6	Y1134 I1144 A1145 T1160 I1163	Y1134-Y1152 AromaticContact CD1-CD1 3.69Å; Y1134-Y1152 HydrophobicContact CD1-CD1 3.69Å; Y1134-Y1152 AromaticContact CD1-CE1 3.54Å; Y1134-Y1152 HydrophobicContact CD1-CE1 3.54Å; Y1134-Y1152 HydrophobicContact CD2-CE1 4.29Å; Y1134-Y1152 AromaticContact CE1-CD1 3.81Å; Y1134-Y1152 HydrophobicContact CE1-CD1 3.81Å; Y1134-Y1152 AromaticContact CE1-CE1 3.14Å; Y1134-Y1152 HydrophobicContact CE1-CE1 3.14Å; Y1134-Y1152 AromaticContact CE1-CZ 3.56Å; Y1134-Y1152 AromaticContact CE2-CE1 3.97Å; Y1134-Y1152 HydrophobicContact CE2-CE1 3.97Å; Y1134-Y1152 HydrophobicContact CG-CD1 4.08Å; Y1134-Y1152 HydrophobicContact CG-CE1 4.08Å; Y1134-Y1152 AromaticContact CZ-CE1 3.38Å; Y1134-Y1152 AromaticContact CZ-CZ 3.89Å; Y1134-Y1152 PolarHBondContact OH-OH 2.84Å; I1144-Y1152 WeakPolarHBondContact O-CA 3.45Å; A1145-Y1152 HydrophobicContact CB-CD1 3.6Å; A1145-Y1152 HydrophobicContact CB-CE1 3.85Å; Y1152-T1160 VanDerWaalsContact O-CA 3.31Å; Y1152-T1160 WeakPolarHBondContact O-CA 3.29Å; Y1152-I1163 VanDerWaalsContact CB-CD1 3.45Å
1153	E	92.6	Very high	89.9	Confident	86 Å²	86	94.1 Å²	94.1	40%	0.402	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	130.6	-176.3	-173.5	-167.1	147.1	0	0	110.2	I1144 R1155 T1160	I1144-E1153 PolarHBondContact N-O 2.72Å; I1144-E1153 PolarHBondContact O-N 3.26Å; E1153-R1155 WeakPolarHBondContact OE1-CG 3.36Å; E1153-T1160 HydrophobicContact CG-CG2 4.3Å
1154	C	92.1	Very high	89.9	Confident	6 Å²	6	95.3 Å²	95.3	4%	0.041	47%	0.471	C	S	.	.	B	Isolated β-bridge	trans	-102.2	106.5	163.6	-177.7	0	0	0	0	109.4	C1136 A1143 S1156 C1157 K1158 N1159	C1136-C1154 HydrophobicContact CB-CB 3.64Å; C1136-C1154 VanDerWaalsContact SG-CB 3.5Å; C1136-C1154 VanDerWaalsContact SG-SG 3.69Å; A1143-C1154 HydrophobicContact CB-CB 4.37Å; C1154-S1156 VanDerWaalsContact C-N 3.3Å; C1154-S1156 PolarHBondContact O-N 2.63Å; C1154-C1157 HydrophobicContact CB-CB 4.42Å; C1154-C1157 PolarHBondContact O-N 2.88Å; C1154-K1158 WeakPolarHBondContact O-CA 3.23Å; C1154-K1158 PolarHBondContact O-N 2.91Å; C1154-N1159 HydrophobicContact CB-CB 4.47Å; C1154-N1159 PolarHBondContact N-O 3.11Å; C1154-N1159 PolarHBondContact O-N 2.95Å
1155	R	91.9	Very high	89.9	Confident	184 Å²	184	96.1 Å²	96.1	69%	0.694	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-39.6	179.7	-72.3	-176.2	176.7	-179.1	1.3	113.1	I1144 E1153 C1157	I1144-R1155 HydrophobicContact CD1-CG 4Å; E1153-R1155 WeakPolarHBondContact OE1-CG 3.36Å; R1155-C1157 PolarHBondContact O-N 3.41Å
1156	S	86.7	Confident	90.1	Very high	101 Å²	101	96.1 Å²	96.1	71%	0.706	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-34.5	-177.5	-50	0	0	0	0	113.2	C1154	C1154-S1156 VanDerWaalsContact C-N 3.3Å; C1154-S1156 PolarHBondContact O-N 2.63Å
1157	C	89.4	Confident	90.3	Very high	46 Å²	46	96.8 Å²	96.8	31%	0.311	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-4.5	-179.3	-66.3	0	0	0	0	113.7	L1138 C1139 C1154 R1155 N1159	L1138-C1157 HydrophobicContact CB-CB 4.31Å; L1138-C1157 HydrophobicContact CD1-CB 4.05Å; C1139-C1157 WeakPolarHBondContact CB-SG 3.48Å; C1154-C1157 HydrophobicContact CB-CB 4.42Å; C1154-C1157 PolarHBondContact O-N 2.88Å; R1155-C1157 PolarHBondContact O-N 3.41Å; C1157-N1159 HydrophobicContact CB-CB 3.95Å; C1157-N1159 PolarHBondContact O-N 3.42Å; C1157-N1159 VanDerWaalsContact O-N 3.15Å
