A0A061IR03_CRIGR 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. RNA-dependent RNA polymerase that catalyzes the extension of a non-coding RNA (ncRNA) at the 3'-end using the four ribonucleoside triphosphates as substrates. An internal ncRNA sequence near the 3'-end serves as a template in a single-round Pol II-mediated RNA polymerization reaction. May decrease the stability of ncRNAs that repress Pol II-mediated gene transcription.

AlphaFold DB (A0A2I2ZIU3), UniProt , Accession A0A061IR03, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Polr2b, Length 1,174 aa.

						>A0A061IR03_CRIGR|A0A061IR03|Polr2b
MYDADEDMQYDEDDDEITPDLWQEACWIVISSYFDEKGLVRQQLDSFDEFIQMSVQRIVEDAPPIDLQAEAQHASGEVEEPPRYLLKFEQIYLSKPTHWERDGAPSPMMPNEARLRNLTYSAPLYVDITKTVIKEGEEQLQTQHQKTFIGKIPIMLRSTYCLLNGLTDRDLCELNECPLDPGGYFIINGSEKVLIAQEKMATNTVYVFAKKDSKYAYTGECRSCLENSSRPTSTIWVSMLARGGQGAKKSAIGQRIVATLPYIKQEVPIIIVFRALGFVSDRDILEHIIYDFEDPEMMEMVKPSLDEAFVIQEQNVALNFIGSRGAKPGVTKEKRIKYAKEVLQKEMLPHVGVSDFCETKKAYFLGYMVHRLLLAALGRRELDDRDHYGNKRLDLAGPLLAFLFRGMFKNLLKEVRIYAQKFIDRGKDFNLELAIKTRIISDGLKYSLATGNWGDQKKAHQARAGVSQVLNRLTFASTLSHLRRLNSPIGRDGKLAKPRQLHNTLWGMVCPAETPEGHAVGLVKNLALMAYISVGSQPSPILEFLEEWSMENLEEISPAAIADATKIFVNGCWVGIHKDPEQLMNTLRKLRRQMDIIVSEVSMIRDIREREIRIYTDAGRICRPLLIVEKQKLLLKKRHIDQLKEREYNNYSWQDLVASGVVEYIDTLEEETVMLAMTPDDLQEKEVAYCSTYTHCEIHPSMILGVCASIIPFPDHNQSPRNTYQSAMGKQAMGVYITNFHVRMDTLAHVLYYPQKPLVTTRSMEYLRFRELPAGINSIVAIASYTGYNQEDSVIMNRSAVDRGFFRSVFYRSYKEQESKKGFDQEEVFEKPTRETCQGMRHAIYDKLDDDGLIAPGVRVSGDDVIIGKTVTLPENEDELESTNRRYTKRDCSTFLRTSETGIVDQVMVTLNQEGYKFCKIRVRSVRIPQIGDKFASRHGQKGTCGIQYRQEDMPFTCEGITPDIIINPHAIPSRMTIGHLIECLQGKVSANKGEIGDATPFNDAVNVQKISNLLSDYGYHLRGNEVLYNGFTGRKITSQIFIGPTYYQRLKHMVDDKIHSRARGPIQILNRQPMEGRSRDGGLRFGEMERDCQIAHGAAQFLRERLFEASDPYQVHVCNLCGIMAIANTRTHTYECRGCRNKTQISLVRMPYACKLLFQELMSMSIAPRMMSV
					

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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	35.6	Very low	36.6	Very low	238 Å²	238	165.8 Å²	165.8	100%	1.172	82%	0.821	S	S	*	*				0	109.7	0	-92.5	167.4	162.3	0	0	105.2
2	Y	40.2	Very low	37.5	Very low	239 Å²	239	167.1 Å²	167.1	94%	0.937	82%	0.823	S	S	*	*			trans	-77.9	116.9	173.3	-77	-95.3	0	0	0	106.3
3	D	34.2	Very low	38.4	Very low	161 Å²	161	163.6 Å²	163.6	86%	0.861	81%	0.81	S	S	*	*			trans	-112.7	130.7	158.3	-87.8	-34.2	0	0	0	107.5
4	A	35.7	Very low	39.5	Very low	89 Å²	89	160.8 Å²	160.8	74%	0.736	80%	0.799	S	S	*	*			trans	-71	136.8	-165.2	0	0	0	0	0	111.5	E6	A4-E6 VanDerWaalsContact C-N 3.34Å; A4-E6 PolarHBondContact O-N 3.39Å
5	D	35.3	Very low	41.3	Very low	156 Å²	156	154.7 Å²	154.7	83%	0.834	77%	0.771	S	S	*	*			trans	-60.6	97.8	156.4	-66.2	-50	0	0	0	107.9	D7	D5-D7 VanDerWaalsContact C-N 3.29Å; D5-D7 PolarHBondContact O-N 2.82Å; D5-D7 VanDerWaalsContact O-N 3.13Å
6	E	35.8	Very low	43.2	Very low	177 Å²	177	149.6 Å²	149.6	83%	0.827	74%	0.744	S	S	*	*			trans	-73	91.8	158.7	-80.7	-174.6	164.9	0	0	107.4	A4 M8	A4-E6 VanDerWaalsContact C-N 3.34Å; A4-E6 PolarHBondContact O-N 3.39Å; E6-M8 PolarHBondContact O-N 3.34Å
7	D	37.2	Very low	45.1	Very low	152 Å²	152	142.3 Å²	142.3	81%	0.813	71%	0.708	S	S	*	*			trans	-58.1	87.8	159.6	-83	-34	0	0	0	108.7	D5 Q9	D5-D7 VanDerWaalsContact C-N 3.29Å; D5-D7 PolarHBondContact O-N 2.82Å; D5-D7 VanDerWaalsContact O-N 3.13Å; D7-Q9 VanDerWaalsContact C-N 3.28Å; D7-Q9 PolarHBondContact O-N 3.13Å
8	M	34.8	Very low	46.6	Very low	122 Å²	122	137.9 Å²	137.9	60%	0.601	69%	0.69	S	S	*	*			trans	-69.7	93	157.8	-78.3	-131.3	-88.9	0	0	107.8	E6 Y10	E6-M8 PolarHBondContact O-N 3.34Å; M8-Y10 HydrophobicContact CB-CD2 3.82Å; M8-Y10 HydrophobicContact CB-CE2 3.52Å; M8-Y10 HydrophobicContact CE-CE1 4.35Å; M8-Y10 HydrophobicContact CE-CE2 3.95Å; M8-Y10 VanDerWaalsContact CE-CZ 3.5Å; M8-Y10 WeakPolarHBondContact CE-OH 3.4Å; M8-Y10 HydrophobicContact CG-CE2 4.42Å; M8-Y10 VanDerWaalsContact O-CD2 3.26Å; M8-Y10 WeakPolarHBondContact O-CD2 3.46Å; M8-Y10 PolarHBondContact O-N 3.46Å; M8-Y10 HydrophobicContact SD-CE2 4.39Å
9	Q	35.5	Very low	47.8	Very low	190 Å²	190	133.4 Å²	133.4	89%	0.888	67%	0.671	S	S	*	*			trans	-58.2	90.1	157.3	-98.3	177.6	-14.8	0	0	108	D7	D7-Q9 VanDerWaalsContact C-N 3.28Å; D7-Q9 PolarHBondContact O-N 3.13Å
10	Y	40.3	Very low	48.8	Very low	172 Å²	172	134.1 Å²	134.1	68%	0.675	68%	0.677	S	S	*	*			trans	-75.6	126.2	163.1	-72.2	-83.2	0	0	0	107.6	M8 E12	M8-Y10 HydrophobicContact CB-CD2 3.82Å; M8-Y10 HydrophobicContact CB-CE2 3.52Å; M8-Y10 HydrophobicContact CE-CE1 4.35Å; M8-Y10 HydrophobicContact CE-CE2 3.95Å; M8-Y10 VanDerWaalsContact CE-CZ 3.5Å; M8-Y10 WeakPolarHBondContact CE-OH 3.4Å; M8-Y10 HydrophobicContact CG-CE2 4.42Å; M8-Y10 VanDerWaalsContact O-CD2 3.26Å; M8-Y10 WeakPolarHBondContact O-CD2 3.46Å; M8-Y10 PolarHBondContact O-N 3.46Å; M8-Y10 HydrophobicContact SD-CE2 4.39Å; Y10-E12 PolarHBondContact O-N 3.13Å; Y10-E12 VanDerWaalsContact O-N 3.14Å
11	D	37.8	Very low	50.4	Low	128 Å²	128	131.3 Å²	131.3	68%	0.684	66%	0.664	S	S	*	*			trans	-57.8	115.1	172.6	-77.4	-42.7	0	0	0	109.4	D13 D14	D11-D13 PolarHBondContact O-N 3.48Å; D11-D14 PolarHBondContact O-N 3.11Å
12	E	47.8	Very low	52.8	Low	181 Å²	181	120.6 Å²	120.6	85%	0.846	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-14.4	-178.2	-75.5	-173	153.5	0	0	113.8	Y10	Y10-E12 PolarHBondContact O-N 3.13Å; Y10-E12 VanDerWaalsContact O-N 3.14Å
13	D	48.6	Very low	54.8	Low	122 Å²	122	112 Å²	112	65%	0.652	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-18.2	-176.9	-73.7	-32	0	0	0	114	D11 K632	D11-D13 PolarHBondContact O-N 3.48Å; D13-K632 IonicContact OD1-NZ 3.72Å
14	D	53.8	Low	57.2	Low	124 Å²	124	109.8 Å²	109.8	66%	0.663	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-15.3	-178.1	-98.4	-13.1	0	0	0	113.9	D11 K637	D11-D14 PolarHBondContact O-N 3.11Å; D14-K637 PolarHBondContact O-NZ 3.16Å
15	D	66.3	Low	59.8	Low	70 Å²	70	105.8 Å²	105.8	37%	0.374	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	2.5	-174.4	-106.2	-1.7	0	0	0	114.7	K637	D15-K637 PolarHBondContact O-N 3.14Å; D15-K637 VanDerWaalsContact O-N 3.17Å
16	E	72.7	Confident	62.5	Low	72 Å²	72	98.4 Å²	98.4	34%	0.336	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-81.2	136.1	-177.4	-162.7	155.3	-134.6	0	0	112.5	T18 K632 K637	E16-T18 PolarHBondContact O-N 3.23Å; E16-K632 WeakPolarHBondContact OE1-CD 3.41Å; E16-K632 WeakPolarHBondContact OE1-CG 3.17Å; E16-K632 IonicContact OE2-NZ 3.61Å; E16-K637 WeakPolarHBondContact O-CE 3.25Å; E16-K637 PolarHBondContact O-NZ 3.49Å
17	I	75.7	Confident	65.2	Low	26 Å²	26	90.7 Å²	90.7	13%	0.133	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-77.3	119.4	-177.3	-59.2	176.6	0	0	0	109	L21 W22 A25 L635 K637 I640	I17-L21 HydrophobicContact CG2-CB 4.08Å; I17-W22 HydrophobicContact CG2-CE3 4.37Å; I17-A25 HydrophobicContact CG2-CB 4.46Å; I17-L635 HydrophobicContact CD1-CD2 4.25Å; I17-L635 HydrophobicContact CD1-CG 4.02Å; I17-K637 HydrophobicContact CG1-CG 4Å; I17-I640 HydrophobicContact CD1-CG1 4.01Å
18	T	71.8	Confident	67.9	Low	63 Å²	63	85.4 Å²	85.4	39%	0.387	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-72.9	155.1	175.4	62.2	0	0	0	0	111.3	E16 D20 L21 W22	E16-T18 PolarHBondContact O-N 3.23Å; T18-D20 PolarHBondContact O-N 2.85Å; T18-L21 PolarHBondContact O-N 2.83Å; T18-L21 WeakPolarHBondContact OG1-CD1 3.45Å; T18-L21 WeakPolarHBondContact OG1-CG 3.41Å; T18-W22 PolarHBondContact O-N 2.64Å
19	P	68.7	Low	70.7	Confident	52 Å²	52	79.6 Å²	79.6	34%	0.338	40%	0.397	S	S	.	.	H	α-helix	trans	-55.4	-34.7	177.6	-27.1	35.3	0	0	0	113.9	W22 Q683	P19-W22 VanDerWaalsContact O-CB 3.29Å; P19-W22 WeakPolarHBondContact O-CB 3.43Å; P19-W22 PolarHBondContact O-N 2.87Å; P19-Q683 VanDerWaalsContact CG-NE2 3.28Å
20	D	68.7	Low	73.6	Confident	148 Å²	148	70.6 Å²	70.6	79%	0.791	36%	0.355	S	S	*	.	H	α-helix	trans	-67.7	-38.8	178	-70.5	-22.9	0	0	0	112	T18 W22	T18-D20 PolarHBondContact O-N 2.85Å; D20-W22 VanDerWaalsContact C-N 3.3Å
21	L	81.6	Confident	76.2	Confident	76 Å²	76	64 Å²	64	40%	0.398	33%	0.334	S	S	.	.	H	α-helix	trans	-74.5	-22.3	176.8	-69.8	171	0	0	0	112.4	I17 T18 Q23 E24 A25	I17-L21 HydrophobicContact CG2-CB 4.08Å; T18-L21 PolarHBondContact O-N 2.83Å; T18-L21 WeakPolarHBondContact OG1-CD1 3.45Å; T18-L21 WeakPolarHBondContact OG1-CG 3.41Å; L21-Q23 VanDerWaalsContact C-N 3.32Å; L21-Q23 PolarHBondContact O-N 2.96Å; L21-E24 PolarHBondContact O-N 2.88Å; L21-A25 WeakPolarHBondContact O-CB 3.47Å; L21-A25 PolarHBondContact O-N 3.05Å
22	W	85.9	Confident	78.8	Confident	12 Å²	12	58.1 Å²	58.1	5%	0.045	30%	0.303	C	S	.	.	H	α-helix	trans	-57.7	-43.4	-179	178.5	-112.7	0	0	0	112.9	I17 T18 P19 D20 E24 A25 C26 L626 L633 L635 P679 I698	I17-W22 HydrophobicContact CG2-CE3 4.37Å; T18-W22 PolarHBondContact O-N 2.64Å; P19-W22 VanDerWaalsContact O-CB 3.29Å; P19-W22 WeakPolarHBondContact O-CB 3.43Å; P19-W22 PolarHBondContact O-N 2.87Å; D20-W22 VanDerWaalsContact C-N 3.3Å; W22-E24 PolarHBondContact O-N 2.86Å; W22-A25 PolarHBondContact O-N 3.04Å; W22-C26 HydrophobicContact CD2-CB 4.26Å; W22-C26 HydrophobicContact CH2-CB 4.35Å; W22-C26 HydrophobicContact CZ2-CB 3.93Å; W22-C26 PolarHBondContact O-N 3.14Å; W22-C26 PolarHBondContact O-SG 2.87Å; W22-L626 HydrophobicContact CH2-CD1 3.43Å; W22-L626 VanDerWaalsContact CH2-CD1 3.43Å; W22-L626 HydrophobicContact CZ2-CD1 4.33Å; W22-L626 HydrophobicContact CZ3-CD1 4.25Å; W22-L633 HydrophobicContact CH2-CD1 4.18Å; W22-L633 HydrophobicContact CZ3-CD1 3.85Å; W22-L635 HydrophobicContact CZ3-CD2 4.08Å; W22-P679 HydrophobicContact CB-CG 4.24Å; W22-P679 HydrophobicContact CD2-CG 3.45Å; W22-P679 VanDerWaalsContact CD2-CG 3.45Å; W22-P679 VanDerWaalsContact CE2-CD 3.48Å; W22-P679 HydrophobicContact CE3-CG 3.98Å; W22-P679 HydrophobicContact CG-CG 3.53Å; W22-P679 HydrophobicContact CZ2-CG 4.09Å; W22-P679 HydrophobicContact CZ3-CG 4.47Å; W22-I698 VanDerWaalsContact CZ2-O 3.29Å; W22-I698 WeakPolarHBondContact CZ2-O 3.19Å
23	Q	82.1	Confident	81.1	Confident	58 Å²	58	49.9 Å²	49.9	27%	0.271	26%	0.264	S	S	.	.	H	α-helix	trans	-62.9	-14.8	-177.5	-70.2	-64.5	-21.8	0	0	113.5	L21 R762	L21-Q23 VanDerWaalsContact C-N 3.32Å; L21-Q23 PolarHBondContact O-N 2.96Å; Q23-R762 PolarHBondContact O-NH1 3.44Å
24	E	85.5	Confident	83.3	Confident	115 Å²	115	44.7 Å²	44.7	54%	0.537	24%	0.236	S	C	.	.	H	α-helix	trans	-103.7	-44.4	172.4	-64.4	-178.4	172.9	0	0	110.9	L21 W22 C26 W27 I28	L21-E24 PolarHBondContact O-N 2.88Å; W22-E24 PolarHBondContact O-N 2.86Å; E24-C26 PolarHBondContact O-N 2.85Å; E24-W27 PolarHBondContact O-N 3.06Å; E24-I28 PolarHBondContact O-N 3.32Å
25	A	89.4	Confident	85	Confident	6 Å²	6	42.3 Å²	42.3	5%	0.05	22%	0.223	C	C	.	.	H	α-helix	trans	-56.5	-45.7	-179.2	0	0	0	0	0	113	I17 L21 W22 W27 I28 V29 I640	I17-A25 HydrophobicContact CG2-CB 4.46Å; L21-A25 WeakPolarHBondContact O-CB 3.47Å; L21-A25 PolarHBondContact O-N 3.05Å; W22-A25 PolarHBondContact O-N 3.04Å; A25-W27 VanDerWaalsContact C-N 3.29Å; A25-W27 PolarHBondContact O-N 3.44Å; A25-I28 PolarHBondContact O-N 3.36Å; A25-V29 WeakPolarHBondContact O-CG2 3.48Å; A25-V29 PolarHBondContact O-N 2.89Å; A25-V29 VanDerWaalsContact O-N 3.15Å; A25-I640 HydrophobicContact CB-CD1 4Å; A25-I640 HydrophobicContact CB-CG1 4.05Å; A25-I640 HydrophobicContact CB-CG2 4.29Å
26	C	92.1	Very high	86.1	Confident	1 Å²	1	42 Å²	42	1%	0.007	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-36.4	-179.3	63.6	0	0	0	0	112.5	W22 E24 V29 I30 I698	W22-C26 HydrophobicContact CD2-CB 4.26Å; W22-C26 HydrophobicContact CH2-CB 4.35Å; W22-C26 HydrophobicContact CZ2-CB 3.93Å; W22-C26 PolarHBondContact O-N 3.14Å; W22-C26 PolarHBondContact O-SG 2.87Å; E24-C26 PolarHBondContact O-N 2.85Å; C26-V29 PolarHBondContact O-N 2.7Å; C26-I30 WeakPolarHBondContact O-CD1 3.43Å; C26-I30 WeakPolarHBondContact O-CG1 3.5Å; C26-I30 PolarHBondContact O-N 3.18Å; C26-I698 HydrophobicContact CB-CG2 4.33Å; C26-I698 WeakPolarHBondContact CB-O 3.22Å
27	W	93.6	Very high	87	Confident	14 Å²	14	40.5 Å²	40.5	5%	0.053	21%	0.212	C	C	.	.	H	α-helix	trans	-73.2	-33.4	179	-70.6	93	0	0	0	112.5	E24 A25 V29 I30 S31 H699 S701 M702 R762 S763 Y766 T1000	E24-W27 PolarHBondContact O-N 3.06Å; A25-W27 VanDerWaalsContact C-N 3.29Å; A25-W27 PolarHBondContact O-N 3.44Å; W27-V29 VanDerWaalsContact C-N 3.34Å; W27-I30 HydrophobicContact CE3-CD1 4.24Å; W27-I30 HydrophobicContact CZ3-CD1 4.44Å; W27-I30 PolarHBondContact O-N 3.38Å; W27-S31 WeakPolarHBondContact O-CB 3.47Å; W27-S31 PolarHBondContact O-N 3.01Å; W27-H699 AromaticContact CZ2-CE1 3.63Å; W27-H699 AromaticContact CZ2-CG 3.95Å; W27-H699 AromaticContact CZ2-ND1 3.68Å; W27-H699 AromaticContact CZ2-NE2 3.83Å; W27-H699 AromaticContact NE1-CD2 3.96Å; W27-S701 WeakPolarHBondContact CH2-OG 3.48Å; W27-M702 HydrophobicContact CH2-CE 3.75Å; W27-M702 HydrophobicContact CZ3-CE 3.71Å; W27-R762 VanDerWaalsContact CD1-NH1 3.32Å; W27-R762 HydrophobicContact CD2-CB 3.85Å; W27-R762 HydrophobicContact CD2-CG 4.48Å; W27-R762 HydrophobicContact CE3-CB 3.73Å; W27-R762 HydrophobicContact CH2-CB 3.92Å; W27-R762 HydrophobicContact CZ2-CB 4.04Å; W27-R762 HydrophobicContact CZ3-CB 3.76Å; W27-S763 WeakPolarHBondContact CH2-OG 3.46Å; W27-Y766 AromaticContact CE3-CE2 3.88Å; W27-Y766 HydrophobicContact CE3-CE2 3.88Å; W27-Y766 AromaticContact CZ3-CE2 3.98Å; W27-Y766 HydrophobicContact CZ3-CE2 3.98Å; W27-Y766 PolarHBondContact O-OH 3.15Å; W27-T1000 HydrophobicContact CH2-CG2 4.12Å; W27-T1000 HydrophobicContact CZ2-CG2 3.49Å; W27-T1000 VanDerWaalsContact CZ2-CG2 3.49Å
28	I	93.6	Very high	87.7	Confident	41 Å²	41	40.7 Å²	40.7	21%	0.21	22%	0.221	C	C	.	.	H	α-helix	trans	-62	-45.7	173.6	-65.1	167.6	0	0	0	110	E24 A25 I30 S31 S32 I640 L643	E24-I28 PolarHBondContact O-N 3.32Å; A25-I28 PolarHBondContact O-N 3.36Å; I28-I30 PolarHBondContact O-N 3.4Å; I28-S31 WeakPolarHBondContact O-CB 3.48Å; I28-S31 PolarHBondContact O-N 2.82Å; I28-S32 PolarHBondContact O-N 3.04Å; I28-I640 HydrophobicContact CD1-CG2 3.89Å; I28-L643 HydrophobicContact CG2-CB 4.04Å
29	V	93.8	Very high	88.6	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-46.4	175.5	174.8	0	0	0	0	110.8	A25 C26 W27 S31 S32 Y33 L635 I640 L643 W653 L656	A25-V29 WeakPolarHBondContact O-CG2 3.48Å; A25-V29 PolarHBondContact O-N 2.89Å; A25-V29 VanDerWaalsContact O-N 3.15Å; C26-V29 PolarHBondContact O-N 2.7Å; W27-V29 VanDerWaalsContact C-N 3.34Å; V29-S31 VanDerWaalsContact C-N 3.3Å; V29-S31 PolarHBondContact O-N 2.91Å; V29-S32 PolarHBondContact O-N 2.94Å; V29-S32 PolarHBondContact O-OG 2.87Å; V29-Y33 PolarHBondContact O-N 3.26Å; V29-L635 HydrophobicContact CG2-CD1 4.42Å; V29-L635 HydrophobicContact CG2-CD2 4.17Å; V29-I640 HydrophobicContact CG2-CD1 3.5Å; V29-I640 VanDerWaalsContact CG2-CD1 3.5Å; V29-L643 HydrophobicContact CG2-CD1 3.92Å; V29-W653 HydrophobicContact CG1-CE3 4.34Å; V29-W653 HydrophobicContact CG1-CZ3 3.71Å; V29-L656 HydrophobicContact CG1-CD2 3.87Å
30	I	95.5	Very high	89.7	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-37.5	176.7	-67	164.8	0	0	0	111.7	C26 W27 I28 S32 Y33 F34 M529 I698 H699 M702 Y766	C26-I30 WeakPolarHBondContact O-CD1 3.43Å; C26-I30 WeakPolarHBondContact O-CG1 3.5Å; C26-I30 PolarHBondContact O-N 3.18Å; W27-I30 HydrophobicContact CE3-CD1 4.24Å; W27-I30 HydrophobicContact CZ3-CD1 4.44Å; W27-I30 PolarHBondContact O-N 3.38Å; I28-I30 PolarHBondContact O-N 3.4Å; I30-S32 VanDerWaalsContact C-N 3.33Å; I30-S32 PolarHBondContact O-N 3.03Å; I30-Y33 WeakPolarHBondContact O-CB 3.25Å; I30-Y33 PolarHBondContact O-N 2.81Å; I30-F34 HydrophobicContact CG2-CD2 3.67Å; I30-F34 HydrophobicContact CG2-CE2 3.48Å; I30-F34 VanDerWaalsContact CG2-CE2 3.48Å; I30-F34 WeakPolarHBondContact O-CD2 3.42Å; I30-F34 PolarHBondContact O-N 3.24Å; I30-F34 VanDerWaalsContact O-N 3.15Å; I30-M529 HydrophobicContact CG1-SD 4.19Å; I30-I698 HydrophobicContact CD1-CG2 3.89Å; I30-I698 HydrophobicContact CG1-CG2 3.64Å; I30-H699 HydrophobicContact CD1-CB 3.77Å; I30-M702 HydrophobicContact CD1-CE 4.2Å; I30-M702 HydrophobicContact CD1-CG 4.05Å; I30-M702 HydrophobicContact CD1-SD 4.15Å; I30-M702 HydrophobicContact CG2-CE 4.4Å; I30-M702 HydrophobicContact CG2-SD 3.93Å; I30-Y766 HydrophobicContact CB-CE2 4.4Å; I30-Y766 HydrophobicContact CG2-CD2 4.14Å; I30-Y766 HydrophobicContact CG2-CE2 3.5Å; I30-Y766 VanDerWaalsContact CG2-CE2 3.5Å
31	S	94.8	Very high	90.6	Very high	34 Å²	34	33.7 Å²	33.7	24%	0.238	17%	0.171	C	C	.	.	H	α-helix	trans	-61.2	-44.2	176.1	-166.2	0	0	0	0	111.1	W27 I28 V29 Y33 F34 D35 Y766	W27-S31 WeakPolarHBondContact O-CB 3.47Å; W27-S31 PolarHBondContact O-N 3.01Å; I28-S31 WeakPolarHBondContact O-CB 3.48Å; I28-S31 PolarHBondContact O-N 2.82Å; V29-S31 VanDerWaalsContact C-N 3.3Å; V29-S31 PolarHBondContact O-N 2.91Å; S31-Y33 VanDerWaalsContact C-N 3.26Å; S31-Y33 PolarHBondContact O-N 2.79Å; S31-F34 PolarHBondContact O-N 2.99Å; S31-D35 WeakPolarHBondContact O-CB 3.21Å; S31-D35 VanDerWaalsContact O-CG 3.27Å; S31-D35 PolarHBondContact O-N 3.4Å; S31-Y766 WeakPolarHBondContact CB-OH 3.16Å; S31-Y766 PolarHBondContact N-OH 3.42Å
32	S	93.5	Very high	90.9	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.028	15%	0.154	C	C	.	.	H	α-helix	trans	-59.3	-37.8	177.1	77.9	0	0	0	0	112.6	I28 V29 I30 E36	I28-S32 PolarHBondContact O-N 3.04Å; V29-S32 PolarHBondContact O-N 2.94Å; V29-S32 PolarHBondContact O-OG 2.87Å; I30-S32 VanDerWaalsContact C-N 3.33Å; I30-S32 PolarHBondContact O-N 3.03Å; S32-E36 PolarHBondContact O-N 3.04Å
33	Y	95.1	Very high	91.1	Very high	8 Å²	8	30.1 Å²	30.1	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-48.9	174.8	174.3	-90.7	0	0	0	112	V29 I30 S31 E36 K37 M529 P624 W653	V29-Y33 PolarHBondContact O-N 3.26Å; I30-Y33 WeakPolarHBondContact O-CB 3.25Å; I30-Y33 PolarHBondContact O-N 2.81Å; S31-Y33 VanDerWaalsContact C-N 3.26Å; S31-Y33 PolarHBondContact O-N 2.79Å; Y33-E36 PolarHBondContact O-N 3.19Å; Y33-K37 HydrophobicContact CD2-CG 4.17Å; Y33-K37 HydrophobicContact CE1-CB 4.5Å; Y33-K37 HydrophobicContact CE2-CG 3.98Å; Y33-K37 WeakPolarHBondContact O-CB 3.32Å; Y33-K37 PolarHBondContact O-N 2.66Å; Y33-M529 HydrophobicContact CD1-CE 3.93Å; Y33-M529 HydrophobicContact CD1-CG 4.25Å; Y33-M529 HydrophobicContact CD2-CE 3.87Å; Y33-M529 HydrophobicContact CE1-CB 4.3Å; Y33-M529 HydrophobicContact CE1-CE 4.42Å; Y33-M529 HydrophobicContact CE1-CG 4.16Å; Y33-M529 HydrophobicContact CE2-CE 4.33Å; Y33-M529 HydrophobicContact CG-CE 3.65Å; Y33-M529 PolarHBondContact OH-O 3.09Å; Y33-P624 HydrophobicContact CE2-CG 4.23Å; Y33-W653 AromaticContact CD2-CD2 3.88Å; Y33-W653 HydrophobicContact CD2-CD2 3.88Å; Y33-W653 AromaticContact CD2-CE2 3.59Å; Y33-W653 HydrophobicContact CD2-CE3 4.39Å; Y33-W653 HydrophobicContact CD2-CG 4.28Å; Y33-W653 HydrophobicContact CD2-CH2 4.37Å; Y33-W653 AromaticContact CD2-CZ2 3.87Å; Y33-W653 HydrophobicContact CD2-CZ2 3.87Å; Y33-W653 AromaticContact CD2-NE1 3.8Å; Y33-W653 HydrophobicContact CE2-CZ2 4.5Å; Y33-W653 HydrophobicContact CG-CD2 4.45Å
34	F	94.9	Very high	91.7	Very high	14 Å²	14	28 Å²	28	6%	0.061	14%	0.143	C	C	.	.	H	α-helix	trans	-74	-27.1	-176.8	-76.2	-61.8	0	0	0	113.9	I30 S31 G38 L39 L528 M529 M702 Y766	I30-F34 HydrophobicContact CG2-CD2 3.67Å; I30-F34 HydrophobicContact CG2-CE2 3.48Å; I30-F34 VanDerWaalsContact CG2-CE2 3.48Å; I30-F34 WeakPolarHBondContact O-CD2 3.42Å; I30-F34 PolarHBondContact O-N 3.24Å; I30-F34 VanDerWaalsContact O-N 3.15Å; S31-F34 PolarHBondContact O-N 2.99Å; F34-G38 WeakPolarHBondContact O-CA 3.47Å; F34-G38 PolarHBondContact O-N 3.05Å; F34-L39 HydrophobicContact CD1-CD2 3.77Å; F34-L39 HydrophobicContact CE1-CD2 3.58Å; F34-L528 HydrophobicContact CZ-CB 3.98Å; F34-M529 HydrophobicContact CE2-CG 4.41Å; F34-M529 HydrophobicContact CZ-CG 4.11Å; F34-M702 HydrophobicContact CE2-SD 4.27Å; F34-Y766 HydrophobicContact CB-CD1 4.1Å; F34-Y766 HydrophobicContact CB-CG 4.15Å; F34-Y766 HydrophobicContact CD2-CD1 4.05Å; F34-Y766 AromaticContact CD2-CD2 3.47Å; F34-Y766 HydrophobicContact CD2-CD2 3.47Å; F34-Y766 VanDerWaalsContact CD2-CD2 3.47Å; F34-Y766 HydrophobicContact CD2-CE2 4.03Å; F34-Y766 AromaticContact CD2-CG 3.47Å; F34-Y766 HydrophobicContact CD2-CG 3.47Å; F34-Y766 VanDerWaalsContact CD2-CG 3.47Å; F34-Y766 AromaticContact CE2-CD2 3.78Å; F34-Y766 HydrophobicContact CE2-CD2 3.78Å; F34-Y766 HydrophobicContact CE2-CE2 4.37Å; F34-Y766 HydrophobicContact CE2-CG 4.17Å; F34-Y766 HydrophobicContact CG-CD1 4.39Å; F34-Y766 HydrophobicContact CG-CD2 4.39Å; F34-Y766 AromaticContact CG-CG 3.96Å; F34-Y766 HydrophobicContact CG-CG 3.96Å
35	D	90.8	Very high	92.1	Very high	73 Å²	73	23.9 Å²	23.9	39%	0.39	13%	0.125	S	C	.	.	H	α-helix	trans	-68.9	-37.2	175	-72.9	-24.9	0	0	0	112.1	S31 R646	S31-D35 WeakPolarHBondContact O-CB 3.21Å; S31-D35 VanDerWaalsContact O-CG 3.27Å; S31-D35 PolarHBondContact O-N 3.4Å; D35-R646 VanDerWaalsContact CB-NH1 3.25Å; D35-R646 IonicContact OD2-CZ 3.8Å; D35-R646 VanDerWaalsContact OD2-CZ 3.27Å; D35-R646 IonicContact OD2-NH1 3.94Å; D35-R646 PolarHBondContact OD2-NH1 3.29Å; D35-R646 IonicContact OD2-NH2 3.82Å; D35-R646 PolarHBondContact OD2-NH2 3.42Å
36	E	89.5	Confident	92.3	Very high	65 Å²	65	23.8 Å²	23.8	30%	0.304	12%	0.124	S	C	.	.	H	α-helix	trans	-85.4	-50.2	179.8	-163.9	-166.2	117.5	0	0	112.2	S32 Y33 S652 W653 Q654	S32-E36 PolarHBondContact O-N 3.04Å; Y33-E36 PolarHBondContact O-N 3.19Å; E36-S652 WeakPolarHBondContact OE2-CB 3.16Å; E36-S652 PolarHBondContact OE2-OG 2.82Å; E36-W653 HydrophobicContact CB-CB 4.48Å; E36-W653 PolarHBondContact OE2-N 3.23Å; E36-Q654 PolarHBondContact OE2-N 2.93Å
37	K	89.9	Confident	92.5	Very high	39 Å²	39	23.8 Å²	23.8	17%	0.17	12%	0.124	C	C	.	.	H	α-helix	trans	-84.4	-34.3	-175	-57.2	-54	-171.6	-151.7	0	111.8	Y33 R41 Q654	Y33-K37 HydrophobicContact CD2-CG 4.17Å; Y33-K37 HydrophobicContact CE1-CB 4.5Å; Y33-K37 HydrophobicContact CE2-CG 3.98Å; Y33-K37 WeakPolarHBondContact O-CB 3.32Å; Y33-K37 PolarHBondContact O-N 2.66Å; K37-R41 WeakPolarHBondContact O-CB 3.43Å; K37-R41 VanDerWaalsContact O-CD 3.25Å; K37-R41 WeakPolarHBondContact O-CD 3.37Å; K37-R41 WeakPolarHBondContact O-CG 3.47Å; K37-Q654 VanDerWaalsContact NZ-OE1 3.1Å
38	G	91.3	Very high	92.6	Very high	31 Å²	31	23.6 Å²	23.6	32%	0.32	12%	0.124	S	C	.	.			trans	66.7	-161.5	-170.4	0	0	0	0	0	113	F34	F34-G38 WeakPolarHBondContact O-CA 3.47Å; F34-G38 PolarHBondContact O-N 3.05Å
39	L	91	Very high	92.6	Very high	20 Å²	20	23.7 Å²	23.7	11%	0.105	12%	0.124	C	C	.	.	S	Bend	trans	-106.6	-15.1	-170.8	-68.1	172.6	0	0	0	115.5	F34 L479 R483 L767	F34-L39 HydrophobicContact CD1-CD2 3.77Å; F34-L39 HydrophobicContact CE1-CD2 3.58Å; L39-L479 HydrophobicContact CB-CD2 4.24Å; L39-L479 HydrophobicContact CD1-CD1 3.78Å; L39-L479 HydrophobicContact CD1-CD2 3.93Å; L39-L479 HydrophobicContact CD1-CG 4.47Å; L39-R483 VanDerWaalsContact O-CD 3.29Å; L39-R483 WeakPolarHBondContact O-CD 3.46Å; L39-R483 PolarHBondContact O-NE 3.26Å; L39-L767 HydrophobicContact CD1-CD2 3.8Å; L39-L767 HydrophobicContact CD2-CD2 4.17Å
40	V	92.1	Very high	92.5	Very high	6 Å²	6	23.8 Å²	23.8	4%	0.036	12%	0.124	C	C	.	.	S	Bend	trans	-124.9	14.6	-173.5	-57.1	0	0	0	0	112.8	Q42 Q43 L44 P181 L479 L482	V40-Q42 VanDerWaalsContact C-N 3.26Å; V40-Q42 PolarHBondContact O-N 2.94Å; V40-Q43 PolarHBondContact O-N 2.99Å; V40-L44 HydrophobicContact CG2-CD1 4.19Å; V40-L44 PolarHBondContact O-N 2.81Å; V40-P181 HydrophobicContact CG1-CB 4.01Å; V40-P181 HydrophobicContact CG1-CG 4.31Å; V40-P181 HydrophobicContact CG2-CB 3.77Å; V40-P181 VanDerWaalsContact CG2-O 3.24Å; V40-P181 WeakPolarHBondContact CG2-O 3.4Å; V40-L479 HydrophobicContact CG1-CD2 4.45Å; V40-L482 HydrophobicContact CG1-CB 3.9Å; V40-L482 HydrophobicContact CG1-CD1 3.73Å; V40-L482 HydrophobicContact CG1-CG 4.42Å
41	R	86.7	Confident	92.4	Very high	90 Å²	90	24.3 Å²	24.3	34%	0.34	13%	0.127	S	C	.	.	H	α-helix	trans	-53.4	-42.4	-173.2	-156.2	68	-152.9	175.1	5.4	113.1	K37 Q43 L44 D45	K37-R41 WeakPolarHBondContact O-CB 3.43Å; K37-R41 VanDerWaalsContact O-CD 3.25Å; K37-R41 WeakPolarHBondContact O-CD 3.37Å; K37-R41 WeakPolarHBondContact O-CG 3.47Å; R41-Q43 PolarHBondContact O-N 2.95Å; R41-Q43 VanDerWaalsContact O-N 3.1Å; R41-L44 CarbonylContact O-C 3.46Å; R41-L44 PolarHBondContact O-N 3.39Å; R41-D45 WeakPolarHBondContact CG-OD2 3.48Å; R41-D45 IonicContact CZ-OD1 3.52Å; R41-D45 IonicContact NE-OD1 2.69Å; R41-D45 PolarHBondContact NE-OD1 3.02Å; R41-D45 IonicContact NE-OD2 2.87Å; R41-D45 PolarHBondContact NE-OD2 2.81Å; R41-D45 IonicContact NH2-OD1 2.86Å; R41-D45 PolarHBondContact NH2-OD1 2.72Å; R41-D45 PolarHBondContact O-N 3.43Å
42	Q	88.1	Confident	92.2	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-54.4	-34.9	179.2	68.6	-74.6	0.1	0	0	113.3	V40 S46 L395 L526 I532	V40-Q42 VanDerWaalsContact C-N 3.26Å; V40-Q42 PolarHBondContact O-N 2.94Å; Q42-S46 WeakPolarHBondContact O-CB 3.3Å; Q42-S46 PolarHBondContact O-N 3.32Å; Q42-L395 HydrophobicContact CB-CD1 4.16Å; Q42-L395 WeakPolarHBondContact O-CD1 3.18Å; Q42-L526 HydrophobicContact CG-CD1 4.23Å; Q42-I532 HydrophobicContact CB-CB 4.29Å; Q42-I532 HydrophobicContact CB-CD1 4.46Å; Q42-I532 HydrophobicContact CG-CD1 4.29Å
43	Q	90.6	Very high	92	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.019	16%	0.158	C	C	.	.	H	α-helix	trans	-75.7	-38.7	177.6	-65.9	-73.7	5.2	0	0	111.7	V40 R41 F47 M155 L194 L482	V40-Q43 PolarHBondContact O-N 2.99Å; R41-Q43 PolarHBondContact O-N 2.95Å; R41-Q43 VanDerWaalsContact O-N 3.1Å; Q43-F47 WeakPolarHBondContact O-CB 3.42Å; Q43-F47 PolarHBondContact O-N 2.94Å; Q43-M155 HydrophobicContact CB-SD 4.42Å; Q43-L194 PolarHBondContact NE2-O 2.85Å; Q43-L194 VanDerWaalsContact NE2-O 3.13Å; Q43-L482 PolarHBondContact NE2-O 3.49Å