1158	K	90.1	Very high	90.8	Very high	187 Å²	187	91.7 Å²	91.7	81%	0.813	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	34.6	-167.9	-59.7	-177.8	179	179.7	0	112.8	C1154	C1154-K1158 WeakPolarHBondContact O-CA 3.23Å; C1154-K1158 PolarHBondContact O-N 2.91Å
1159	N	88.8	Confident	91.2	Very high	13 Å²	13	81.8 Å²	81.8	7%	0.07	42%	0.418	C	S	.	.	B	Isolated β-bridge	trans	-101.6	124.9	-175.7	175.4	18.4	0	0	0	109.5	C1136 L1138 C1154 C1157 T1161 Q1162	C1136-N1159 PolarHBondContact SG-ND2 2.85Å; L1138-N1159 HydrophobicContact CD1-CB 3.92Å; C1154-N1159 HydrophobicContact CB-CB 4.47Å; C1154-N1159 PolarHBondContact N-O 3.11Å; C1154-N1159 PolarHBondContact O-N 2.95Å; C1157-N1159 HydrophobicContact CB-CB 3.95Å; C1157-N1159 PolarHBondContact O-N 3.42Å; C1157-N1159 VanDerWaalsContact O-N 3.15Å; N1159-T1161 PolarHBondContact OD1-N 3.04Å; N1159-T1161 VanDerWaalsContact OD1-N 3.13Å; N1159-Q1162 WeakPolarHBondContact ND2-CB 3.35Å; N1159-Q1162 PolarHBondContact ND2-O 3.15Å; N1159-Q1162 PolarHBondContact OD1-N 3.42Å
1160	T	89.6	Confident	91.5	Very high	92 Å²	92	77.1 Å²	77.1	56%	0.564	39%	0.391	S	S	*	.	S	Bend	trans	-114	-11.8	-178.7	52.1	0	0	0	0	113.4	Y1152 E1153	Y1152-T1160 VanDerWaalsContact O-CA 3.31Å; Y1152-T1160 WeakPolarHBondContact O-CA 3.29Å; E1153-T1160 HydrophobicContact CG-CG2 4.3Å
1161	T	88.7	Confident	91.9	Very high	117 Å²	117	70.6 Å²	70.6	72%	0.718	37%	0.369	S	S	*	.	S	Bend	trans	-110.1	-46.1	-171.8	53.6	0	0	0	0	112.5	N1159 I1163	N1159-T1161 PolarHBondContact OD1-N 3.04Å; N1159-T1161 VanDerWaalsContact OD1-N 3.13Å; T1161-I1163 VanDerWaalsContact C-N 3.34Å; T1161-I1163 PolarHBondContact O-N 3.1Å
1162	Q	89.6	Confident	92.2	Very high	100 Å²	100	69 Å²	69	47%	0.467	36%	0.36	S	S	.	.			trans	-90.1	69.4	-174.7	-51.9	176.4	-8.3	0	0	111.3	N1137 N1159	N1137-Q1162 HydrophobicContact CB-CB 4.06Å; N1137-Q1162 WeakPolarHBondContact CB-O 3.25Å; N1137-Q1162 PolarHBondContact N-O 2.82Å; N1159-Q1162 WeakPolarHBondContact ND2-CB 3.35Å; N1159-Q1162 PolarHBondContact ND2-O 3.15Å; N1159-Q1162 PolarHBondContact OD1-N 3.42Å
1163	I	90.7	Very high	92.4	Very high	26 Å²	26	67.2 Å²	67.2	13%	0.133	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.6	177.1	-64.7	171.3	0	0	0	108.4	Y1134 V1135 A1143 Y1152 T1161	Y1134-I1163 HydrophobicContact CD1-CG2 4.15Å; Y1134-I1163 HydrophobicContact CG-CG2 4.44Å; V1135-I1163 WeakPolarHBondContact O-CA 3.5Å; A1143-I1163 HydrophobicContact CB-CD1 4Å; A1143-I1163 HydrophobicContact CB-CG1 4.35Å; A1143-I1163 HydrophobicContact CB-CG2 4.11Å; Y1152-I1163 VanDerWaalsContact CB-CD1 3.45Å; T1161-I1163 VanDerWaalsContact C-N 3.34Å; T1161-I1163 PolarHBondContact O-N 3.1Å
1164	S	92.1	Very high	92.6	Very high	36 Å²	36	64.9 Å²	64.9	25%	0.252	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.4	-176.5	-71.3	0	0	0	0	111.3	Y1134 V1135 N1137	Y1134-S1164 WeakPolarHBondContact CA-O 3.46Å; V1135-S1164 PolarHBondContact N-O 3.4Å; V1135-S1164 PolarHBondContact O-N 2.84Å; N1137-S1164 PolarHBondContact ND2-OG 2.79Å; N1137-S1164 VanDerWaalsContact ND2-OG 3.07Å; N1137-S1164 VanDerWaalsContact OD1-CB 3.3Å; N1137-S1164 WeakPolarHBondContact OD1-CB 3.23Å; N1137-S1164 PolarHBondContact OD1-OG 3.35Å; N1137-S1164 VanDerWaalsContact OD1-OG 3.07Å
1165	L	92.7	Very high	92.8	Very high	80 Å²	80	69.1 Å²	69.1	42%	0.419	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.7	177.4	-179	64.3	0	0	0	110	Q1132 Y1134	Q1132-L1165 HydrophobicContact CB-CD1 3.9Å; Y1134-L1165 HydrophobicContact CD1-CB 4.38Å; Y1134-L1165 HydrophobicContact CD1-CD1 4.15Å; Y1134-L1165 HydrophobicContact CD2-CD1 4.12Å; Y1134-L1165 HydrophobicContact CE1-CB 4.21Å; Y1134-L1165 HydrophobicContact CE1-CD1 3.88Å; Y1134-L1165 HydrophobicContact CE2-CD1 3.85Å; Y1134-L1165 HydrophobicContact CG-CD1 4.28Å
1166	V	93.5	Very high	93.1	Very high	35 Å²	35	62.1 Å²	62.1	21%	0.212	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.4	177.1	-175	0	0	0	0	109.5	Q1132 V1133 V1135 L1168 I1190	Q1132-V1166 WeakPolarHBondContact CA-O 3.3Å; V1133-V1166 HydrophobicContact CG2-CB 4.32Å; V1133-V1166 PolarHBondContact N-O 3.44Å; V1133-V1166 PolarHBondContact O-N 3.39Å; V1135-V1166 HydrophobicContact CB-CG2 4.25Å; V1135-V1166 HydrophobicContact CG2-CB 4.22Å; V1135-V1166 HydrophobicContact CG2-CG2 3.79Å; V1166-L1168 HydrophobicContact CB-CD2 4.48Å; V1166-L1168 HydrophobicContact CG1-CD2 4Å; V1166-I1190 HydrophobicContact CG2-CD1 3.61Å; V1166-I1190 HydrophobicContact CG2-CG1 4.14Å
1167	K	95	Very high	93.5	Very high	125 Å²	125	61.3 Å²	61.3	54%	0.543	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120	172.3	-66.2	-170.1	-178.9	175.2	0	108.6	F1125 Y1131 Q1132	F1125-K1167 HydrophobicContact CE1-CB 4.07Å; F1125-K1167 HydrophobicContact CZ-CB 3.82Å; Y1131-K1167 WeakPolarHBondContact O-CA 3.46Å; Q1132-K1167 HydrophobicContact CG-CG 4.22Å
1168	L	94.3	Very high	93.9	Very high	14 Å²	14	63.9 Å²	63.9	7%	0.073	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	153	-179.8	60.7	90.5	0	0	0	111	F1125 Y1131 V1133 V1166 C1172 K1173 F1176 M1188	F1125-L1168 WeakPolarHBondContact CE2-O 3.5Å; Y1131-L1168 CarbonylContact C-O 3.56Å; Y1131-L1168 WeakPolarHBondContact CB-O 3.49Å; Y1131-L1168 PolarHBondContact N-O 3.08Å; Y1131-L1168 PolarHBondContact O-N 3.12Å; V1133-L1168 HydrophobicContact CG2-CD1 4.49Å; V1133-L1168 HydrophobicContact CG2-CD2 3.4Å; V1133-L1168 VanDerWaalsContact CG2-CD2 3.4Å; V1133-L1168 HydrophobicContact CG2-CG 3.93Å; V1166-L1168 HydrophobicContact CB-CD2 4.48Å; V1166-L1168 HydrophobicContact CG1-CD2 4Å; L1168-C1172 HydrophobicContact CD1-CB 4.16Å; L1168-K1173 HydrophobicContact CD1-CB 3.62Å; L1168-F1176 HydrophobicContact CD2-CE2 4.44Å; L1168-M1188 HydrophobicContact CD2-SD 3.77Å
1169	P	96.5	Very high	94.3	Very high	39 Å²	39	57 Å²	57	25%	0.253	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	140.5	179.1	-21.2	30.4	0	0	0	111.3	F1125 D1129 A1171 C1172 K1173	F1125-P1169 HydrophobicContact CD2-CB 4.15Å; F1125-P1169 HydrophobicContact CD2-CG 3.73Å; F1125-P1169 HydrophobicContact CE2-CG 4.43Å; F1125-P1169 HydrophobicContact CG-CG 4.46Å; D1129-P1169 WeakPolarHBondContact O-CA 3.33Å; D1129-P1169 VanDerWaalsContact OD2-CB 3.28Å; D1129-P1169 WeakPolarHBondContact OD2-CB 3.34Å; P1169-A1171 PolarHBondContact O-N 3.08Å; P1169-C1172 HydrophobicContact CB-CB 4.21Å; P1169-C1172 HydrophobicContact CG-CB 4.37Å; P1169-C1172 WeakPolarHBondContact O-CA 3.42Å; P1169-C1172 WeakPolarHBondContact O-CB 3.39Å; P1169-C1172 PolarHBondContact O-N 3.34Å; P1169-K1173 PolarHBondContact O-N 2.97Å