44	L	94.3	Very high	91.7	Very high	13 Å²	13	31.7 Å²	31.7	7%	0.068	16%	0.16	C	C	.	.	H	α-helix	trans	-70.5	-51.8	-180	-64.3	174.7	0	0	0	110.7	V40 R41 S46 F47 D48 M155 L156 R157	V40-L44 HydrophobicContact CG2-CD1 4.19Å; V40-L44 PolarHBondContact O-N 2.81Å; R41-L44 CarbonylContact O-C 3.46Å; R41-L44 PolarHBondContact O-N 3.39Å; L44-S46 VanDerWaalsContact C-N 3.32Å; L44-S46 PolarHBondContact O-N 2.92Å; L44-F47 PolarHBondContact O-N 3.25Å; L44-D48 WeakPolarHBondContact O-CB 3.43Å; L44-D48 PolarHBondContact O-N 3.44Å; L44-M155 HydrophobicContact CD2-CG 4.26Å; L44-M155 HydrophobicContact CD2-SD 3.82Å; L44-L156 WeakPolarHBondContact CD2-O 3.37Å; L44-R157 HydrophobicContact CD1-CB 4.44Å; L44-R157 HydrophobicContact CD2-CB 4.34Å
45	D	93.7	Very high	91.6	Very high	30 Å²	30	31.1 Å²	31.1	16%	0.16	16%	0.157	C	C	.	.	H	α-helix	trans	-61.6	-41.5	-179.3	-67.4	-16.8	0	0	0	111.2	R41 F47 D48 E49 V534	R41-D45 WeakPolarHBondContact CG-OD2 3.48Å; R41-D45 IonicContact CZ-OD1 3.52Å; R41-D45 IonicContact NE-OD1 2.69Å; R41-D45 PolarHBondContact NE-OD1 3.02Å; R41-D45 IonicContact NE-OD2 2.87Å; R41-D45 PolarHBondContact NE-OD2 2.81Å; R41-D45 IonicContact NH2-OD1 2.86Å; R41-D45 PolarHBondContact NH2-OD1 2.72Å; R41-D45 PolarHBondContact O-N 3.43Å; D45-F47 VanDerWaalsContact C-N 3.3Å; D45-F47 PolarHBondContact O-N 2.95Å; D45-D48 PolarHBondContact O-N 3.38Å; D45-E49 WeakPolarHBondContact O-CB 3.4Å; D45-E49 PolarHBondContact O-N 2.91Å; D45-V534 HydrophobicContact CB-CG1 3.72Å
46	S	94.7	Very high	91.6	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.028	14%	0.142	C	C	.	.	H	α-helix	trans	-64.2	-34.6	175.8	-177.1	0	0	0	0	112.6	Q42 L44 F50 L395 G397 P398	Q42-S46 WeakPolarHBondContact O-CB 3.3Å; Q42-S46 PolarHBondContact O-N 3.32Å; L44-S46 VanDerWaalsContact C-N 3.32Å; L44-S46 PolarHBondContact O-N 2.92Å; S46-F50 WeakPolarHBondContact O-CB 3.38Å; S46-F50 PolarHBondContact O-N 3.27Å; S46-L395 VanDerWaalsContact OG-CB 3.3Å; S46-L395 WeakPolarHBondContact OG-CB 3.21Å; S46-G397 WeakPolarHBondContact O-CA 3.27Å; S46-G397 WeakPolarHBondContact OG-CA 3.35Å; S46-G397 PolarHBondContact OG-N 2.89Å; S46-P398 WeakPolarHBondContact OG-CD 3.47Å
47	F	95.8	Very high	91.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-75.6	-36.3	175.3	179.9	-98.3	0	0	0	112.3	Q43 L44 D45 F50 I51 I154 M155 F185 L400	Q43-F47 WeakPolarHBondContact O-CB 3.42Å; Q43-F47 PolarHBondContact O-N 2.94Å; L44-F47 PolarHBondContact O-N 3.25Å; D45-F47 VanDerWaalsContact C-N 3.3Å; D45-F47 PolarHBondContact O-N 2.95Å; F47-F50 HydrophobicContact CD2-CD1 4.19Å; F47-F50 HydrophobicContact CE2-CD1 4.14Å; F47-F50 HydrophobicContact CE2-CE1 4.39Å; F47-F50 WeakPolarHBondContact O-CB 3.3Å; F47-F50 PolarHBondContact O-N 2.92Å; F47-I51 PolarHBondContact O-N 2.92Å; F47-I154 HydrophobicContact CE1-CD1 4.48Å; F47-I154 HydrophobicContact CE1-CG2 4.46Å; F47-I154 HydrophobicContact CZ-CD1 4.1Å; F47-M155 HydrophobicContact CB-CE 3.75Å; F47-M155 HydrophobicContact CB-SD 3.99Å; F47-M155 HydrophobicContact CD1-CB 3.63Å; F47-M155 HydrophobicContact CD2-CB 4.27Å; F47-M155 HydrophobicContact CD2-CE 4.2Å; F47-M155 HydrophobicContact CE1-CB 3.81Å; F47-M155 HydrophobicContact CE2-CB 4.43Å; F47-M155 HydrophobicContact CG-CB 3.87Å; F47-M155 HydrophobicContact CG-CE 4.02Å; F47-M155 HydrophobicContact CG-SD 4.32Å; F47-M155 HydrophobicContact CZ-CB 4.22Å; F47-F185 HydrophobicContact CD2-CE1 4.16Å; F47-F185 AromaticContact CD2-CZ 3.83Å; F47-F185 HydrophobicContact CD2-CZ 3.83Å; F47-F185 AromaticContact CE2-CE1 3.69Å; F47-F185 HydrophobicContact CE2-CE1 3.69Å; F47-F185 AromaticContact CE2-CZ 3.81Å; F47-F185 HydrophobicContact CE2-CZ 3.81Å; F47-F185 HydrophobicContact CZ-CE1 4.14Å; F47-L400 HydrophobicContact CD2-CD1 3.73Å; F47-L400 HydrophobicContact CE2-CD1 3.83Å
48	D	94.7	Very high	91.5	Very high	11 Å²	11	26.1 Å²	26.1	6%	0.059	13%	0.13	C	C	.	.	H	α-helix	trans	-68.4	-42.5	178.8	-75.8	-13.6	0	0	0	111.2	L44 D45 F50 I51 Q52 S158 T159	L44-D48 WeakPolarHBondContact O-CB 3.43Å; L44-D48 PolarHBondContact O-N 3.44Å; D45-D48 PolarHBondContact O-N 3.38Å; D48-F50 VanDerWaalsContact C-N 3.29Å; D48-F50 PolarHBondContact O-N 3.11Å; D48-I51 WeakPolarHBondContact O-CG2 3.5Å; D48-I51 PolarHBondContact O-N 3.1Å; D48-Q52 VanDerWaalsContact O-CB 3.32Å; D48-Q52 WeakPolarHBondContact O-CB 3.37Å; D48-Q52 VanDerWaalsContact O-CG 3.22Å; D48-Q52 WeakPolarHBondContact O-CG 3.33Å; D48-Q52 PolarHBondContact O-N 3.29Å; D48-S158 VanDerWaalsContact OD1-CB 3.28Å; D48-S158 WeakPolarHBondContact OD1-CB 3.23Å; D48-T159 VanDerWaalsContact CG-OG1 3.25Å; D48-T159 PolarHBondContact OD1-N 3.27Å; D48-T159 WeakPolarHBondContact OD2-CB 3.12Å; D48-T159 PolarHBondContact OD2-N 3.43Å; D48-T159 PolarHBondContact OD2-OG1 3.03Å
49	E	93.3	Very high	91.5	Very high	43 Å²	43	24.8 Å²	24.8	20%	0.201	12%	0.116	C	C	.	.	H	α-helix	trans	-58.8	-44.8	169.7	-174	-74.2	146	0	0	110.5	D45 I51 Q52 M53 S54	D45-E49 WeakPolarHBondContact O-CB 3.4Å; D45-E49 PolarHBondContact O-N 2.91Å; E49-I51 VanDerWaalsContact C-N 3.31Å; E49-I51 PolarHBondContact O-N 3.49Å; E49-Q52 PolarHBondContact O-N 3.5Å; E49-M53 PolarHBondContact O-N 3.27Å; E49-S54 PolarHBondContact O-N 3.44Å
50	F	93.3	Very high	91.4	Very high	3 Å²	3	29 Å²	29	1%	0.013	14%	0.135	C	C	.	.	I	π-helix	trans	-57	-49.5	-177.5	158.1	-100.3	0	0	0	111	S46 F47 D48 S54 V55 L400 A401 F404	S46-F50 WeakPolarHBondContact O-CB 3.38Å; S46-F50 PolarHBondContact O-N 3.27Å; F47-F50 HydrophobicContact CD2-CD1 4.19Å; F47-F50 HydrophobicContact CE2-CD1 4.14Å; F47-F50 HydrophobicContact CE2-CE1 4.39Å; F47-F50 WeakPolarHBondContact O-CB 3.3Å; F47-F50 PolarHBondContact O-N 2.92Å; D48-F50 VanDerWaalsContact C-N 3.29Å; D48-F50 PolarHBondContact O-N 3.11Å; F50-S54 WeakPolarHBondContact CA-OG 3.15Å; F50-S54 WeakPolarHBondContact CD2-OG 3.4Å; F50-S54 PolarHBondContact O-N 3.43Å; F50-S54 PolarHBondContact O-OG 3.14Å; F50-V55 HydrophobicContact CD1-CG2 4.25Å; F50-V55 HydrophobicContact CD2-CG2 3.93Å; F50-V55 HydrophobicContact CE1-CG2 3.78Å; F50-V55 HydrophobicContact CE2-CG2 3.38Å; F50-V55 HydrophobicContact CG-CG2 4.32Å; F50-V55 HydrophobicContact CZ-CG2 3.3Å; F50-V55 WeakPolarHBondContact O-CG2 3.4Å; F50-V55 PolarHBondContact O-N 2.85Å; F50-L400 HydrophobicContact CD1-CB 4.3Å; F50-L400 HydrophobicContact CD1-CD1 4.31Å; F50-L400 HydrophobicContact CD2-CB 4.1Å; F50-L400 HydrophobicContact CE1-CB 4.02Å; F50-L400 HydrophobicContact CE1-CD1 4.23Å; F50-L400 HydrophobicContact CE2-CB 3.84Å; F50-L400 HydrophobicContact CG-CB 4.35Å; F50-L400 HydrophobicContact CZ-CB 3.79Å; F50-A401 HydrophobicContact CD2-CB 4Å; F50-A401 HydrophobicContact CE2-CB 4.2Å; F50-F404 HydrophobicContact CE2-CB 4.45Å; F50-F404 HydrophobicContact CZ-CB 4.39Å
51	I	93	Very high	91	Very high	11 Å²	11	33.2 Å²	33.2	6%	0.056	16%	0.157	C	C	.	.	I	π-helix	trans	-76.8	-29.1	-173.6	-160.6	65	0	0	0	112.9	F47 D48 E49 V55 L93 I152 Y160	F47-I51 PolarHBondContact O-N 2.92Å; D48-I51 WeakPolarHBondContact O-CG2 3.5Å; D48-I51 PolarHBondContact O-N 3.1Å; E49-I51 VanDerWaalsContact C-N 3.31Å; E49-I51 PolarHBondContact O-N 3.49Å; I51-V55 HydrophobicContact CD1-CG2 4.45Å; I51-L93 HydrophobicContact CD1-CD1 4.3Å; I51-L93 HydrophobicContact CD1-CD2 3.72Å; I51-L93 HydrophobicContact CG1-CD2 3.38Å; I51-I152 HydrophobicContact CD1-CD1 4.27Å; I51-Y160 HydrophobicContact CG1-CD2 4.39Å; I51-Y160 HydrophobicContact CG2-CD2 3.6Å; I51-Y160 HydrophobicContact CG2-CE2 3.7Å
52	Q	89.6	Confident	91	Very high	101 Å²	101	30.1 Å²	30.1	47%	0.472	15%	0.151	S	C	.	.	I	π-helix	trans	-80.4	-47.3	-179.8	-72.1	178.8	2.5	0	0	112.7	D48 E49 Y160	D48-Q52 VanDerWaalsContact O-CB 3.32Å; D48-Q52 WeakPolarHBondContact O-CB 3.37Å; D48-Q52 VanDerWaalsContact O-CG 3.22Å; D48-Q52 WeakPolarHBondContact O-CG 3.33Å; D48-Q52 PolarHBondContact O-N 3.29Å; E49-Q52 PolarHBondContact O-N 3.5Å; Q52-Y160 HydrophobicContact CG-CE2 4.01Å
53	M	89	Confident	91	Very high	90 Å²	90	34.6 Å²	34.6	44%	0.443	18%	0.18	S	C	.	.	I	π-helix	trans	-115.3	-52.5	-169.8	-59.1	-166.8	83	0	0	112.4	E49 V55 Q56 R57	E49-M53 PolarHBondContact O-N 3.27Å; M53-V55 PolarHBondContact O-N 3.41Å; M53-Q56 PolarHBondContact O-N 2.74Å; M53-R57 VanDerWaalsContact CE-NH2 3.27Å; M53-R57 WeakPolarHBondContact O-CG 3.06Å; M53-R57 PolarHBondContact O-N 3.33Å
54	S	89.9	Confident	91	Very high	10 Å²	10	37.6 Å²	37.6	7%	0.07	20%	0.2	C	C	.	.	I	π-helix	trans	-65.7	-36.2	-168.3	83.4	0	0	0	0	113.3	E49 F50 R57 I58	E49-S54 PolarHBondContact O-N 3.44Å; F50-S54 WeakPolarHBondContact CA-OG 3.15Å; F50-S54 WeakPolarHBondContact CD2-OG 3.4Å; F50-S54 PolarHBondContact O-N 3.43Å; F50-S54 PolarHBondContact O-OG 3.14Å; S54-R57 PolarHBondContact O-N 3.24Å; S54-I58 WeakPolarHBondContact O-CD1 3.39Å; S54-I58 WeakPolarHBondContact O-CG1 3.42Å; S54-I58 PolarHBondContact O-N 2.95Å
55	V	91.7	Very high	90.8	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-64.9	-42.9	176.8	171.7	0	0	0	0	111	F50 I51 M53 I58 V59 I91 F404	F50-V55 HydrophobicContact CD1-CG2 4.25Å; F50-V55 HydrophobicContact CD2-CG2 3.93Å; F50-V55 HydrophobicContact CE1-CG2 3.78Å; F50-V55 HydrophobicContact CE2-CG2 3.38Å; F50-V55 HydrophobicContact CG-CG2 4.32Å; F50-V55 HydrophobicContact CZ-CG2 3.3Å; F50-V55 WeakPolarHBondContact O-CG2 3.4Å; F50-V55 PolarHBondContact O-N 2.85Å; I51-V55 HydrophobicContact CD1-CG2 4.45Å; M53-V55 PolarHBondContact O-N 3.41Å; V55-I58 PolarHBondContact O-N 2.8Å; V55-V59 WeakPolarHBondContact O-CG2 3.36Å; V55-V59 PolarHBondContact O-N 3.06Å; V55-I91 HydrophobicContact CG1-CD1 3.44Å; V55-I91 VanDerWaalsContact CG1-CD1 3.44Å; V55-F404 HydrophobicContact CG1-CD1 4.48Å; V55-F404 HydrophobicContact CG1-CE1 3.86Å; V55-F404 HydrophobicContact CG1-CZ 4.07Å
56	Q	91.9	Very high	90.7	Very high	17 Å²	17	39.3 Å²	39.3	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-49.8	177.5	-178	57.7	37.1	0	0	110.4	M53 I58 V59 E60 E89 I91	M53-Q56 PolarHBondContact O-N 2.74Å; Q56-I58 VanDerWaalsContact C-N 3.32Å; Q56-I58 PolarHBondContact O-N 2.96Å; Q56-V59 PolarHBondContact O-N 2.81Å; Q56-E60 WeakPolarHBondContact CG-OE1 3.44Å; Q56-E60 PolarHBondContact NE2-OE1 2.91Å; Q56-E60 WeakPolarHBondContact O-CG 3.29Å; Q56-E60 PolarHBondContact O-N 3.31Å; Q56-E89 PolarHBondContact NE2-O 2.84Å; Q56-I91 HydrophobicContact CB-CG2 4.48Å; Q56-I91 VanDerWaalsContact OE1-CB 3.27Å
57	R	88.1	Confident	90.3	Very high	49 Å²	49	39.2 Å²	39.2	19%	0.185	21%	0.208	C	C	.	.	H	α-helix	trans	-58.5	-40.7	177.2	-68.9	175.6	179.4	172.1	-3.1	112.8	M53 S54 V59 E60 D61 Q537	M53-R57 VanDerWaalsContact CE-NH2 3.27Å; M53-R57 WeakPolarHBondContact O-CG 3.06Å; M53-R57 PolarHBondContact O-N 3.33Å; S54-R57 PolarHBondContact O-N 3.24Å; R57-V59 VanDerWaalsContact C-N 3.25Å; R57-V59 PolarHBondContact O-N 3.45Å; R57-E60 PolarHBondContact O-N 3.28Å; R57-D61 VanDerWaalsContact O-CB 3.24Å; R57-D61 WeakPolarHBondContact O-CB 3.49Å; R57-D61 PolarHBondContact O-N 3.15Å; R57-Q537 VanDerWaalsContact NH2-CD 3.29Å
58	I	89.8	Confident	89.9	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.036	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-36	177.7	-73	163.6	0	0	0	111.9	S54 V55 Q56 A401 F404 R405	S54-I58 WeakPolarHBondContact O-CD1 3.39Å; S54-I58 WeakPolarHBondContact O-CG1 3.42Å; S54-I58 PolarHBondContact O-N 2.95Å; V55-I58 PolarHBondContact O-N 2.8Å; Q56-I58 VanDerWaalsContact C-N 3.32Å; Q56-I58 PolarHBondContact O-N 2.96Å; I58-A401 HydrophobicContact CD1-CB 3.97Å; I58-F404 HydrophobicContact CD1-CD1 4.29Å; I58-F404 HydrophobicContact CG2-CD1 3.99Å; I58-F404 HydrophobicContact CG2-CE1 4.13Å; I58-R405 HydrophobicContact CD1-CB 4.32Å; I58-R405 HydrophobicContact CG2-CB 3.93Å; I58-R405 HydrophobicContact CG2-CG 4.01Å
59	V	90.7	Very high	89.3	Confident	3 Å²	3	45.7 Å²	45.7	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-73.3	-43.6	178.5	174	0	0	0	0	110.5	V55 Q56 R57 A62 F88 I91 V126 F404 F408	V55-V59 WeakPolarHBondContact O-CG2 3.36Å; V55-V59 PolarHBondContact O-N 3.06Å; Q56-V59 PolarHBondContact O-N 2.81Å; R57-V59 VanDerWaalsContact C-N 3.25Å; R57-V59 PolarHBondContact O-N 3.45Å; V59-A62 WeakPolarHBondContact O-CB 3.39Å; V59-A62 PolarHBondContact O-N 3.27Å; V59-F88 HydrophobicContact CG1-CB 3.68Å; V59-I91 HydrophobicContact CG2-CD1 4.25Å; V59-V126 HydrophobicContact CG1-CG2 4.15Å; V59-F404 HydrophobicContact CG2-CE1 4.38Å; V59-F408 HydrophobicContact CB-CE1 4.43Å; V59-F408 HydrophobicContact CB-CZ 4.42Å; V59-F408 HydrophobicContact CG1-CE1 4.41Å; V59-F408 HydrophobicContact CG1-CZ 4.06Å; V59-F408 HydrophobicContact CG2-CE1 4.18Å; V59-F408 HydrophobicContact CG2-CE2 4.35Å; V59-F408 HydrophobicContact CG2-CZ 4.02Å
60	E	87.8	Confident	88.5	Confident	109 Å²	109	50.2 Å²	50.2	51%	0.509	26%	0.263	S	S	.	.	H	α-helix	trans	-66.3	-40.2	178.2	-69.5	171.4	177.5	0	0	113.1	Q56 R57 A62	Q56-E60 WeakPolarHBondContact CG-OE1 3.44Å; Q56-E60 PolarHBondContact NE2-OE1 2.91Å; Q56-E60 WeakPolarHBondContact O-CG 3.29Å; Q56-E60 PolarHBondContact O-N 3.31Å; R57-E60 PolarHBondContact O-N 3.28Å; E60-A62 PolarHBondContact O-N 2.91Å
61	D	85.3	Confident	87.1	Confident	94 Å²	94	54.5 Å²	54.5	50%	0.503	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.6	178.4	-77.4	-13.1	0	0	0	113	R57	R57-D61 VanDerWaalsContact O-CB 3.24Å; R57-D61 WeakPolarHBondContact O-CB 3.49Å; R57-D61 PolarHBondContact O-N 3.15Å
62	A	86.6	Confident	85.4	Confident	24 Å²	24	61.1 Å²	61.1	20%	0.198	33%	0.33	C	S	.	.	S	Bend	trans	-72.7	127	179.5	0	0	0	0	0	109.9	V59 E60 F408 L412	V59-A62 WeakPolarHBondContact O-CB 3.39Å; V59-A62 PolarHBondContact O-N 3.27Å; E60-A62 PolarHBondContact O-N 2.91Å; A62-F408 HydrophobicContact CB-CD1 4.32Å; A62-F408 HydrophobicContact CB-CE1 3.83Å; A62-L412 HydrophobicContact CB-CD1 3.75Å
63	P	87.9	Confident	83.6	Confident	102 Å²	102	65.9 Å²	65.9	66%	0.662	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-63.1	144.1	-179.2	26.5	-34.4	0	0	0	110.5
64	P	90.5	Very high	81.9	Confident	67 Å²	67	65.4 Å²	65.4	44%	0.435	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-60.2	144.6	176.7	26	-33.7	0	0	0	110.3	D66 L85 L86 K87	P64-D66 PolarHBondContact O-N 3.07Å; P64-L85 HydrophobicContact CB-CD1 4.12Å; P64-L85 HydrophobicContact CB-CG 4.23Å; P64-L85 HydrophobicContact CG-CD1 4.37Å; P64-L86 CarbonylContact C-O 3.56Å; P64-L86 VanDerWaalsContact CA-O 3.3Å; P64-L86 WeakPolarHBondContact CA-O 3.47Å; P64-L86 WeakPolarHBondContact CB-O 3.39Å; P64-K87 HydrophobicContact CB-CB 4.48Å
65	I	90.1	Very high	80.1	Confident	14 Å²	14	71 Å²	71	7%	0.072	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	112.8	177	-49.5	176.4	0	0	0	107.3	L67 L86 F88 L412 V415 R416	I65-L67 HydrophobicContact CG2-CD1 4.12Å; I65-L67 HydrophobicContact CG2-CD2 4.43Å; I65-L67 HydrophobicContact CG2-CG 3.97Å; I65-L86 HydrophobicContact CB-CB 4.18Å; I65-L86 HydrophobicContact CB-CD1 4.49Å; I65-L86 HydrophobicContact CD1-CD1 4.45Å; I65-L86 PolarHBondContact N-O 3.11Å; I65-L86 PolarHBondContact O-N 3.36Å; I65-F88 HydrophobicContact CD1-CE2 4.06Å; I65-F88 HydrophobicContact CG1-CE2 4.47Å; I65-L412 HydrophobicContact CD1-CB 4.2Å; I65-L412 HydrophobicContact CD1-CD2 3.87Å; I65-L412 HydrophobicContact CG1-CD2 4.29Å; I65-V415 HydrophobicContact CD1-CB 4.15Å; I65-V415 HydrophobicContact CD1-CG1 3.87Å; I65-R416 HydrophobicContact CG2-CB 3.9Å; I65-R416 HydrophobicContact CG2-CG 3.85Å
66	D	90.3	Very high	78.1	Confident	65 Å²	65	74 Å²	74	35%	0.348	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.4	176.1	-175.3	19.3	0	0	0	110.4	P64 R83 L85	P64-D66 PolarHBondContact O-N 3.07Å; D66-R83 VanDerWaalsContact CG-NE 3.29Å; D66-R83 VanDerWaalsContact OD1-CG 3.25Å; D66-R83 WeakPolarHBondContact OD1-CG 3.4Å; D66-R83 IonicContact OD1-CZ 2.93Å; D66-R83 IonicContact OD1-NE 2.83Å; D66-R83 PolarHBondContact OD1-NE 3.27Å; D66-R83 IonicContact OD1-NH2 3.72Å; D66-R83 IonicContact OD2-CZ 2.82Å; D66-R83 VanDerWaalsContact OD2-CZ 3.26Å; D66-R83 IonicContact OD2-NE 2.64Å; D66-R83 PolarHBondContact OD2-NE 2.91Å; D66-R83 VanDerWaalsContact OD2-NE 3.09Å; D66-R83 IonicContact OD2-NH2 3.05Å; D66-R83 PolarHBondContact OD2-NH2 3.07Å; D66-L85 HydrophobicContact CB-CD1 3.99Å
67	L	87.9	Confident	76.2	Confident	2 Å²	2	82 Å²	82	1%	0.01	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	135.6	-170.9	-71.6	173.7	0	0	0	110.8	I65 R83 Y84 R416 A419 I423	I65-L67 HydrophobicContact CG2-CD1 4.12Å; I65-L67 HydrophobicContact CG2-CD2 4.43Å; I65-L67 HydrophobicContact CG2-CG 3.97Å; L67-R83 WeakPolarHBondContact O-CA 3.41Å; L67-Y84 PolarHBondContact N-O 3.38Å; L67-Y84 PolarHBondContact O-N 3.31Å; L67-R416 HydrophobicContact CD2-CG 3.53Å; L67-R416 HydrophobicContact CG-CG 4.45Å; L67-A419 HydrophobicContact CD1-CB 3.35Å; L67-I423 HydrophobicContact CB-CD1 3.69Å; L67-I423 HydrophobicContact CD1-CD1 4.48Å; L67-I423 HydrophobicContact CD2-CD1 4.42Å; L67-I423 HydrophobicContact CG-CD1 4.42Å
68	Q	87.1	Confident	74.5	Confident	126 Å²	126	86.5 Å²	86.5	59%	0.589	50%	0.502	S	S	*	.			trans	-134.9	150.6	170.2	64.8	-174.6	9.6	0	0	108.2	Q420	Q68-Q420 PolarHBondContact O-NE2 3.07Å
69	A	81.2	Confident	73	Confident	21 Å²	21	94.4 Å²	94.4	17%	0.174	54%	0.539	C	S	.	.			trans	-63.4	144.9	175.3	0	0	0	0	0	110.4	A71 P81	A69-A71 PolarHBondContact O-N 2.93Å; A69-P81 HydrophobicContact CB-CB 3.81Å
70	E	76.4	Confident	71.8	Confident	139 Å²	139	100.3 Å²	100.3	65%	0.65	57%	0.566	S	S	*	*			trans	-64.1	129.6	171.7	-70.6	-172.9	169	0	0	109.9	Q72 D424	E70-Q72 PolarHBondContact O-N 3.5Å; E70-D424 PolarHBondContact N-OD1 2.82Å
71	A	63.7	Low	71.1	Confident	92 Å²	92	97.6 Å²	97.6	76%	0.76	56%	0.558	S	S	*	*			trans	-64.3	96.2	177.1	0	0	0	0	0	109.7	A69	A69-A71 PolarHBondContact O-N 2.93Å
72	Q	57.9	Low	70.9	Confident	150 Å²	150	95.2 Å²	95.2	70%	0.701	55%	0.548	S	S	*	.			trans	-69.7	132.8	166.1	-64.6	-179.5	12.9	0	0	107	E70 A74	E70-Q72 PolarHBondContact O-N 3.5Å; Q72-A74 PolarHBondContact O-N 2.73Å
73	H	52.1	Low	70.9	Confident	201 Å²	201	99.7 Å²	99.7	93%	0.931	56%	0.559	S	S	*	*			trans	-66.6	70.9	174	-64.9	-60.8	0	0	0	110.3
74	A	52.4	Low	70.8	Confident	80 Å²	80	96 Å²	96	66%	0.661	53%	0.532	S	S	*	.			trans	-78.4	119.8	166.2	0	0	0	0	0	107.6	Q72 G76	Q72-A74 PolarHBondContact O-N 2.73Å; A74-G76 PolarHBondContact O-N 3.25Å; A74-G76 VanDerWaalsContact O-N 3.14Å
75	S	53.7	Low	70.9	Confident	129 Å²	129	95.3 Å²	95.3	90%	0.902	53%	0.525	S	S	*	.	S	Bend	trans	-74.1	99.3	177	56.2	0	0	0	0	109.8
76	G	49.8	Very low	70.9	Confident	63 Å²	63	94.6 Å²	94.6	65%	0.649	52%	0.521	S	S	*	.	S	Bend	trans	127.2	116	170.2	0	0	0	0	0	112.4	A74	A74-G76 PolarHBondContact O-N 3.25Å; A74-G76 VanDerWaalsContact O-N 3.14Å
77	E	51.3	Low	71.1	Confident	184 Å²	184	96.4 Å²	96.4	86%	0.86	53%	0.526	S	S	*	.			trans	64.2	116.9	-179.5	-63.3	-175.6	173.1	0	0	116.1	E79	E77-E79 VanDerWaalsContact C-N 3.34Å; E77-E79 PolarHBondContact O-N 3.03Å; E77-E79 VanDerWaalsContact O-N 3.11Å
78	V	51.9	Low	71.2	Confident	144 Å²	144	96.9 Å²	96.9	87%	0.873	53%	0.528	S	S	*	.			trans	-81.7	82.2	174.2	-177.1	0	0	0	0	107.2	E80	V78-E80 PolarHBondContact O-N 3.46Å
79	E	59	Low	71.4	Confident	174 Å²	174	93.8 Å²	93.8	81%	0.813	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-70.7	120.4	160.2	-80.4	-171.4	155.2	0	0	107.6	E77	E77-E79 VanDerWaalsContact C-N 3.34Å; E77-E79 PolarHBondContact O-N 3.03Å; E77-E79 VanDerWaalsContact O-N 3.11Å
80	E	64.2	Low	71.9	Confident	126 Å²	126	97 Å²	97	59%	0.589	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-64.5	125	170.9	-67.7	-161.8	165.4	0	0	108.9	V78 E135	V78-E80 PolarHBondContact O-N 3.46Å; E80-E135 HydrophobicContact CB-CG 4.34Å
81	P	74.6	Confident	72.7	Confident	53 Å²	53	91.3 Å²	91.3	34%	0.344	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-65	143.4	-178.3	25.8	-33.3	0	0	0	110.5	A69 R83	A69-P81 HydrophobicContact CB-CB 3.81Å; P81-R83 PolarHBondContact O-N 3.44Å
82	P	80	Confident	74.1	Confident	43 Å²	43	91 Å²	91	28%	0.279	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-59.5	138.4	179.7	23.7	-32.9	0	0	0	111.1	Y84 I133 K134	P82-Y84 HydrophobicContact CB-CE2 4.1Å; P82-Y84 HydrophobicContact CG-CE2 3.99Å; P82-Y84 WeakPolarHBondContact O-CD2 3.34Å; P82-Y84 WeakPolarHBondContact O-CE2 3.31Å; P82-I133 CarbonylContact C-O 3.58Å; P82-I133 WeakPolarHBondContact CA-O 3.47Å; P82-K134 HydrophobicContact CB-CB 4.34Å; P82-K134 HydrophobicContact CB-CG 4.42Å
83	R	85.9	Confident	75.7	Confident	118 Å²	118	85.5 Å²	85.5	45%	0.445	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.3	-179.1	-171.3	178.3	177.9	-166.7	-0.6	110	D66 L67 P81 I133	D66-R83 VanDerWaalsContact CG-NE 3.29Å; D66-R83 VanDerWaalsContact OD1-CG 3.25Å; D66-R83 WeakPolarHBondContact OD1-CG 3.4Å; D66-R83 IonicContact OD1-CZ 2.93Å; D66-R83 IonicContact OD1-NE 2.83Å; D66-R83 PolarHBondContact OD1-NE 3.27Å; D66-R83 IonicContact OD1-NH2 3.72Å; D66-R83 IonicContact OD2-CZ 2.82Å; D66-R83 VanDerWaalsContact OD2-CZ 3.26Å; D66-R83 IonicContact OD2-NE 2.64Å; D66-R83 PolarHBondContact OD2-NE 2.91Å; D66-R83 VanDerWaalsContact OD2-NE 3.09Å; D66-R83 IonicContact OD2-NH2 3.05Å; D66-R83 PolarHBondContact OD2-NH2 3.07Å; L67-R83 WeakPolarHBondContact O-CA 3.41Å; P81-R83 PolarHBondContact O-N 3.44Å; R83-I133 HydrophobicContact CB-CB 4.44Å; R83-I133 PolarHBondContact N-O 3.13Å; R83-I133 PolarHBondContact O-N 3.23Å
84	Y	87.7	Confident	77.6	Confident	25 Å²	25	77.9 Å²	77.9	10%	0.098	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.1	-179.5	-61.5	-99.1	0	0	0	109.7	L67 P82 V132 I423 F429	L67-Y84 PolarHBondContact N-O 3.38Å; L67-Y84 PolarHBondContact O-N 3.31Å; P82-Y84 HydrophobicContact CB-CE2 4.1Å; P82-Y84 HydrophobicContact CG-CE2 3.99Å; P82-Y84 WeakPolarHBondContact O-CD2 3.34Å; P82-Y84 WeakPolarHBondContact O-CE2 3.31Å; Y84-V132 HydrophobicContact CD1-CB 4.36Å; Y84-V132 HydrophobicContact CD1-CG1 3.97Å; Y84-V132 HydrophobicContact CD1-CG2 3.71Å; Y84-V132 HydrophobicContact CE1-CB 4.39Å; Y84-V132 HydrophobicContact CE1-CG1 3.65Å; Y84-V132 HydrophobicContact CE1-CG2 3.84Å; Y84-I423 HydrophobicContact CD2-CG2 3.78Å; Y84-I423 HydrophobicContact CE2-CB 4.22Å; Y84-I423 HydrophobicContact CE2-CG2 3.63Å; Y84-I423 HydrophobicContact CG-CG2 4.36Å; Y84-F429 HydrophobicContact CD1-CE1 4.01Å; Y84-F429 HydrophobicContact CG-CE1 4.34Å
85	L	91.1	Very high	79.6	Confident	52 Å²	52	79.9 Å²	79.9	27%	0.272	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.3	176.5	-158.7	76.4	0	0	0	110	P64 D66 T131	P64-L85 HydrophobicContact CB-CD1 4.12Å; P64-L85 HydrophobicContact CB-CG 4.23Å; P64-L85 HydrophobicContact CG-CD1 4.37Å; D66-L85 HydrophobicContact CB-CD1 3.99Å; L85-T131 PolarHBondContact N-O 3.12Å; L85-T131 PolarHBondContact O-N 3.04Å
86	L	91.4	Very high	81.5	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.7	174	-59.3	172.8	0	0	0	109.5	P64 I65 K130 V415 F429 L431	P64-L86 CarbonylContact C-O 3.56Å; P64-L86 VanDerWaalsContact CA-O 3.3Å; P64-L86 WeakPolarHBondContact CA-O 3.47Å; P64-L86 WeakPolarHBondContact CB-O 3.39Å; I65-L86 HydrophobicContact CB-CB 4.18Å; I65-L86 HydrophobicContact CB-CD1 4.49Å; I65-L86 HydrophobicContact CD1-CD1 4.45Å; I65-L86 PolarHBondContact N-O 3.11Å; I65-L86 PolarHBondContact O-N 3.36Å; L86-K130 HydrophobicContact CD2-CB 3.65Å; L86-K130 HydrophobicContact CD2-CD 4.3Å; L86-K130 HydrophobicContact CD2-CG 3.7Å; L86-V415 HydrophobicContact CD1-CG1 4.11Å; L86-F429 HydrophobicContact CD1-CE2 4.02Å; L86-F429 HydrophobicContact CD1-CZ 3.93Å; L86-F429 HydrophobicContact CD2-CE2 4.4Å; L86-F429 HydrophobicContact CD2-CZ 4.13Å; L86-F429 HydrophobicContact CG-CZ 4.35Å; L86-L431 HydrophobicContact CD2-CD1 4Å
87	K	92.9	Very high	83.5	Confident	102 Å²	102	72 Å²	72	44%	0.443	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.4	175.9	-175.3	-171.6	174.7	-147.5	0	109.7	P64 E89 I128 T129	P64-K87 HydrophobicContact CB-CB 4.48Å; K87-E89 HydrophobicContact CD-CG 4.3Å; K87-E89 HydrophobicContact CG-CG 4.27Å; K87-E89 IonicContact NZ-OE1 2.93Å; K87-E89 PolarHBondContact NZ-OE1 3.3Å; K87-I128 WeakPolarHBondContact O-CA 3.49Å; K87-T129 PolarHBondContact N-O 3.01Å; K87-T129 PolarHBondContact O-N 3.28Å
88	F	91.4	Very high	85.2	Confident	13 Å²	13	64 Å²	64	6%	0.057	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.6	174.8	-62.9	-97.6	0	0	0	107.7	V59 I65 V126 I128 I149 F408 L412	V59-F88 HydrophobicContact CG1-CB 3.68Å; I65-F88 HydrophobicContact CD1-CE2 4.06Å; I65-F88 HydrophobicContact CG1-CE2 4.47Å; F88-V126 HydrophobicContact CB-CG2 4.39Å; F88-V126 HydrophobicContact CD1-CG1 3.93Å; F88-V126 HydrophobicContact CD1-CG2 4.48Å; F88-V126 HydrophobicContact CE1-CG1 4.48Å; F88-I128 HydrophobicContact CD1-CD1 3.95Å; F88-I128 HydrophobicContact CD1-CG1 3.75Å; F88-I128 HydrophobicContact CE1-CD1 3.54Å; F88-I128 HydrophobicContact CE1-CG1 3.87Å; F88-I128 HydrophobicContact CE1-CG2 4.46Å; F88-I128 HydrophobicContact CZ-CD1 4.41Å; F88-I149 HydrophobicContact CE1-CD1 4.48Å; F88-F408 HydrophobicContact CB-CZ 4.48Å; F88-F408 HydrophobicContact CD1-CZ 4.34Å; F88-F408 HydrophobicContact CG-CZ 4.22Å; F88-L412 HydrophobicContact CD2-CD2 3.69Å; F88-L412 HydrophobicContact CE2-CD2 3.18Å; F88-L412 HydrophobicContact CZ-CD2 3.66Å
89	E	89.9	Confident	86.5	Confident	61 Å²	61	63.7 Å²	63.7	29%	0.285	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-116.9	-172.7	-58.6	-166.5	144.6	0	0	111.1	Q56 K87 D127 T129	Q56-E89 PolarHBondContact NE2-O 2.84Å; K87-E89 HydrophobicContact CD-CG 4.3Å; K87-E89 HydrophobicContact CG-CG 4.27Å; K87-E89 IonicContact NZ-OE1 2.93Å; K87-E89 PolarHBondContact NZ-OE1 3.3Å; E89-D127 PolarHBondContact N-O 3.41Å; E89-T129 HydrophobicContact CG-CG2 4.31Å; E89-T129 WeakPolarHBondContact OE2-CG2 3.38Å
90	Q	92.5	Very high	87.2	Confident	87 Å²	87	59.3 Å²	59.3	41%	0.407	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	137	-173.6	-174.3	59.1	40.3	0	0	112.1	Y92 V126 D127	Q90-Y92 HydrophobicContact CB-CE2 4.47Å; Q90-Y92 HydrophobicContact CG-CE1 4.11Å; Q90-Y92 HydrophobicContact CG-CE2 4.27Å; Q90-V126 WeakPolarHBondContact O-CA 3.49Å; Q90-V126 WeakPolarHBondContact O-CG2 3.07Å; Q90-D127 PolarHBondContact O-N 3.2Å