1170	Y	97.2	Very high	94.6	Very high	25 Å²	25	60.1 Å²	60.1	10%	0.098	32%	0.32	C	S	.	.	H	α-helix	trans	-57.5	-35.6	175.5	-171.2	-89.6	0	0	0	111.7	L1087 N1088 R1089 D1129 Y1131 C1172 K1173 L1174	L1087-Y1170 WeakPolarHBondContact O-CE1 3.38Å; N1088-Y1170 VanDerWaalsContact O-CD1 3.26Å; N1088-Y1170 WeakPolarHBondContact O-CD1 3.34Å; R1089-Y1170 HydrophobicContact CB-CD1 4.04Å; R1089-Y1170 HydrophobicContact CB-CG 4.16Å; R1089-Y1170 HydrophobicContact CG-CD1 3.89Å; R1089-Y1170 HydrophobicContact CG-CD2 4.41Å; R1089-Y1170 HydrophobicContact CG-CE1 3.91Å; R1089-Y1170 HydrophobicContact CG-CE2 4.43Å; R1089-Y1170 HydrophobicContact CG-CG 4.14Å; D1129-Y1170 PolarHBondContact O-N 2.99Å; D1129-Y1170 PolarHBondContact OD2-N 3.37Å; Y1131-Y1170 AromaticContact CD1-CD2 3.79Å; Y1131-Y1170 HydrophobicContact CD1-CD2 3.79Å; Y1131-Y1170 HydrophobicContact CD1-CE2 4.47Å; Y1131-Y1170 AromaticContact CD2-CD2 3.74Å; Y1131-Y1170 HydrophobicContact CD2-CD2 3.74Å; Y1131-Y1170 HydrophobicContact CD2-CE2 4.47Å; Y1131-Y1170 AromaticContact CE1-CD2 3.94Å; Y1131-Y1170 HydrophobicContact CE1-CD2 3.94Å; Y1131-Y1170 HydrophobicContact CE1-CE2 4.17Å; Y1131-Y1170 AromaticContact CE2-CD2 3.9Å; Y1131-Y1170 HydrophobicContact CE2-CD2 3.9Å; Y1131-Y1170 HydrophobicContact CE2-CE2 4.18Å; Y1131-Y1170 AromaticContact CG-CD2 3.69Å; Y1131-Y1170 HydrophobicContact CG-CD2 3.69Å; Y1131-Y1170 HydrophobicContact CG-CG 4.49Å; Y1131-Y1170 AromaticContact CZ-CD2 4Å; Y1170-C1172 VanDerWaalsContact C-N 3.25Å; Y1170-C1172 PolarHBondContact O-N 3.05Å; Y1170-K1173 HydrophobicContact CD2-CD 4.29Å; Y1170-K1173 HydrophobicContact CE2-CD 3.97Å; Y1170-K1173 WeakPolarHBondContact O-CB 3.05Å; Y1170-K1173 PolarHBondContact O-N 2.77Å; Y1170-K1173 VanDerWaalsContact O-N 3.15Å; Y1170-L1174 PolarHBondContact O-N 3.19Å
1171	A	96.6	Very high	95	Very high	34 Å²	34	59.6 Å²	59.6	28%	0.281	32%	0.32	S	S	.	.	H	α-helix	trans	-59	-36.1	173.4	0	0	0	0	0	112.5	D1129 P1169 L1174 L1175	D1129-A1171 PolarHBondContact OD2-N 3.12Å; P1169-A1171 PolarHBondContact O-N 3.08Å; A1171-L1174 PolarHBondContact O-N 2.95Å; A1171-L1175 PolarHBondContact O-N 3.26Å
1172	C	96.3	Very high	95.4	Very high	39 Å²	39	59.7 Å²	59.7	26%	0.264	31%	0.313	S	S	.	.	H	α-helix	trans	-71.8	-39	175	-179.6	0	0	0	0	111.8	L1168 P1169 Y1170 L1174 L1175 F1176	L1168-C1172 HydrophobicContact CD1-CB 4.16Å; P1169-C1172 HydrophobicContact CB-CB 4.21Å; P1169-C1172 HydrophobicContact CG-CB 4.37Å; P1169-C1172 WeakPolarHBondContact O-CA 3.42Å; P1169-C1172 WeakPolarHBondContact O-CB 3.39Å; P1169-C1172 PolarHBondContact O-N 3.34Å; Y1170-C1172 VanDerWaalsContact C-N 3.25Å; Y1170-C1172 PolarHBondContact O-N 3.05Å; C1172-L1174 VanDerWaalsContact C-N 3.3Å; C1172-L1174 PolarHBondContact O-N 2.98Å; C1172-L1175 WeakPolarHBondContact O-CB 3.19Å; C1172-L1175 PolarHBondContact O-N 2.9Å; C1172-F1176 PolarHBondContact O-N 2.99Å