91	I	93.2	Very high	87.5	Confident	20 Å²	20	62.6 Å²	62.6	10%	0.103	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	144.9	172.2	-146.4	168.8	0	0	0	111.5	V55 Q56 V59 L124 Y125	V55-I91 HydrophobicContact CG1-CD1 3.44Å; V55-I91 VanDerWaalsContact CG1-CD1 3.44Å; Q56-I91 HydrophobicContact CB-CG2 4.48Å; Q56-I91 VanDerWaalsContact OE1-CB 3.27Å; V59-I91 HydrophobicContact CG2-CD1 4.25Å; I91-L124 HydrophobicContact CD1-CD1 3.43Å; I91-L124 VanDerWaalsContact CD1-CD1 3.43Å; I91-L124 HydrophobicContact CD1-CD2 3.73Å; I91-L124 HydrophobicContact CD1-CG 3.67Å; I91-L124 HydrophobicContact CG1-CD1 3.68Å; I91-L124 HydrophobicContact CG1-CD2 4.5Å; I91-L124 HydrophobicContact CG1-CG 3.95Å; I91-Y125 CarbonylContact C-O 3.51Å; I91-Y125 WeakPolarHBondContact CA-O 3.46Å; I91-Y125 WeakPolarHBondContact CG1-O 3.23Å
92	Y	93.3	Very high	87.2	Confident	85 Å²	85	67.3 Å²	67.3	33%	0.333	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.4	170.2	-50.2	-87.8	0	0	0	109.9	Q90 Y125 D127 K146	Q90-Y92 HydrophobicContact CB-CE2 4.47Å; Q90-Y92 HydrophobicContact CG-CE1 4.11Å; Q90-Y92 HydrophobicContact CG-CE2 4.27Å; Y92-Y125 PolarHBondContact N-O 3.05Å; Y92-Y125 PolarHBondContact O-N 3.48Å; Y92-D127 VanDerWaalsContact CE2-CG 3.49Å; Y92-D127 WeakPolarHBondContact CE2-OD1 3.47Å; Y92-D127 WeakPolarHBondContact CE2-OD2 3.44Å; Y92-D127 PolarHBondContact OH-OD2 3.06Å; Y92-K146 HydrophobicContact CD2-CG 4.2Å; Y92-K146 HydrophobicContact CE2-CG 4.33Å
93	L	91.7	Very high	86.6	Confident	35 Å²	35	67.2 Å²	67.2	18%	0.183	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.1	172	-171.8	76.1	0	0	0	109.6	I51 A122 L124 I154 Y160	I51-L93 HydrophobicContact CD1-CD1 4.3Å; I51-L93 HydrophobicContact CD1-CD2 3.72Å; I51-L93 HydrophobicContact CG1-CD2 3.38Å; L93-A122 HydrophobicContact CD1-CB 3.9Å; L93-A122 HydrophobicContact CG-CB 4.27Å; L93-L124 HydrophobicContact CD1-CD1 3.78Å; L93-I154 HydrophobicContact CD2-CD1 4.12Å; L93-Y160 HydrophobicContact CD2-CD1 3.96Å; L93-Y160 HydrophobicContact CD2-CD2 4.19Å; L93-Y160 HydrophobicContact CD2-CE1 4.37Å; L93-Y160 HydrophobicContact CD2-CG 3.85Å
94	S	92.5	Very high	86.4	Confident	41 Å²	41	64.8 Å²	64.8	29%	0.287	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-85.2	163.8	171.3	173.5	0	0	0	0	111.1	A122 P123	S94-A122 WeakPolarHBondContact O-CB 3.44Å; S94-P123 PolarHBondContact N-O 2.69Å; S94-P123 VanDerWaalsContact N-O 3.14Å
95	K	93.1	Very high	86.2	Confident	122 Å²	122	67.3 Å²	67.3	53%	0.53	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-65.1	158.1	162.3	-67.5	-166.8	176.8	-169.1	0	111	T97 L162	K95-T97 PolarHBondContact O-N 3.32Å; K95-L162 HydrophobicContact CB-CD2 4.41Å; K95-L162 HydrophobicContact CD-CD2 3.94Å
96	P	95.3	Very high	86.2	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.006	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-57.8	122.8	178.2	-28.9	39	0	0	0	113.2	M108 Y120 S121 A122 I154	P96-M108 HydrophobicContact CB-CB 4.44Å; P96-M108 PolarHBondContact O-N 3.33Å; P96-M108 VanDerWaalsContact O-N 3.11Å; P96-Y120 HydrophobicContact CB-CD2 4.28Å; P96-Y120 HydrophobicContact CB-CE1 4.43Å; P96-Y120 HydrophobicContact CB-CE2 3.81Å; P96-Y120 HydrophobicContact CG-CE1 3.85Å; P96-Y120 HydrophobicContact CG-CE2 4.04Å; P96-S121 WeakPolarHBondContact CA-O 3.46Å; P96-A122 HydrophobicContact CG-CB 4.35Å; P96-I154 HydrophobicContact CG-CB 4.26Å; P96-I154 HydrophobicContact CG-CG1 4.11Å; P96-I154 HydrophobicContact CG-CG2 4.48Å
97	T	91.6	Very high	86.2	Confident	27 Å²	27	70.1 Å²	70.1	17%	0.166	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.6	-179.4	50.8	0	0	0	0	111.5	K95 S106	K95-T97 PolarHBondContact O-N 3.32Å; T97-S106 CarbonylContact C-O 3.58Å; T97-S106 WeakPolarHBondContact CA-O 3.47Å
98	H	85.8	Confident	86.2	Confident	16 Å²	16	65.6 Å²	65.6	7%	0.074	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	142.2	172	-173.7	-114.7	0	0	0	109.4	E100 P105 S106 M108	H98-E100 IonicContact CE1-OE1 3.65Å; H98-E100 IonicContact ND1-OE1 2.85Å; H98-P105 WeakPolarHBondContact O-CA 3.24Å; H98-S106 PolarHBondContact N-O 3.23Å; H98-S106 PolarHBondContact O-N 2.89Å; H98-M108 HydrophobicContact CB-CB 4.17Å; H98-M108 HydrophobicContact CB-CE 3.66Å; H98-M108 HydrophobicContact CB-CG 4.45Å
99	W	80.3	Confident	86.3	Confident	137 Å²	137	67.8 Å²	67.8	52%	0.519	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.3	177.7	-70	65.9	0	0	0	107.2	P105	W99-P105 HydrophobicContact CD2-CB 4.35Å; W99-P105 HydrophobicContact CZ2-CB 4.24Å
100	E	72.4	Confident	86.6	Confident	81 Å²	81	65 Å²	65	38%	0.379	34%	0.338	S	S	.	.			trans	-85.1	164.2	172.4	-54.2	-148	135	0	0	110.1	H98 D102 G103 R116	H98-E100 IonicContact CE1-OE1 3.65Å; H98-E100 IonicContact ND1-OE1 2.85Å; E100-D102 PolarHBondContact O-N 3.49Å; E100-D102 VanDerWaalsContact O-N 3.15Å; E100-G103 PolarHBondContact O-N 2.88Å; E100-R116 IonicContact OE1-CZ 3.29Å; E100-R116 IonicContact OE1-NH1 3.61Å; E100-R116 PolarHBondContact OE1-NH1 3.02Å; E100-R116 IonicContact OE1-NH2 2.79Å; E100-R116 PolarHBondContact OE1-NH2 3.14Å
101	R	70.3	Confident	86.7	Confident	196 Å²	196	61.4 Å²	61.4	74%	0.74	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.6	178.1	-75.9	-174.5	173.6	-158.2	-2	112.6	G103 E914	R101-G103 PolarHBondContact O-N 3.32Å; R101-E914 VanDerWaalsContact CZ-O 3.26Å; R101-E914 PolarHBondContact NE-O 3.21Å; R101-E914 PolarHBondContact NH2-O 3.15Å
102	D	68	Low	86.7	Confident	151 Å²	151	63 Å²	63	81%	0.807	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-2.7	175.9	-56.5	-25.7	0	0	0	113	E100 A104	E100-D102 PolarHBondContact O-N 3.49Å; E100-D102 VanDerWaalsContact O-N 3.15Å; D102-A104 VanDerWaalsContact C-N 3.33Å; D102-A104 PolarHBondContact O-N 2.86Å
103	G	69.2	Low	86.7	Confident	42 Å²	42	58.9 Å²	58.9	43%	0.433	31%	0.313	S	S	.	.			trans	85.8	-11.6	167.5	0	0	0	0	0	115.8	E100 R101	E100-G103 PolarHBondContact O-N 2.88Å; R101-G103 PolarHBondContact O-N 3.32Å
104	A	80.8	Confident	86.8	Confident	66 Å²	66	57.7 Å²	57.7	55%	0.545	31%	0.306	S	S	.	.			trans	-78.3	127.3	176.8	0	0	0	0	0	111.5	D102	D102-A104 VanDerWaalsContact C-N 3.33Å; D102-A104 PolarHBondContact O-N 2.86Å
105	P	84.6	Confident	86.9	Confident	79 Å²	79	57.4 Å²	57.4	51%	0.513	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129	173.3	30.6	-32.3	0	0	0	110.5	H98 W99	H98-P105 WeakPolarHBondContact O-CA 3.24Å; W99-P105 HydrophobicContact CD2-CB 4.35Å; W99-P105 HydrophobicContact CZ2-CB 4.24Å
106	S	89.3	Confident	86.9	Confident	38 Å²	38	52.8 Å²	52.8	27%	0.266	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	149.2	171.3	63.2	0	0	0	0	111	T97 H98 M108	T97-S106 CarbonylContact C-O 3.58Å; T97-S106 WeakPolarHBondContact CA-O 3.47Å; H98-S106 PolarHBondContact N-O 3.23Å; H98-S106 PolarHBondContact O-N 2.89Å; S106-M108 PolarHBondContact O-N 2.84Å
107	P	92.2	Very high	86.8	Confident	73 Å²	73	54.3 Å²	54.3	47%	0.474	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	127.5	171.1	27.7	-32.9	0	0	0	109.1	M109 L162	P107-M109 PolarHBondContact O-N 3.35Å; P107-L162 HydrophobicContact CB-CD1 4.18Å
108	M	92.7	Very high	86.9	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.03	28%	0.281	C	S	.	.			trans	-81.4	114.9	-176.5	-175.8	-178.1	-62.9	0	0	109.8	P96 H98 S106 A113 L118 Y120 L162	P96-M108 HydrophobicContact CB-CB 4.44Å; P96-M108 PolarHBondContact O-N 3.33Å; P96-M108 VanDerWaalsContact O-N 3.11Å; H98-M108 HydrophobicContact CB-CB 4.17Å; H98-M108 HydrophobicContact CB-CE 3.66Å; H98-M108 HydrophobicContact CB-CG 4.45Å; S106-M108 PolarHBondContact O-N 2.84Å; M108-A113 HydrophobicContact CG-CB 4.28Å; M108-A113 HydrophobicContact SD-CB 3.98Å; M108-L118 HydrophobicContact CE-CD1 4.44Å; M108-L118 HydrophobicContact SD-CB 4.46Å; M108-Y120 HydrophobicContact CG-CD2 4.22Å; M108-Y120 VanDerWaalsContact O-CE2 3.23Å; M108-Y120 WeakPolarHBondContact O-CE2 3.31Å; M108-Y120 HydrophobicContact SD-CD2 4.13Å; M108-L162 WeakPolarHBondContact O-CD1 3.12Å
109	M	94.4	Very high	87.4	Confident	60 Å²	60	53.2 Å²	53.2	30%	0.296	28%	0.282	S	S	.	.			trans	-77.1	142.7	174.4	-64.5	-59.3	171.1	0	0	111.1	P107 N111 E112 A113 L162 L174	P107-M109 PolarHBondContact O-N 3.35Å; M109-N111 PolarHBondContact O-N 3.14Å; M109-E112 HydrophobicContact CB-CB 4.13Å; M109-E112 WeakPolarHBondContact O-CB 3.47Å; M109-E112 PolarHBondContact O-N 3.3Å; M109-A113 PolarHBondContact O-N 2.65Å; M109-L162 HydrophobicContact SD-CD1 4.08Å; M109-L174 HydrophobicContact CE-CD2 4.06Å; M109-L174 HydrophobicContact SD-CD1 4.44Å; M109-L174 HydrophobicContact SD-CD2 3.99Å
110	P	95.7	Very high	88.1	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.013	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-43.1	-178.7	-23.3	33.3	0	0	0	113	E112 A113 R114 Y120 L156 L163 I186	P110-E112 VanDerWaalsContact C-N 3.31Å; P110-E112 PolarHBondContact O-N 3.44Å; P110-A113 WeakPolarHBondContact O-CB 3.01Å; P110-A113 PolarHBondContact O-N 2.79Å; P110-A113 VanDerWaalsContact O-N 3.13Å; P110-R114 WeakPolarHBondContact O-CG 3.38Å; P110-R114 PolarHBondContact O-N 3.46Å; P110-Y120 HydrophobicContact CB-CD2 4.45Å; P110-Y120 HydrophobicContact CB-CE2 4.33Å; P110-Y120 HydrophobicContact CG-CD2 4.3Å; P110-Y120 HydrophobicContact CG-CE2 3.71Å; P110-L156 HydrophobicContact CB-CD2 3.9Å; P110-L156 HydrophobicContact CB-CG 4.33Å; P110-L163 HydrophobicContact CG-CD1 3.92Å; P110-L163 HydrophobicContact CG-CD2 4.33Å; P110-L163 HydrophobicContact CG-CG 4Å; P110-I186 HydrophobicContact CB-CD1 3.84Å
111	N	94.9	Very high	89.2	Confident	11 Å²	11	43.4 Å²	43.4	6%	0.059	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-41.8	175.8	-166.3	28.7	0	0	0	112.6	M109 A113 R114 L115 E176	M109-N111 PolarHBondContact O-N 3.14Å; N111-A113 VanDerWaalsContact C-N 3.32Å; N111-A113 PolarHBondContact O-N 3.48Å; N111-R114 WeakPolarHBondContact O-CB 3.37Å; N111-R114 PolarHBondContact O-N 2.82Å; N111-R114 VanDerWaalsContact O-N 3.17Å; N111-L115 WeakPolarHBondContact O-CG 3.4Å; N111-L115 PolarHBondContact O-N 3.3Å; N111-E176 WeakPolarHBondContact CB-OE1 3.45Å; N111-E176 PolarHBondContact N-OE1 3.32Å; N111-E176 VanDerWaalsContact N-OE1 3.11Å
112	E	92.5	Very high	90.4	Very high	53 Å²	53	34.1 Å²	34.1	25%	0.248	21%	0.209	C	C	.	.	H	α-helix	trans	-59.4	-44	174.4	-171.1	-168.5	166.6	0	0	111.3	M109 P110 R114 L115 R116	M109-E112 HydrophobicContact CB-CB 4.13Å; M109-E112 WeakPolarHBondContact O-CB 3.47Å; M109-E112 PolarHBondContact O-N 3.3Å; P110-E112 VanDerWaalsContact C-N 3.31Å; P110-E112 PolarHBondContact O-N 3.44Å; E112-R114 VanDerWaalsContact C-N 3.3Å; E112-R114 PolarHBondContact O-N 2.64Å; E112-L115 PolarHBondContact O-N 3.37Å; E112-R116 HydrophobicContact CG-CG 4.28Å; E112-R116 WeakPolarHBondContact O-CB 3.48Å; E112-R116 PolarHBondContact O-N 2.96Å; E112-R116 WeakPolarHBondContact OE1-CD 3.27Å; E112-R116 IonicContact OE1-CZ 3.58Å; E112-R116 IonicContact OE1-NE 3.65Å; E112-R116 IonicContact OE1-NH1 2.61Å; E112-R116 PolarHBondContact OE1-NH1 3.42Å
113	A	94.2	Very high	91.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-37.2	177	0	0	0	0	0	112.7	M108 M109 P110 N111 N117 L118 I186 G189	M108-A113 HydrophobicContact CG-CB 4.28Å; M108-A113 HydrophobicContact SD-CB 3.98Å; M109-A113 PolarHBondContact O-N 2.65Å; P110-A113 WeakPolarHBondContact O-CB 3.01Å; P110-A113 PolarHBondContact O-N 2.79Å; P110-A113 VanDerWaalsContact O-N 3.13Å; N111-A113 VanDerWaalsContact C-N 3.32Å; N111-A113 PolarHBondContact O-N 3.48Å; A113-N117 PolarHBondContact O-N 3.03Å; A113-L118 HydrophobicContact CB-CB 4.18Å; A113-L118 PolarHBondContact O-N 3.07Å; A113-I186 HydrophobicContact CB-CG2 4.15Å; A113-G189 WeakPolarHBondContact O-CA 3.32Å
114	R	94.1	Very high	92.9	Very high	10 Å²	10	25.2 Å²	25.2	4%	0.038	15%	0.151	C	C	.	.	H	α-helix	trans	-63.8	-48	173.5	-58	-171.6	-163.7	98.7	-5.5	111.2	P110 N111 E112 L156 E176 Y184 I186 E191 R743 K920	P110-R114 WeakPolarHBondContact O-CG 3.38Å; P110-R114 PolarHBondContact O-N 3.46Å; N111-R114 WeakPolarHBondContact O-CB 3.37Å; N111-R114 PolarHBondContact O-N 2.82Å; N111-R114 VanDerWaalsContact O-N 3.17Å; E112-R114 VanDerWaalsContact C-N 3.3Å; E112-R114 PolarHBondContact O-N 2.64Å; R114-L156 VanDerWaalsContact NH2-CD2 3.33Å; R114-E176 IonicContact CZ-OE1 3.31Å; R114-E176 IonicContact CZ-OE2 2.84Å; R114-E176 IonicContact NH1-OE1 3.18Å; R114-E176 PolarHBondContact NH1-OE1 3.21Å; R114-E176 IonicContact NH1-OE2 3.66Å; R114-E176 PolarHBondContact NH1-OE2 3.35Å; R114-E176 VanDerWaalsContact NH1-OE2 3.16Å; R114-E176 IonicContact NH2-OE1 2.77Å; R114-E176 PolarHBondContact NH2-OE1 3.39Å; R114-E176 IonicContact NH2-OE2 3.49Å; R114-E176 PolarHBondContact NH2-OE2 3.36Å; R114-Y184 PolarHBondContact NH2-OH 3.48Å; R114-I186 HydrophobicContact CG-CD1 3.62Å; R114-I186 HydrophobicContact CG-CG1 4.16Å; R114-I186 HydrophobicContact CG-CG2 4.06Å; R114-E191 IonicContact NE-OE1 3.86Å; R114-E191 PolarHBondContact NE-OE1 3.02Å; R114-R743 VanDerWaalsContact CD-NH1 3.28Å; R114-R743 VanDerWaalsContact NE-NH1 3.11Å; R114-K920 PolarHBondContact O-NZ 3.39Å
115	L	93.9	Very high	93.5	Very high	35 Å²	35	25 Å²	25	18%	0.183	14%	0.137	C	C	.	.	H	α-helix	trans	-67.2	-46.7	-175.6	-67.9	179.8	0	0	0	111.7	N111 E112 N117 M744 M908 K920	N111-L115 WeakPolarHBondContact O-CG 3.4Å; N111-L115 PolarHBondContact O-N 3.3Å; E112-L115 PolarHBondContact O-N 3.37Å; L115-N117 VanDerWaalsContact C-N 3.32Å; L115-N117 PolarHBondContact O-N 3.22Å; L115-M744 HydrophobicContact CD2-CB 3.84Å; L115-M744 HydrophobicContact CD2-CG 3.65Å; L115-M908 HydrophobicContact CB-CE 3.73Å; L115-M908 HydrophobicContact CB-SD 4.12Å; L115-M908 HydrophobicContact CD2-SD 3.82Å; L115-M908 HydrophobicContact CG-SD 4.46Å; L115-K920 WeakPolarHBondContact O-CE 3.49Å; L115-K920 PolarHBondContact O-NZ 3.14Å
116	R	92.3	Very high	94	Very high	24 Å²	24	21.3 Å²	21.3	9%	0.091	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	2.8	-177.9	-66	178.7	72.2	173.3	6.2	115.2	E100 E112 L118 T910 L911	E100-R116 IonicContact OE1-CZ 3.29Å; E100-R116 IonicContact OE1-NH1 3.61Å; E100-R116 PolarHBondContact OE1-NH1 3.02Å; E100-R116 IonicContact OE1-NH2 2.79Å; E100-R116 PolarHBondContact OE1-NH2 3.14Å; E112-R116 HydrophobicContact CG-CG 4.28Å; E112-R116 WeakPolarHBondContact O-CB 3.48Å; E112-R116 PolarHBondContact O-N 2.96Å; E112-R116 WeakPolarHBondContact OE1-CD 3.27Å; E112-R116 IonicContact OE1-CZ 3.58Å; E112-R116 IonicContact OE1-NE 3.65Å; E112-R116 IonicContact OE1-NH1 2.61Å; E112-R116 PolarHBondContact OE1-NH1 3.42Å; R116-L118 HydrophobicContact CB-CD1 3.9Å; R116-L118 HydrophobicContact CB-CG 3.73Å; R116-L118 PolarHBondContact O-N 2.89Å; R116-T910 HydrophobicContact CG-CG2 4.02Å; R116-L911 PolarHBondContact NE-O 3.39Å; R116-L911 VanDerWaalsContact NE-O 3.12Å; R116-L911 PolarHBondContact NH2-O 3.47Å
117	N	93.4	Very high	94.2	Very high	33 Å²	33	20 Å²	20	18%	0.176	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	34.8	-171.3	-66	-9.4	0	0	0	114	A113 L115 N188 F918 K920	A113-N117 PolarHBondContact O-N 3.03Å; L115-N117 VanDerWaalsContact C-N 3.32Å; L115-N117 PolarHBondContact O-N 3.22Å; N117-N188 CarbonylContact O-C 3.43Å; N117-N188 VanDerWaalsContact O-CA 3.31Å; N117-N188 WeakPolarHBondContact O-CA 3.5Å; N117-F918 WeakPolarHBondContact ND2-CZ 2.99Å; N117-K920 VanDerWaalsContact OD1-CE 3.24Å; N117-K920 WeakPolarHBondContact OD1-CE 3.48Å; N117-K920 PolarHBondContact OD1-NZ 3.02Å
118	L	93.4	Very high	94.2	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.021	8%	0.08	C	C	.	.			trans	-84.1	166.2	175.4	-56.8	172.5	0	0	0	110.8	M108 A113 R116 N188 G189 Q913	M108-L118 HydrophobicContact CE-CD1 4.44Å; M108-L118 HydrophobicContact SD-CB 4.46Å; A113-L118 HydrophobicContact CB-CB 4.18Å; A113-L118 PolarHBondContact O-N 3.07Å; R116-L118 HydrophobicContact CB-CD1 3.9Å; R116-L118 HydrophobicContact CB-CG 3.73Å; R116-L118 PolarHBondContact O-N 2.89Å; L118-N188 PolarHBondContact O-N 3.26Å; L118-G189 PolarHBondContact O-N 3.49Å; L118-Q913 HydrophobicContact CD2-CB 3.77Å
119	T	95.8	Very high	94.2	Very high	16 Å²	16	16.4 Å²	16.4	10%	0.098	8%	0.08	C	C	.	.			trans	-100.8	119.5	169.8	-64.5	0	0	0	0	108.9	S121 P153 I186 I187 N188	T119-S121 PolarHBondContact O-N 3.13Å; T119-S121 PolarHBondContact O-OG 3.24Å; T119-P153 HydrophobicContact CG2-CG 4.37Å; T119-I186 WeakPolarHBondContact CA-O 3.3Å; T119-I187 HydrophobicContact CG2-CB 4.45Å; T119-I187 HydrophobicContact CG2-CG1 4.3Å; T119-I187 HydrophobicContact CG2-CG2 4.21Å; T119-N188 PolarHBondContact OG1-N 3.12Å
120	Y	96.8	Very high	94.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.068	C	C	.	.			trans	-71.6	98.4	177	-173	-102.2	0	0	0	109.4	P96 M108 P110 P153 I154 L156 C161 L162 I186	P96-Y120 HydrophobicContact CB-CD2 4.28Å; P96-Y120 HydrophobicContact CB-CE1 4.43Å; P96-Y120 HydrophobicContact CB-CE2 3.81Å; P96-Y120 HydrophobicContact CG-CE1 3.85Å; P96-Y120 HydrophobicContact CG-CE2 4.04Å; M108-Y120 HydrophobicContact CG-CD2 4.22Å; M108-Y120 VanDerWaalsContact O-CE2 3.23Å; M108-Y120 WeakPolarHBondContact O-CE2 3.31Å; M108-Y120 HydrophobicContact SD-CD2 4.13Å; P110-Y120 HydrophobicContact CB-CD2 4.45Å; P110-Y120 HydrophobicContact CB-CE2 4.33Å; P110-Y120 HydrophobicContact CG-CD2 4.3Å; P110-Y120 HydrophobicContact CG-CE2 3.71Å; Y120-P153 WeakPolarHBondContact O-CA 3.49Å; Y120-I154 HydrophobicContact CD1-CB 4.08Å; Y120-I154 WeakPolarHBondContact CD1-O 2.74Å; Y120-I154 HydrophobicContact CE1-CB 3.93Å; Y120-I154 HydrophobicContact CE1-CG2 3.97Å; Y120-I154 PolarHBondContact O-N 3.18Å; Y120-L156 HydrophobicContact CD1-CD1 4.04Å; Y120-L156 HydrophobicContact CE1-CD1 4.36Å; Y120-C161 PolarHBondContact OH-SG 2.87Å; Y120-L162 PolarHBondContact OH-N 2.96Å; Y120-I186 PolarHBondContact N-O 3.15Å
121	S	95.4	Very high	93.9	Very high	13 Å²	13	14.8 Å²	14.8	9%	0.091	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.1	-171.4	55.7	0	0	0	0	111.5	P96 T119 I152	P96-S121 WeakPolarHBondContact CA-O 3.46Å; T119-S121 PolarHBondContact O-N 3.13Å; T119-S121 PolarHBondContact O-OG 3.24Å; S121-I152 CarbonylContact C-O 3.44Å; S121-I152 VanDerWaalsContact CA-O 3.24Å; S121-I152 WeakPolarHBondContact CA-O 3.5Å; S121-I152 VanDerWaalsContact CB-O 3.32Å; S121-I152 WeakPolarHBondContact CB-O 3.38Å
122	A	94.9	Very high	93.6	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.008	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142	178.6	0	0	0	0	0	110.9	L93 S94 P96 K151 I152 I154	L93-A122 HydrophobicContact CD1-CB 3.9Å; L93-A122 HydrophobicContact CG-CB 4.27Å; S94-A122 WeakPolarHBondContact O-CB 3.44Å; P96-A122 HydrophobicContact CG-CB 4.35Å; A122-K151 CarbonylContact O-C 3.49Å; A122-K151 VanDerWaalsContact O-CA 3.23Å; A122-K151 WeakPolarHBondContact O-CA 3.35Å; A122-I152 PolarHBondContact N-O 2.95Å; A122-I152 PolarHBondContact O-N 2.95Å; A122-I154 HydrophobicContact CB-CD1 3.92Å; A122-I154 HydrophobicContact CB-CG1 3.55Å
123	P	94.4	Very high	93.3	Very high	3 Å²	3	16 Å²	16	2%	0.019	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	140.7	172.8	26.6	-25.6	0	0	0	111.5	S94 Y125 F148	S94-P123 PolarHBondContact N-O 2.69Å; S94-P123 VanDerWaalsContact N-O 3.14Å; P123-Y125 HydrophobicContact CB-CE2 3.8Å; P123-Y125 HydrophobicContact CG-CE2 3.99Å; P123-F148 HydrophobicContact CB-CD2 4.15Å; P123-F148 HydrophobicContact CB-CE2 3.58Å
124	L	94.3	Very high	92.7	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.8	-179	-168	70.8	0	0	0	109.5	I91 L93 I149 G150 I152 F404	I91-L124 HydrophobicContact CD1-CD1 3.43Å; I91-L124 VanDerWaalsContact CD1-CD1 3.43Å; I91-L124 HydrophobicContact CD1-CD2 3.73Å; I91-L124 HydrophobicContact CD1-CG 3.67Å; I91-L124 HydrophobicContact CG1-CD1 3.68Å; I91-L124 HydrophobicContact CG1-CD2 4.5Å; I91-L124 HydrophobicContact CG1-CG 3.95Å; L93-L124 HydrophobicContact CD1-CD1 3.78Å; L124-I149 PolarHBondContact O-N 3.1Å; L124-G150 WeakPolarHBondContact CB-O 3.22Å; L124-G150 PolarHBondContact N-O 2.95Å; L124-I152 HydrophobicContact CD1-CD1 3.89Å; L124-I152 HydrophobicContact CD2-CD1 3.66Å; L124-I152 HydrophobicContact CD2-CG1 4.13Å; L124-I152 HydrophobicContact CG-CD1 4.26Å; L124-F404 HydrophobicContact CD2-CE2 4.04Å; L124-F404 HydrophobicContact CD2-CZ 4.1Å
125	Y	94.5	Very high	91.5	Very high	62 Å²	62	26.6 Å²	26.6	24%	0.243	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	150.8	178.9	-57.5	-86.9	0	0	0	110.3	I91 Y92 P123 K146 T147 F148	I91-Y125 CarbonylContact C-O 3.51Å; I91-Y125 WeakPolarHBondContact CA-O 3.46Å; I91-Y125 WeakPolarHBondContact CG1-O 3.23Å; Y92-Y125 PolarHBondContact N-O 3.05Å; Y92-Y125 PolarHBondContact O-N 3.48Å; P123-Y125 HydrophobicContact CB-CE2 3.8Å; P123-Y125 HydrophobicContact CG-CE2 3.99Å; Y125-K146 HydrophobicContact CD1-CB 4.46Å; Y125-K146 VanDerWaalsContact CD1-O 3.27Å; Y125-K146 WeakPolarHBondContact CD1-O 3.11Å; Y125-T147 CarbonylContact C-O 3.52Å; Y125-T147 WeakPolarHBondContact CA-O 3.49Å; Y125-F148 HydrophobicContact CD1-CB 3.95Å; Y125-F148 HydrophobicContact CD1-CD2 4.17Å; Y125-F148 HydrophobicContact CE1-CB 3.8Å; Y125-F148 AromaticContact CE1-CD2 3.76Å; Y125-F148 HydrophobicContact CE1-CD2 3.76Å; Y125-F148 HydrophobicContact CE1-CG 4.2Å
126	V	93.9	Very high	90.4	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	147.7	176.5	76.6	0	0	0	0	110.5	V59 F88 Q90 I128 T147 I149	V59-V126 HydrophobicContact CG1-CG2 4.15Å; F88-V126 HydrophobicContact CB-CG2 4.39Å; F88-V126 HydrophobicContact CD1-CG1 3.93Å; F88-V126 HydrophobicContact CD1-CG2 4.48Å; F88-V126 HydrophobicContact CE1-CG1 4.48Å; Q90-V126 WeakPolarHBondContact O-CA 3.49Å; Q90-V126 WeakPolarHBondContact O-CG2 3.07Å; V126-I128 HydrophobicContact CG1-CD1 3.96Å; V126-I128 HydrophobicContact CG1-CG1 3.69Å; V126-T147 PolarHBondContact N-O 3.26Å; V126-T147 WeakPolarHBondContact O-CB 3.04Å; V126-T147 PolarHBondContact O-N 3.34Å; V126-I149 HydrophobicContact CB-CG1 3.95Å; V126-I149 HydrophobicContact CG1-CD1 3.51Å; V126-I149 HydrophobicContact CG1-CG1 3.29Å
127	D	94.1	Very high	89.5	Confident	9 Å²	9	33.8 Å²	33.8	5%	0.048	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	132.7	168.8	-65.6	-20.8	0	0	0	110.2	E89 Q90 Y92 H144 Q145 K146	E89-D127 PolarHBondContact N-O 3.41Å; Q90-D127 PolarHBondContact O-N 3.2Å; Y92-D127 VanDerWaalsContact CE2-CG 3.49Å; Y92-D127 WeakPolarHBondContact CE2-OD1 3.47Å; Y92-D127 WeakPolarHBondContact CE2-OD2 3.44Å; Y92-D127 PolarHBondContact OH-OD2 3.06Å; D127-H144 WeakPolarHBondContact CA-O 3.46Å; D127-Q145 VanDerWaalsContact OD1-CA 3.3Å; D127-Q145 WeakPolarHBondContact OD1-CA 3.38Å; D127-Q145 PolarHBondContact OD1-OE1 3.31Å; D127-Q145 PolarHBondContact OD2-OE1 3.48Å; D127-K146 PolarHBondContact OD1-N 3.45Å
128	I	93.2	Very high	88.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.2	-178	-50.6	175.7	0	0	0	108.8	K87 F88 V126 H144 T147 L431 I435	K87-I128 WeakPolarHBondContact O-CA 3.49Å; F88-I128 HydrophobicContact CD1-CD1 3.95Å; F88-I128 HydrophobicContact CD1-CG1 3.75Å; F88-I128 HydrophobicContact CE1-CD1 3.54Å; F88-I128 HydrophobicContact CE1-CG1 3.87Å; F88-I128 HydrophobicContact CE1-CG2 4.46Å; F88-I128 HydrophobicContact CZ-CD1 4.41Å; V126-I128 HydrophobicContact CG1-CD1 3.96Å; V126-I128 HydrophobicContact CG1-CG1 3.69Å; I128-H144 HydrophobicContact CB-CB 4.44Å; I128-H144 PolarHBondContact N-O 3.45Å; I128-H144 PolarHBondContact O-N 2.87Å; I128-T147 HydrophobicContact CD1-CG2 3.84Å; I128-L431 HydrophobicContact CB-CD1 4.43Å; I128-L431 HydrophobicContact CD1-CD2 3.62Å; I128-L431 HydrophobicContact CG2-CD1 3.78Å; I128-L431 HydrophobicContact CG2-CD2 4.22Å; I128-I435 HydrophobicContact CD1-CD1 3.54Å
129	T	92.9	Very high	88.1	Confident	4 Å²	4	47.3 Å²	47.3	3%	0.025	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.8	172.9	68.4	0	0	0	0	109.1	K87 E89 Q143	K87-T129 PolarHBondContact N-O 3.01Å; K87-T129 PolarHBondContact O-N 3.28Å; E89-T129 HydrophobicContact CG-CG2 4.31Å; E89-T129 WeakPolarHBondContact OE2-CG2 3.38Å; T129-Q143 HydrophobicContact CG2-CG 4.07Å
130	K	91.3	Very high	87.5	Confident	12 Å²	12	51.7 Å²	51.7	5%	0.052	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115	174.4	172	-175.6	177.3	-171.7	0	108.6	L86 V132 Q141 T142 D428 L431	L86-K130 HydrophobicContact CD2-CB 3.65Å; L86-K130 HydrophobicContact CD2-CD 4.3Å; L86-K130 HydrophobicContact CD2-CG 3.7Å; K130-V132 HydrophobicContact CG-CG2 4.32Å; K130-Q141 WeakPolarHBondContact O-CA 3.46Å; K130-T142 PolarHBondContact N-O 3.47Å; K130-T142 PolarHBondContact O-N 3.15Å; K130-T142 PolarHBondContact O-OG1 3.01Å; K130-D428 IonicContact NZ-OD1 3.95Å; K130-D428 PolarHBondContact NZ-OD1 3.01Å; K130-D428 IonicContact NZ-OD2 3.41Å; K130-D428 PolarHBondContact NZ-OD2 3.27Å; K130-L431 HydrophobicContact CB-CD1 4.32Å
131	T	91.1	Very high	87.1	Confident	17 Å²	17	57 Å²	57	10%	0.104	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.6	174.9	-53	0	0	0	0	109.1	L85 I133 Q139	L85-T131 PolarHBondContact N-O 3.12Å; L85-T131 PolarHBondContact O-N 3.04Å; T131-I133 HydrophobicContact CG2-CG1 4.18Å; T131-Q139 HydrophobicContact CG2-CB 4.33Å
132	V	88.3	Confident	86.8	Confident	31 Å²	31	58.9 Å²	58.9	19%	0.188	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125	175.5	-172.4	0	0	0	0	108.5	Y84 K130 L140	Y84-V132 HydrophobicContact CD1-CB 4.36Å; Y84-V132 HydrophobicContact CD1-CG1 3.97Å; Y84-V132 HydrophobicContact CD1-CG2 3.71Å; Y84-V132 HydrophobicContact CE1-CB 4.39Å; Y84-V132 HydrophobicContact CE1-CG1 3.65Å; Y84-V132 HydrophobicContact CE1-CG2 3.84Å; K130-V132 HydrophobicContact CG-CG2 4.32Å; V132-L140 PolarHBondContact N-O 3.44Å; V132-L140 PolarHBondContact O-N 3.18Å; V132-L140 VanDerWaalsContact O-N 3.13Å
133	I	86.7	Confident	86.6	Confident	58 Å²	58	64.3 Å²	64.3	30%	0.297	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	117.1	-179.6	-53.1	175.1	0	0	0	107.4	P82 R83 T131 Q139	P82-I133 CarbonylContact C-O 3.58Å; P82-I133 WeakPolarHBondContact CA-O 3.47Å; R83-I133 HydrophobicContact CB-CB 4.44Å; R83-I133 PolarHBondContact N-O 3.13Å; R83-I133 PolarHBondContact O-N 3.23Å; T131-I133 HydrophobicContact CG2-CG1 4.18Å; I133-Q139 HydrophobicContact CG1-CG 4.15Å