1173	K	96.1	Very high	95.7	Very high	26 Å²	26	60.3 Å²	60.3	11%	0.113	33%	0.329	C	S	.	.	H	α-helix	trans	-57.8	-44.2	170.9	179	-99.4	-172.8	-173.6	0	111.1	Y1131 V1133 I1142 L1168 P1169 Y1170 F1176 Q1177	Y1131-K1173 HydrophobicContact CD1-CB 4.42Å; Y1131-K1173 HydrophobicContact CD1-CG 4.37Å; Y1131-K1173 HydrophobicContact CE1-CD 4.33Å; Y1131-K1173 HydrophobicContact CE1-CG 4.26Å; V1133-K1173 HydrophobicContact CG1-CG 3.99Å; I1142-K1173 HydrophobicContact CD1-CG 4.18Å; L1168-K1173 HydrophobicContact CD1-CB 3.62Å; P1169-K1173 PolarHBondContact O-N 2.97Å; Y1170-K1173 HydrophobicContact CD2-CD 4.29Å; Y1170-K1173 HydrophobicContact CE2-CD 3.97Å; Y1170-K1173 WeakPolarHBondContact O-CB 3.05Å; Y1170-K1173 PolarHBondContact O-N 2.77Å; Y1170-K1173 VanDerWaalsContact O-N 3.15Å; K1173-F1176 PolarHBondContact O-N 2.93Å; K1173-Q1177 VanDerWaalsContact CE-OE1 3.28Å; K1173-Q1177 VanDerWaalsContact NZ-CD 3.33Å; K1173-Q1177 WeakPolarHBondContact O-CG 3.37Å; K1173-Q1177 PolarHBondContact O-N 2.76Å; K1173-Q1177 VanDerWaalsContact O-N 3.11Å
1174	L	97	Very high	96	Very high	38 Å²	38	63.5 Å²	63.5	20%	0.199	35%	0.345	C	S	.	.	H	α-helix	trans	-63.2	-45.5	177.1	-175.8	64.3	0	0	0	111	Y1170 A1171 C1172 F1176 Q1177 E1178	Y1170-L1174 PolarHBondContact O-N 3.19Å; A1171-L1174 PolarHBondContact O-N 2.95Å; C1172-L1174 VanDerWaalsContact C-N 3.3Å; C1172-L1174 PolarHBondContact O-N 2.98Å; L1174-F1176 VanDerWaalsContact C-N 3.3Å; L1174-F1176 PolarHBondContact O-N 3.16Å; L1174-Q1177 WeakPolarHBondContact O-CB 3.45Å; L1174-Q1177 PolarHBondContact O-N 3Å; L1174-E1178 WeakPolarHBondContact O-CG 3.27Å; L1174-E1178 PolarHBondContact O-N 2.86Å
1175	L	97.1	Very high	96	Very high	95 Å²	95	64.1 Å²	64.1	50%	0.497	35%	0.353	S	S	.	.	H	α-helix	trans	-54.9	-44.3	174.5	176.2	64.5	0	0	0	112.2	A1171 C1172 Q1177 E1178 L1179	A1171-L1175 PolarHBondContact O-N 3.26Å; C1172-L1175 WeakPolarHBondContact O-CB 3.19Å; C1172-L1175 PolarHBondContact O-N 2.9Å; L1175-Q1177 VanDerWaalsContact C-N 3.33Å; L1175-Q1177 PolarHBondContact O-N 3.32Å; L1175-E1178 PolarHBondContact O-N 2.91Å; L1175-L1179 HydrophobicContact CD1-CD1 4.45Å; L1175-L1179 HydrophobicContact CD1-CG 4.37Å; L1175-L1179 HydrophobicContact CG-CD1 4.26Å; L1175-L1179 WeakPolarHBondContact O-CG 3.3Å; L1175-L1179 PolarHBondContact O-N 3.09Å
1176	F	96.6	Very high	96.1	Very high	37 Å²	37	61.6 Å²	61.6	16%	0.162	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-37.3	176.4	-66.9	-26	0	0	0	112.7	L1168 C1172 K1173 L1174 L1179 M1180 P1186 M1188	L1168-F1176 HydrophobicContact CD2-CE2 4.44Å; C1172-F1176 PolarHBondContact O-N 2.99Å; K1173-F1176 PolarHBondContact O-N 2.93Å; L1174-F1176 VanDerWaalsContact C-N 3.3Å; L1174-F1176 PolarHBondContact O-N 3.16Å; F1176-L1179 HydrophobicContact CD1-CD1 4.36Å; F1176-L1179 PolarHBondContact O-N 2.6Å; F1176-M1180 WeakPolarHBondContact O-CB 3.37Å; F1176-M1180 WeakPolarHBondContact O-CG 3.49Å; F1176-M1180 PolarHBondContact O-N 2.66Å; F1176-P1186 HydrophobicContact CB-CG 3.91Å; F1176-P1186 HydrophobicContact CD1-CB 3.71Å; F1176-P1186 HydrophobicContact CD1-CG 3.59Å; F1176-P1186 HydrophobicContact CE1-CB 4Å; F1176-P1186 HydrophobicContact CE1-CG 4.38Å; F1176-P1186 HydrophobicContact CG-CB 4.42Å; F1176-P1186 HydrophobicContact CG-CG 3.94Å; F1176-M1188 HydrophobicContact CD2-CE 3.99Å; F1176-M1188 HydrophobicContact CD2-SD 3.94Å; F1176-M1188 HydrophobicContact CE2-CE 4.05Å; F1176-M1188 HydrophobicContact CE2-CG 3.85Å; F1176-M1188 HydrophobicContact CE2-SD 3.37Å; F1176-M1188 WeakPolarHBondContact CE2-SD 3.42Å; F1176-M1188 HydrophobicContact CZ-CG 4.2Å; F1176-M1188 HydrophobicContact CZ-SD 4.25Å
1177	Q	96.4	Very high	96.1	Very high	84 Å²	84	67 Å²	67	39%	0.393	36%	0.358	S	S	.	.	H	α-helix	trans	-66.2	-38.4	174.3	-68.6	-175.5	-51.4	0	0	112.4	K1173 L1174 L1175 M1180 S1181	K1173-Q1177 VanDerWaalsContact CE-OE1 3.28Å; K1173-Q1177 VanDerWaalsContact NZ-CD 3.33Å; K1173-Q1177 WeakPolarHBondContact O-CG 3.37Å; K1173-Q1177 PolarHBondContact O-N 2.76Å; K1173-Q1177 VanDerWaalsContact O-N 3.11Å; L1174-Q1177 WeakPolarHBondContact O-CB 3.45Å; L1174-Q1177 PolarHBondContact O-N 3Å; L1175-Q1177 VanDerWaalsContact C-N 3.33Å; L1175-Q1177 PolarHBondContact O-N 3.32Å; Q1177-M1180 PolarHBondContact O-N 2.71Å; Q1177-S1181 PolarHBondContact O-N 2.88Å
1178	E	97.4	Very high	95.9	Very high	100 Å²	100	62.6 Å²	62.6	47%	0.467	34%	0.34	S	S	.	.	H	α-helix	trans	-69	-36.3	175	-66	-64.8	177.1	0	0	112.5	L1174 L1175 S1181 M1182	L1174-E1178 WeakPolarHBondContact O-CG 3.27Å; L1174-E1178 PolarHBondContact O-N 2.86Å; L1175-E1178 PolarHBondContact O-N 2.91Å; E1178-S1181 PolarHBondContact O-N 2.95Å; E1178-S1181 PolarHBondContact O-OG 2.94Å; E1178-S1181 PolarHBondContact OE2-OG 2.68Å; E1178-M1182 PolarHBondContact O-N 3.02Å
1179	L	97.7	Very high	95.6	Very high	43 Å²	43	66.7 Å²	66.7	23%	0.225	36%	0.36	C	S	.	.	H	α-helix	trans	-64.7	-42.9	171.2	-70.5	172.9	0	0	0	110.8	L1175 F1176 S1181 M1182 S1183 I1184 P1186	L1175-L1179 HydrophobicContact CD1-CD1 4.45Å; L1175-L1179 HydrophobicContact CD1-CG 4.37Å; L1175-L1179 HydrophobicContact CG-CD1 4.26Å; L1175-L1179 WeakPolarHBondContact O-CG 3.3Å; L1175-L1179 PolarHBondContact O-N 3.09Å; F1176-L1179 HydrophobicContact CD1-CD1 4.36Å; F1176-L1179 PolarHBondContact O-N 2.6Å; L1179-S1181 VanDerWaalsContact C-N 3.33Å; L1179-S1181 PolarHBondContact O-N 3.49Å; L1179-M1182 HydrophobicContact CD2-CE 3.81Å; L1179-M1182 CarbonylContact O-C 3.59Å; L1179-M1182 WeakPolarHBondContact O-CA 3.45Å; L1179-M1182 PolarHBondContact O-N 2.88Å; L1179-M1182 VanDerWaalsContact O-N 3.14Å; L1179-S1183 PolarHBondContact O-N 2.97Å; L1179-I1184 CarbonylContact C-O 3.55Å; L1179-I1184 HydrophobicContact CB-CB 4.28Å; L1179-I1184 HydrophobicContact CB-CG2 4.46Å; L1179-I1184 HydrophobicContact CD2-CD1 4.26Å; L1179-I1184 WeakPolarHBondContact O-CA 3.49Å; L1179-I1184 WeakPolarHBondContact O-CB 3.33Å; L1179-I1184 PolarHBondContact O-N 3.28Å; L1179-P1186 HydrophobicContact CB-CG 4.12Å; L1179-P1186 HydrophobicContact CD1-CB 4.27Å; L1179-P1186 HydrophobicContact CD1-CG 4.2Å
1180	M	95.7	Very high	94.8	Very high	78 Å²	78	68.7 Å²	68.7	38%	0.384	37%	0.367	S	S	.	.	H	α-helix	trans	-64.7	-34.2	176.5	-70.4	174.5	79.9	0	0	112.5	L1141 F1176 Q1177 M1182 S1183 I1184 P1186	L1141-M1180 HydrophobicContact CD1-CE 4.28Å; L1141-M1180 HydrophobicContact CD2-CE 4.01Å; L1141-M1180 HydrophobicContact CD2-SD 4.34Å; F1176-M1180 WeakPolarHBondContact O-CB 3.37Å; F1176-M1180 WeakPolarHBondContact O-CG 3.49Å; F1176-M1180 PolarHBondContact O-N 2.66Å; Q1177-M1180 PolarHBondContact O-N 2.71Å; M1180-M1182 VanDerWaalsContact C-N 3.26Å; M1180-M1182 PolarHBondContact O-N 2.88Å; M1180-S1183 WeakPolarHBondContact O-CA 3.22Å; M1180-S1183 PolarHBondContact O-N 3.4Å; M1180-I1184 VanDerWaalsContact CA-O 3.27Å; M1180-I1184 WeakPolarHBondContact CA-O 3.35Å; M1180-I1184 PolarHBondContact N-O 3.39Å; M1180-P1186 HydrophobicContact CG-CG 4.48Å