134	K	82.2	Confident	86.3	Confident	103 Å²	103	67.2 Å²	67.2	45%	0.448	35%	0.346	S	S	.	.			trans	-124.7	137.8	177.2	-173.3	-177.7	170.2	-157	0	108.2	P82 G136 E137	P82-K134 HydrophobicContact CB-CB 4.34Å; P82-K134 HydrophobicContact CB-CG 4.42Å; K134-G136 PolarHBondContact O-N 3.18Å; K134-E137 IonicContact NZ-OE1 3.84Å; K134-E137 PolarHBondContact NZ-OE1 3.23Å; K134-E137 IonicContact NZ-OE2 2.79Å; K134-E137 PolarHBondContact O-N 3.03Å
135	E	69.5	Low	86.2	Confident	130 Å²	130	72.3 Å²	72.3	61%	0.607	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	129	178.9	-71.4	-164	129.2	0	0	110.8	E80	E80-E135 HydrophobicContact CB-CG 4.34Å
136	G	70.3	Confident	86.1	Confident	89 Å²	89	75.7 Å²	75.7	92%	0.918	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-3.9	178	0	0	0	0	0	116.6	K134	K134-G136 PolarHBondContact O-N 3.18Å
137	E	73.1	Confident	86.1	Confident	121 Å²	121	75.7 Å²	75.7	57%	0.565	39%	0.385	S	S	*	.	S	Bend	trans	-119.7	154.6	175.9	-76.3	174.9	-152.1	0	0	111.7	K134	K134-E137 IonicContact NZ-OE1 3.84Å; K134-E137 PolarHBondContact NZ-OE1 3.23Å; K134-E137 IonicContact NZ-OE2 2.79Å; K134-E137 PolarHBondContact O-N 3.03Å
138	E	75.3	Confident	86	Confident	187 Å²	187	78.2 Å²	78.2	87%	0.874	40%	0.396	S	S	*	.			trans	-64.3	145.7	173.1	-71.9	-175.3	167.9	0	0	111.3	L140	E138-L140 PolarHBondContact O-N 2.97Å; E138-L140 VanDerWaalsContact O-N 3.13Å
139	Q	81.9	Confident	86	Confident	134 Å²	134	78.3 Å²	78.3	63%	0.626	40%	0.397	S	S	*	.			trans	-63.1	115.9	179.7	-61.1	-176.3	0.5	0	0	110.3	T131 I133 Q141	T131-Q139 HydrophobicContact CG2-CB 4.33Å; I133-Q139 HydrophobicContact CG1-CG 4.15Å; Q139-Q141 PolarHBondContact O-N 3.41Å
140	L	84.1	Confident	86	Confident	108 Å²	108	78.1 Å²	78.1	57%	0.565	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	107.9	-178	-155.5	151.3	0	0	0	109.2	V132 E138 T142	V132-L140 PolarHBondContact N-O 3.44Å; V132-L140 PolarHBondContact O-N 3.18Å; V132-L140 VanDerWaalsContact O-N 3.13Å; E138-L140 PolarHBondContact O-N 2.97Å; E138-L140 VanDerWaalsContact O-N 3.13Å; L140-T142 HydrophobicContact CD2-CG2 3.76Å
141	Q	87.8	Confident	86.1	Confident	112 Å²	112	80.6 Å²	80.6	52%	0.523	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.1	178.7	-167.1	175.8	11.6	0	0	110.3	K130 Q139	K130-Q141 WeakPolarHBondContact O-CA 3.46Å; Q139-Q141 PolarHBondContact O-N 3.41Å
142	T	89	Confident	86.4	Confident	51 Å²	51	80 Å²	80	31%	0.313	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.7	174.7	47.6	0	0	0	0	109.4	K130 L140	K130-T142 PolarHBondContact N-O 3.47Å; K130-T142 PolarHBondContact O-N 3.15Å; K130-T142 PolarHBondContact O-OG1 3.01Å; L140-T142 HydrophobicContact CD2-CG2 3.76Å
143	Q	89.9	Confident	86.8	Confident	115 Å²	115	78.8 Å²	78.8	54%	0.537	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122	177.9	-60.3	-170.4	-21.1	0	0	109.8	T129	T129-Q143 HydrophobicContact CG2-CG 4.07Å
144	H	90.1	Very high	87.3	Confident	65 Å²	65	76 Å²	76	30%	0.301	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	102.2	174	-67.1	-91.2	0	0	0	108.7	D127 I128 T147	D127-H144 WeakPolarHBondContact CA-O 3.46Å; I128-H144 HydrophobicContact CB-CB 4.44Å; I128-H144 PolarHBondContact N-O 3.45Å; I128-H144 PolarHBondContact O-N 2.87Å; H144-T147 PolarHBondContact O-OG1 3.06Å
145	Q	91.4	Very high	88	Confident	108 Å²	108	71.1 Å²	71.1	51%	0.505	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	137	-178.1	-67.3	-72.8	-38.9	0	0	110.7	D127 T147	D127-Q145 VanDerWaalsContact OD1-CA 3.3Å; D127-Q145 WeakPolarHBondContact OD1-CA 3.38Å; D127-Q145 PolarHBondContact OD1-OE1 3.31Å; D127-Q145 PolarHBondContact OD2-OE1 3.48Å; Q145-T147 PolarHBondContact O-N 3.35Å
146	K	91.2	Very high	89.3	Confident	134 Å²	134	65 Å²	65	58%	0.583	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.9	48	175.3	-57.7	-177.1	-179.9	-178.9	0	113.8	Y92 Y125 D127	Y92-K146 HydrophobicContact CD2-CG 4.2Å; Y92-K146 HydrophobicContact CE2-CG 4.33Å; Y125-K146 HydrophobicContact CD1-CB 4.46Å; Y125-K146 VanDerWaalsContact CD1-O 3.27Å; Y125-K146 WeakPolarHBondContact CD1-O 3.11Å; D127-K146 PolarHBondContact OD1-N 3.45Å
147	T	93.9	Very high	90.5	Very high	2 Å²	2	63 Å²	63	1%	0.012	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.4	174.6	-54	0	0	0	0	110	Y125 V126 I128 H144 Q145 I149 E432 I435	Y125-T147 CarbonylContact C-O 3.52Å; Y125-T147 WeakPolarHBondContact CA-O 3.49Å; V126-T147 PolarHBondContact N-O 3.26Å; V126-T147 WeakPolarHBondContact O-CB 3.04Å; V126-T147 PolarHBondContact O-N 3.34Å; I128-T147 HydrophobicContact CD1-CG2 3.84Å; H144-T147 PolarHBondContact O-OG1 3.06Å; Q145-T147 PolarHBondContact O-N 3.35Å; T147-I149 PolarHBondContact O-N 3.23Å; T147-E432 WeakPolarHBondContact CG2-OE1 3.1Å; T147-I435 HydrophobicContact CG2-CD1 3.48Å; T147-I435 VanDerWaalsContact CG2-CD1 3.48Å
148	F	93.6	Very high	91.5	Very high	61 Å²	61	57.3 Å²	57.3	27%	0.268	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	119.7	-177.2	178.3	-115.6	0	0	0	111.8	P123 Y125 G150 K151 T437	P123-F148 HydrophobicContact CB-CD2 4.15Å; P123-F148 HydrophobicContact CB-CE2 3.58Å; Y125-F148 HydrophobicContact CD1-CB 3.95Å; Y125-F148 HydrophobicContact CD1-CD2 4.17Å; Y125-F148 HydrophobicContact CE1-CB 3.8Å; Y125-F148 AromaticContact CE1-CD2 3.76Å; Y125-F148 HydrophobicContact CE1-CD2 3.76Å; Y125-F148 HydrophobicContact CE1-CG 4.2Å; F148-G150 WeakPolarHBondContact CE2-O 3.44Å; F148-K151 HydrophobicContact CE2-CG 4.32Å; F148-K151 HydrophobicContact CZ-CG 3.99Å; F148-T437 HydrophobicContact CD1-CG2 3.62Å; F148-T437 HydrophobicContact CE1-CG2 3.81Å; F148-T437 WeakPolarHBondContact O-CG2 3.25Å
149	I	93.1	Very high	92.4	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-28.8	-175.8	-65.4	-66.7	0	0	0	112.5	F88 L124 V126 T147 L411 I435 T437 I440	F88-I149 HydrophobicContact CE1-CD1 4.48Å; L124-I149 PolarHBondContact O-N 3.1Å; V126-I149 HydrophobicContact CB-CG1 3.95Å; V126-I149 HydrophobicContact CG1-CD1 3.51Å; V126-I149 HydrophobicContact CG1-CG1 3.29Å; T147-I149 PolarHBondContact O-N 3.23Å; I149-L411 HydrophobicContact CD1-CD2 4.37Å; I149-L411 HydrophobicContact CG2-CD2 3.88Å; I149-I435 HydrophobicContact CD1-CD1 3.9Å; I149-I435 HydrophobicContact CD1-CG1 4.45Å; I149-I435 HydrophobicContact CD1-CG2 3.88Å; I149-T437 VanDerWaalsContact O-CA 3.29Å; I149-T437 WeakPolarHBondContact O-CA 3.17Å; I149-I440 HydrophobicContact CG2-CD1 3.5Å
150	G	93.1	Very high	93	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.7	-166.3	-178.7	0	0	0	0	0	112.7	L124 F148	L124-G150 WeakPolarHBondContact CB-O 3.22Å; L124-G150 PolarHBondContact N-O 2.95Å; F148-G150 WeakPolarHBondContact CE2-O 3.44Å
151	K	93.7	Very high	93.5	Very high	64 Å²	64	43.4 Å²	43.4	28%	0.278	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137	177.5	-59.1	-173	179	-174.4	0	110.8	A122 F148	A122-K151 CarbonylContact O-C 3.49Å; A122-K151 VanDerWaalsContact O-CA 3.23Å; A122-K151 WeakPolarHBondContact O-CA 3.35Å; F148-K151 HydrophobicContact CE2-CG 4.32Å; F148-K151 HydrophobicContact CZ-CG 3.99Å
152	I	95.6	Very high	93.9	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.4	174.4	-62.2	-177.1	0	0	0	108.8	I51 S121 A122 L124 I154 F404 L444	I51-I152 HydrophobicContact CD1-CD1 4.27Å; S121-I152 CarbonylContact C-O 3.44Å; S121-I152 VanDerWaalsContact CA-O 3.24Å; S121-I152 WeakPolarHBondContact CA-O 3.5Å; S121-I152 VanDerWaalsContact CB-O 3.32Å; S121-I152 WeakPolarHBondContact CB-O 3.38Å; A122-I152 PolarHBondContact N-O 2.95Å; A122-I152 PolarHBondContact O-N 2.95Å; L124-I152 HydrophobicContact CD1-CD1 3.89Å; L124-I152 HydrophobicContact CD2-CD1 3.66Å; L124-I152 HydrophobicContact CD2-CG1 4.13Å; L124-I152 HydrophobicContact CG-CD1 4.26Å; I152-I154 PolarHBondContact O-N 2.95Å; I152-F404 HydrophobicContact CD1-CD2 4.47Å; I152-F404 HydrophobicContact CD1-CE2 4.18Å; I152-L444 HydrophobicContact CG1-CD1 4.14Å; I152-L444 HydrophobicContact CG2-CD1 4.42Å
153	P	96.5	Very high	94.2	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.032	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	130.7	171.1	-25	37.2	0	0	0	111.6	T119 Y120 F185 L444 L448	T119-P153 HydrophobicContact CG2-CG 4.37Å; Y120-P153 WeakPolarHBondContact O-CA 3.49Å; P153-F185 HydrophobicContact CB-CD1 4.1Å; P153-F185 WeakPolarHBondContact O-CE1 3.32Å; P153-L444 HydrophobicContact CG-CB 4.39Å; P153-L448 HydrophobicContact CB-CD1 4.03Å; P153-L448 HydrophobicContact CG-CD1 3.84Å
154	I	97.2	Very high	94.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-101.1	137.5	-176.8	-62.5	-57.2	0	0	0	110.3	F47 L93 P96 Y120 A122 I152 S158	F47-I154 HydrophobicContact CE1-CD1 4.48Å; F47-I154 HydrophobicContact CE1-CG2 4.46Å; F47-I154 HydrophobicContact CZ-CD1 4.1Å; L93-I154 HydrophobicContact CD2-CD1 4.12Å; P96-I154 HydrophobicContact CG-CB 4.26Å; P96-I154 HydrophobicContact CG-CG1 4.11Å; P96-I154 HydrophobicContact CG-CG2 4.48Å; Y120-I154 HydrophobicContact CD1-CB 4.08Å; Y120-I154 WeakPolarHBondContact CD1-O 2.74Å; Y120-I154 HydrophobicContact CE1-CB 3.93Å; Y120-I154 HydrophobicContact CE1-CG2 3.97Å; Y120-I154 PolarHBondContact O-N 3.18Å; A122-I154 HydrophobicContact CB-CD1 3.92Å; A122-I154 HydrophobicContact CB-CG1 3.55Å; I152-I154 PolarHBondContact O-N 2.95Å; I154-S158 WeakPolarHBondContact CG2-OG 3.33Å
155	M	97.3	Very high	94.5	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-75.4	139.5	176.5	-170.4	178.4	-70.6	0	0	110.5	Q43 L44 F47 S158 G183 F185 A396	Q43-M155 HydrophobicContact CB-SD 4.42Å; L44-M155 HydrophobicContact CD2-CG 4.26Å; L44-M155 HydrophobicContact CD2-SD 3.82Å; F47-M155 HydrophobicContact CB-CE 3.75Å; F47-M155 HydrophobicContact CB-SD 3.99Å; F47-M155 HydrophobicContact CD1-CB 3.63Å; F47-M155 HydrophobicContact CD2-CB 4.27Å; F47-M155 HydrophobicContact CD2-CE 4.2Å; F47-M155 HydrophobicContact CE1-CB 3.81Å; F47-M155 HydrophobicContact CE2-CB 4.43Å; F47-M155 HydrophobicContact CG-CB 3.87Å; F47-M155 HydrophobicContact CG-CE 4.02Å; F47-M155 HydrophobicContact CG-SD 4.32Å; F47-M155 HydrophobicContact CZ-CB 4.22Å; M155-S158 WeakPolarHBondContact O-CB 3.41Å; M155-S158 PolarHBondContact O-N 3.41Å; M155-S158 PolarHBondContact O-OG 3.24Å; M155-G183 VanDerWaalsContact SD-CA 3.58Å; M155-F185 HydrophobicContact CB-CD1 4.29Å; M155-F185 HydrophobicContact CB-CE1 3.77Å; M155-F185 HydrophobicContact CB-CZ 3.94Å; M155-F185 HydrophobicContact CE-CE1 4.49Å; M155-F185 HydrophobicContact CE-CE2 3.55Å; M155-F185 HydrophobicContact CE-CZ 3.52Å; M155-F185 HydrophobicContact CG-CZ 4.4Å; M155-A396 HydrophobicContact CE-CB 3.82Å
156	L	96.6	Very high	94.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	141.6	177.4	-87.3	72.2	0	0	0	111.2	L44 P110 R114 Y120 S158 L163 G183 Y184 I186	L44-L156 WeakPolarHBondContact CD2-O 3.37Å; P110-L156 HydrophobicContact CB-CD2 3.9Å; P110-L156 HydrophobicContact CB-CG 4.33Å; R114-L156 VanDerWaalsContact NH2-CD2 3.33Å; Y120-L156 HydrophobicContact CD1-CD1 4.04Å; Y120-L156 HydrophobicContact CE1-CD1 4.36Å; L156-S158 PolarHBondContact O-N 3.04Å; L156-L163 HydrophobicContact CD2-CD1 4.5Å; L156-G183 PolarHBondContact O-N 3.13Å; L156-Y184 HydrophobicContact CD1-CE2 4.38Å; L156-Y184 HydrophobicContact CD2-CE2 3.76Å; L156-Y184 VanDerWaalsContact CD2-OH 3.31Å; L156-Y184 WeakPolarHBondContact CD2-OH 3.4Å; L156-Y184 HydrophobicContact CG-CE2 4.48Å; L156-Y184 PolarHBondContact N-O 2.67Å; L156-I186 HydrophobicContact CD1-CD1 3.7Å; L156-I186 HydrophobicContact CD1-CG1 3.82Å; L156-I186 HydrophobicContact CD2-CD1 3.78Å; L156-I186 HydrophobicContact CD2-CG1 4.43Å; L156-I186 HydrophobicContact CG-CD1 4.35Å
157	R	95.1	Very high	94.9	Very high	49 Å²	49	30.9 Å²	30.9	19%	0.185	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	7.9	-173.6	-57.9	-69.6	-161.2	156	15.1	115.5	L44 C161 L163 P178	L44-R157 HydrophobicContact CD1-CB 4.44Å; L44-R157 HydrophobicContact CD2-CB 4.34Å; R157-C161 PolarHBondContact N-SG 3.44Å; R157-L163 PolarHBondContact NH1-O 3.25Å; R157-L163 VanDerWaalsContact NH1-O 3.16Å; R157-P178 PolarHBondContact NH2-O 2.98Å
158	S	95.4	Very high	95	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-68.6	166.6	169.7	62.9	0	0	0	0	112.2	D48 I154 M155 L156 Y160 C161 N164	D48-S158 VanDerWaalsContact OD1-CB 3.28Å; D48-S158 WeakPolarHBondContact OD1-CB 3.23Å; I154-S158 WeakPolarHBondContact CG2-OG 3.33Å; M155-S158 WeakPolarHBondContact O-CB 3.41Å; M155-S158 PolarHBondContact O-N 3.41Å; M155-S158 PolarHBondContact O-OG 3.24Å; L156-S158 PolarHBondContact O-N 3.04Å; S158-Y160 PolarHBondContact O-N 2.98Å; S158-C161 WeakPolarHBondContact O-CB 3.47Å; S158-C161 PolarHBondContact O-N 3.06Å; S158-N164 WeakPolarHBondContact O-CB 3.4Å
159	T	94.4	Very high	95.1	Very high	57 Å²	57	42 Å²	42	35%	0.35	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-37.7	-177.7	-68.1	0	0	0	0	113.3	D48 N164	D48-T159 VanDerWaalsContact CG-OG1 3.25Å; D48-T159 PolarHBondContact OD1-N 3.27Å; D48-T159 WeakPolarHBondContact OD2-CB 3.12Å; D48-T159 PolarHBondContact OD2-N 3.43Å; D48-T159 PolarHBondContact OD2-OG1 3.03Å; T159-N164 WeakPolarHBondContact CA-ND2 3.18Å; T159-N164 PolarHBondContact O-ND2 3.41Å
160	Y	93.3	Very high	95.3	Very high	77 Å²	77	44.4 Å²	44.4	30%	0.302	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3.7	179.2	-72	-85.5	0	0	0	114.4	I51 Q52 L93 S158	I51-Y160 HydrophobicContact CG1-CD2 4.39Å; I51-Y160 HydrophobicContact CG2-CD2 3.6Å; I51-Y160 HydrophobicContact CG2-CE2 3.7Å; Q52-Y160 HydrophobicContact CG-CE2 4.01Å; L93-Y160 HydrophobicContact CD2-CD1 3.96Å; L93-Y160 HydrophobicContact CD2-CD2 4.19Å; L93-Y160 HydrophobicContact CD2-CE1 4.37Å; L93-Y160 HydrophobicContact CD2-CG 3.85Å; S158-Y160 PolarHBondContact O-N 2.98Å
161	C	95.6	Very high	95.4	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.02	23%	0.234	C	C	.	.	S	Bend	trans	-74.2	152.1	175.8	-165.5	0	0	0	0	111.3	Y120 R157 S158 L163 N164	Y120-C161 PolarHBondContact OH-SG 2.87Å; R157-C161 PolarHBondContact N-SG 3.44Å; S158-C161 WeakPolarHBondContact O-CB 3.47Å; S158-C161 PolarHBondContact O-N 3.06Å; C161-L163 PolarHBondContact O-N 3.33Å; C161-N164 PolarHBondContact O-N 3.28Å
162	L	95.3	Very high	95.5	Very high	33 Å²	33	44.8 Å²	44.8	17%	0.173	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.7	171.4	-67.1	174.8	0	0	0	113.2	K95 P107 M108 M109 Y120 N164 L166	K95-L162 HydrophobicContact CB-CD2 4.41Å; K95-L162 HydrophobicContact CD-CD2 3.94Å; P107-L162 HydrophobicContact CB-CD1 4.18Å; M108-L162 WeakPolarHBondContact O-CD1 3.12Å; M109-L162 HydrophobicContact SD-CD1 4.08Å; Y120-L162 PolarHBondContact OH-N 2.96Å; L162-N164 VanDerWaalsContact C-N 3.34Å; L162-L166 WeakPolarHBondContact O-CD1 2.72Å
163	L	95.3	Very high	95.5	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	1.7	-177	-55.1	-177.3	0	0	0	114.2	P110 L156 R157 C161 L166 L171 L174 E176	P110-L163 HydrophobicContact CG-CD1 3.92Å; P110-L163 HydrophobicContact CG-CD2 4.33Å; P110-L163 HydrophobicContact CG-CG 4Å; L156-L163 HydrophobicContact CD2-CD1 4.5Å; R157-L163 PolarHBondContact NH1-O 3.25Å; R157-L163 VanDerWaalsContact NH1-O 3.16Å; C161-L163 PolarHBondContact O-N 3.33Å; L163-L166 HydrophobicContact CD2-CD1 4.15Å; L163-L171 HydrophobicContact CB-CD2 4.34Å; L163-L171 HydrophobicContact CD2-CD2 4.05Å; L163-L174 HydrophobicContact CD2-CD1 4.07Å; L163-E176 HydrophobicContact CD1-CG 4.06Å; L163-E176 HydrophobicContact CD2-CG 4.09Å
164	N	94.8	Very high	95.5	Very high	81 Å²	81	53.5 Å²	53.5	43%	0.433	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	134.4	-179.4	-171.9	26.7	0	0	0	110.6	S158 T159 C161 L162 L166	S158-N164 WeakPolarHBondContact O-CB 3.4Å; T159-N164 WeakPolarHBondContact CA-ND2 3.18Å; T159-N164 PolarHBondContact O-ND2 3.41Å; C161-N164 PolarHBondContact O-N 3.28Å; L162-N164 VanDerWaalsContact C-N 3.34Å; N164-L166 PolarHBondContact O-N 3.31Å
165	G	91.4	Very high	95.4	Very high	75 Å²	75	57.1 Å²	57.1	77%	0.773	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	5.6	179.5	0	0	0	0	0	115.9
166	L	94.8	Very high	95.4	Very high	54 Å²	54	57.5 Å²	57.5	28%	0.283	31%	0.307	S	S	.	.			trans	-75.4	144	175.2	-67.3	-172	0	0	0	111.5	L162 L163 N164 D170 L171 L174	L162-L166 WeakPolarHBondContact O-CD1 2.72Å; L163-L166 HydrophobicContact CD2-CD1 4.15Å; N164-L166 PolarHBondContact O-N 3.31Å; L166-D170 HydrophobicContact CB-CB 4.25Å; L166-D170 HydrophobicContact CD2-CB 4.34Å; L166-L171 HydrophobicContact CB-CD2 4.15Å; L166-L171 HydrophobicContact CB-CG 4.2Å; L166-L171 HydrophobicContact CD1-CD2 4.31Å; L166-L174 HydrophobicContact CD1-CD1 3.6Å
167	T	96.7	Very high	95.3	Very high	77 Å²	77	57.6 Å²	57.6	47%	0.472	31%	0.307	S	S	.	.			trans	-75.8	162.4	176.1	72.6	0	0	0	0	111.4	R169 D170 L171	T167-R169 PolarHBondContact O-N 3.42Å; T167-R169 VanDerWaalsContact O-N 3.13Å; T167-R169 PolarHBondContact OG1-N 2.77Å; T167-D170 WeakPolarHBondContact CB-OD2 3.46Å; T167-D170 PolarHBondContact N-OD2 3Å; T167-D170 VanDerWaalsContact N-OD2 3.13Å; T167-D170 PolarHBondContact O-N 3.05Å; T167-D170 VanDerWaalsContact O-N 3.17Å; T167-D170 PolarHBondContact OG1-N 3.03Å; T167-D170 PolarHBondContact OG1-OD2 3.23Å; T167-L171 VanDerWaalsContact O-CG 3.3Å; T167-L171 WeakPolarHBondContact O-CG 3.44Å; T167-L171 PolarHBondContact O-N 2.74Å
168	D	95.6	Very high	95.4	Very high	107 Å²	107	56.8 Å²	56.8	57%	0.572	31%	0.309	S	S	*	.	H	α-helix	trans	-56.7	-29.8	176.4	-70.6	-10.5	0	0	0	112.9	C172 P178	D168-C172 PolarHBondContact O-N 2.98Å; D168-C172 PolarHBondContact O-SG 3.12Å; D168-P178 HydrophobicContact CB-CB 4.16Å; D168-P178 HydrophobicContact CB-CG 4.11Å
169	R	96.5	Very high	95.4	Very high	188 Å²	188	58.7 Å²	58.7	71%	0.709	32%	0.319	S	S	*	.	H	α-helix	trans	-71	-50.1	177	-173.9	-179.7	-62.7	164.2	3.1	111.4	T167 L171 C172 E173	T167-R169 PolarHBondContact O-N 3.42Å; T167-R169 VanDerWaalsContact O-N 3.13Å; T167-R169 PolarHBondContact OG1-N 2.77Å; R169-L171 PolarHBondContact O-N 3.31Å; R169-C172 WeakPolarHBondContact O-CB 3.32Å; R169-C172 PolarHBondContact O-N 3.46Å; R169-E173 PolarHBondContact O-N 3.45Å
170	D	96.6	Very high	95.4	Very high	54 Å²	54	56.4 Å²	56.4	29%	0.289	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-36.5	-179.5	-50.4	-41	0	0	0	111	L166 T167 C172 E173 L174	L166-D170 HydrophobicContact CB-CB 4.25Å; L166-D170 HydrophobicContact CD2-CB 4.34Å; T167-D170 WeakPolarHBondContact CB-OD2 3.46Å; T167-D170 PolarHBondContact N-OD2 3Å; T167-D170 VanDerWaalsContact N-OD2 3.13Å; T167-D170 PolarHBondContact O-N 3.05Å; T167-D170 VanDerWaalsContact O-N 3.17Å; T167-D170 PolarHBondContact OG1-N 3.03Å; T167-D170 PolarHBondContact OG1-OD2 3.23Å; D170-C172 VanDerWaalsContact C-N 3.34Å; D170-C172 PolarHBondContact O-N 2.87Å; D170-E173 PolarHBondContact O-N 2.91Å; D170-L174 WeakPolarHBondContact O-CG 3.29Å; D170-L174 PolarHBondContact O-N 3.18Å
171	L	96.1	Very high	95.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.1	-42	174.6	-67.4	167.4	0	0	0	112.1	L163 L166 T167 R169 E173 L174 N175 E176	L163-L171 HydrophobicContact CB-CD2 4.34Å; L163-L171 HydrophobicContact CD2-CD2 4.05Å; L166-L171 HydrophobicContact CB-CD2 4.15Å; L166-L171 HydrophobicContact CB-CG 4.2Å; L166-L171 HydrophobicContact CD1-CD2 4.31Å; T167-L171 VanDerWaalsContact O-CG 3.3Å; T167-L171 WeakPolarHBondContact O-CG 3.44Å; T167-L171 PolarHBondContact O-N 2.74Å; R169-L171 PolarHBondContact O-N 3.31Å; L171-E173 VanDerWaalsContact C-N 3.34Å; L171-L174 CarbonylContact O-C 3.54Å; L171-L174 PolarHBondContact O-N 3.01Å; L171-N175 PolarHBondContact O-N 3.48Å; L171-E176 HydrophobicContact CB-CB 4.43Å; L171-E176 HydrophobicContact CD2-CB 4.32Å; L171-E176 WeakPolarHBondContact O-CA 3.24Å; L171-E176 PolarHBondContact O-N 2.81Å
172	C	95.8	Very high	95.4	Very high	73 Å²	73	54 Å²	54	49%	0.493	30%	0.298	S	S	.	.	H	α-helix	trans	-63.5	-40.5	175.8	-66.1	0	0	0	0	111.6	D168 R169 D170 L174 N175	D168-C172 PolarHBondContact O-N 2.98Å; D168-C172 PolarHBondContact O-SG 3.12Å; R169-C172 WeakPolarHBondContact O-CB 3.32Å; R169-C172 PolarHBondContact O-N 3.46Å; D170-C172 VanDerWaalsContact C-N 3.34Å; D170-C172 PolarHBondContact O-N 2.87Å; C172-L174 VanDerWaalsContact C-N 3.27Å; C172-L174 PolarHBondContact O-N 3.41Å; C172-N175 WeakPolarHBondContact O-CA 3.15Å; C172-N175 PolarHBondContact O-N 3.08Å
173	E	96	Very high	95.4	Very high	138 Å²	138	52.4 Å²	52.4	65%	0.645	29%	0.29	S	S	*	.	H	α-helix	trans	-61.5	-36.3	176.2	-68	-179.7	-175.4	0	0	112	R169 D170 L171 N175	R169-E173 PolarHBondContact O-N 3.45Å; D170-E173 PolarHBondContact O-N 2.91Å; L171-E173 VanDerWaalsContact C-N 3.34Å; E173-N175 PolarHBondContact O-N 3.4Å
174	L	95.1	Very high	95.5	Very high	54 Å²	54	52.3 Å²	52.3	28%	0.283	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	4.5	174.2	-63.3	177.5	0	0	0	113.8	M109 L163 L166 D170 L171 C172 E176	M109-L174 HydrophobicContact CE-CD2 4.06Å; M109-L174 HydrophobicContact SD-CD1 4.44Å; M109-L174 HydrophobicContact SD-CD2 3.99Å; L163-L174 HydrophobicContact CD2-CD1 4.07Å; L166-L174 HydrophobicContact CD1-CD1 3.6Å; D170-L174 WeakPolarHBondContact O-CG 3.29Å; D170-L174 PolarHBondContact O-N 3.18Å; L171-L174 CarbonylContact O-C 3.54Å; L171-L174 PolarHBondContact O-N 3.01Å; C172-L174 VanDerWaalsContact C-N 3.27Å; C172-L174 PolarHBondContact O-N 3.41Å; L174-E176 PolarHBondContact O-N 3.21Å
175	N	96	Very high	95.6	Very high	76 Å²	76	48.5 Å²	48.5	41%	0.406	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	29.2	-174	-58.5	-80.8	0	0	0	113.8	L171 C172 E173 N739 V742	L171-N175 PolarHBondContact O-N 3.48Å; C172-N175 WeakPolarHBondContact O-CA 3.15Å; C172-N175 PolarHBondContact O-N 3.08Å; E173-N175 PolarHBondContact O-N 3.4Å; N175-N739 PolarHBondContact O-ND2 2.93Å; N175-V742 HydrophobicContact CB-CG1 4.23Å; N175-V742 HydrophobicContact CB-CG2 4.48Å
176	E	96.2	Very high	95.9	Very high	8 Å²	8	45 Å²	45	4%	0.037	23%	0.232	C	C	.	.			trans	-94.6	162.1	169.4	-67.2	-65.7	160.1	0	0	110.6	N111 R114 L163 L171 L174	N111-E176 WeakPolarHBondContact CB-OE1 3.45Å; N111-E176 PolarHBondContact N-OE1 3.32Å; N111-E176 VanDerWaalsContact N-OE1 3.11Å; R114-E176 IonicContact CZ-OE1 3.31Å; R114-E176 IonicContact CZ-OE2 2.84Å; R114-E176 IonicContact NH1-OE1 3.18Å; R114-E176 PolarHBondContact NH1-OE1 3.21Å; R114-E176 IonicContact NH1-OE2 3.66Å; R114-E176 PolarHBondContact NH1-OE2 3.35Å; R114-E176 VanDerWaalsContact NH1-OE2 3.16Å; R114-E176 IonicContact NH2-OE1 2.77Å; R114-E176 PolarHBondContact NH2-OE1 3.39Å; R114-E176 IonicContact NH2-OE2 3.49Å; R114-E176 PolarHBondContact NH2-OE2 3.36Å; L163-E176 HydrophobicContact CD1-CG 4.06Å; L163-E176 HydrophobicContact CD2-CG 4.09Å; L171-E176 HydrophobicContact CB-CB 4.43Å; L171-E176 HydrophobicContact CD2-CB 4.32Å; L171-E176 WeakPolarHBondContact O-CA 3.24Å; L171-E176 PolarHBondContact O-N 2.81Å; L174-E176 PolarHBondContact O-N 3.21Å
177	C	95.9	Very high	96	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.014	22%	0.219	C	C	.	.			trans	-96.3	128	177	173.8	0	0	0	0	109.8	L179 D180 I737 T738 N739	C177-L179 PolarHBondContact O-N 2.76Å; C177-L179 PolarHBondContact SG-N 3.14Å; C177-L179 VanDerWaalsContact SG-N 3.39Å; C177-D180 HydrophobicContact CB-CB 4.35Å; C177-D180 WeakPolarHBondContact O-CB 3.38Å; C177-D180 PolarHBondContact O-N 3.01Å; C177-I737 HydrophobicContact CB-CD1 3.53Å; C177-I737 HydrophobicContact CB-CG1 3.43Å; C177-I737 VanDerWaalsContact CB-CG1 3.43Å; C177-I737 WeakPolarHBondContact SG-CD1 2.95Å; C177-T738 PolarHBondContact SG-OG1 3.01Å; C177-N739 PolarHBondContact N-ND2 3.12Å
178	P	96.2	Very high	95.8	Very high	33 Å²	33	41.6 Å²	41.6	21%	0.214	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-41.8	173.8	-30.9	38.1	0	0	0	113.1	R157 D168 D180	R157-P178 PolarHBondContact NH2-O 2.98Å; D168-P178 HydrophobicContact CB-CB 4.16Å; D168-P178 HydrophobicContact CB-CG 4.11Å; P178-D180 VanDerWaalsContact C-N 3.26Å; P178-D180 PolarHBondContact O-N 2.98Å
179	L	95.4	Very high	95.7	Very high	40 Å²	40	37.2 Å²	37.2	21%	0.209	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-5.7	-178.4	-51.5	177.7	0	0	0	114.7	C177 P181 F475 T738 R768 E771 L772	C177-L179 PolarHBondContact O-N 2.76Å; C177-L179 PolarHBondContact SG-N 3.14Å; C177-L179 VanDerWaalsContact SG-N 3.39Å; L179-P181 VanDerWaalsContact O-CD 3.26Å; L179-P181 WeakPolarHBondContact O-CD 3.47Å; L179-F475 HydrophobicContact CB-CE2 4.32Å; L179-F475 HydrophobicContact CB-CZ 4.4Å; L179-F475 VanDerWaalsContact O-CE2 3.24Å; L179-F475 WeakPolarHBondContact O-CE2 3.44Å; L179-F475 WeakPolarHBondContact O-CZ 3.41Å; L179-T738 HydrophobicContact CD1-CG2 4.49Å; L179-R768 HydrophobicContact CD2-CG 4.43Å; L179-E771 HydrophobicContact CD1-CB 4.35Å; L179-E771 WeakPolarHBondContact CD1-OE2 3.47Å; L179-E771 WeakPolarHBondContact CD2-OE2 3.18Å; L179-L772 HydrophobicContact CB-CD1 4.47Å; L179-L772 HydrophobicContact CD1-CD1 3.63Å; L179-L772 HydrophobicContact CD1-CD2 4.46Å; L179-L772 HydrophobicContact CD1-CG 3.78Å
180	D	95.6	Very high	95.5	Very high	9 Å²	9	30.2 Å²	30.2	5%	0.048	17%	0.172	C	C	.	.			trans	-71.6	116.1	178.3	-164.6	38.3	0	0	0	109.7	C177 P178 G182 Y184 R472 I737	C177-D180 HydrophobicContact CB-CB 4.35Å; C177-D180 WeakPolarHBondContact O-CB 3.38Å; C177-D180 PolarHBondContact O-N 3.01Å; P178-D180 VanDerWaalsContact C-N 3.26Å; P178-D180 PolarHBondContact O-N 2.98Å; D180-G182 PolarHBondContact O-N 3.11Å; D180-Y184 WeakPolarHBondContact OD2-CE1 3.47Å; D180-Y184 PolarHBondContact OD2-OH 3.34Å; D180-R472 IonicContact OD1-CZ 3.56Å; D180-R472 IonicContact OD1-NH1 3.48Å; D180-R472 PolarHBondContact OD1-NH1 3.31Å; D180-R472 IonicContact OD1-NH2 2.72Å; D180-R472 PolarHBondContact OD1-NH2 3.43Å; D180-R472 IonicContact OD2-NH2 2.93Å; D180-I737 HydrophobicContact CB-CD1 4.07Å
181	P	93.6	Very high	95.5	Very high	28 Å²	28	28.2 Å²	28.2	18%	0.182	16%	0.161	C	C	.	.			trans	-73.9	-13.1	-171.8	32	-38.7	0	0	0	113.2	V40 L179 L479 L482	V40-P181 HydrophobicContact CG1-CB 4.01Å; V40-P181 HydrophobicContact CG1-CG 4.31Å; V40-P181 HydrophobicContact CG2-CB 3.77Å; V40-P181 VanDerWaalsContact CG2-O 3.24Å; V40-P181 WeakPolarHBondContact CG2-O 3.4Å; L179-P181 VanDerWaalsContact O-CD 3.26Å; L179-P181 WeakPolarHBondContact O-CD 3.47Å; P181-L479 HydrophobicContact CB-CD2 4.27Å; P181-L479 HydrophobicContact CG-CD2 3.91Å; P181-L482 HydrophobicContact CG-CD1 3.87Å
182	G	94.9	Very high	95.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.			trans	73.9	-151.9	-170.3	0	0	0	0	0	112.3	D180 Y184 L482	D180-G182 PolarHBondContact O-N 3.11Å; G182-Y184 WeakPolarHBondContact O-CD1 3.44Å; G182-L482 WeakPolarHBondContact O-CD1 3.18Å
183	G	95	Very high	95.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	14%	0.142	C	C	.	.			trans	83.5	17.6	178.2	0	0	0	0	0	115	M155 L156 L482	M155-G183 VanDerWaalsContact SD-CA 3.58Å; L156-G183 PolarHBondContact O-N 3.13Å; G183-L482 WeakPolarHBondContact O-CD2 3.48Å
184	Y	97.3	Very high	95.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.			trans	-141.5	165.8	179.8	65.4	-90.9	0	0	0	111.5	R114 L156 D180 G182 I186 E191 K192 L470 R472	R114-Y184 PolarHBondContact NH2-OH 3.48Å; L156-Y184 HydrophobicContact CD1-CE2 4.38Å; L156-Y184 HydrophobicContact CD2-CE2 3.76Å; L156-Y184 VanDerWaalsContact CD2-OH 3.31Å; L156-Y184 WeakPolarHBondContact CD2-OH 3.4Å; L156-Y184 HydrophobicContact CG-CE2 4.48Å; L156-Y184 PolarHBondContact N-O 2.67Å; D180-Y184 WeakPolarHBondContact OD2-CE1 3.47Å; D180-Y184 PolarHBondContact OD2-OH 3.34Å; G182-Y184 WeakPolarHBondContact O-CD1 3.44Å; Y184-I186 HydrophobicContact CE2-CG1 4.17Å; Y184-E191 HydrophobicContact CD2-CB 3.95Å; Y184-E191 HydrophobicContact CD2-CG 3.82Å; Y184-E191 HydrophobicContact CE2-CB 4.3Å; Y184-E191 HydrophobicContact CE2-CG 3.67Å; Y184-E191 VanDerWaalsContact CE2-OE1 3.26Å; Y184-E191 WeakPolarHBondContact CE2-OE1 3.43Å; Y184-K192 WeakPolarHBondContact CA-O 3.13Å; Y184-K192 WeakPolarHBondContact CB-O 3.42Å; Y184-L470 HydrophobicContact CD1-CD2 3.99Å; Y184-L470 HydrophobicContact CD2-CD2 4.5Å; Y184-L470 HydrophobicContact CE1-CD2 4.35Å; Y184-L470 HydrophobicContact CG-CD2 4.1Å; Y184-R472 PolarHBondContact OH-NH2 3.23Å
185	F	97.8	Very high	95.5	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.009	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.8	179.9	-60.1	-87.9	0	0	0	111.2	F47 P153 M155 I187 E191 K192 L194 L400	F47-F185 HydrophobicContact CD2-CE1 4.16Å; F47-F185 AromaticContact CD2-CZ 3.83Å; F47-F185 HydrophobicContact CD2-CZ 3.83Å; F47-F185 AromaticContact CE2-CE1 3.69Å; F47-F185 HydrophobicContact CE2-CE1 3.69Å; F47-F185 AromaticContact CE2-CZ 3.81Å; F47-F185 HydrophobicContact CE2-CZ 3.81Å; F47-F185 HydrophobicContact CZ-CE1 4.14Å; P153-F185 HydrophobicContact CB-CD1 4.1Å; P153-F185 WeakPolarHBondContact O-CE1 3.32Å; M155-F185 HydrophobicContact CB-CD1 4.29Å; M155-F185 HydrophobicContact CB-CE1 3.77Å; M155-F185 HydrophobicContact CB-CZ 3.94Å; M155-F185 HydrophobicContact CE-CE1 4.49Å; M155-F185 HydrophobicContact CE-CE2 3.55Å; M155-F185 HydrophobicContact CE-CZ 3.52Å; M155-F185 HydrophobicContact CG-CZ 4.4Å; F185-I187 HydrophobicContact CB-CD1 4.15Å; F185-I187 HydrophobicContact CB-CG1 4.08Å; F185-E191 CarbonylContact O-C 3.56Å; F185-E191 VanDerWaalsContact O-CA 3.29Å; F185-E191 WeakPolarHBondContact O-CA 3.39Å; F185-K192 HydrophobicContact CB-CB 4.48Å; F185-K192 PolarHBondContact N-O 3.34Å; F185-K192 PolarHBondContact O-N 2.81Å; F185-L194 HydrophobicContact CD2-CG 4.47Å; F185-L194 HydrophobicContact CE2-CD1 3.84Å; F185-L194 HydrophobicContact CE2-CG 3.99Å; F185-L194 HydrophobicContact CZ-CD1 4.49Å; F185-L400 HydrophobicContact CZ-CD1 3.99Å
186	I	97.4	Very high	95.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113.5	169.6	-60.4	165.9	0	0	0	108.8	P110 A113 R114 T119 Y120 L156 Y184 E191	P110-I186 HydrophobicContact CB-CD1 3.84Å; A113-I186 HydrophobicContact CB-CG2 4.15Å; R114-I186 HydrophobicContact CG-CD1 3.62Å; R114-I186 HydrophobicContact CG-CG1 4.16Å; R114-I186 HydrophobicContact CG-CG2 4.06Å; T119-I186 WeakPolarHBondContact CA-O 3.3Å; Y120-I186 PolarHBondContact N-O 3.15Å; L156-I186 HydrophobicContact CD1-CD1 3.7Å; L156-I186 HydrophobicContact CD1-CG1 3.82Å; L156-I186 HydrophobicContact CD2-CD1 3.78Å; L156-I186 HydrophobicContact CD2-CG1 4.43Å; L156-I186 HydrophobicContact CG-CD1 4.35Å; Y184-I186 HydrophobicContact CE2-CG1 4.17Å; I186-E191 HydrophobicContact CG1-CG 4.45Å
187	I	96.2	Very high	95.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	122.5	-176.3	-52.3	-177	0	0	0	109	T119 F185 G189 S190 K192 K445 L448 A449	T119-I187 HydrophobicContact CG2-CB 4.45Å; T119-I187 HydrophobicContact CG2-CG1 4.3Å; T119-I187 HydrophobicContact CG2-CG2 4.21Å; F185-I187 HydrophobicContact CB-CD1 4.15Å; F185-I187 HydrophobicContact CB-CG1 4.08Å; I187-G189 PolarHBondContact O-N 2.99Å; I187-S190 PolarHBondContact N-O 3.45Å; I187-S190 PolarHBondContact O-N 2.78Å; I187-S190 PolarHBondContact O-OG 2.7Å; I187-K192 HydrophobicContact CB-CG 4.32Å; I187-K192 HydrophobicContact CD1-CB 4.43Å; I187-K192 HydrophobicContact CD1-CG 4.26Å; I187-K192 HydrophobicContact CG1-CG 4.4Å; I187-K445 HydrophobicContact CG2-CG 3.93Å; I187-L448 HydrophobicContact CD1-CB 3.14Å; I187-L448 HydrophobicContact CD1-CD1 3.58Å; I187-L448 HydrophobicContact CD1-CG 3.95Å; I187-A449 HydrophobicContact CG2-CB 4.24Å
188	N	93.8	Very high	95.2	Very high	60 Å²	60	13.6 Å²	13.6	32%	0.321	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	38.6	-171.4	-59.8	-41.9	0	0	0	112.6	N117 L118 T119 S190 K445	N117-N188 CarbonylContact O-C 3.43Å; N117-N188 VanDerWaalsContact O-CA 3.31Å; N117-N188 WeakPolarHBondContact O-CA 3.5Å; L118-N188 PolarHBondContact O-N 3.26Å; T119-N188 PolarHBondContact OG1-N 3.12Å; N188-S190 PolarHBondContact O-N 2.68Å; N188-S190 VanDerWaalsContact O-N 3.16Å; N188-K445 WeakPolarHBondContact OD1-CE 3.42Å; N188-K445 PolarHBondContact OD1-NZ 3.12Å; N188-K445 VanDerWaalsContact OD1-NZ 3.09Å
189	G	91.9	Very high	95	Very high	16 Å²	16	15.6 Å²	15.6	17%	0.165	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	5.6	-173.6	0	0	0	0	0	116.2	A113 L118 I187	A113-G189 WeakPolarHBondContact O-CA 3.32Å; L118-G189 PolarHBondContact O-N 3.49Å; I187-G189 PolarHBondContact O-N 2.99Å
190	S	93.8	Very high	94.8	Very high	40 Å²	40	14.9 Å²	14.9	28%	0.28	8%	0.082	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	143.5	176.7	68.9	0	0	0	0	111	I187 N188 K192	I187-S190 PolarHBondContact N-O 3.45Å; I187-S190 PolarHBondContact O-N 2.78Å; I187-S190 PolarHBondContact O-OG 2.7Å; N188-S190 PolarHBondContact O-N 2.68Å; N188-S190 VanDerWaalsContact O-N 3.16Å; S190-K192 WeakPolarHBondContact OG-CE 3.48Å
191	E	95.8	Very high	94.6	Very high	12 Å²	12	14.5 Å²	14.5	6%	0.056	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.8	-179.6	-65.8	171.9	150.1	0	0	111.5	R114 Y184 F185 I186 V469 L470 R472 R743	R114-E191 IonicContact NE-OE1 3.86Å; R114-E191 PolarHBondContact NE-OE1 3.02Å; Y184-E191 HydrophobicContact CD2-CB 3.95Å; Y184-E191 HydrophobicContact CD2-CG 3.82Å; Y184-E191 HydrophobicContact CE2-CB 4.3Å; Y184-E191 HydrophobicContact CE2-CG 3.67Å; Y184-E191 VanDerWaalsContact CE2-OE1 3.26Å; Y184-E191 WeakPolarHBondContact CE2-OE1 3.43Å; F185-E191 CarbonylContact O-C 3.56Å; F185-E191 VanDerWaalsContact O-CA 3.29Å; F185-E191 WeakPolarHBondContact O-CA 3.39Å; I186-E191 HydrophobicContact CG1-CG 4.45Å; E191-V469 WeakPolarHBondContact O-CA 3.43Å; E191-L470 HydrophobicContact CB-CB 3.84Å; E191-L470 HydrophobicContact CB-CD2 4.37Å; E191-L470 PolarHBondContact O-N 2.82Å; E191-L470 VanDerWaalsContact O-N 3.12Å; E191-R472 IonicContact OE1-CZ 3.99Å; E191-R472 IonicContact OE1-NE 3.88Å; E191-R472 PolarHBondContact OE1-NE 2.73Å; E191-R472 VanDerWaalsContact OE1-NE 3.09Å; E191-R472 IonicContact OE1-NH2 2.98Å; E191-R472 PolarHBondContact OE1-NH2 3.25Å; E191-R472 WeakPolarHBondContact OE2-CD 3.49Å; E191-R472 IonicContact OE2-CZ 2.87Å; E191-R472 IonicContact OE2-NE 3.16Å; E191-R472 PolarHBondContact OE2-NE 2.79Å; E191-R472 IonicContact OE2-NH2 3.27Å; E191-R743 IonicContact OE1-CZ 3.92Å; E191-R743 IonicContact OE1-NH1 2.77Å; E191-R743 PolarHBondContact OE1-NH1 2.95Å; E191-R743 IonicContact OE1-NH2 3.2Å; E191-R743 PolarHBondContact OE1-NH2 2.92Å; E191-R743 IonicContact OE2-CZ 2.97Å; E191-R743 IonicContact OE2-NH1 3.99Å; E191-R743 IonicContact OE2-NH2 3.55Å; E191-R743 PolarHBondContact OE2-NH2 3.48Å
192	K	96.4	Very high	94.6	Very high	23 Å²	23	14.2 Å²	14.2	10%	0.1	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.1	-175.5	-60.3	-65.6	174.3	164.6	0	109.8	Y184 F185 I187 S190 A449 Q468 V469	Y184-K192 WeakPolarHBondContact CA-O 3.13Å; Y184-K192 WeakPolarHBondContact CB-O 3.42Å; F185-K192 HydrophobicContact CB-CB 4.48Å; F185-K192 PolarHBondContact N-O 3.34Å; F185-K192 PolarHBondContact O-N 2.81Å; I187-K192 HydrophobicContact CB-CG 4.32Å; I187-K192 HydrophobicContact CD1-CB 4.43Å; I187-K192 HydrophobicContact CD1-CG 4.26Å; I187-K192 HydrophobicContact CG1-CG 4.4Å; S190-K192 WeakPolarHBondContact OG-CE 3.48Å; K192-A449 PolarHBondContact NZ-O 2.96Å; K192-Q468 WeakPolarHBondContact CA-O 3.46Å; K192-V469 HydrophobicContact CD-CG2 4.25Å; K192-V469 VanDerWaalsContact NZ-CG2 3.35Å
193	V	96.5	Very high	94.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.7	178.2	178.3	0	0	0	0	108.8	I195 S467 Q468 L470 L482	V193-I195 HydrophobicContact CG1-CD1 4Å; V193-S467 WeakPolarHBondContact O-CA 3.37Å; V193-Q468 PolarHBondContact N-O 3.45Å; V193-Q468 PolarHBondContact O-N 3.39Å; V193-L470 HydrophobicContact CG2-CB 3.83Å; V193-L470 HydrophobicContact CG2-CD1 3.5Å; V193-L470 VanDerWaalsContact CG2-CD1 3.5Å; V193-L470 HydrophobicContact CG2-CG 4.14Å; V193-L482 HydrophobicContact CB-CD2 4.43Å; V193-L482 HydrophobicContact CG1-CD2 3.81Å; V193-L482 HydrophobicContact CG2-CD2 3.69Å
194	L	95.8	Very high	94.4	Very high	3 Å²	3	15.8 Å²	15.8	2%	0.016	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.2	170.7	-59.4	-174.2	0	0	0	110	Q43 F185 A396 L400 L448 W453	Q43-L194 PolarHBondContact NE2-O 2.85Å; Q43-L194 VanDerWaalsContact NE2-O 3.13Å; F185-L194 HydrophobicContact CD2-CG 4.47Å; F185-L194 HydrophobicContact CE2-CD1 3.84Å; F185-L194 HydrophobicContact CE2-CG 3.99Å; F185-L194 HydrophobicContact CZ-CD1 4.49Å; L194-A396 HydrophobicContact CB-CB 4.47Å; L194-A396 HydrophobicContact CD1-CB 3.95Å; L194-L400 HydrophobicContact CD1-CD1 4.29Å; L194-L400 HydrophobicContact CD1-CD2 4.37Å; L194-L400 HydrophobicContact CD1-CG 4.12Å; L194-L448 HydrophobicContact CD1-CD2 4.2Å; L194-L448 HydrophobicContact CD2-CD2 3.67Å; L194-L448 HydrophobicContact CG-CD2 4.35Å; L194-W453 HydrophobicContact CD1-CH2 3.75Å; L194-W453 HydrophobicContact CD1-CZ2 4.26Å; L194-W453 HydrophobicContact CD2-CH2 3.29Å; L194-W453 HydrophobicContact CD2-CZ2 4.39Å; L194-W453 HydrophobicContact CD2-CZ3 3.53Å; L194-W453 HydrophobicContact CG-CH2 4.15Å
195	I	95.3	Very high	94.3	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-89.5	129.1	178.2	-51	-56.4	0	0	0	108.1	V193 Q197 V466 Q468 R484 N486	V193-I195 HydrophobicContact CG1-CD1 4Å; I195-Q197 PolarHBondContact O-N 3.42Å; I195-Q197 PolarHBondContact O-NE2 2.88Å; I195-V466 PolarHBondContact N-O 3.11Å; I195-Q468 HydrophobicContact CG1-CB 4.45Å; I195-Q468 HydrophobicContact CG1-CG 4.02Å; I195-R484 HydrophobicContact CD1-CB 4.24Å; I195-R484 HydrophobicContact CG2-CB 4.14Å; I195-R484 HydrophobicContact CG2-CG 3.93Å; I195-R484 WeakPolarHBondContact CG2-O 3.34Å; I195-N486 HydrophobicContact CG2-CB 3.86Å
196	A	95	Very high	94.2	Very high	2 Å²	2	16.2 Å²	16.2	2%	0.017	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	136.6	178.5	0	0	0	0	0	110.7	D394 L395 R484 L485 N486	A196-D394 WeakPolarHBondContact CA-O 3.24Å; A196-L395 HydrophobicContact CB-CD2 3.69Å; A196-R484 PolarHBondContact N-O 3.24Å; A196-L485 HydrophobicContact CB-CD2 3.56Å; A196-N486 PolarHBondContact O-N 2.94Å
197	Q	93.5	Very high	94.1	Very high	6 Å²	6	16.3 Å²	16.3	3%	0.028	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.7	-179.9	-58.8	-58.1	-55.6	0	0	110.5	I195 D394 L399 V466 N486	I195-Q197 PolarHBondContact O-N 3.42Å; I195-Q197 PolarHBondContact O-NE2 2.88Å; Q197-D394 HydrophobicContact CB-CB 4.42Å; Q197-D394 PolarHBondContact N-O 2.99Å; Q197-D394 PolarHBondContact O-N 3.14Å; Q197-L399 HydrophobicContact CG-CD1 4.34Å; Q197-L399 HydrophobicContact CG-CD2 4.26Å; Q197-V466 HydrophobicContact CG-CG2 4.35Å; Q197-N486 PolarHBondContact OE1-ND2 3.44Å
198	E	92.8	Very high	94	Very high	10 Å²	10	17.3 Å²	17.3	5%	0.047	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.3	172.4	-58.2	-178.8	174.2	0	0	110	Y388 L393 N486 S487 P488 K524	E198-Y388 WeakPolarHBondContact OE1-CE2 3.48Å; E198-Y388 PolarHBondContact OE1-OH 3.4Å; E198-L393 HydrophobicContact CB-CD2 4.4Å; E198-L393 HydrophobicContact CG-CD2 3.7Å; E198-N486 PolarHBondContact N-O 2.8Å; E198-S487 WeakPolarHBondContact OE2-CB 3.37Å; E198-S487 PolarHBondContact OE2-OG 2.64Å; E198-P488 WeakPolarHBondContact O-CD 2.91Å; E198-P488 WeakPolarHBondContact O-CG 3.46Å; E198-K524 WeakPolarHBondContact OE1-CD 3.3Å; E198-K524 WeakPolarHBondContact OE1-CE 3.47Å; E198-K524 IonicContact OE1-NZ 2.79Å; E198-K524 PolarHBondContact OE1-NZ 2.81Å; E198-K524 IonicContact OE2-NZ 3.93Å; E198-K524 PolarHBondContact OE2-NZ 2.81Å
199	K	90.4	Very high	94	Very high	74 Å²	74	17 Å²	17	32%	0.322	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	161.9	169.1	65.1	168.8	-177.5	-157	0	110.4	K391 R392 D394	K199-K391 CarbonylContact O-C 3.34Å; K199-K391 WeakPolarHBondContact O-CA 3.36Å; K199-K391 WeakPolarHBondContact O-CB 3.42Å; K199-R392 HydrophobicContact CG-CB 4.12Å; K199-R392 PolarHBondContact N-O 3.48Å; K199-R392 PolarHBondContact O-N 3.34Å; K199-D394 WeakPolarHBondContact CD-OD2 3.47Å; K199-D394 WeakPolarHBondContact CE-OD1 3.38Å; K199-D394 IonicContact NZ-OD1 3.02Å; K199-D394 PolarHBondContact NZ-OD1 2.99Å; K199-D394 IonicContact NZ-OD2 3.41Å
200	M	91.6	Very high	93.8	Very high	25 Å²	25	20.2 Å²	20.2	12%	0.123	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	139.8	166.4	-169.5	59.7	65.4	0	0	109	Y206 R385 N390	M200-Y206 HydrophobicContact CG-CD2 4.3Å; M200-Y206 HydrophobicContact CG-CE2 3.69Å; M200-Y206 HydrophobicContact SD-CD2 4.29Å; M200-Y206 HydrophobicContact SD-CE2 3.67Å; M200-R385 HydrophobicContact CE-CG 3.68Å; M200-N390 HydrophobicContact SD-CB 4.26Å
201	A	92.7	Very high	93.2	Very high	1 Å²	1	27 Å²	27	1%	0.008	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-61.4	150.8	173.7	0	0	0	0	0	110.5	N390 R392	A201-N390 WeakPolarHBondContact CB-O 3.46Å; A201-N390 PolarHBondContact N-O 3.48Å; A201-R392 HydrophobicContact CB-CG 3.9Å
202	T	92.5	Very high	92.6	Very high	23 Å²	23	33.9 Å²	33.9	14%	0.141	17%	0.171	C	C	.	.	S	Bend	trans	-98.9	164.4	-179.7	46.2	0	0	0	0	110.6	T204 R222 C224 T232	T202-T204 PolarHBondContact O-N 2.97Å; T202-R222 CarbonylContact C-O 3.6Å; T202-R222 VanDerWaalsContact CA-O 3.25Å; T202-R222 WeakPolarHBondContact CA-O 3.32Å; T202-R222 WeakPolarHBondContact CB-O 3.38Å; T202-C224 HydrophobicContact CG2-CB 4.04Å; T202-T232 HydrophobicContact CG2-CG2 3.86Å
203	N	93.7	Very high	92.1	Very high	17 Å²	17	35.1 Å²	35.1	9%	0.091	18%	0.183	C	C	.	.	S	Bend	trans	63.6	3.9	174.5	-55.1	-16.4	0	0	0	115.8	R222 S223 C224 H350 N570 G571	N203-R222 PolarHBondContact N-O 3.36Å; N203-S223 WeakPolarHBondContact OD1-CA 3.38Å; N203-C224 PolarHBondContact ND2-O 3.47Å; N203-C224 PolarHBondContact OD1-N 3.34Å; N203-C224 PolarHBondContact OD1-O 3.03Å; N203-C224 VanDerWaalsContact OD1-O 3.09Å; N203-H350 HydrophobicContact CB-CB 4.39Å; N203-H350 VanDerWaalsContact CG-CB 3.48Å; N203-H350 WeakPolarHBondContact OD1-CB 3.43Å; N203-N570 WeakPolarHBondContact CB-O 3.43Å; N203-N570 PolarHBondContact ND2-O 2.86Å; N203-G571 WeakPolarHBondContact O-CA 3.34Å
204	T	92.5	Very high	91.7	Very high	17 Å²	17	40.2 Å²	40.2	10%	0.104	21%	0.205	C	C	.	.			trans	-100.9	148	172.6	51.1	0	0	0	0	110.9	T202 Y206 Y615	T202-T204 PolarHBondContact O-N 2.97Å; T204-Y206 WeakPolarHBondContact OG1-CE2 3.41Å; T204-Y206 PolarHBondContact OG1-OH 2.96Å; T204-Y615 HydrophobicContact CG2-CE1 3.98Å; T204-Y615 VanDerWaalsContact CG2-OH 3.29Å; T204-Y615 WeakPolarHBondContact CG2-OH 3.49Å
205	V	94.4	Very high	91.4	Very high	6 Å²	6	40.9 Å²	40.9	4%	0.036	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	135.3	174.1	-175.7	0	0	0	0	108	C221 F364 Y367 M368 R371	V205-C221 HydrophobicContact CG2-CB 4.36Å; V205-F364 HydrophobicContact CG2-CE1 4.08Å; V205-F364 HydrophobicContact CG2-CZ 3.8Å; V205-Y367 HydrophobicContact CG2-CD1 4.24Å; V205-Y367 HydrophobicContact CG2-CE1 4.08Å; V205-M368 HydrophobicContact CG1-CB 4.49Å; V205-M368 HydrophobicContact CG1-CE 4.38Å; V205-M368 HydrophobicContact CG1-CG 4.1Å; V205-M368 HydrophobicContact CG2-CG 3.61Å; V205-R371 PolarHBondContact O-NH1 3.3Å
206	Y	95.5	Very high	91.1	Very high	5 Å²	5	42 Å²	42	2%	0.02	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.2	173.7	-61	-63.9	0	0	0	111.2	M200 T204 F208 G219 E220 D383 N390	M200-Y206 HydrophobicContact CG-CD2 4.3Å; M200-Y206 HydrophobicContact CG-CE2 3.69Å; M200-Y206 HydrophobicContact SD-CD2 4.29Å; M200-Y206 HydrophobicContact SD-CE2 3.67Å; T204-Y206 WeakPolarHBondContact OG1-CE2 3.41Å; T204-Y206 PolarHBondContact OG1-OH 2.96Å; Y206-F208 HydrophobicContact CG-CE2 4.39Å; Y206-F208 HydrophobicContact CG-CZ 4.08Å; Y206-G219 CarbonylContact O-C 3.53Å; Y206-G219 WeakPolarHBondContact O-CA 3.38Å; Y206-E220 HydrophobicContact CD2-CG 4.48Å; Y206-E220 PolarHBondContact N-O 2.95Å; Y206-E220 PolarHBondContact O-N 3.47Å; Y206-D383 WeakPolarHBondContact CA-OD2 3.44Å; Y206-D383 HydrophobicContact CD1-CB 4.09Å; Y206-N390 HydrophobicContact CE1-CB 3.75Å; Y206-N390 VanDerWaalsContact CE1-CG 3.45Å; Y206-N390 WeakPolarHBondContact OH-CA 3.47Å; Y206-N390 WeakPolarHBondContact OH-CB 3.24Å; Y206-N390 PolarHBondContact OH-O 3.38Å
207	V	96.3	Very high	91.1	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.2	177.4	-172.4	0	0	0	0	110.3	T218 R371 L372 A375 L382 D383	V207-T218 CarbonylContact C-O 3.53Å; V207-T218 WeakPolarHBondContact CA-O 3.29Å; V207-R371 HydrophobicContact CG2-CB 4.13Å; V207-L372 HydrophobicContact CG1-CD1 3.83Å; V207-A375 HydrophobicContact CB-CB 4.31Å; V207-A375 HydrophobicContact CG1-CB 3.59Å; V207-L382 HydrophobicContact CG1-CD2 4.21Å; V207-D383 PolarHBondContact N-OD2 2.97Å; V207-D383 PolarHBondContact O-N 3.33Å; V207-D383 VanDerWaalsContact O-N 3.08Å
208	F	94.8	Very high	91.2	Very high	20 Å²	20	44.7 Å²	44.7	9%	0.088	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.6	178.8	-56	-58.8	0	0	0	111	Y206 T218 E220 D383 R385	Y206-F208 HydrophobicContact CG-CE2 4.39Å; Y206-F208 HydrophobicContact CG-CZ 4.08Å; F208-T218 HydrophobicContact CB-CG2 4.22Å; F208-T218 PolarHBondContact N-O 3.23Å; F208-T218 PolarHBondContact O-N 2.89Å; F208-E220 HydrophobicContact CD2-CG 4.13Å; F208-E220 HydrophobicContact CE2-CG 3.77Å; F208-D383 WeakPolarHBondContact CD1-O 3.32Å; F208-D383 HydrophobicContact CE1-CB 4.17Å; F208-D383 VanDerWaalsContact CE1-O 3.25Å; F208-D383 WeakPolarHBondContact CE1-O 3.25Å; F208-R385 HydrophobicContact CE1-CB 4.11Å; F208-R385 HydrophobicContact CZ-CB 4.31Å
209	A	92.6	Very high	91.3	Very high	53 Å²	53	44.2 Å²	44.2	44%	0.438	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	134.2	164.6	0	0	0	0	0	110.3	A216 Y217 L382	A209-A216 WeakPolarHBondContact CA-O 3.4Å; A209-Y217 HydrophobicContact CB-CD1 4.1Å; A209-Y217 HydrophobicContact CB-CE1 4.12Å; A209-L382 HydrophobicContact CB-CD1 3.53Å; A209-L382 HydrophobicContact CB-CD2 4.5Å
210	K	87.1	Confident	91.5	Very high	84 Å²	84	41.3 Å²	41.3	37%	0.365	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-99.6	118.5	175.1	-68.6	-167.2	-174.2	175	0	110	A216 T218	K210-A216 PolarHBondContact N-O 3.34Å; K210-T218 HydrophobicContact CD-CG2 4.35Å; K210-T218 HydrophobicContact CG-CG2 4.19Å
211	K	82.4	Confident	91.7	Very high	183 Å²	183	40.1 Å²	40.1	80%	0.796	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	137.8	168.2	-159.4	-179.7	176.4	179	0	109.4	S213	K211-S213 PolarHBondContact O-N 2.94Å
212	D	82.1	Confident	91.8	Very high	156 Å²	156	43.7 Å²	43.7	83%	0.834	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	37.7	174	-49.2	-40	0	0	0	115
213	S	86.1	Confident	91.7	Very high	50 Å²	50	42.7 Å²	42.7	35%	0.35	21%	0.213	S	C	.	.	S	Bend	trans	-119.8	166.1	176.7	-162	0	0	0	0	112.4	K211 Y215	K211-S213 PolarHBondContact O-N 2.94Å; S213-Y215 PolarHBondContact O-N 3.26Å
214	K	87.9	Confident	91.4	Very high	107 Å²	107	43.4 Å²	43.4	47%	0.465	22%	0.22	S	C	.	.	S	Bend	trans	-64.6	-19	169.6	59.3	167.1	167.1	162.3	0	112.9	L240 A241 E266	K214-L240 WeakPolarHBondContact O-CD2 3.37Å; K214-A241 PolarHBondContact O-N 3.15Å; K214-E266 IonicContact NZ-OE1 3.63Å; K214-E266 PolarHBondContact NZ-OE1 3.47Å; K214-E266 IonicContact NZ-OE2 3Å; K214-E266 PolarHBondContact NZ-OE2 2.85Å
215	Y	89.3	Confident	90.9	Very high	16 Å²	16	45.8 Å²	45.8	6%	0.063	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	141.5	178.5	-49.3	-66.5	0	0	0	110.5	S213 M239 L240 V257 E266	S213-Y215 PolarHBondContact O-N 3.26Å; Y215-M239 CarbonylContact C-O 3.57Å; Y215-M239 VanDerWaalsContact CA-O 3.27Å; Y215-M239 WeakPolarHBondContact CA-O 3.37Å; Y215-M239 WeakPolarHBondContact CB-O 3.27Å; Y215-L240 HydrophobicContact CD1-CD2 3.7Å; Y215-L240 HydrophobicContact CD1-CG 4.2Å; Y215-L240 HydrophobicContact CE1-CD2 3.7Å; Y215-L240 HydrophobicContact CE1-CG 4.29Å; Y215-V257 HydrophobicContact CE1-CG2 3.79Å; Y215-E266 PolarHBondContact OH-OE1 2.93Å; Y215-E266 PolarHBondContact OH-OE2 3.11Å; Y215-E266 VanDerWaalsContact OH-OE2 3.06Å
216	A	90.3	Very high	89.8	Confident	25 Å²	25	48.7 Å²	48.7	21%	0.207	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-51	172.4	0	0	0	0	0	110.6	A209 K210 M239 A241	A209-A216 WeakPolarHBondContact CA-O 3.4Å; K210-A216 PolarHBondContact N-O 3.34Å; A216-M239 PolarHBondContact N-O 3.37Å; A216-A241 HydrophobicContact CB-CB 4.1Å
217	Y	93.8	Very high	88.3	Confident	63 Å²	63	51.3 Å²	51.3	25%	0.247	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.1	-178.3	-58.6	-78.2	0	0	0	111	A209 S238 M239 A376 L382	A209-Y217 HydrophobicContact CB-CD1 4.1Å; A209-Y217 HydrophobicContact CB-CE1 4.12Å; Y217-S238 WeakPolarHBondContact O-CA 3.39Å; Y217-M239 HydrophobicContact CD2-SD 4.17Å; Y217-M239 PolarHBondContact O-N 2.95Å; Y217-A376 HydrophobicContact CD2-CB 3.88Å; Y217-A376 HydrophobicContact CE2-CB 3.9Å; Y217-L382 HydrophobicContact CD1-CD2 4.04Å; Y217-L382 HydrophobicContact CE1-CD2 4.1Å
218	T	95.6	Very high	87	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	127.2	174.2	-155.2	0	0	0	0	108.7	V207 F208 K210 V237 S238	V207-T218 CarbonylContact C-O 3.53Å; V207-T218 WeakPolarHBondContact CA-O 3.29Å; F208-T218 HydrophobicContact CB-CG2 4.22Å; F208-T218 PolarHBondContact N-O 3.23Å; F208-T218 PolarHBondContact O-N 2.89Å; K210-T218 HydrophobicContact CD-CG2 4.35Å; K210-T218 HydrophobicContact CG-CG2 4.19Å; T218-V237 CarbonylContact C-O 3.51Å; T218-V237 WeakPolarHBondContact CA-O 3.43Å; T218-S238 PolarHBondContact OG1-OG 3.44Å
219	G	95.8	Very high	85.4	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	121.4	160.9	0	0	0	0	0	108.7	Y206 W236 V237	Y206-G219 CarbonylContact O-C 3.53Å; Y206-G219 WeakPolarHBondContact O-CA 3.38Å; G219-W236 CarbonylContact O-C 3.49Å; G219-W236 VanDerWaalsContact O-CA 3.31Å; G219-W236 WeakPolarHBondContact O-CA 3.41Å; G219-V237 PolarHBondContact N-O 2.91Å; G219-V237 PolarHBondContact O-N 3.37Å
220	E	95.4	Very high	84.4	Confident	13 Å²	13	55.4 Å²	55.4	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.3	171.1	72.1	173.1	-142.9	0	0	110.8	Y206 F208 R222 W236	Y206-E220 HydrophobicContact CD2-CG 4.48Å; Y206-E220 PolarHBondContact N-O 2.95Å; Y206-E220 PolarHBondContact O-N 3.47Å; F208-E220 HydrophobicContact CD2-CG 4.13Å; F208-E220 HydrophobicContact CE2-CG 3.77Å; E220-R222 IonicContact OE1-CZ 3.09Å; E220-R222 IonicContact OE1-NE 3.56Å; E220-R222 PolarHBondContact OE1-NE 2.85Å; E220-R222 IonicContact OE1-NH2 3.14Å; E220-R222 PolarHBondContact OE1-NH2 2.94Å; E220-W236 PolarHBondContact OE2-NE1 2.9Å
221	C	95.3	Very high	83.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.6	167.6	175.5	0	0	0	0	108.9	V205 T234 I235 M368	V205-C221 HydrophobicContact CG2-CB 4.36Å; C221-T234 WeakPolarHBondContact O-CA 3.41Å; C221-I235 HydrophobicContact CB-CG2 3.93Å; C221-I235 PolarHBondContact N-O 3.28Å; C221-I235 WeakPolarHBondContact O-CG2 3.46Å; C221-I235 PolarHBondContact O-N 2.76Å; C221-M368 HydrophobicContact CB-CE 3.54Å; C221-M368 HydrophobicContact CB-SD 3.94Å
222	R	93.6	Very high	84.1	Confident	76 Å²	76	50.7 Å²	50.7	29%	0.287	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	91.9	177.4	-61.9	-179.2	-166	-169	5.6	108.1	T202 N203 E220 T234	T202-R222 CarbonylContact C-O 3.6Å; T202-R222 VanDerWaalsContact CA-O 3.25Å; T202-R222 WeakPolarHBondContact CA-O 3.32Å; T202-R222 WeakPolarHBondContact CB-O 3.38Å; N203-R222 PolarHBondContact N-O 3.36Å; E220-R222 IonicContact OE1-CZ 3.09Å; E220-R222 IonicContact OE1-NE 3.56Å; E220-R222 PolarHBondContact OE1-NE 2.85Å; E220-R222 IonicContact OE1-NH2 3.14Å; E220-R222 PolarHBondContact OE1-NH2 2.94Å; R222-T234 HydrophobicContact CG-CG2 3.92Å
223	S	90.9	Very high	84.5	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	133.6	-177.4	173	0	0	0	0	111	N203 T232 S233 P349 H350	N203-S223 WeakPolarHBondContact OD1-CA 3.38Å; S223-T232 CarbonylContact O-C 3.42Å; S223-T232 WeakPolarHBondContact O-CA 3.41Å; S223-S233 PolarHBondContact N-O 3.41Å; S223-S233 PolarHBondContact O-N 3.37Å; S223-S233 PolarHBondContact O-OG 2.96Å; S223-S233 VanDerWaalsContact O-OG 3.14Å; S223-P349 WeakPolarHBondContact OG-CD 2.87Å; S223-P349 VanDerWaalsContact OG-N 3.11Å; S223-H350 VanDerWaalsContact CB-ND1 3.32Å; S223-H350 WeakPolarHBondContact CB-ND1 3.39Å; S223-H350 PolarHBondContact OG-N 3.16Å; S223-H350 VanDerWaalsContact OG-N 3.14Å; S223-H350 PolarHBondContact OG-ND1 2.86Å
224	C	87.1	Confident	84.8	Confident	33 Å²	33	42.9 Å²	42.9	22%	0.223	23%	0.229	C	C	.	.			trans	-136.6	125.3	169.6	-163	0	0	0	0	108	T202 N203 T232 H350	T202-C224 HydrophobicContact CG2-CB 4.04Å; N203-C224 PolarHBondContact ND2-O 3.47Å; N203-C224 PolarHBondContact OD1-N 3.34Å; N203-C224 PolarHBondContact OD1-O 3.03Å; N203-C224 VanDerWaalsContact OD1-O 3.09Å; C224-T232 HydrophobicContact CB-CG2 4.18Å; C224-H350 WeakPolarHBondContact O-CB 3.45Å