1181	S	97.3	Very high	93.7	Very high	80 Å²	80	73.7 Å²	73.7	56%	0.559	40%	0.396	S	S	*	.	H	α-helix	trans	-66	-30.9	174.4	75.4	0	0	0	0	111.8	Q1177 E1178 L1179 S1183	Q1177-S1181 PolarHBondContact O-N 2.88Å; E1178-S1181 PolarHBondContact O-N 2.95Å; E1178-S1181 PolarHBondContact O-OG 2.94Å; E1178-S1181 PolarHBondContact OE2-OG 2.68Å; L1179-S1181 VanDerWaalsContact C-N 3.33Å; L1179-S1181 PolarHBondContact O-N 3.49Å; S1181-S1183 PolarHBondContact O-N 2.86Å
1182	M	97.3	Very high	91.6	Very high	119 Å²	119	75.6 Å²	75.6	59%	0.586	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	11.2	169.5	-64.3	-173.2	-71	0	0	113.9	E1178 L1179 M1180 I1184	E1178-M1182 PolarHBondContact O-N 3.02Å; L1179-M1182 HydrophobicContact CD2-CE 3.81Å; L1179-M1182 CarbonylContact O-C 3.59Å; L1179-M1182 WeakPolarHBondContact O-CA 3.45Å; L1179-M1182 PolarHBondContact O-N 2.88Å; L1179-M1182 VanDerWaalsContact O-N 3.14Å; M1180-M1182 VanDerWaalsContact C-N 3.26Å; M1180-M1182 PolarHBondContact O-N 2.88Å; M1182-I1184 PolarHBondContact O-N 3.2Å
1183	S	95.9	Very high	89.6	Confident	114 Å²	114	78.3 Å²	78.3	80%	0.797	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	16.3	-176.4	-53.6	0	0	0	0	115.1	L1179 M1180 S1181	L1179-S1183 PolarHBondContact O-N 2.97Å; M1180-S1183 WeakPolarHBondContact O-CA 3.22Å; M1180-S1183 PolarHBondContact O-N 3.4Å; S1181-S1183 PolarHBondContact O-N 2.86Å
1184	I	96.9	Very high	87.4	Confident	92 Å²	92	81.1 Å²	81.1	47%	0.472	45%	0.452	S	S	.	.			trans	-90.1	121.6	170.1	-59.7	172.8	0	0	0	107.1	L1179 M1180 M1182 P1186	L1179-I1184 CarbonylContact C-O 3.55Å; L1179-I1184 HydrophobicContact CB-CB 4.28Å; L1179-I1184 HydrophobicContact CB-CG2 4.46Å; L1179-I1184 HydrophobicContact CD2-CD1 4.26Å; L1179-I1184 WeakPolarHBondContact O-CA 3.49Å; L1179-I1184 WeakPolarHBondContact O-CB 3.33Å; L1179-I1184 PolarHBondContact O-N 3.28Å; M1180-I1184 VanDerWaalsContact CA-O 3.27Å; M1180-I1184 WeakPolarHBondContact CA-O 3.35Å; M1180-I1184 PolarHBondContact N-O 3.39Å; M1182-I1184 PolarHBondContact O-N 3.2Å; I1184-P1186 WeakPolarHBondContact O-CD 3.48Å
1185	A	93.6	Very high	84.8	Confident	50 Å²	50	83.2 Å²	83.2	41%	0.413	48%	0.475	S	S	.	.			trans	-97.8	91.5	-179.3	0	0	0	0	0	111.3	L1141 R1187	L1141-A1185 HydrophobicContact CD2-CB 4.37Å; A1185-R1187 PolarHBondContact O-N 3.15Å; A1185-R1187 VanDerWaalsContact O-N 3.13Å
1186	P	94	Very high	81.9	Confident	26 Å²	26	92.4 Å²	92.4	17%	0.169	51%	0.505	C	S	.	.			trans	-72	104.9	175.3	30.4	-35.6	0	0	0	109.9	F1176 L1179 M1180 I1184	F1176-P1186 HydrophobicContact CB-CG 3.91Å; F1176-P1186 HydrophobicContact CD1-CB 3.71Å; F1176-P1186 HydrophobicContact CD1-CG 3.59Å; F1176-P1186 HydrophobicContact CE1-CB 4Å; F1176-P1186 HydrophobicContact CE1-CG 4.38Å; F1176-P1186 HydrophobicContact CG-CB 4.42Å; F1176-P1186 HydrophobicContact CG-CG 3.94Å; L1179-P1186 HydrophobicContact CB-CG 4.12Å; L1179-P1186 HydrophobicContact CD1-CB 4.27Å; L1179-P1186 HydrophobicContact CD1-CG 4.2Å; M1180-P1186 HydrophobicContact CG-CG 4.48Å; I1184-P1186 WeakPolarHBondContact O-CD 3.48Å