225	L	83.1	Confident	85.1	Confident	66 Å²	66	37.9 Å²	37.9	35%	0.346	21%	0.208	S	C	.	.			trans	-70.2	133.4	164.7	-178.5	68.1	0	0	0	107.3	N227 S228 P349	L225-N227 PolarHBondContact O-N 3.39Å; L225-S228 WeakPolarHBondContact O-CB 3.35Å; L225-S228 PolarHBondContact O-N 2.86Å; L225-P349 HydrophobicContact CB-CB 4.15Å
226	E	71.2	Confident	85.4	Confident	68 Å²	68	41 Å²	41	32%	0.318	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	136.8	179.1	-156.7	164.7	173.5	0	0	109.6	S228 N570	E226-S228 PolarHBondContact O-N 3.47Å; E226-N570 PolarHBondContact OE2-ND2 2.91Å
227	N	63.7	Low	85.7	Confident	60 Å²	60	39.8 Å²	39.8	32%	0.321	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	-2	179.7	-53.5	-42.4	0	0	0	117.1	L225 R405	L225-N227 PolarHBondContact O-N 3.39Å; N227-R405 PolarHBondContact O-NH2 2.68Å
228	S	68.9	Low	85.8	Confident	25 Å²	25	36.9 Å²	36.9	18%	0.175	20%	0.198	C	C	.	.			trans	-69.3	151.9	-176.7	-167.4	0	0	0	0	113.9	L225 E226 R230	L225-S228 WeakPolarHBondContact O-CB 3.35Å; L225-S228 PolarHBondContact O-N 2.86Å; E226-S228 PolarHBondContact O-N 3.47Å; S228-R230 PolarHBondContact O-N 3.13Å
229	S	61.8	Low	85.6	Confident	75 Å²	75	36.8 Å²	36.8	52%	0.524	20%	0.198	S	C	.	.	S	Bend	trans	-72.2	-5.3	175	67.6	0	0	0	0	115.4	R405	S229-R405 VanDerWaalsContact CA-CD 3.45Å
230	R	70.7	Confident	85.3	Confident	60 Å²	60	38.2 Å²	38.2	23%	0.226	21%	0.205	C	C	.	.	S	Bend	trans	-88.6	137	-171.3	-62.7	176.2	70.2	-151.4	-2.9	109.8	S228 K345 E346	S228-R230 PolarHBondContact O-N 3.13Å; R230-K345 PolarHBondContact NH1-O 3.5Å; R230-K345 PolarHBondContact NH2-O 3.4Å; R230-E346 IonicContact CZ-OE1 3.26Å; R230-E346 IonicContact CZ-OE2 2.81Å; R230-E346 VanDerWaalsContact NH2-CA 3.35Å; R230-E346 IonicContact NH2-OE1 3.09Å; R230-E346 PolarHBondContact NH2-OE1 3.31Å; R230-E346 IonicContact NH2-OE2 2.66Å; R230-E346 PolarHBondContact NH2-OE2 3.26Å
231	P	77.7	Confident	84.8	Confident	95 Å²	95	39.2 Å²	39.2	62%	0.617	22%	0.215	S	C	*	.	P	Polyproline II helix	trans	-62.7	160.8	172.6	30.1	-35	0	0	0	109.8	S233	P231-S233 PolarHBondContact O-N 3.4Å; P231-S233 VanDerWaalsContact O-N 3.09Å
232	T	85.3	Confident	83.7	Confident	74 Å²	74	49.5 Å²	49.5	45%	0.454	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-54.5	118	173.7	56.3	0	0	0	0	110.2	T202 S223 C224	T202-T232 HydrophobicContact CG2-CG2 3.86Å; S223-T232 CarbonylContact O-C 3.42Å; S223-T232 WeakPolarHBondContact O-CA 3.41Å; C224-T232 HydrophobicContact CB-CG2 4.18Å
233	S	90.2	Very high	82.1	Confident	13 Å²	13	49 Å²	49	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.6	174.7	59.4	0	0	0	0	108.9	S223 P231 E346 P349	S223-S233 PolarHBondContact N-O 3.41Å; S223-S233 PolarHBondContact O-N 3.37Å; S223-S233 PolarHBondContact O-OG 2.96Å; S223-S233 VanDerWaalsContact O-OG 3.14Å; P231-S233 PolarHBondContact O-N 3.4Å; P231-S233 VanDerWaalsContact O-N 3.09Å; S233-E346 WeakPolarHBondContact CB-O 3.44Å; S233-E346 PolarHBondContact OG-O 3.02Å; S233-P349 WeakPolarHBondContact OG-CD 3.49Å; S233-P349 VanDerWaalsContact OG-CG 3.24Å; S233-P349 WeakPolarHBondContact OG-CG 3.47Å
234	T	92.9	Very high	80.3	Confident	28 Å²	28	50.6 Å²	50.6	17%	0.172	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.7	178.3	-47.3	0	0	0	0	110.8	C221 R222 W236	C221-T234 WeakPolarHBondContact O-CA 3.41Å; R222-T234 HydrophobicContact CG-CG2 3.92Å; T234-W236 HydrophobicContact CG2-CD2 3.95Å; T234-W236 VanDerWaalsContact CG2-CE2 3.46Å; T234-W236 HydrophobicContact CG2-CE3 4.22Å; T234-W236 HydrophobicContact CG2-CH2 3.68Å; T234-W236 HydrophobicContact CG2-CZ2 3.34Å; T234-W236 HydrophobicContact CG2-CZ3 4.09Å
235	I	94.8	Very high	78.3	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.015	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	139.4	168.2	-180	169.4	0	0	0	108.8	C221 L260 M347 L348 L365 M368	C221-I235 HydrophobicContact CB-CG2 3.93Å; C221-I235 PolarHBondContact N-O 3.28Å; C221-I235 WeakPolarHBondContact O-CG2 3.46Å; C221-I235 PolarHBondContact O-N 2.76Å; I235-L260 HydrophobicContact CD1-CD2 3.74Å; I235-L260 HydrophobicContact CG1-CD2 4.19Å; I235-M347 HydrophobicContact CD1-CE 4.31Å; I235-M347 HydrophobicContact CD1-CG 4.3Å; I235-L348 HydrophobicContact CG2-CD2 3.96Å; I235-L365 HydrophobicContact CD1-CD1 4.22Å; I235-M368 HydrophobicContact CG2-CE 4.04Å; I235-M368 HydrophobicContact CG2-SD 4.15Å
236	W	95.7	Very high	76.5	Confident	81 Å²	81	60.2 Å²	60.2	31%	0.307	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134	172.1	-62.2	-88.2	0	0	0	110.4	G219 E220 T234 A258 T259	G219-W236 CarbonylContact O-C 3.49Å; G219-W236 VanDerWaalsContact O-CA 3.31Å; G219-W236 WeakPolarHBondContact O-CA 3.41Å; E220-W236 PolarHBondContact OE2-NE1 2.9Å; T234-W236 HydrophobicContact CG2-CD2 3.95Å; T234-W236 VanDerWaalsContact CG2-CE2 3.46Å; T234-W236 HydrophobicContact CG2-CE3 4.22Å; T234-W236 HydrophobicContact CG2-CH2 3.68Å; T234-W236 HydrophobicContact CG2-CZ2 3.34Å; T234-W236 HydrophobicContact CG2-CZ3 4.09Å; W236-A258 CarbonylContact O-C 3.54Å; W236-A258 VanDerWaalsContact O-CA 3.28Å; W236-A258 WeakPolarHBondContact O-CA 3.48Å; W236-T259 HydrophobicContact CE3-CG2 4.01Å; W236-T259 HydrophobicContact CZ3-CG2 4.49Å; W236-T259 PolarHBondContact N-O 2.66Å; W236-T259 PolarHBondContact O-N 2.84Å
237	V	96.2	Very high	75.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.8	169.2	-176.9	0	0	0	0	106.6	T218 G219 I256 L365 M368 V369 L372	T218-V237 CarbonylContact C-O 3.51Å; T218-V237 WeakPolarHBondContact CA-O 3.43Å; G219-V237 PolarHBondContact N-O 2.91Å; G219-V237 PolarHBondContact O-N 3.37Å; V237-I256 HydrophobicContact CG1-CG2 3.68Å; V237-L365 HydrophobicContact CG2-CD1 4.23Å; V237-M368 HydrophobicContact CG2-CB 4.35Å; V237-M368 HydrophobicContact CG2-CE 3.88Å; V237-M368 HydrophobicContact CG2-SD 4.49Å; V237-V369 HydrophobicContact CG1-CG2 4.05Å; V237-L372 HydrophobicContact CG1-CD2 3.84Å
238	S	95.1	Very high	74.5	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.007	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.5	-170.1	-56.8	0	0	0	0	111.7	Y217 T218 I256 V257	Y217-S238 WeakPolarHBondContact O-CA 3.39Å; T218-S238 PolarHBondContact OG1-OG 3.44Å; S238-I256 WeakPolarHBondContact O-CA 3.37Å; S238-V257 PolarHBondContact N-O 2.93Å; S238-V257 PolarHBondContact O-N 3.14Å
239	M	92.4	Very high	73.4	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.005	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.7	174.6	-173.5	-177.6	-72.1	0	0	109.7	Y215 A216 Y217 Q254 I256 M300 L372 L373 A376	Y215-M239 CarbonylContact C-O 3.57Å; Y215-M239 VanDerWaalsContact CA-O 3.27Å; Y215-M239 WeakPolarHBondContact CA-O 3.37Å; Y215-M239 WeakPolarHBondContact CB-O 3.27Å; A216-M239 PolarHBondContact N-O 3.37Å; Y217-M239 HydrophobicContact CD2-SD 4.17Å; Y217-M239 PolarHBondContact O-N 2.95Å; M239-Q254 HydrophobicContact CG-CB 4.19Å; M239-Q254 HydrophobicContact SD-CB 4.36Å; M239-I256 HydrophobicContact CE-CD1 4.21Å; M239-I256 HydrophobicContact CE-CG1 4.26Å; M239-M300 HydrophobicContact CE-CG 4.08Å; M239-M300 HydrophobicContact CE-SD 3.6Å; M239-M300 VanDerWaalsContact CE-SD 3.6Å; M239-M300 HydrophobicContact SD-SD 4.36Å; M239-L372 HydrophobicContact CB-CD2 4.26Å; M239-L373 HydrophobicContact CE-CD2 4.02Å; M239-A376 HydrophobicContact CE-CB 3.62Å; M239-A376 HydrophobicContact SD-CB 3.82Å
240	L	89.6	Confident	72.7	Confident	30 Å²	30	74.6 Å²	74.6	16%	0.157	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	139.9	179.1	-78.7	167.8	0	0	0	111.8	K214 Y215 R255	K214-L240 WeakPolarHBondContact O-CD2 3.37Å; Y215-L240 HydrophobicContact CD1-CD2 3.7Å; Y215-L240 HydrophobicContact CD1-CG 4.2Å; Y215-L240 HydrophobicContact CE1-CD2 3.7Å; Y215-L240 HydrophobicContact CE1-CG 4.29Å; L240-R255 HydrophobicContact CD1-CB 4.14Å; L240-R255 PolarHBondContact N-O 3.18Å
241	A	83.8	Confident	72	Confident	33 Å²	33	76.9 Å²	76.9	27%	0.273	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-73.1	144.3	177.6	0	0	0	0	0	111.3	K214 A216 G243	K214-A241 PolarHBondContact O-N 3.15Å; A216-A241 HydrophobicContact CB-CB 4.1Å; A241-G243 PolarHBondContact O-N 3.45Å; A241-G243 VanDerWaalsContact O-N 3.12Å
242	R	73.2	Confident	71.3	Confident	217 Å²	217	77 Å²	77	82%	0.819	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	102.7	176.5	-151.2	170.8	-175.2	168.9	0.5	108.5	Q254	R242-Q254 HydrophobicContact CB-CG 4.39Å
243	G	59.7	Low	70.4	Confident	66 Å²	66	75.9 Å²	75.9	68%	0.68	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	32.4	170	0	0	0	0	0	118.1	A241	A241-G243 PolarHBondContact O-N 3.45Å; A241-G243 VanDerWaalsContact O-N 3.12Å
244	G	53.4	Low	70	Confident	33 Å²	33	77.5 Å²	77.5	34%	0.34	45%	0.449	S	S	.	.			trans	-60.7	159.2	174.9	0	0	0	0	0	114.5	G246 A247	G244-G246 PolarHBondContact O-N 3.27Å; G244-A247 WeakPolarHBondContact O-CB 3.3Å; G244-A247 PolarHBondContact O-N 3.01Å
245	Q	45	Very low	69.8	Low	220 Å²	220	78.7 Å²	78.7	100%	1.028	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	2	-171.5	-77	-177	-15.1	0	0	117.5
246	G	45.8	Very low	69.8	Low	81 Å²	81	78.6 Å²	78.6	84%	0.835	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	1.8	168.5	0	0	0	0	0	114.8	G244 K248	G244-G246 PolarHBondContact O-N 3.27Å; G246-K248 VanDerWaalsContact C-N 3.33Å; G246-K248 PolarHBondContact O-N 3.47Å; G246-K248 VanDerWaalsContact O-N 3.12Å
247	A	48.5	Very low	69.7	Low	51 Å²	51	75 Å²	75	42%	0.421	44%	0.437	S	S	.	.			trans	-88	37.6	-163.8	0	0	0	0	0	115.3	G244 K249	G244-A247 WeakPolarHBondContact O-CB 3.3Å; G244-A247 PolarHBondContact O-N 3.01Å; A247-K249 PolarHBondContact O-N 2.94Å; A247-K249 VanDerWaalsContact O-N 3.11Å
248	K	44.8	Very low	69.7	Low	211 Å²	211	75 Å²	75	92%	0.917	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	10	169.7	-81	-169.4	175.8	-177.9	0	114.1	G246	G246-K248 VanDerWaalsContact C-N 3.33Å; G246-K248 PolarHBondContact O-N 3.47Å; G246-K248 VanDerWaalsContact O-N 3.12Å
249	K	45	Very low	69.7	Low	209 Å²	209	76.8 Å²	76.8	91%	0.909	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.2	8.2	-178.2	-79.1	-166	176.9	-177.7	0	118.2	A247	A247-K249 PolarHBondContact O-N 2.94Å; A247-K249 VanDerWaalsContact O-N 3.11Å
250	S	47.8	Very low	69.7	Low	59 Å²	59	76.9 Å²	76.9	41%	0.413	45%	0.448	S	S	.	.			trans	-113.9	95.9	177.1	-162.3	0	0	0	0	111.7	I252 R255	S250-I252 VanDerWaalsContact C-N 3.28Å; S250-R255 PolarHBondContact OG-NH2 3.27Å
251	A	55.3	Low	69.7	Low	108 Å²	108	76.2 Å²	76.2	89%	0.893	45%	0.446	S	S	*	.			trans	-81.2	-4.4	176.7	0	0	0	0	0	113.5
252	I	61.9	Low	70	Confident	98 Å²	98	81.1 Å²	81.1	50%	0.503	46%	0.458	S	S	.	.	S	Bend	trans	-112.7	100.1	-170.8	-56.5	169.4	0	0	0	109.3	S250 P303	S250-I252 VanDerWaalsContact C-N 3.28Å; I252-P303 HydrophobicContact CG2-CB 4.15Å
253	G	67.1	Low	70.8	Confident	50 Å²	50	71.4 Å²	71.4	52%	0.515	42%	0.422	S	S	.	.			trans	47.6	-173.8	156.2	0	0	0	0	0	120
254	Q	81.5	Confident	72.2	Confident	48 Å²	48	75.8 Å²	75.8	22%	0.224	42%	0.423	C	S	.	.			trans	-90.7	114.3	166.5	-70.5	179.1	-58.2	0	0	107.9	M239 R242	M239-Q254 HydrophobicContact CG-CB 4.19Å; M239-Q254 HydrophobicContact SD-CB 4.36Å; R242-Q254 HydrophobicContact CB-CG 4.39Å
255	R	89.6	Confident	74	Confident	53 Å²	53	79.7 Å²	79.7	20%	0.2	43%	0.432	C	S	.	.			trans	-99.4	148.5	-178.1	-68.8	175.2	-79.6	141.2	1.4	111.2	L240 S250 P303 E307	L240-R255 HydrophobicContact CD1-CB 4.14Å; L240-R255 PolarHBondContact N-O 3.18Å; S250-R255 PolarHBondContact OG-NH2 3.27Å; R255-P303 HydrophobicContact CG-CB 4.22Å; R255-E307 WeakPolarHBondContact CD-OE2 3.39Å; R255-E307 IonicContact CZ-OE1 3.93Å; R255-E307 IonicContact NH1-OE1 3.09Å; R255-E307 PolarHBondContact NH1-OE1 3.39Å
256	I	93.9	Very high	76.2	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.2	-179.7	-55.6	174.6	0	0	0	109.6	V237 S238 M239 I269 S304 V369 L372 L373	V237-I256 HydrophobicContact CG1-CG2 3.68Å; S238-I256 WeakPolarHBondContact O-CA 3.37Å; M239-I256 HydrophobicContact CE-CD1 4.21Å; M239-I256 HydrophobicContact CE-CG1 4.26Å; I256-I269 HydrophobicContact CB-CG2 3.96Å; I256-I269 HydrophobicContact CG2-CB 4.3Å; I256-I269 HydrophobicContact CG2-CG2 3.98Å; I256-I269 PolarHBondContact O-N 3.14Å; I256-S304 PolarHBondContact N-OG 2.95Å; I256-V369 HydrophobicContact CD1-CG1 4.14Å; I256-L372 HydrophobicContact CG2-CD2 4.22Å; I256-L373 HydrophobicContact CD1-CD2 3.89Å
257	V	94.3	Very high	78.5	Confident	6 Å²	6	68.4 Å²	68.4	4%	0.036	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.4	-178.3	-61.1	0	0	0	0	110.9	Y215 S238 E266	Y215-V257 HydrophobicContact CE1-CG2 3.79Å; S238-V257 PolarHBondContact N-O 2.93Å; S238-V257 PolarHBondContact O-N 3.14Å; V257-E266 HydrophobicContact CB-CB 4.05Å; V257-E266 HydrophobicContact CB-CG 4.21Å; V257-E266 HydrophobicContact CG2-CB 3.97Å; V257-E266 HydrophobicContact CG2-CG 4.05Å
258	A	95.5	Very high	80.7	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.8	176.5	0	0	0	0	0	111	W236 L260 E266 V267 V272	W236-A258 CarbonylContact O-C 3.54Å; W236-A258 VanDerWaalsContact O-CA 3.28Å; W236-A258 WeakPolarHBondContact O-CA 3.48Å; A258-L260 HydrophobicContact CB-CD2 4.09Å; A258-E266 WeakPolarHBondContact O-CA 3.43Å; A258-V267 PolarHBondContact N-O 2.75Å; A258-V267 PolarHBondContact O-N 3.47Å; A258-V272 HydrophobicContact CB-CG2 4.36Å
259	T	95.1	Very high	83	Confident	38 Å²	38	56.6 Å²	56.6	23%	0.233	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	106.8	167.2	-54.6	0	0	0	0	108.5	W236	W236-T259 HydrophobicContact CE3-CG2 4.01Å; W236-T259 HydrophobicContact CZ3-CG2 4.49Å; W236-T259 PolarHBondContact N-O 2.66Å; W236-T259 PolarHBondContact O-N 2.84Å
260	L	92.5	Very high	85.4	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.016	26%	0.255	C	S	.	.			trans	-89.1	148	-179.4	-55.3	-174.4	0	0	0	111	I235 A258 I263 V272 L343 M347	I235-L260 HydrophobicContact CD1-CD2 3.74Å; I235-L260 HydrophobicContact CG1-CD2 4.19Å; A258-L260 HydrophobicContact CB-CD2 4.09Å; L260-I263 HydrophobicContact CB-CB 4.22Å; L260-I263 HydrophobicContact CB-CG1 3.87Å; L260-I263 PolarHBondContact O-N 3.13Å; L260-V272 HydrophobicContact CD1-CG2 4.31Å; L260-L343 HydrophobicContact CD1-CD2 4.34Å; L260-M347 HydrophobicContact CD1-CE 3.71Å; L260-M347 HydrophobicContact CD2-CE 3.22Å; L260-M347 HydrophobicContact CG-CE 4.07Å
261	P	89.9	Confident	87.7	Confident	17 Å²	17	44.1 Å²	44.1	11%	0.11	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	141.9	175.1	26.2	-34.1	0	0	0	110.7	I263 E346	P261-I263 PolarHBondContact O-N 2.99Å; P261-I263 VanDerWaalsContact O-N 3.11Å; P261-E346 HydrophobicContact CG-CB 3.94Å; P261-E346 WeakPolarHBondContact CG-O 3.46Å
262	Y	89.2	Confident	89.6	Confident	135 Å²	135	39 Å²	39	53%	0.529	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	9.1	-179.3	-53.5	-81.7	0	0	0	116.7	E346	Y262-E346 HydrophobicContact CD2-CB 4.16Å; Y262-E346 HydrophobicContact CD2-CG 3.81Å; Y262-E346 HydrophobicContact CE2-CB 4.47Å; Y262-E346 HydrophobicContact CE2-CG 4.04Å; Y262-E346 WeakPolarHBondContact CE2-OE2 3.19Å
263	I	91.3	Very high	91.2	Very high	13 Å²	13	34.3 Å²	34.3	7%	0.067	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-105.4	133.7	171.8	-55	-56.7	0	0	0	109.2	L260 P261 Q265 V267 I321 R324 Y338 V342	L260-I263 HydrophobicContact CB-CB 4.22Å; L260-I263 HydrophobicContact CB-CG1 3.87Å; L260-I263 PolarHBondContact O-N 3.13Å; P261-I263 PolarHBondContact O-N 2.99Å; P261-I263 VanDerWaalsContact O-N 3.11Å; I263-Q265 WeakPolarHBondContact CG2-O 3.46Å; I263-V267 HydrophobicContact CG2-CG2 4.27Å; I263-I321 HydrophobicContact CD1-CG2 3.79Å; I263-I321 HydrophobicContact CG1-CG2 4.19Å; I263-R324 HydrophobicContact CG2-CB 3.91Å; I263-Y338 HydrophobicContact CD1-CE1 4.37Å; I263-V342 HydrophobicContact CD1-CG1 4.46Å; I263-V342 HydrophobicContact CG1-CG1 4.47Å
264	K	88.1	Confident	92.5	Very high	158 Å²	158	32 Å²	32	69%	0.687	15%	0.146	S	C	*	.	S	Bend	trans	-79.5	-28.5	-172.5	-69.8	-176.7	177.2	178.4	0	114.1	R324	K264-R324 PolarHBondContact N-O 2.84Å
265	Q	90.9	Very high	93.1	Very high	115 Å²	115	29.9 Å²	29.9	54%	0.537	14%	0.136	S	C	.	.	S	Bend	trans	-116.2	148.9	-177.9	-65.7	-177.4	-13.5	0	0	110	I263 R324	I263-Q265 WeakPolarHBondContact CG2-O 3.46Å; Q265-R324 HydrophobicContact CB-CB 4.35Å; Q265-R324 HydrophobicContact CB-CG 4.01Å; Q265-R324 HydrophobicContact CG-CG 4.25Å; Q265-R324 VanDerWaalsContact OE1-CG 3.28Å
266	E	91.4	Very high	93.2	Very high	65 Å²	65	27.7 Å²	27.7	30%	0.304	13%	0.129	S	C	.	.			trans	-63	143.9	168.3	59.9	-124	-127.5	0	0	111.6	K214 Y215 V257 A258	K214-E266 IonicContact NZ-OE1 3.63Å; K214-E266 PolarHBondContact NZ-OE1 3.47Å; K214-E266 IonicContact NZ-OE2 3Å; K214-E266 PolarHBondContact NZ-OE2 2.85Å; Y215-E266 PolarHBondContact OH-OE1 2.93Å; Y215-E266 PolarHBondContact OH-OE2 3.11Å; Y215-E266 VanDerWaalsContact OH-OE2 3.06Å; V257-E266 HydrophobicContact CB-CB 4.05Å; V257-E266 HydrophobicContact CB-CG 4.21Å; V257-E266 HydrophobicContact CG2-CB 3.97Å; V257-E266 HydrophobicContact CG2-CG 4.05Å; A258-E266 WeakPolarHBondContact O-CA 3.43Å
267	V	94.4	Very high	93.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.5	-177.8	-177.6	0	0	0	0	108.6	A258 I263 I269 I271 V272 F320 I321	A258-V267 PolarHBondContact N-O 2.75Å; A258-V267 PolarHBondContact O-N 3.47Å; I263-V267 HydrophobicContact CG2-CG2 4.27Å; V267-I269 PolarHBondContact O-N 3.31Å; V267-I271 HydrophobicContact CG1-CB 4.01Å; V267-I271 HydrophobicContact CG1-CG2 3.94Å; V267-V272 HydrophobicContact CB-CG2 4.29Å; V267-V272 HydrophobicContact CG1-CG2 3.92Å; V267-F320 HydrophobicContact CG1-CD1 4.35Å; V267-F320 HydrophobicContact CG1-CE1 4.28Å; V267-I321 HydrophobicContact CG1-CG1 4.29Å
268	P	94.6	Very high	93	Very high	12 Å²	12	30.8 Å²	30.8	8%	0.078	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	136.9	172.8	-27.2	33.3	0	0	0	112.1	I270 I271 V272 E307	P268-I270 VanDerWaalsContact C-N 3.29Å; P268-I270 PolarHBondContact O-N 3.38Å; P268-I271 HydrophobicContact CB-CD1 4.11Å; P268-I271 HydrophobicContact CB-CG1 4.24Å; P268-I271 HydrophobicContact CG-CD1 3.92Å; P268-I271 WeakPolarHBondContact O-CB 3.47Å; P268-I271 PolarHBondContact O-N 3.5Å; P268-I271 VanDerWaalsContact O-N 3.1Å; P268-V272 PolarHBondContact O-N 2.67Å; P268-E307 HydrophobicContact CG-CG 4.2Å
269	I	94.4	Very high	92.7	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-57.8	-39	-172.8	179.3	60	0	0	0	113.2	I256 V267 I271 V272 F273 L365 V369	I256-I269 HydrophobicContact CB-CG2 3.96Å; I256-I269 HydrophobicContact CG2-CB 4.3Å; I256-I269 HydrophobicContact CG2-CG2 3.98Å; I256-I269 PolarHBondContact O-N 3.14Å; V267-I269 PolarHBondContact O-N 3.31Å; I269-I271 VanDerWaalsContact C-N 3.3Å; I269-I271 PolarHBondContact O-N 3.41Å; I269-V272 WeakPolarHBondContact O-CA 3.38Å; I269-V272 VanDerWaalsContact O-CB 3.31Å; I269-V272 WeakPolarHBondContact O-CB 3.45Å; I269-V272 PolarHBondContact O-N 3.44Å; I269-F273 HydrophobicContact CD1-CD2 4.07Å; I269-F273 HydrophobicContact CD1-CE2 3.71Å; I269-F273 HydrophobicContact CG1-CD2 3.96Å; I269-F273 HydrophobicContact CG1-CE2 3.68Å; I269-F273 WeakPolarHBondContact O-CD2 3.44Å; I269-F273 PolarHBondContact O-N 3.2Å; I269-L365 HydrophobicContact CD1-CD1 3.85Å; I269-L365 HydrophobicContact CD1-CD2 3.68Å; I269-L365 HydrophobicContact CD1-CG 3.72Å; I269-V369 HydrophobicContact CD1-CG2 3.85Å; I269-V369 HydrophobicContact CG1-CG2 3.72Å
270	I	95.1	Very high	92.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-34.2	-179.5	-55.9	-59.8	0	0	0	111.8	P268 V272 F273 R274 I284 S304 A308	P268-I270 VanDerWaalsContact C-N 3.29Å; P268-I270 PolarHBondContact O-N 3.38Å; I270-V272 VanDerWaalsContact C-N 3.25Å; I270-V272 PolarHBondContact O-N 3.42Å; I270-F273 PolarHBondContact O-N 2.7Å; I270-R274 WeakPolarHBondContact O-CG 3.31Å; I270-R274 PolarHBondContact O-N 3.48Å; I270-I284 HydrophobicContact CD1-CG2 3.77Å; I270-I284 HydrophobicContact CG2-CD1 4.07Å; I270-S304 WeakPolarHBondContact CG1-O 3.49Å; I270-A308 HydrophobicContact CB-CB 3.58Å; I270-A308 HydrophobicContact CG1-CB 4.5Å; I270-A308 HydrophobicContact CG2-CB 3.56Å
271	I	94.8	Very high	92.5	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.026	19%	0.19	C	C	.	.	H	α-helix	trans	-65.5	-33.3	174.7	-62.6	178.2	0	0	0	110.6	V267 P268 I269 A275 A308 I311 A317 F320	V267-I271 HydrophobicContact CG1-CB 4.01Å; V267-I271 HydrophobicContact CG1-CG2 3.94Å; P268-I271 HydrophobicContact CB-CD1 4.11Å; P268-I271 HydrophobicContact CB-CG1 4.24Å; P268-I271 HydrophobicContact CG-CD1 3.92Å; P268-I271 WeakPolarHBondContact O-CB 3.47Å; P268-I271 PolarHBondContact O-N 3.5Å; P268-I271 VanDerWaalsContact O-N 3.1Å; I269-I271 VanDerWaalsContact C-N 3.3Å; I269-I271 PolarHBondContact O-N 3.41Å; I271-A275 WeakPolarHBondContact O-CB 3.39Å; I271-A275 PolarHBondContact O-N 3.17Å; I271-A308 HydrophobicContact CG1-CB 3.92Å; I271-I311 HydrophobicContact CD1-CD1 3.6Å; I271-I311 HydrophobicContact CD1-CG1 4.48Å; I271-I311 HydrophobicContact CG1-CD1 3.93Å; I271-I311 HydrophobicContact CG2-CD1 4.1Å; I271-A317 HydrophobicContact CG2-CB 4.01Å; I271-F320 HydrophobicContact CD1-CD1 4.23Å; I271-F320 HydrophobicContact CD1-CE1 4.04Å; I271-F320 HydrophobicContact CD1-CE2 4.39Å; I271-F320 HydrophobicContact CD1-CZ 4.12Å; I271-F320 HydrophobicContact CG2-CB 4.47Å; I271-F320 HydrophobicContact CG2-CD1 4.08Å; I271-F320 HydrophobicContact CG2-CG 4.41Å
272	V	95.2	Very high	92.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68	-44.6	177.1	-176.1	0	0	0	0	110.8	A258 L260 V267 P268 I269 I270 R274 A275 L276 L343 M347 L365	A258-V272 HydrophobicContact CB-CG2 4.36Å; L260-V272 HydrophobicContact CD1-CG2 4.31Å; V267-V272 HydrophobicContact CB-CG2 4.29Å; V267-V272 HydrophobicContact CG1-CG2 3.92Å; P268-V272 PolarHBondContact O-N 2.67Å; I269-V272 WeakPolarHBondContact O-CA 3.38Å; I269-V272 VanDerWaalsContact O-CB 3.31Å; I269-V272 WeakPolarHBondContact O-CB 3.45Å; I269-V272 PolarHBondContact O-N 3.44Å; I270-V272 VanDerWaalsContact C-N 3.25Å; I270-V272 PolarHBondContact O-N 3.42Å; V272-R274 PolarHBondContact O-N 3.3Å; V272-A275 WeakPolarHBondContact O-CB 3.17Å; V272-A275 PolarHBondContact O-N 3.35Å; V272-A275 VanDerWaalsContact O-N 3.16Å; V272-L276 HydrophobicContact CG1-CD1 4.44Å; V272-L276 WeakPolarHBondContact O-CG 3.33Å; V272-L276 PolarHBondContact O-N 3.06Å; V272-L343 HydrophobicContact CG1-CD2 4.47Å; V272-M347 HydrophobicContact CG1-CE 3.51Å; V272-M347 HydrophobicContact CG1-SD 4.44Å; V272-L365 HydrophobicContact CB-CD2 4.31Å; V272-L365 HydrophobicContact CG1-CD2 3.68Å
273	F	95.6	Very high	92.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-44.2	174.3	-80.6	-76.5	0	0	0	112.6	I269 I270 A275 L276 G277 F278 I284 H287 I288 A362 L365	I269-F273 HydrophobicContact CD1-CD2 4.07Å; I269-F273 HydrophobicContact CD1-CE2 3.71Å; I269-F273 HydrophobicContact CG1-CD2 3.96Å; I269-F273 HydrophobicContact CG1-CE2 3.68Å; I269-F273 WeakPolarHBondContact O-CD2 3.44Å; I269-F273 PolarHBondContact O-N 3.2Å; I270-F273 PolarHBondContact O-N 2.7Å; F273-A275 VanDerWaalsContact C-N 3.26Å; F273-A275 PolarHBondContact O-N 3.03Å; F273-L276 WeakPolarHBondContact O-CB 3.5Å; F273-L276 PolarHBondContact O-N 3.13Å; F273-L276 VanDerWaalsContact O-N 3.08Å; F273-G277 PolarHBondContact O-N 2.78Å; F273-F278 PolarHBondContact O-N 3.27Å; F273-F278 VanDerWaalsContact O-N 3.17Å; F273-I284 HydrophobicContact CB-CD1 3.86Å; F273-I284 HydrophobicContact CB-CG1 3.83Å; F273-I284 HydrophobicContact CB-CG2 3.97Å; F273-I284 HydrophobicContact CD1-CG2 4.32Å; F273-I284 HydrophobicContact CD2-CG2 3.71Å; F273-I284 HydrophobicContact CE2-CG2 4.25Å; F273-I284 HydrophobicContact CG-CG1 4.36Å; F273-I284 HydrophobicContact CG-CG2 3.76Å; F273-H287 HydrophobicContact CE1-CB 4.18Å; F273-I288 HydrophobicContact CE2-CD1 3.82Å; F273-I288 HydrophobicContact CE2-CG1 4.11Å; F273-I288 HydrophobicContact CZ-CD1 4.24Å; F273-I288 HydrophobicContact CZ-CG1 4.02Å; F273-A362 HydrophobicContact CD1-CB 4.2Å; F273-A362 HydrophobicContact CE1-CB 4.03Å; F273-A362 WeakPolarHBondContact CE1-O 3.34Å; F273-L365 HydrophobicContact CE2-CD2 4.2Å; F273-L365 HydrophobicContact CE2-CG 4.29Å; F273-L365 HydrophobicContact CZ-CB 4.31Å; F273-L365 HydrophobicContact CZ-CD2 4.21Å; F273-L365 HydrophobicContact CZ-CG 4.1Å
274	R	94.3	Very high	92.7	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.011	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-34.3	174.4	-69.2	-173.5	-178.8	-119.4	13.3	112.7	I270 V272 G277 F278 V279 D281 I284 I311 Q312 Q314 A317	I270-R274 WeakPolarHBondContact O-CG 3.31Å; I270-R274 PolarHBondContact O-N 3.48Å; V272-R274 PolarHBondContact O-N 3.3Å; R274-G277 PolarHBondContact O-N 3.44Å; R274-F278 VanDerWaalsContact CA-O 3.25Å; R274-F278 WeakPolarHBondContact CA-O 3.28Å; R274-F278 WeakPolarHBondContact CG-O 3.4Å; R274-V279 PolarHBondContact NH1-O 3.3Å; R274-V279 VanDerWaalsContact NH1-O 3.16Å; R274-D281 IonicContact CZ-OD1 3.58Å; R274-D281 IonicContact NE-OD1 2.74Å; R274-D281 IonicContact NH2-OD1 2.66Å; R274-D281 PolarHBondContact NH2-OD1 3.27Å; R274-D281 IonicContact NH2-OD2 3.45Å; R274-I284 HydrophobicContact CG-CD1 4.05Å; R274-I311 WeakPolarHBondContact CD-O 3.37Å; R274-I311 VanDerWaalsContact CZ-O 3.29Å; R274-I311 PolarHBondContact NE-O 3.38Å; R274-I311 PolarHBondContact NH1-O 3.06Å; R274-I311 VanDerWaalsContact NH1-O 3.17Å; R274-Q312 VanDerWaalsContact NH1-CA 3.34Å; R274-Q314 WeakPolarHBondContact O-CA 3.13Å; R274-Q314 WeakPolarHBondContact O-CB 3.46Å; R274-Q314 WeakPolarHBondContact O-CG 3.13Å; R274-A317 HydrophobicContact CB-CB 4.18Å
275	A	93.9	Very high	93	Very high	2 Å²	2	33.2 Å²	33.2	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-71.2	-31.3	174.5	0	0	0	0	0	113.2	I271 V272 F273 G277 Q314 A317 L318 I321 L343	I271-A275 WeakPolarHBondContact O-CB 3.39Å; I271-A275 PolarHBondContact O-N 3.17Å; V272-A275 WeakPolarHBondContact O-CB 3.17Å; V272-A275 PolarHBondContact O-N 3.35Å; V272-A275 VanDerWaalsContact O-N 3.16Å; F273-A275 VanDerWaalsContact C-N 3.26Å; F273-A275 PolarHBondContact O-N 3.03Å; A275-G277 VanDerWaalsContact C-N 3.27Å; A275-G277 PolarHBondContact O-N 3.02Å; A275-Q314 PolarHBondContact O-NE2 3.35Å; A275-A317 HydrophobicContact CB-CB 3.92Å; A275-L318 HydrophobicContact CB-CD2 4.01Å; A275-L318 HydrophobicContact CB-CG 4.31Å; A275-I321 HydrophobicContact CB-CD1 3.61Å; A275-L343 HydrophobicContact CB-CD1 3.76Å
276	L	92.5	Very high	93	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.042	16%	0.158	C	C	.	.	H	α-helix	trans	-72.5	-16.2	175.1	-72.9	169.7	0	0	0	113.4	V272 F273 F278 L343 E358 A362 L365	V272-L276 HydrophobicContact CG1-CD1 4.44Å; V272-L276 WeakPolarHBondContact O-CG 3.33Å; V272-L276 PolarHBondContact O-N 3.06Å; F273-L276 WeakPolarHBondContact O-CB 3.5Å; F273-L276 PolarHBondContact O-N 3.13Å; F273-L276 VanDerWaalsContact O-N 3.08Å; L276-F278 HydrophobicContact CB-CD2 4.3Å; L276-L343 HydrophobicContact CD2-CB 4.43Å; L276-L343 HydrophobicContact CD2-CD1 4.47Å; L276-E358 HydrophobicContact CD2-CB 4.48Å; L276-E358 HydrophobicContact CD2-CG 4.4Å; L276-E358 WeakPolarHBondContact O-CB 3.27Å; L276-A362 HydrophobicContact CD1-CB 4.32Å; L276-L365 HydrophobicContact CD1-CD2 4.16Å
277	G	91.4	Very high	93	Very high	38 Å²	38	27.1 Å²	27.1	39%	0.392	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	124.3	-3.9	175.1	0	0	0	0	0	114.8	F273 R274 A275	F273-G277 PolarHBondContact O-N 2.78Å; R274-G277 PolarHBondContact O-N 3.44Å; A275-G277 VanDerWaalsContact C-N 3.27Å; A275-G277 PolarHBondContact O-N 3.02Å
278	F	92.3	Very high	92.9	Very high	33 Å²	33	27.1 Å²	27.1	15%	0.145	15%	0.146	C	C	.	.			trans	-93.7	104.9	-177.2	-62.7	-86	0	0	0	110.9	F273 R274 L276 D283 I284 H287 T359 A362	F273-F278 PolarHBondContact O-N 3.27Å; F273-F278 VanDerWaalsContact O-N 3.17Å; R274-F278 VanDerWaalsContact CA-O 3.25Å; R274-F278 WeakPolarHBondContact CA-O 3.28Å; R274-F278 WeakPolarHBondContact CG-O 3.4Å; L276-F278 HydrophobicContact CB-CD2 4.3Å; F278-D283 HydrophobicContact CD1-CB 4.32Å; F278-I284 HydrophobicContact CB-CG1 3.99Å; F278-H287 AromaticContact CD1-NE2 3.59Å; F278-H287 AromaticContact CE1-NE2 3.18Å; F278-H287 WeakPolarHBondContact CE1-NE2 3.36Å; F278-H287 AromaticContact CZ-NE2 3.62Å; F278-T359 HydrophobicContact CZ-CG2 4.45Å; F278-A362 HydrophobicContact CD2-CB 3.91Å; F278-A362 HydrophobicContact CE2-CB 3.32Å; F278-A362 HydrophobicContact CZ-CB 3.94Å
279	V	90.2	Very high	92.8	Very high	68 Å²	68	26.6 Å²	26.6	41%	0.412	14%	0.142	S	C	.	.			trans	-92.1	-35.6	-176.3	178.3	0	0	0	0	112.7	R274 Q312	R274-V279 PolarHBondContact NH1-O 3.3Å; R274-V279 VanDerWaalsContact NH1-O 3.16Å; V279-Q312 VanDerWaalsContact CG1-O 3.22Å; V279-Q312 WeakPolarHBondContact CG1-O 3.47Å
280	S	92.4	Very high	92.5	Very high	49 Å²	49	27.7 Å²	27.7	34%	0.343	15%	0.147	S	C	.	.			trans	-71.4	128.4	179.8	165.1	0	0	0	0	110.6	R282 D283 I284	S280-R282 PolarHBondContact O-N 3.39Å; S280-R282 PolarHBondContact OG-N 2.96Å; S280-D283 VanDerWaalsContact CB-OD1 3.27Å; S280-D283 WeakPolarHBondContact CB-OD1 3.2Å; S280-D283 WeakPolarHBondContact CB-OD2 3.44Å; S280-D283 PolarHBondContact O-N 2.83Å; S280-D283 PolarHBondContact OG-N 3.27Å; S280-D283 PolarHBondContact OG-OD1 3.34Å; S280-I284 WeakPolarHBondContact O-CG1 3.13Å; S280-I284 PolarHBondContact O-N 3.28Å
281	D	90.9	Very high	92.2	Very high	51 Å²	51	31.6 Å²	31.6	27%	0.273	17%	0.168	S	C	.	.	H	α-helix	trans	-64.4	-30.9	178	-68.7	-31.9	0	0	0	111.8	R274 I284 L285 L305	R274-D281 IonicContact CZ-OD1 3.58Å; R274-D281 IonicContact NE-OD1 2.74Å; R274-D281 IonicContact NH2-OD1 2.66Å; R274-D281 PolarHBondContact NH2-OD1 3.27Å; R274-D281 IonicContact NH2-OD2 3.45Å; D281-I284 PolarHBondContact O-N 3.06Å; D281-L285 VanDerWaalsContact O-CG 3.31Å; D281-L285 WeakPolarHBondContact O-CG 3.43Å; D281-L285 PolarHBondContact O-N 3.06Å; D281-L305 HydrophobicContact CB-CD1 4.3Å
282	R	91.5	Very high	91.9	Very high	154 Å²	154	35.1 Å²	35.1	58%	0.581	18%	0.183	S	C	*	.	H	α-helix	trans	-62.7	-49.5	175.6	-177.1	-179.2	174.4	112.5	2.7	110.5	S280 I284 L285 E286 F292	S280-R282 PolarHBondContact O-N 3.39Å; S280-R282 PolarHBondContact OG-N 2.96Å; R282-I284 VanDerWaalsContact C-N 3.28Å; R282-I284 PolarHBondContact O-N 3.16Å; R282-L285 CarbonylContact O-C 3.52Å; R282-L285 WeakPolarHBondContact O-CA 3.44Å; R282-L285 WeakPolarHBondContact O-CB 3.47Å; R282-L285 PolarHBondContact O-N 2.9Å; R282-E286 HydrophobicContact CG-CG 4.42Å; R282-E286 IonicContact CZ-OE1 2.64Å; R282-E286 IonicContact NE-OE1 3.57Å; R282-E286 PolarHBondContact NE-OE1 3.11Å; R282-E286 IonicContact NH2-OE1 3.73Å; R282-E286 WeakPolarHBondContact O-CG 3.03Å; R282-E286 PolarHBondContact O-N 2.99Å; R282-F292 HydrophobicContact CG-CE2 4.31Å
283	D	90.7	Very high	91.6	Very high	64 Å²	64	43.1 Å²	43.1	34%	0.342	22%	0.22	S	C	.	.	H	α-helix	trans	-61.9	-39.7	-177.9	-51.9	12.3	0	0	0	110.4	F278 S280 L285 E286 H287	F278-D283 HydrophobicContact CD1-CB 4.32Å; S280-D283 VanDerWaalsContact CB-OD1 3.27Å; S280-D283 WeakPolarHBondContact CB-OD1 3.2Å; S280-D283 WeakPolarHBondContact CB-OD2 3.44Å; S280-D283 PolarHBondContact O-N 2.83Å; S280-D283 PolarHBondContact OG-N 3.27Å; S280-D283 PolarHBondContact OG-OD1 3.34Å; D283-L285 VanDerWaalsContact C-N 3.33Å; D283-L285 PolarHBondContact O-N 2.77Å; D283-E286 PolarHBondContact O-N 2.73Å; D283-H287 PolarHBondContact O-CD2 3.29Å; D283-H287 PolarHBondContact O-N 3.49Å
284	I	92.9	Very high	91.4	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-44	174.6	-62	174.4	0	0	0	111	I270 F273 R274 F278 S280 D281 R282 H287 I288	I270-I284 HydrophobicContact CD1-CG2 3.77Å; I270-I284 HydrophobicContact CG2-CD1 4.07Å; F273-I284 HydrophobicContact CB-CD1 3.86Å; F273-I284 HydrophobicContact CB-CG1 3.83Å; F273-I284 HydrophobicContact CB-CG2 3.97Å; F273-I284 HydrophobicContact CD1-CG2 4.32Å; F273-I284 HydrophobicContact CD2-CG2 3.71Å; F273-I284 HydrophobicContact CE2-CG2 4.25Å; F273-I284 HydrophobicContact CG-CG1 4.36Å; F273-I284 HydrophobicContact CG-CG2 3.76Å; R274-I284 HydrophobicContact CG-CD1 4.05Å; F278-I284 HydrophobicContact CB-CG1 3.99Å; S280-I284 WeakPolarHBondContact O-CG1 3.13Å; S280-I284 PolarHBondContact O-N 3.28Å; D281-I284 PolarHBondContact O-N 3.06Å; R282-I284 VanDerWaalsContact C-N 3.28Å; R282-I284 PolarHBondContact O-N 3.16Å; I284-H287 PolarHBondContact O-N 3.46Å; I284-I288 HydrophobicContact CG2-CD1 4.06Å; I284-I288 WeakPolarHBondContact O-CG1 3.3Å
285	L	92.5	Very high	91.3	Very high	26 Å²	26	48.7 Å²	48.7	14%	0.136	26%	0.256	C	S	.	.	H	α-helix	trans	-67	-36.6	178.2	-71.3	167.8	0	0	0	111.8	D281 R282 D283 H287 I288 I289 F292 M298 V301 L305	D281-L285 VanDerWaalsContact O-CG 3.31Å; D281-L285 WeakPolarHBondContact O-CG 3.43Å; D281-L285 PolarHBondContact O-N 3.06Å; R282-L285 CarbonylContact O-C 3.52Å; R282-L285 WeakPolarHBondContact O-CA 3.44Å; R282-L285 WeakPolarHBondContact O-CB 3.47Å; R282-L285 PolarHBondContact O-N 2.9Å; D283-L285 VanDerWaalsContact C-N 3.33Å; D283-L285 PolarHBondContact O-N 2.77Å; L285-H287 PolarHBondContact O-N 3.17Å; L285-I288 PolarHBondContact O-N 2.98Å; L285-I289 HydrophobicContact CD2-CD1 4.21Å; L285-I289 PolarHBondContact O-N 3.4Å; L285-F292 HydrophobicContact CB-CE1 4.02Å; L285-F292 HydrophobicContact CB-CZ 4.02Å; L285-M298 HydrophobicContact CD1-SD 4.36Å; L285-M298 HydrophobicContact CD2-SD 4.28Å; L285-V301 HydrophobicContact CD2-CG1 3.7Å; L285-V301 HydrophobicContact CD2-CG2 4.37Å; L285-L305 HydrophobicContact CD1-CD1 4.31Å
286	E	91.4	Very high	91.3	Very high	44 Å²	44	53.2 Å²	53.2	21%	0.206	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-26.7	176.7	-71	-178.4	-179.4	0	0	112.4	R282 D283 F292 P558	R282-E286 HydrophobicContact CG-CG 4.42Å; R282-E286 IonicContact CZ-OE1 2.64Å; R282-E286 IonicContact NE-OE1 3.57Å; R282-E286 PolarHBondContact NE-OE1 3.11Å; R282-E286 IonicContact NH2-OE1 3.73Å; R282-E286 WeakPolarHBondContact O-CG 3.03Å; R282-E286 PolarHBondContact O-N 2.99Å; D283-E286 PolarHBondContact O-N 2.73Å; E286-F292 HydrophobicContact CB-CZ 4.17Å; E286-F292 HydrophobicContact CG-CE1 4.23Å; E286-F292 HydrophobicContact CG-CE2 3.7Å; E286-F292 HydrophobicContact CG-CZ 3.29Å; E286-P558 HydrophobicContact CB-CB 3.79Å; E286-P558 HydrophobicContact CB-CG 3.93Å; E286-P558 HydrophobicContact CG-CB 4.43Å
287	H	91.3	Very high	91.2	Very high	9 Å²	9	53.1 Å²	53.1	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-81.4	-21.5	174	-65	-59.7	0	0	0	114.3	F273 F278 D283 I284 L285 Y363 G366	F273-H287 HydrophobicContact CE1-CB 4.18Å; F278-H287 AromaticContact CD1-NE2 3.59Å; F278-H287 AromaticContact CE1-NE2 3.18Å; F278-H287 WeakPolarHBondContact CE1-NE2 3.36Å; F278-H287 AromaticContact CZ-NE2 3.62Å; D283-H287 PolarHBondContact O-CD2 3.29Å; D283-H287 PolarHBondContact O-N 3.49Å; I284-H287 PolarHBondContact O-N 3.46Å; L285-H287 PolarHBondContact O-N 3.17Å; H287-Y363 AromaticContact CE1-CE1 3.79Å; H287-Y363 AromaticContact CE1-CE2 3.67Å; H287-Y363 AromaticContact CE1-CZ 3.52Å; H287-Y363 AromaticContact ND1-CD1 3.39Å; H287-Y363 WeakPolarHBondContact ND1-CD1 2.94Å; H287-Y363 AromaticContact ND1-CD2 3.97Å; H287-Y363 AromaticContact ND1-CE1 3.24Å; H287-Y363 WeakPolarHBondContact ND1-CE1 3.26Å; H287-Y363 AromaticContact ND1-CE2 3.84Å; H287-Y363 AromaticContact ND1-CG 3.76Å; H287-Y363 AromaticContact ND1-CZ 3.48Å; H287-G366 CarbonylContact O-C 3.59Å; H287-G366 VanDerWaalsContact O-CA 3.27Å; H287-G366 WeakPolarHBondContact O-CA 3.5Å
288	I	92.7	Very high	91.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-102.3	-45.9	-175.6	-59.2	167.7	0	0	0	111.5	F273 I284 L285 V369 H370 L373	F273-I288 HydrophobicContact CE2-CD1 3.82Å; F273-I288 HydrophobicContact CE2-CG1 4.11Å; F273-I288 HydrophobicContact CZ-CD1 4.24Å; F273-I288 HydrophobicContact CZ-CG1 4.02Å; I284-I288 HydrophobicContact CG2-CD1 4.06Å; I284-I288 WeakPolarHBondContact O-CG1 3.3Å; L285-I288 PolarHBondContact O-N 2.98Å; I288-V369 HydrophobicContact CD1-CG1 4.38Å; I288-V369 HydrophobicContact CG1-CB 4.45Å; I288-V369 HydrophobicContact CG1-CG1 4.49Å; I288-V369 HydrophobicContact CG2-CB 4.02Å; I288-V369 HydrophobicContact CG2-CG1 3.63Å; I288-H370 WeakPolarHBondContact O-CB 3.47Å; I288-H370 PolarHBondContact O-ND1 2.62Å; I288-L373 HydrophobicContact CG2-CD1 3.98Å
289	I	92.4	Very high	91.1	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	29%	0.288	C	S	.	.			trans	-115.7	103.4	-174.3	-58.7	175.3	0	0	0	107.2	L285 D291 F292 M297 M298 V301	L285-I289 HydrophobicContact CD2-CD1 4.21Å; L285-I289 PolarHBondContact O-N 3.4Å; I289-D291 VanDerWaalsContact C-N 3.3Å; I289-D291 WeakPolarHBondContact CG2-O 3.39Å; I289-F292 HydrophobicContact CB-CD1 4.41Å; I289-F292 HydrophobicContact CB-CE1 4.37Å; I289-F292 HydrophobicContact CG2-CD1 4.17Å; I289-F292 WeakPolarHBondContact O-CD1 3.44Å; I289-F292 WeakPolarHBondContact O-CE1 3.43Å; I289-M297 HydrophobicContact CB-CE 4.4Å; I289-M297 HydrophobicContact CD1-CB 3.97Å; I289-M297 HydrophobicContact CG1-CB 4.3Å; I289-M297 HydrophobicContact CG1-CE 4.07Å; I289-M297 HydrophobicContact CG2-CE 4.06Å; I289-M298 HydrophobicContact CB-CE 4.28Å; I289-M298 HydrophobicContact CD1-CE 3.95Å; I289-M298 HydrophobicContact CD1-CG 4.12Å; I289-M298 HydrophobicContact CD1-SD 3.57Å; I289-M298 VanDerWaalsContact CD1-SD 3.57Å; I289-M298 HydrophobicContact CG2-CE 4Å; I289-V301 HydrophobicContact CD1-CG1 3.94Å
290	Y	89	Confident	91	Very high	24 Å²	24	55.8 Å²	55.8	9%	0.094	28%	0.275	C	S	.	.	S	Bend	trans	-75.1	-22.3	-178.2	-48.9	-54.2	0	0	0	112.9	H370 I561 W573	Y290-H370 AromaticContact CD2-CE1 3.83Å; Y290-H370 AromaticContact CE2-CG 3.91Å; Y290-H370 AromaticContact CE2-ND1 3.89Å; Y290-I561 HydrophobicContact CD1-CB 4.37Å; Y290-I561 HydrophobicContact CD1-CG2 3.83Å; Y290-I561 HydrophobicContact CD2-CG2 4.43Å; Y290-I561 HydrophobicContact CE1-CG2 4.14Å; Y290-I561 HydrophobicContact CG-CG2 3.99Å; Y290-W573 HydrophobicContact CE1-CH2 4.36Å
291	D	88.7	Confident	90.9	Very high	83 Å²	83	53.6 Å²	53.6	44%	0.444	26%	0.26	S	S	.	.			trans	-118.2	106.6	177.1	-177.7	3.6	0	0	0	110.4	I289 E293 D294	I289-D291 VanDerWaalsContact C-N 3.3Å; I289-D291 WeakPolarHBondContact CG2-O 3.39Å; D291-E293 PolarHBondContact O-N 3.27Å; D291-E293 WeakPolarHBondContact OD1-CB 3.2Å; D291-E293 PolarHBondContact OD1-N 3.04Å; D291-D294 PolarHBondContact O-N 2.81Å
292	F	88.4	Confident	90.9	Very high	78 Å²	78	55.8 Å²	55.8	34%	0.342	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-8.4	-178.3	-76	-4	0	0	0	114.1	R282 L285 E286 I289 D294 M298	R282-F292 HydrophobicContact CG-CE2 4.31Å; L285-F292 HydrophobicContact CB-CE1 4.02Å; L285-F292 HydrophobicContact CB-CZ 4.02Å; E286-F292 HydrophobicContact CB-CZ 4.17Å; E286-F292 HydrophobicContact CG-CE1 4.23Å; E286-F292 HydrophobicContact CG-CE2 3.7Å; E286-F292 HydrophobicContact CG-CZ 3.29Å; I289-F292 HydrophobicContact CB-CD1 4.41Å; I289-F292 HydrophobicContact CB-CE1 4.37Å; I289-F292 HydrophobicContact CG2-CD1 4.17Å; I289-F292 WeakPolarHBondContact O-CD1 3.44Å; I289-F292 WeakPolarHBondContact O-CE1 3.43Å; F292-D294 PolarHBondContact O-N 3.06Å; F292-M298 HydrophobicContact CB-CE 4.2Å; F292-M298 HydrophobicContact CD1-CE 3.33Å; F292-M298 HydrophobicContact CE1-CE 3.76Å; F292-M298 HydrophobicContact CG-CE 3.9Å
293	E	89.1	Confident	90.9	Very high	169 Å²	169	49 Å²	49	79%	0.79	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.5	175.7	-58.8	-171.9	171.8	0	0	112.3	D291 P295	D291-E293 PolarHBondContact O-N 3.27Å; D291-E293 WeakPolarHBondContact OD1-CB 3.2Å; D291-E293 PolarHBondContact OD1-N 3.04Å; E293-P295 WeakPolarHBondContact O-CD 3.28Å
294	D	91.4	Very high	90.9	Very high	21 Å²	21	46 Å²	46	11%	0.112	23%	0.226	C	C	.	.			trans	-86.2	101.8	-178.7	-172	-12	0	0	0	113.6	D291 F292 E296 M297 M298 R379	D291-D294 PolarHBondContact O-N 2.81Å; F292-D294 PolarHBondContact O-N 3.06Å; D294-E296 VanDerWaalsContact C-N 3.32Å; D294-E296 PolarHBondContact O-N 3.21Å; D294-E296 WeakPolarHBondContact OD1-CB 3.45Å; D294-E296 PolarHBondContact OD1-N 3.38Å; D294-E296 VanDerWaalsContact OD1-N 3.12Å; D294-M297 PolarHBondContact OD1-N 2.87Å; D294-M297 WeakPolarHBondContact OD2-CG 3.44Å; D294-M298 WeakPolarHBondContact O-CG 3.33Å; D294-M298 PolarHBondContact O-N 3.39Å; D294-R379 VanDerWaalsContact CG-NH2 3.32Å; D294-R379 IonicContact OD1-NH2 2.88Å; D294-R379 PolarHBondContact OD1-NH2 3.49Å; D294-R379 IonicContact OD2-CZ 3.54Å; D294-R379 IonicContact OD2-NH1 3.94Å; D294-R379 PolarHBondContact OD2-NH1 3.06Å; D294-R379 IonicContact OD2-NH2 2.69Å; D294-R379 PolarHBondContact OD2-NH2 2.81Å
295	P	92.1	Very high	90.8	Very high	99 Å²	99	47.4 Å²	47.4	64%	0.643	23%	0.234	S	C	*	.	H	α-helix	trans	-75.9	-23.9	-174.6	-11.1	30.4	0	0	0	112.4	E293 M298 E299	E293-P295 WeakPolarHBondContact O-CD 3.28Å; P295-M298 PolarHBondContact O-N 3.41Å; P295-E299 WeakPolarHBondContact O-CB 3.32Å; P295-E299 PolarHBondContact O-N 3.41Å
296	E	93.2	Very high	90.6	Very high	97 Å²	97	51 Å²	51	45%	0.453	25%	0.253	S	S	.	.	H	α-helix	trans	-72.8	-43	-173.8	-167.7	-176.3	-155.7	0	0	110.7	D294 E299 M300 L377 R379	D294-E296 VanDerWaalsContact C-N 3.32Å; D294-E296 PolarHBondContact O-N 3.21Å; D294-E296 WeakPolarHBondContact OD1-CB 3.45Å; D294-E296 PolarHBondContact OD1-N 3.38Å; D294-E296 VanDerWaalsContact OD1-N 3.12Å; E296-E299 PolarHBondContact O-N 2.98Å; E296-M300 PolarHBondContact O-N 3Å; E296-M300 VanDerWaalsContact O-N 3.15Å; E296-L377 HydrophobicContact CG-CD1 4.06Å; E296-L377 HydrophobicContact CG-CD2 3.63Å; E296-L377 HydrophobicContact CG-CG 4.49Å; E296-R379 IonicContact OE2-CZ 3.51Å; E296-R379 IonicContact OE2-NE 2.68Å; E296-R379 IonicContact OE2-NH2 3.82Å; E296-R379 PolarHBondContact OE2-NH2 3.44Å
297	M	90.9	Very high	90.4	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-40.4	172.1	-75	-120.9	-72.2	0	0	111.9	I289 D294 E299 M300 V301 H370 L373 L377	I289-M297 HydrophobicContact CB-CE 4.4Å; I289-M297 HydrophobicContact CD1-CB 3.97Å; I289-M297 HydrophobicContact CG1-CB 4.3Å; I289-M297 HydrophobicContact CG1-CE 4.07Å; I289-M297 HydrophobicContact CG2-CE 4.06Å; D294-M297 PolarHBondContact OD1-N 2.87Å; D294-M297 WeakPolarHBondContact OD2-CG 3.44Å; M297-E299 PolarHBondContact O-N 2.95Å; M297-M300 PolarHBondContact O-N 2.92Å; M297-V301 PolarHBondContact O-N 2.99Å; M297-V301 VanDerWaalsContact O-N 3.12Å; M297-H370 VanDerWaalsContact CE-CE1 3.44Å; M297-H370 WeakPolarHBondContact CE-CE1 3.43Å; M297-L373 HydrophobicContact SD-CB 3.69Å; M297-L373 HydrophobicContact SD-CD1 3.91Å; M297-L373 HydrophobicContact SD-CG 4.45Å; M297-L377 HydrophobicContact CG-CD1 3.73Å; M297-L377 HydrophobicContact SD-CD1 4.43Å
298	M	90.4	Very high	90.2	Very high	49 Å²	49	51.7 Å²	51.7	24%	0.241	26%	0.257	C	S	.	.	H	α-helix	trans	-61.5	-42.2	175.8	-70.6	-69.1	-178.2	0	0	112	L285 I289 F292 D294 P295 M300 V301 K302	L285-M298 HydrophobicContact CD1-SD 4.36Å; L285-M298 HydrophobicContact CD2-SD 4.28Å; I289-M298 HydrophobicContact CB-CE 4.28Å; I289-M298 HydrophobicContact CD1-CE 3.95Å; I289-M298 HydrophobicContact CD1-CG 4.12Å; I289-M298 HydrophobicContact CD1-SD 3.57Å; I289-M298 VanDerWaalsContact CD1-SD 3.57Å; I289-M298 HydrophobicContact CG2-CE 4Å; F292-M298 HydrophobicContact CB-CE 4.2Å; F292-M298 HydrophobicContact CD1-CE 3.33Å; F292-M298 HydrophobicContact CE1-CE 3.76Å; F292-M298 HydrophobicContact CG-CE 3.9Å; D294-M298 WeakPolarHBondContact O-CG 3.33Å; D294-M298 PolarHBondContact O-N 3.39Å; P295-M298 PolarHBondContact O-N 3.41Å; M298-M300 VanDerWaalsContact C-N 3.31Å; M298-M300 PolarHBondContact O-N 3.4Å; M298-V301 WeakPolarHBondContact O-CG1 3.47Å; M298-V301 PolarHBondContact O-N 3.41Å; M298-K302 PolarHBondContact O-N 3.13Å; M298-K302 VanDerWaalsContact O-N 3.13Å
299	E	90	Very high	90.1	Very high	120 Å²	120	58.5 Å²	58.5	56%	0.561	29%	0.287	S	S	*	.	H	α-helix	trans	-63.3	-36.5	175.6	168.8	152.8	-138.2	0	0	112.4	P295 E296 M297 K302	P295-E299 WeakPolarHBondContact O-CB 3.32Å; P295-E299 PolarHBondContact O-N 3.41Å; E296-E299 PolarHBondContact O-N 2.98Å; M297-E299 PolarHBondContact O-N 2.95Å; E299-K302 HydrophobicContact CG-CD 4.47Å; E299-K302 WeakPolarHBondContact O-CE 3.46Å; E299-K302 VanDerWaalsContact O-CG 3.27Å; E299-K302 WeakPolarHBondContact O-CG 3.39Å; E299-K302 IonicContact OE1-NZ 3.71Å; E299-K302 PolarHBondContact OE1-NZ 3.2Å
300	M	89.1	Confident	90	Very high	27 Å²	27	64.4 Å²	64.4	13%	0.133	32%	0.322	C	S	.	.	H	α-helix	trans	-74.7	-31.6	-178.4	-168.2	170.2	-81.3	0	0	112.6	M239 E296 M297 M298 P303 L373 A376 L377	M239-M300 HydrophobicContact CE-CG 4.08Å; M239-M300 HydrophobicContact CE-SD 3.6Å; M239-M300 VanDerWaalsContact CE-SD 3.6Å; M239-M300 HydrophobicContact SD-SD 4.36Å; E296-M300 PolarHBondContact O-N 3Å; E296-M300 VanDerWaalsContact O-N 3.15Å; M297-M300 PolarHBondContact O-N 2.92Å; M298-M300 VanDerWaalsContact C-N 3.31Å; M298-M300 PolarHBondContact O-N 3.4Å; M300-P303 VanDerWaalsContact O-CD 3.23Å; M300-P303 WeakPolarHBondContact O-CD 3.42Å; M300-L373 HydrophobicContact CB-CD2 3.98Å; M300-L373 HydrophobicContact CG-CD2 3.58Å; M300-L373 HydrophobicContact SD-CD2 3.5Å; M300-L373 VanDerWaalsContact SD-CD2 3.5Å; M300-A376 HydrophobicContact CE-CB 4.17Å; M300-A376 HydrophobicContact SD-CB 3.75Å; M300-L377 HydrophobicContact CE-CD2 3.28Å; M300-L377 HydrophobicContact CE-CG 3.79Å; M300-L377 HydrophobicContact SD-CD2 4.16Å; M300-L377 HydrophobicContact SD-CG 4.07Å
301	V	91.1	Very high	90	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.018	32%	0.319	C	S	.	.	H	α-helix	trans	-81.8	-28.9	179	72.8	0	0	0	0	113.2	L285 I289 M297 M298 P303 S304 L305	L285-V301 HydrophobicContact CD2-CG1 3.7Å; L285-V301 HydrophobicContact CD2-CG2 4.37Å; I289-V301 HydrophobicContact CD1-CG1 3.94Å; M297-V301 PolarHBondContact O-N 2.99Å; M297-V301 VanDerWaalsContact O-N 3.12Å; M298-V301 WeakPolarHBondContact O-CG1 3.47Å; M298-V301 PolarHBondContact O-N 3.41Å; V301-P303 VanDerWaalsContact C-N 3.34Å; V301-P303 WeakPolarHBondContact O-CD 3.5Å; V301-P303 VanDerWaalsContact O-N 3.12Å; V301-S304 WeakPolarHBondContact O-CB 3.5Å; V301-S304 PolarHBondContact O-N 3.17Å; V301-L305 PolarHBondContact O-N 3.06Å
302	K	89.9	Confident	90	Very high	97 Å²	97	63.8 Å²	63.8	42%	0.422	32%	0.318	S	S	.	.	H	α-helix	trans	-45.4	-43.9	-177.7	85.5	-169.6	162.2	-172.1	0	115.1	M298 E299 S304 L305 D306	M298-K302 PolarHBondContact O-N 3.13Å; M298-K302 VanDerWaalsContact O-N 3.13Å; E299-K302 HydrophobicContact CG-CD 4.47Å; E299-K302 WeakPolarHBondContact O-CE 3.46Å; E299-K302 VanDerWaalsContact O-CG 3.27Å; E299-K302 WeakPolarHBondContact O-CG 3.39Å; E299-K302 IonicContact OE1-NZ 3.71Å; E299-K302 PolarHBondContact OE1-NZ 3.2Å; K302-S304 PolarHBondContact O-N 3.09Å; K302-L305 WeakPolarHBondContact O-CB 3.18Å; K302-L305 PolarHBondContact O-N 3.4Å; K302-D306 PolarHBondContact O-N 3.49Å
303	P	91	Very high	90.2	Very high	11 Å²	11	66 Å²	66	7%	0.071	33%	0.329	C	S	.	.	H	α-helix	trans	-70.4	-23.5	-173.9	-13.7	32.9	0	0	0	112.2	I252 R255 M300 V301 E307	I252-P303 HydrophobicContact CG2-CB 4.15Å; R255-P303 HydrophobicContact CG-CB 4.22Å; M300-P303 VanDerWaalsContact O-CD 3.23Å; M300-P303 WeakPolarHBondContact O-CD 3.42Å; V301-P303 VanDerWaalsContact C-N 3.34Å; V301-P303 WeakPolarHBondContact O-CD 3.5Å; V301-P303 VanDerWaalsContact O-N 3.12Å; P303-E307 PolarHBondContact O-N 2.81Å
304	S	90.8	Very high	90.4	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-80	-26.1	176.4	-50.8	0	0	0	0	111.7	I256 I270 V301 K302	I256-S304 PolarHBondContact N-OG 2.95Å; I270-S304 WeakPolarHBondContact CG1-O 3.49Å; V301-S304 WeakPolarHBondContact O-CB 3.5Å; V301-S304 PolarHBondContact O-N 3.17Å; K302-S304 PolarHBondContact O-N 3.09Å
305	L	90.5	Very high	90.4	Very high	32 Å²	32	64 Å²	64	17%	0.168	32%	0.321	C	S	.	.	H	α-helix	trans	-75.8	-46.1	175.6	-155.7	154.2	0	0	0	110.6	D281 L285 V301 K302 E307 A308 F309	D281-L305 HydrophobicContact CB-CD1 4.3Å; L285-L305 HydrophobicContact CD1-CD1 4.31Å; V301-L305 PolarHBondContact O-N 3.06Å; K302-L305 WeakPolarHBondContact O-CB 3.18Å; K302-L305 PolarHBondContact O-N 3.4Å; L305-E307 PolarHBondContact O-N 3.21Å; L305-A308 PolarHBondContact O-N 3.01Å; L305-F309 PolarHBondContact O-N 3.38Å
306	D	89.9	Confident	90.5	Very high	103 Å²	103	62.1 Å²	62.1	55%	0.551	31%	0.308	S	S	*	.	H	α-helix	trans	-57.1	-36	175.3	-66.1	-24.4	0	0	0	112.6	K302 A308 F309	K302-D306 PolarHBondContact O-N 3.49Å; D306-A308 VanDerWaalsContact C-N 3.33Å; D306-A308 PolarHBondContact O-N 3Å; D306-F309 WeakPolarHBondContact O-CB 3.27Å
307	E	85.9	Confident	90.5	Very high	66 Å²	66	57.5 Å²	57.5	31%	0.308	29%	0.287	S	S	.	.	H	α-helix	trans	-65.8	-34.3	178.1	-178.6	171.6	-138.2	0	0	112.8	R255 P268 P303 L305	R255-E307 WeakPolarHBondContact CD-OE2 3.39Å; R255-E307 IonicContact CZ-OE1 3.93Å; R255-E307 IonicContact NH1-OE1 3.09Å; R255-E307 PolarHBondContact NH1-OE1 3.39Å; P268-E307 HydrophobicContact CG-CG 4.2Å; P303-E307 PolarHBondContact O-N 2.81Å; L305-E307 PolarHBondContact O-N 3.21Å
308	A	88.5	Confident	90.6	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-92.2	-1.5	-175.9	0	0	0	0	0	113.9	I270 I271 L305 D306 V310 I311	I270-A308 HydrophobicContact CB-CB 3.58Å; I270-A308 HydrophobicContact CG1-CB 4.5Å; I270-A308 HydrophobicContact CG2-CB 3.56Å; I271-A308 HydrophobicContact CG1-CB 3.92Å; L305-A308 PolarHBondContact O-N 3.01Å; D306-A308 VanDerWaalsContact C-N 3.33Å; D306-A308 PolarHBondContact O-N 3Å; A308-V310 PolarHBondContact O-N 3.12Å; A308-I311 PolarHBondContact O-N 3.35Å
309	F	89.1	Confident	90.7	Very high	143 Å²	143	56.9 Å²	56.9	63%	0.627	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-27.6	-177.5	-178.2	-98.1	0	0	0	114	L305 D306 I311 Q312	L305-F309 PolarHBondContact O-N 3.38Å; D306-F309 WeakPolarHBondContact O-CB 3.27Å; F309-I311 VanDerWaalsContact C-N 3.26Å; F309-I311 PolarHBondContact O-N 2.81Å; F309-Q312 PolarHBondContact O-NE2 2.92Å
310	V	90.2	Very high	90.8	Very high	125 Å²	125	53.7 Å²	53.7	76%	0.758	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.6	179.3	-59.8	0	0	0	0	114.2	A308	A308-V310 PolarHBondContact O-N 3.12Å
311	I	90.8	Very high	90.9	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	26%	0.263	C	S	.	.			trans	-110.8	103.5	-178.2	-55.8	-167.3	0	0	0	109.3	I271 R274 A308 F309 V316 A317 F320	I271-I311 HydrophobicContact CD1-CD1 3.6Å; I271-I311 HydrophobicContact CD1-CG1 4.48Å; I271-I311 HydrophobicContact CG1-CD1 3.93Å; I271-I311 HydrophobicContact CG2-CD1 4.1Å; R274-I311 WeakPolarHBondContact CD-O 3.37Å; R274-I311 VanDerWaalsContact CZ-O 3.29Å; R274-I311 PolarHBondContact NE-O 3.38Å; R274-I311 PolarHBondContact NH1-O 3.06Å; R274-I311 VanDerWaalsContact NH1-O 3.17Å; A308-I311 PolarHBondContact O-N 3.35Å; F309-I311 VanDerWaalsContact C-N 3.26Å; F309-I311 PolarHBondContact O-N 2.81Å; I311-V316 HydrophobicContact CG1-CG1 4.42Å; I311-V316 HydrophobicContact CG2-CB 4.12Å; I311-V316 HydrophobicContact CG2-CG1 4.06Å; I311-A317 HydrophobicContact CG2-CB 3.86Å; I311-F320 HydrophobicContact CD1-CB 4.03Å; I311-F320 HydrophobicContact CD1-CD2 3.74Å; I311-F320 HydrophobicContact CD1-CE2 4.42Å; I311-F320 HydrophobicContact CD1-CG 3.96Å
312	Q	88.4	Confident	90.8	Very high	88 Å²	88	52.3 Å²	52.3	41%	0.411	26%	0.262	S	S	.	.			trans	-102.2	-7.9	-178.3	-62.7	-64.9	-22.3	0	0	114.6	R274 V279 F309	R274-Q312 VanDerWaalsContact NH1-CA 3.34Å; V279-Q312 VanDerWaalsContact CG1-O 3.22Å; V279-Q312 WeakPolarHBondContact CG1-O 3.47Å; F309-Q312 PolarHBondContact O-NE2 2.92Å
313	E	91.6	Very high	90.8	Very high	123 Å²	123	49.3 Å²	49.3	58%	0.575	25%	0.254	S	S	*	.	S	Bend	trans	-128.5	147.5	-176.7	-64.6	-176.1	-177.8	0	0	113	N315 V316 A317	E313-N315 PolarHBondContact O-N 3.28Å; E313-V316 HydrophobicContact CB-CG2 4.18Å; E313-V316 PolarHBondContact O-N 2.89Å; E313-A317 PolarHBondContact O-N 3.34Å