1187	R	92.4	Very high	81.1	Confident	149 Å²	149	95.2 Å²	95.2	56%	0.562	52%	0.522	S	S	*	.			trans	-90.8	115.5	-177.4	-57.8	-176.9	-177.4	-94.7	5.5	110.8	C1139 A1185 M1189	C1139-R1187 WeakPolarHBondContact O-CB 3.18Å; C1139-R1187 VanDerWaalsContact O-CD 3.3Å; C1139-R1187 WeakPolarHBondContact O-CD 3.46Å; C1139-R1187 WeakPolarHBondContact O-CG 3.49Å; C1139-R1187 PolarHBondContact O-NH1 2.85Å; A1185-R1187 PolarHBondContact O-N 3.15Å; A1185-R1187 VanDerWaalsContact O-N 3.13Å; R1187-M1189 PolarHBondContact O-N 3.24Å
1188	M	91.1	Very high	80.3	Confident	33 Å²	33	95.8 Å²	95.8	16%	0.163	53%	0.529	C	S	.	.			trans	-86.4	103.7	173.4	-65.7	173.7	-79	0	0	110	V1135 G1140 I1142 L1168 F1176	V1135-M1188 HydrophobicContact CG1-CB 4.12Å; V1135-M1188 HydrophobicContact CG1-CE 4.21Å; V1135-M1188 HydrophobicContact CG2-CE 3.51Å; V1135-M1188 HydrophobicContact CG2-SD 4.16Å; G1140-M1188 WeakPolarHBondContact CA-O 3.45Å; G1140-M1188 PolarHBondContact O-N 2.99Å; I1142-M1188 HydrophobicContact CG1-CE 4Å; L1168-M1188 HydrophobicContact CD2-SD 3.77Å; F1176-M1188 HydrophobicContact CD2-CE 3.99Å; F1176-M1188 HydrophobicContact CD2-SD 3.94Å; F1176-M1188 HydrophobicContact CE2-CE 4.05Å; F1176-M1188 HydrophobicContact CE2-CG 3.85Å; F1176-M1188 HydrophobicContact CE2-SD 3.37Å; F1176-M1188 WeakPolarHBondContact CE2-SD 3.42Å; F1176-M1188 HydrophobicContact CZ-CG 4.2Å; F1176-M1188 HydrophobicContact CZ-SD 4.25Å
1189	M	88.3	Confident	79.4	Confident	100 Å²	100	95.6 Å²	95.6	49%	0.493	53%	0.532	S	S	.	.			trans	-94.5	127.1	175.9	-58.2	-65.7	-85.7	0	0	109.3	R1187	R1187-M1189 PolarHBondContact O-N 3.24Å
1190	I	80.3	Confident	78.3	Confident	80 Å²	80	98.6 Å²	98.6	41%	0.41	55%	0.551	S	S	.	*	S	Bend	trans	-91	-28.7	-175.1	-65.4	165.8	0	0	0	111.6	V1166	V1166-I1190 HydrophobicContact CG2-CD1 3.61Å; V1166-I1190 HydrophobicContact CG2-CG1 4.14Å
1191	N	73.4	Confident	77.2	Confident	131 Å²	131	99.9 Å²	99.9	70%	0.701	56%	0.561	S	S	*	*	S	Bend	trans	-103.3	135.9	171	-67.6	-10.6	0	0	0	108.8	P1193	N1191-P1193 WeakPolarHBondContact O-CD 3.33Å
1192	S	53.9	Low	75.9	Confident	73 Å²	73	101.3 Å²	101.3	51%	0.51	56%	0.561	S	S	.	*			trans	-58.8	123.9	175.2	-176.7	0	0	0	0	109.4	A1194	S1192-A1194 PolarHBondContact O-N 2.78Å; S1192-A1194 WeakPolarHBondContact OG-CA 3.46Å; S1192-A1194 WeakPolarHBondContact OG-CB 3.49Å; S1192-A1194 PolarHBondContact OG-N 2.84Å
1193	P	53.9	Low	74.3	Confident	97 Å²	97	100 Å²	100	63%	0.63	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-23.6	164.7	-4.7	16.6	0	0	0	111.1	N1191 A1195	N1191-P1193 WeakPolarHBondContact O-CD 3.33Å; P1193-A1195 VanDerWaalsContact C-N 3.31Å; P1193-A1195 PolarHBondContact O-N 3.33Å
1194	A	49.6	Very low	72.7	Confident	84 Å²	84	98.9 Å²	98.9	69%	0.694	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	16.2	-175.7	0	0	0	0	0	114.1	S1192	S1192-A1194 PolarHBondContact O-N 2.78Å; S1192-A1194 WeakPolarHBondContact OG-CA 3.46Å; S1192-A1194 WeakPolarHBondContact OG-CB 3.49Å; S1192-A1194 PolarHBondContact OG-N 2.84Å
1195	A	42.6	Very low	70.6	Confident	83 Å²	83	99.5 Å²	99.5	69%	0.686	55%	0.547	S	S	*	.			trans	-91.2	21.7	168.3	0	0	0	0	0	112.5	P1193	P1193-A1195 VanDerWaalsContact C-N 3.31Å; P1193-A1195 PolarHBondContact O-N 3.33Å
1196	Y	34.8	Very low	68.6	Low	288 Å²	288	104 Å²	104	100%	1.129	56%	0.559	S	S	*	*			trans	-108.4	0	166	-81.5	-77.7	0	0	0	110.8

Retrieved 1,196 of 1,196 residues in 338.4 ms (Link to these results)

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