314	Q	93.1	Very high	90.7	Very high	66 Å²	66	52 Å²	52	31%	0.308	26%	0.262	S	S	.	.	H	α-helix	trans	-58.4	-44.1	178.5	-177.2	-179.8	24.6	0	0	112.9	R274 A275 V316 A317 L318	R274-Q314 WeakPolarHBondContact O-CA 3.13Å; R274-Q314 WeakPolarHBondContact O-CB 3.46Å; R274-Q314 WeakPolarHBondContact O-CG 3.13Å; A275-Q314 PolarHBondContact O-NE2 3.35Å; Q314-V316 VanDerWaalsContact C-N 3.27Å; Q314-V316 PolarHBondContact O-N 3.36Å; Q314-A317 WeakPolarHBondContact O-CB 3.31Å; Q314-A317 PolarHBondContact O-N 2.87Å; Q314-A317 VanDerWaalsContact O-N 3.13Å; Q314-L318 HydrophobicContact CG-CD1 3.95Å; Q314-L318 HydrophobicContact CG-CG 4.34Å; Q314-L318 WeakPolarHBondContact O-CG 3.1Å; Q314-L318 PolarHBondContact O-N 3.18Å
315	N	92.9	Very high	90.3	Very high	82 Å²	82	52.1 Å²	52.1	44%	0.439	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-32.7	-177.8	-74.9	-30.4	0	0	0	112.6	E313 N319 I336	E313-N315 PolarHBondContact O-N 3.28Å; N315-N319 WeakPolarHBondContact O-CB 2.78Å; N315-N319 PolarHBondContact O-N 3.02Å; N315-I336 HydrophobicContact CB-CD1 4.33Å
316	V	93.6	Very high	89.5	Confident	60 Å²	60	53 Å²	53	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-70.7	-41.3	175.3	-179.1	0	0	0	0	110	I311 E313 Q314 N319 F320	I311-V316 HydrophobicContact CG1-CG1 4.42Å; I311-V316 HydrophobicContact CG2-CB 4.12Å; I311-V316 HydrophobicContact CG2-CG1 4.06Å; E313-V316 HydrophobicContact CB-CG2 4.18Å; E313-V316 PolarHBondContact O-N 2.89Å; Q314-V316 VanDerWaalsContact C-N 3.27Å; Q314-V316 PolarHBondContact O-N 3.36Å; V316-N319 PolarHBondContact O-N 3.14Å; V316-F320 WeakPolarHBondContact O-CB 3.35Å; V316-F320 PolarHBondContact O-N 3.27Å
317	A	93.2	Very high	88.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-45.1	174.1	0	0	0	0	0	112.4	I271 R274 A275 I311 E313 Q314 N319 F320 I321	I271-A317 HydrophobicContact CG2-CB 4.01Å; R274-A317 HydrophobicContact CB-CB 4.18Å; A275-A317 HydrophobicContact CB-CB 3.92Å; I311-A317 HydrophobicContact CG2-CB 3.86Å; E313-A317 PolarHBondContact O-N 3.34Å; Q314-A317 WeakPolarHBondContact O-CB 3.31Å; Q314-A317 PolarHBondContact O-N 2.87Å; Q314-A317 VanDerWaalsContact O-N 3.13Å; A317-N319 PolarHBondContact O-N 2.78Å; A317-F320 WeakPolarHBondContact O-CA 3.25Å; A317-F320 VanDerWaalsContact O-CB 3.26Å; A317-F320 WeakPolarHBondContact O-CB 3.46Å; A317-F320 PolarHBondContact O-N 2.84Å; A317-F320 VanDerWaalsContact O-N 3.08Å; A317-I321 PolarHBondContact O-N 3.26Å
318	L	92.9	Very high	87.7	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-41.4	176.5	-72.5	170.7	0	0	0	112	A275 Q314 F320 I321 G322 I336 A339 L343	A275-L318 HydrophobicContact CB-CD2 4.01Å; A275-L318 HydrophobicContact CB-CG 4.31Å; Q314-L318 HydrophobicContact CG-CD1 3.95Å; Q314-L318 HydrophobicContact CG-CG 4.34Å; Q314-L318 WeakPolarHBondContact O-CG 3.1Å; Q314-L318 PolarHBondContact O-N 3.18Å; L318-F320 VanDerWaalsContact C-N 3.29Å; L318-F320 PolarHBondContact O-N 3.42Å; L318-I321 PolarHBondContact O-N 3.09Å; L318-G322 PolarHBondContact O-N 3.37Å; L318-I336 HydrophobicContact CB-CB 4.42Å; L318-I336 HydrophobicContact CB-CG1 4.15Å; L318-I336 HydrophobicContact CB-CG2 4.14Å; L318-I336 HydrophobicContact CD1-CG2 3.88Å; L318-A339 HydrophobicContact CB-CB 4.27Å; L318-A339 HydrophobicContact CD2-CB 3.86Å; L318-A339 VanDerWaalsContact O-CB 3.27Å; L318-A339 WeakPolarHBondContact O-CB 3.18Å; L318-L343 HydrophobicContact CD2-CD1 3.79Å
319	N	91.8	Very high	86.6	Confident	41 Å²	41	59.7 Å²	59.7	22%	0.219	33%	0.327	C	S	.	.	H	α-helix	trans	-66.4	-33	172.9	-179.7	51.8	0	0	0	112	N315 V316 A317 S323 R335 I336	N315-N319 WeakPolarHBondContact O-CB 2.78Å; N315-N319 PolarHBondContact O-N 3.02Å; V316-N319 PolarHBondContact O-N 3.14Å; A317-N319 PolarHBondContact O-N 2.78Å; N319-S323 WeakPolarHBondContact O-CB 3.17Å; N319-S323 PolarHBondContact O-N 2.75Å; N319-S323 PolarHBondContact O-OG 3.47Å; N319-S323 VanDerWaalsContact O-OG 3.1Å; N319-R335 WeakPolarHBondContact OD1-CD 3.46Å; N319-I336 HydrophobicContact CB-CG1 4.35Å
320	F	91.9	Very high	86.1	Confident	53 Å²	53	55.3 Å²	55.3	23%	0.232	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-48.3	174	-172.4	-80.9	0	0	0	110.6	V267 I271 I311 V316 A317 L318 S323 R324	V267-F320 HydrophobicContact CG1-CD1 4.35Å; V267-F320 HydrophobicContact CG1-CE1 4.28Å; I271-F320 HydrophobicContact CD1-CD1 4.23Å; I271-F320 HydrophobicContact CD1-CE1 4.04Å; I271-F320 HydrophobicContact CD1-CE2 4.39Å; I271-F320 HydrophobicContact CD1-CZ 4.12Å; I271-F320 HydrophobicContact CG2-CB 4.47Å; I271-F320 HydrophobicContact CG2-CD1 4.08Å; I271-F320 HydrophobicContact CG2-CG 4.41Å; I311-F320 HydrophobicContact CD1-CB 4.03Å; I311-F320 HydrophobicContact CD1-CD2 3.74Å; I311-F320 HydrophobicContact CD1-CE2 4.42Å; I311-F320 HydrophobicContact CD1-CG 3.96Å; V316-F320 WeakPolarHBondContact O-CB 3.35Å; V316-F320 PolarHBondContact O-N 3.27Å; A317-F320 WeakPolarHBondContact O-CA 3.25Å; A317-F320 VanDerWaalsContact O-CB 3.26Å; A317-F320 WeakPolarHBondContact O-CB 3.46Å; A317-F320 PolarHBondContact O-N 2.84Å; A317-F320 VanDerWaalsContact O-N 3.08Å; L318-F320 VanDerWaalsContact C-N 3.29Å; L318-F320 PolarHBondContact O-N 3.42Å; F320-S323 PolarHBondContact O-OG 3.41Å; F320-R324 VanDerWaalsContact CE2-CZ 3.47Å; F320-R324 WeakPolarHBondContact O-CD 3.44Å; F320-R324 PolarHBondContact O-NH1 2.89Å
321	I	92	Very high	86	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.1	-48.8	176.8	-64	170.8	0	0	0	110.6	I263 V267 A275 A317 L318 S323 R324 G325 A339 L343	I263-I321 HydrophobicContact CD1-CG2 3.79Å; I263-I321 HydrophobicContact CG1-CG2 4.19Å; V267-I321 HydrophobicContact CG1-CG1 4.29Å; A275-I321 HydrophobicContact CB-CD1 3.61Å; A317-I321 PolarHBondContact O-N 3.26Å; L318-I321 PolarHBondContact O-N 3.09Å; I321-S323 VanDerWaalsContact C-N 3.29Å; I321-S323 PolarHBondContact O-N 3.09Å; I321-R324 CarbonylContact O-C 3.53Å; I321-R324 PolarHBondContact O-N 3.14Å; I321-G325 PolarHBondContact O-N 2.88Å; I321-A339 HydrophobicContact CB-CB 4.1Å; I321-A339 HydrophobicContact CG2-CB 4.04Å; I321-L343 HydrophobicContact CD1-CD1 4.37Å
322	G	89.9	Confident	85.8	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-62.8	-31.5	-175.7	0	0	0	0	0	113.9	L318 R324 G325	L318-G322 PolarHBondContact O-N 3.37Å; G322-R324 VanDerWaalsContact C-N 3.27Å; G322-R324 PolarHBondContact O-N 2.94Å; G322-G325 PolarHBondContact O-N 2.92Å
323	S	88.6	Confident	85.8	Confident	34 Å²	34	60.3 Å²	60.3	24%	0.238	33%	0.332	C	S	.	.	H	α-helix	trans	-70.6	-20.6	174.5	61.1	0	0	0	0	113.7	N319 F320 I321	N319-S323 WeakPolarHBondContact O-CB 3.17Å; N319-S323 PolarHBondContact O-N 2.75Å; N319-S323 PolarHBondContact O-OG 3.47Å; N319-S323 VanDerWaalsContact O-OG 3.1Å; F320-S323 PolarHBondContact O-OG 3.41Å; I321-S323 VanDerWaalsContact C-N 3.29Å; I321-S323 PolarHBondContact O-N 3.09Å
324	R	88.7	Confident	85.6	Confident	68 Å²	68	60.7 Å²	60.7	26%	0.257	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	4.7	173.7	-71.9	83.7	-178.7	177.8	-4	113	I263 K264 Q265 F320 I321 G322	I263-R324 HydrophobicContact CG2-CB 3.91Å; K264-R324 PolarHBondContact N-O 2.84Å; Q265-R324 HydrophobicContact CB-CB 4.35Å; Q265-R324 HydrophobicContact CB-CG 4.01Å; Q265-R324 HydrophobicContact CG-CG 4.25Å; Q265-R324 VanDerWaalsContact OE1-CG 3.28Å; F320-R324 VanDerWaalsContact CE2-CZ 3.47Å; F320-R324 WeakPolarHBondContact O-CD 3.44Å; F320-R324 PolarHBondContact O-NH1 2.89Å; I321-R324 CarbonylContact O-C 3.53Å; I321-R324 PolarHBondContact O-N 3.14Å; G322-R324 VanDerWaalsContact C-N 3.27Å; G322-R324 PolarHBondContact O-N 2.94Å
325	G	83.3	Confident	85.4	Confident	2 Å²	2	60.6 Å²	60.6	2%	0.021	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-69	176.3	175.5	0	0	0	0	0	113.7	I321 G322 K327	I321-G325 PolarHBondContact O-N 2.88Å; G322-G325 PolarHBondContact O-N 2.92Å; G325-K327 VanDerWaalsContact C-N 3.25Å; G325-K327 PolarHBondContact O-N 3.09Å
326	A	74.3	Confident	85.3	Confident	51 Å²	51	57.5 Å²	57.5	42%	0.421	31%	0.312	S	S	.	.	S	Bend	trans	-63.9	-26.8	-178.4	0	0	0	0	0	114.1	P328	A326-P328 WeakPolarHBondContact O-CD 3.24Å
327	K	72.7	Confident	85.1	Confident	162 Å²	162	62 Å²	62	70%	0.704	33%	0.326	S	S	*	.			trans	-117.8	81.7	-178.5	-70.2	178	173.5	173.1	0	111.9	G325 G329	G325-K327 VanDerWaalsContact C-N 3.25Å; G325-K327 PolarHBondContact O-N 3.09Å; K327-G329 VanDerWaalsContact C-N 3.34Å; K327-G329 PolarHBondContact O-N 3.21Å
328	P	64.3	Low	85	Confident	71 Å²	71	64.8 Å²	64.8	46%	0.461	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-7.2	-169.4	26.5	-33.6	0	0	0	116.7	A326 R335	A326-P328 WeakPolarHBondContact O-CD 3.24Å; P328-R335 PolarHBondContact O-NH2 2.87Å
329	G	65.9	Low	84.9	Confident	77 Å²	77	64.7 Å²	64.7	79%	0.794	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	7.2	-170.7	0	0	0	0	0	117.6	K327	K327-G329 VanDerWaalsContact C-N 3.34Å; K327-G329 PolarHBondContact O-N 3.21Å
330	V	79.3	Confident	84.8	Confident	51 Å²	51	68.1 Å²	68.1	31%	0.309	35%	0.35	S	S	.	.	S	Bend	trans	-91.7	160.8	-177.1	-79	0	0	0	0	113.3	K334 R335	V330-K334 HydrophobicContact CB-CB 3.76Å; V330-K334 HydrophobicContact CB-CD 4.09Å; V330-K334 HydrophobicContact CG1-CB 4.39Å; V330-K334 HydrophobicContact CG1-CD 3.93Å; V330-K334 HydrophobicContact CG2-CB 4.02Å; V330-R335 HydrophobicContact CG2-CG 3.98Å; V330-R335 PolarHBondContact O-NE 3.5Å; V330-R335 PolarHBondContact O-NH2 2.88Å
331	T	87.3	Confident	84.8	Confident	91 Å²	91	69.9 Å²	69.9	56%	0.558	36%	0.359	S	S	*	.			trans	-57.3	159	177.1	56.8	0	0	0	0	112.7	E333 K334 R335	T331-E333 VanDerWaalsContact C-N 3.3Å; T331-E333 PolarHBondContact O-N 3.49Å; T331-K334 PolarHBondContact O-N 3.46Å; T331-K334 VanDerWaalsContact O-N 3.1Å; T331-R335 WeakPolarHBondContact O-CG 3.47Å; T331-R335 PolarHBondContact O-N 2.98Å
332	K	86.3	Confident	84.7	Confident	113 Å²	113	70.1 Å²	70.1	49%	0.491	36%	0.36	S	S	.	.	H	α-helix	trans	-49.3	-48.6	178.4	-174.7	-175	175.8	-172	0	112.2	K334 R335 I336	K332-K334 PolarHBondContact O-N 3.38Å; K332-R335 WeakPolarHBondContact O-CB 3.41Å; K332-R335 PolarHBondContact O-N 3.09Å; K332-R335 VanDerWaalsContact O-N 3.15Å; K332-I336 HydrophobicContact CG-CD1 4.03Å; K332-I336 WeakPolarHBondContact O-CG1 3.48Å; K332-I336 PolarHBondContact O-N 3.08Å
333	E	87.8	Confident	84.8	Confident	119 Å²	119	70.5 Å²	70.5	56%	0.556	36%	0.362	S	S	*	.	H	α-helix	trans	-58.6	-44.7	178.6	-69.2	-54.6	132.5	0	0	113.4	T331 R335 I336 K337	T331-E333 VanDerWaalsContact C-N 3.3Å; T331-E333 PolarHBondContact O-N 3.49Å; E333-R335 VanDerWaalsContact C-N 3.32Å; E333-R335 PolarHBondContact O-N 3.04Å; E333-I336 PolarHBondContact O-N 2.99Å; E333-K337 WeakPolarHBondContact O-CG 3.46Å; E333-K337 PolarHBondContact O-N 3.49Å
334	K	87.9	Confident	84.8	Confident	132 Å²	132	69.9 Å²	69.9	57%	0.574	36%	0.355	S	S	*	.	H	α-helix	trans	-67	-34.5	177.6	-78.9	-177.1	179.6	177.7	0	111.9	V330 T331 K332 Y338	V330-K334 HydrophobicContact CB-CB 3.76Å; V330-K334 HydrophobicContact CB-CD 4.09Å; V330-K334 HydrophobicContact CG1-CB 4.39Å; V330-K334 HydrophobicContact CG1-CD 3.93Å; V330-K334 HydrophobicContact CG2-CB 4.02Å; T331-K334 PolarHBondContact O-N 3.46Å; T331-K334 VanDerWaalsContact O-N 3.1Å; K332-K334 PolarHBondContact O-N 3.38Å; K334-Y338 VanDerWaalsContact O-CB 3.29Å; K334-Y338 WeakPolarHBondContact O-CB 3.36Å; K334-Y338 PolarHBondContact O-N 3.01Å
335	R	88.5	Confident	84.8	Confident	64 Å²	64	70.8 Å²	70.8	24%	0.242	36%	0.361	C	S	.	.	H	α-helix	trans	-65.6	-43.8	174.5	-69.3	178	-172	167.9	-1.4	111.6	N319 P328 V330 T331 K332 E333 Y338 A339	N319-R335 WeakPolarHBondContact OD1-CD 3.46Å; P328-R335 PolarHBondContact O-NH2 2.87Å; V330-R335 HydrophobicContact CG2-CG 3.98Å; V330-R335 PolarHBondContact O-NE 3.5Å; V330-R335 PolarHBondContact O-NH2 2.88Å; T331-R335 WeakPolarHBondContact O-CG 3.47Å; T331-R335 PolarHBondContact O-N 2.98Å; K332-R335 WeakPolarHBondContact O-CB 3.41Å; K332-R335 PolarHBondContact O-N 3.09Å; K332-R335 VanDerWaalsContact O-N 3.15Å; E333-R335 VanDerWaalsContact C-N 3.32Å; E333-R335 PolarHBondContact O-N 3.04Å; R335-Y338 PolarHBondContact O-N 3.33Å; R335-A339 WeakPolarHBondContact O-CB 3.41Å; R335-A339 PolarHBondContact O-N 3.16Å
336	I	90.8	Very high	85.1	Confident	17 Å²	17	72.8 Å²	72.8	9%	0.087	37%	0.37	C	S	.	.	H	α-helix	trans	-62.4	-48.5	177.2	-68.6	171.6	0	0	0	110	N315 L318 N319 K332 E333 Y338 A339 K340	N315-I336 HydrophobicContact CB-CD1 4.33Å; L318-I336 HydrophobicContact CB-CB 4.42Å; L318-I336 HydrophobicContact CB-CG1 4.15Å; L318-I336 HydrophobicContact CB-CG2 4.14Å; L318-I336 HydrophobicContact CD1-CG2 3.88Å; N319-I336 HydrophobicContact CB-CG1 4.35Å; K332-I336 HydrophobicContact CG-CD1 4.03Å; K332-I336 WeakPolarHBondContact O-CG1 3.48Å; K332-I336 PolarHBondContact O-N 3.08Å; E333-I336 PolarHBondContact O-N 2.99Å; I336-Y338 VanDerWaalsContact C-N 3.34Å; I336-Y338 PolarHBondContact O-N 3.17Å; I336-A339 PolarHBondContact O-N 3.16Å; I336-K340 WeakPolarHBondContact O-CB 3.31Å; I336-K340 PolarHBondContact O-N 2.98Å
337	K	89.9	Confident	85.9	Confident	154 Å²	154	70.3 Å²	70.3	67%	0.67	35%	0.349	S	S	*	.	H	α-helix	trans	-57.7	-45.2	175.6	-74.6	-172.3	177.7	-171.8	0	112.3	E333 K340 E341	E333-K337 WeakPolarHBondContact O-CG 3.46Å; E333-K337 PolarHBondContact O-N 3.49Å; K337-K340 PolarHBondContact O-N 2.96Å; K337-E341 WeakPolarHBondContact O-CB 3.32Å; K337-E341 PolarHBondContact O-N 3.5Å
338	Y	90.6	Very high	86.8	Confident	58 Å²	58	62.7 Å²	62.7	23%	0.227	32%	0.316	C	S	.	.	H	α-helix	trans	-63.5	-44.9	177.4	177.7	-100	0	0	0	112.4	I263 K334 R335 I336 E341 V342	I263-Y338 HydrophobicContact CD1-CE1 4.37Å; K334-Y338 VanDerWaalsContact O-CB 3.29Å; K334-Y338 WeakPolarHBondContact O-CB 3.36Å; K334-Y338 PolarHBondContact O-N 3.01Å; R335-Y338 PolarHBondContact O-N 3.33Å; I336-Y338 VanDerWaalsContact C-N 3.34Å; I336-Y338 PolarHBondContact O-N 3.17Å; Y338-E341 PolarHBondContact O-N 2.97Å; Y338-V342 HydrophobicContact CD1-CG2 4.3Å; Y338-V342 HydrophobicContact CE1-CG2 3.83Å; Y338-V342 HydrophobicContact CE2-CG2 4.25Å; Y338-V342 WeakPolarHBondContact O-CG2 3.25Å; Y338-V342 PolarHBondContact O-N 3.3Å
339	A	90.9	Very high	88.2	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-42.8	177.7	0	0	0	0	0	111.6	L318 I321 R335 I336 E341 V342 L343	L318-A339 HydrophobicContact CB-CB 4.27Å; L318-A339 HydrophobicContact CD2-CB 3.86Å; L318-A339 VanDerWaalsContact O-CB 3.27Å; L318-A339 WeakPolarHBondContact O-CB 3.18Å; I321-A339 HydrophobicContact CB-CB 4.1Å; I321-A339 HydrophobicContact CG2-CB 4.04Å; R335-A339 WeakPolarHBondContact O-CB 3.41Å; R335-A339 PolarHBondContact O-N 3.16Å; I336-A339 PolarHBondContact O-N 3.16Å; A339-E341 VanDerWaalsContact C-N 3.33Å; A339-E341 PolarHBondContact O-N 3.01Å; A339-V342 PolarHBondContact O-N 2.84Å; A339-L343 WeakPolarHBondContact O-CG 3.15Å; A339-L343 PolarHBondContact O-N 3.3Å
340	K	91	Very high	89.4	Confident	112 Å²	112	56.7 Å²	56.7	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-60.6	-42.3	174.2	-174.5	173	-77.9	-163.7	0	111.2	I336 K337 V342 L343 Q344	I336-K340 WeakPolarHBondContact O-CB 3.31Å; I336-K340 PolarHBondContact O-N 2.98Å; K337-K340 PolarHBondContact O-N 2.96Å; K340-V342 PolarHBondContact O-N 3.29Å; K340-L343 PolarHBondContact O-N 3.26Å; K340-Q344 WeakPolarHBondContact O-CB 3.41Å; K340-Q344 PolarHBondContact O-N 3.41Å
341	E	90.2	Very high	90	Very high	91 Å²	91	55.2 Å²	55.2	43%	0.425	25%	0.253	S	S	.	.	H	α-helix	trans	-62.2	-41.2	174.8	-178.2	169.3	-148	0	0	112.7	K337 Y338 A339 Q344 K345	K337-E341 WeakPolarHBondContact O-CB 3.32Å; K337-E341 PolarHBondContact O-N 3.5Å; Y338-E341 PolarHBondContact O-N 2.97Å; A339-E341 VanDerWaalsContact C-N 3.33Å; A339-E341 PolarHBondContact O-N 3.01Å; E341-Q344 PolarHBondContact O-N 2.96Å; E341-K345 HydrophobicContact CG-CD 4.02Å; E341-K345 WeakPolarHBondContact O-CB 3.38Å; E341-K345 PolarHBondContact O-N 3.17Å; E341-K345 IonicContact OE1-NZ 3.7Å; E341-K345 PolarHBondContact OE1-NZ 3.04Å
342	V	90.9	Very high	90	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.024	23%	0.232	C	C	.	.	I	π-helix	trans	-63.7	-45	176.2	170	0	0	0	0	111.1	I263 Y338 A339 K340 Q344 E346 M347	I263-V342 HydrophobicContact CD1-CG1 4.46Å; I263-V342 HydrophobicContact CG1-CG1 4.47Å; Y338-V342 HydrophobicContact CD1-CG2 4.3Å; Y338-V342 HydrophobicContact CE1-CG2 3.83Å; Y338-V342 HydrophobicContact CE2-CG2 4.25Å; Y338-V342 WeakPolarHBondContact O-CG2 3.25Å; Y338-V342 PolarHBondContact O-N 3.3Å; A339-V342 PolarHBondContact O-N 2.84Å; K340-V342 PolarHBondContact O-N 3.29Å; V342-Q344 VanDerWaalsContact C-N 3.34Å; V342-E346 HydrophobicContact CG1-CB 4.13Å; V342-E346 HydrophobicContact CG2-CG 4.5Å; V342-E346 CarbonylContact O-C 3.53Å; V342-E346 WeakPolarHBondContact O-CA 3.46Å; V342-E346 VanDerWaalsContact O-CB 3.31Å; V342-E346 WeakPolarHBondContact O-CB 3.22Å; V342-E346 PolarHBondContact O-N 3Å; V342-M347 PolarHBondContact O-N 2.87Å
343	L	91.1	Very high	90.1	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.047	22%	0.223	C	C	.	.	I	π-helix	trans	-67.1	-37.1	178.2	-66.2	176.5	0	0	0	111.9	L260 V272 A275 L276 L318 I321 A339 K340 M347 K361	L260-L343 HydrophobicContact CD1-CD2 4.34Å; V272-L343 HydrophobicContact CG1-CD2 4.47Å; A275-L343 HydrophobicContact CB-CD1 3.76Å; L276-L343 HydrophobicContact CD2-CB 4.43Å; L276-L343 HydrophobicContact CD2-CD1 4.47Å; L318-L343 HydrophobicContact CD2-CD1 3.79Å; I321-L343 HydrophobicContact CD1-CD1 4.37Å; A339-L343 WeakPolarHBondContact O-CG 3.15Å; A339-L343 PolarHBondContact O-N 3.3Å; K340-L343 PolarHBondContact O-N 3.26Å; L343-M347 HydrophobicContact CD2-CE 3.41Å; L343-M347 VanDerWaalsContact CD2-CE 3.41Å; L343-M347 HydrophobicContact CD2-SD 3.82Å; L343-K361 PolarHBondContact O-NZ 3.03Å
344	Q	90.3	Very high	90.1	Very high	21 Å²	21	46.4 Å²	46.4	10%	0.098	22%	0.222	C	C	.	.	I	π-helix	trans	-74.5	-47.8	-177.9	-171.5	56.8	27.6	0	0	112.5	K340 E341 V342 V353 S354 K361	K340-Q344 WeakPolarHBondContact O-CB 3.41Å; K340-Q344 PolarHBondContact O-N 3.41Å; E341-Q344 PolarHBondContact O-N 2.96Å; V342-Q344 VanDerWaalsContact C-N 3.34Å; Q344-V353 PolarHBondContact NE2-O 2.96Å; Q344-S354 PolarHBondContact NE2-O 3.47Å; Q344-K361 PolarHBondContact O-NZ 3.22Å
345	K	88.1	Confident	89.8	Confident	88 Å²	88	46.2 Å²	46.2	38%	0.383	23%	0.227	S	C	.	.	I	π-helix	trans	-99.3	-50.2	-174.5	-59.7	-179.9	-171.1	165.5	0	111.9	R230 E341 V353	R230-K345 PolarHBondContact NH1-O 3.5Å; R230-K345 PolarHBondContact NH2-O 3.4Å; E341-K345 HydrophobicContact CG-CD 4.02Å; E341-K345 WeakPolarHBondContact O-CB 3.38Å; E341-K345 PolarHBondContact O-N 3.17Å; E341-K345 IonicContact OE1-NZ 3.7Å; E341-K345 PolarHBondContact OE1-NZ 3.04Å; K345-V353 HydrophobicContact CB-CG1 4.34Å; K345-V353 HydrophobicContact CG-CG1 3.92Å
346	E	89.1	Confident	89.6	Confident	43 Å²	43	51.6 Å²	51.6	20%	0.201	25%	0.253	C	S	.	.	I	π-helix	trans	-83.1	-36.2	-166.4	-56.8	-60.6	153.9	0	0	114.2	R230 S233 P261 Y262 V342 P349	R230-E346 IonicContact CZ-OE1 3.26Å; R230-E346 IonicContact CZ-OE2 2.81Å; R230-E346 VanDerWaalsContact NH2-CA 3.35Å; R230-E346 IonicContact NH2-OE1 3.09Å; R230-E346 PolarHBondContact NH2-OE1 3.31Å; R230-E346 IonicContact NH2-OE2 2.66Å; R230-E346 PolarHBondContact NH2-OE2 3.26Å; S233-E346 WeakPolarHBondContact CB-O 3.44Å; S233-E346 PolarHBondContact OG-O 3.02Å; P261-E346 HydrophobicContact CG-CB 3.94Å; P261-E346 WeakPolarHBondContact CG-O 3.46Å; Y262-E346 HydrophobicContact CD2-CB 4.16Å; Y262-E346 HydrophobicContact CD2-CG 3.81Å; Y262-E346 HydrophobicContact CE2-CB 4.47Å; Y262-E346 HydrophobicContact CE2-CG 4.04Å; Y262-E346 WeakPolarHBondContact CE2-OE2 3.19Å; V342-E346 HydrophobicContact CG1-CB 4.13Å; V342-E346 HydrophobicContact CG2-CG 4.5Å; V342-E346 CarbonylContact O-C 3.53Å; V342-E346 WeakPolarHBondContact O-CA 3.46Å; V342-E346 VanDerWaalsContact O-CB 3.31Å; V342-E346 WeakPolarHBondContact O-CB 3.22Å; V342-E346 PolarHBondContact O-N 3Å; E346-P349 WeakPolarHBondContact O-CD 3.26Å
347	M	91.1	Very high	89.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-80.8	127.8	175	176.3	-169.3	-79.4	0	0	110.8	I235 L260 V272 V342 L343 K361	I235-M347 HydrophobicContact CD1-CE 4.31Å; I235-M347 HydrophobicContact CD1-CG 4.3Å; L260-M347 HydrophobicContact CD1-CE 3.71Å; L260-M347 HydrophobicContact CD2-CE 3.22Å; L260-M347 HydrophobicContact CG-CE 4.07Å; V272-M347 HydrophobicContact CG1-CE 3.51Å; V272-M347 HydrophobicContact CG1-SD 4.44Å; V342-M347 PolarHBondContact O-N 2.87Å; L343-M347 HydrophobicContact CD2-CE 3.41Å; L343-M347 VanDerWaalsContact CD2-CE 3.41Å; L343-M347 HydrophobicContact CD2-SD 3.82Å; M347-K361 PolarHBondContact O-NZ 2.85Å
348	L	92.4	Very high	89.4	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.23	C	C	.	.			trans	46.1	53.6	173.3	-60	168.2	0	0	0	114.7	I235 H350 V351 F364 M368	I235-L348 HydrophobicContact CG2-CD2 3.96Å; L348-H350 PolarHBondContact O-N 3.19Å; L348-H350 VanDerWaalsContact O-N 3.09Å; L348-V351 HydrophobicContact CB-CG2 4.19Å; L348-V351 PolarHBondContact O-N 2.98Å; L348-F364 HydrophobicContact CD1-CD1 3.85Å; L348-F364 HydrophobicContact CD2-CD1 3.63Å; L348-F364 HydrophobicContact CD2-CE1 3.67Å; L348-F364 HydrophobicContact CG-CD1 4.35Å; L348-M368 HydrophobicContact CD2-SD 4.34Å
349	P	92.1	Very high	89.4	Confident	4 Å²	4	46 Å²	46	3%	0.026	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-30.8	179	-18.9	14.4	0	0	0	115.8	S223 L225 S233 E346 V351 G352 V353	S223-P349 WeakPolarHBondContact OG-CD 2.87Å; S223-P349 VanDerWaalsContact OG-N 3.11Å; L225-P349 HydrophobicContact CB-CB 4.15Å; S233-P349 WeakPolarHBondContact OG-CD 3.49Å; S233-P349 VanDerWaalsContact OG-CG 3.24Å; S233-P349 WeakPolarHBondContact OG-CG 3.47Å; E346-P349 WeakPolarHBondContact O-CD 3.26Å; P349-V351 VanDerWaalsContact C-N 3.28Å; P349-V351 PolarHBondContact O-N 3.27Å; P349-G352 PolarHBondContact O-N 3.24Å; P349-V353 HydrophobicContact CB-CG2 4.23Å
350	H	92.2	Very high	89.4	Confident	18 Å²	18	49.3 Å²	49.3	8%	0.083	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-22.4	-175.7	71.6	-76.7	0	0	0	114	N203 S223 C224 L348 F364	N203-H350 HydrophobicContact CB-CB 4.39Å; N203-H350 VanDerWaalsContact CG-CB 3.48Å; N203-H350 WeakPolarHBondContact OD1-CB 3.43Å; S223-H350 VanDerWaalsContact CB-ND1 3.32Å; S223-H350 WeakPolarHBondContact CB-ND1 3.39Å; S223-H350 PolarHBondContact OG-N 3.16Å; S223-H350 VanDerWaalsContact OG-N 3.14Å; S223-H350 PolarHBondContact OG-ND1 2.86Å; C224-H350 WeakPolarHBondContact O-CB 3.45Å; L348-H350 PolarHBondContact O-N 3.19Å; L348-H350 VanDerWaalsContact O-N 3.09Å; H350-F364 AromaticContact CE1-CE1 3.75Å; H350-F364 AromaticContact CE1-CZ 3.86Å; H350-F364 AromaticContact NE2-CE1 3.82Å; H350-F364 AromaticContact NE2-CE2 3.78Å; H350-F364 AromaticContact NE2-CZ 3.48Å; H350-F364 WeakPolarHBondContact NE2-CZ 3.39Å
351	V	91.6	Very high	89.5	Confident	20 Å²	20	44 Å²	44	12%	0.121	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-30.9	178.4	-177.6	0	0	0	0	111	L348 P349 K360 K361 F364	L348-V351 HydrophobicContact CB-CG2 4.19Å; L348-V351 PolarHBondContact O-N 2.98Å; P349-V351 VanDerWaalsContact C-N 3.28Å; P349-V351 PolarHBondContact O-N 3.27Å; V351-K360 HydrophobicContact CG1-CB 3.52Å; V351-K361 HydrophobicContact CB-CG 4.31Å; V351-K361 HydrophobicContact CG1-CG 4.24Å; V351-F364 HydrophobicContact CG2-CB 4.15Å; V351-F364 HydrophobicContact CG2-CD1 4.4Å; V351-F364 HydrophobicContact CG2-CD2 4.39Å; V351-F364 HydrophobicContact CG2-CG 4.05Å
352	G	87.8	Confident	89.7	Confident	13 Å²	13	39.7 Å²	39.7	13%	0.134	21%	0.207	C	C	.	.			trans	155.4	145.7	-179.1	0	0	0	0	0	112.5	P349 K361	P349-G352 PolarHBondContact O-N 3.24Å; G352-K361 WeakPolarHBondContact O-CE 3.05Å; G352-K361 PolarHBondContact O-NZ 3.37Å
353	V	88.4	Confident	89.8	Confident	48 Å²	48	40 Å²	40	29%	0.291	21%	0.207	S	C	.	.			trans	-122.6	-3.7	177.3	-171.4	0	0	0	0	111.6	Q344 K345 P349	Q344-V353 PolarHBondContact NE2-O 2.96Å; K345-V353 HydrophobicContact CB-CG1 4.34Å; K345-V353 HydrophobicContact CG-CG1 3.92Å; P349-V353 HydrophobicContact CB-CG2 4.23Å
354	S	87.1	Confident	90	Very high	77 Å²	77	39.8 Å²	39.8	54%	0.538	21%	0.206	S	C	.	.	S	Bend	trans	-76.4	157	174.9	51.9	0	0	0	0	112.1	Q344 C357	Q344-S354 PolarHBondContact NE2-O 3.47Å; S354-C357 WeakPolarHBondContact O-CB 3.41Å; S354-C357 PolarHBondContact O-N 3.08Å; S354-C357 PolarHBondContact O-SG 3.17Å; S354-C357 PolarHBondContact OG-SG 2.85Å
355	D	81.3	Confident	90.2	Very high	128 Å²	128	38.8 Å²	38.8	68%	0.684	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	146.6	175.8	-58.5	-28.7	0	0	0	110.5	C357	D355-C357 PolarHBondContact O-N 2.57Å
356	F	84.4	Confident	90.5	Very high	177 Å²	177	34.6 Å²	34.6	78%	0.776	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.1	13.9	-179.8	-49.3	-75	0	0	0	116.8	E358	F356-E358 WeakPolarHBondContact CA-OE2 3.42Å; F356-E358 PolarHBondContact N-OE2 2.87Å; F356-E358 PolarHBondContact O-N 3.27Å
357	C	87.7	Confident	90.8	Very high	7 Å²	7	33 Å²	33	5%	0.047	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	4.2	173.5	-72.6	0	0	0	0	114.8	S354 D355 T359 K360 K361	S354-C357 WeakPolarHBondContact O-CB 3.41Å; S354-C357 PolarHBondContact O-N 3.08Å; S354-C357 PolarHBondContact O-SG 3.17Å; S354-C357 PolarHBondContact OG-SG 2.85Å; D355-C357 PolarHBondContact O-N 2.57Å; C357-T359 VanDerWaalsContact C-N 3.31Å; C357-T359 PolarHBondContact O-N 3.23Å; C357-K360 PolarHBondContact O-N 3.01Å; C357-K361 WeakPolarHBondContact O-CG 3.38Å; C357-K361 PolarHBondContact O-N 2.72Å; C357-K361 VanDerWaalsContact O-N 3.12Å
358	E	89.1	Confident	91.1	Very high	51 Å²	51	33 Å²	33	24%	0.238	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-37.3	-174.5	-67.9	88.5	159.3	0	0	112.7	L276 F356 K361 A362	L276-E358 HydrophobicContact CD2-CB 4.48Å; L276-E358 HydrophobicContact CD2-CG 4.4Å; L276-E358 WeakPolarHBondContact O-CB 3.27Å; F356-E358 WeakPolarHBondContact CA-OE2 3.42Å; F356-E358 PolarHBondContact N-OE2 2.87Å; F356-E358 PolarHBondContact O-N 3.27Å; E358-K361 PolarHBondContact O-N 2.78Å; E358-A362 WeakPolarHBondContact O-CB 3.44Å; E358-A362 PolarHBondContact O-N 3.02Å
359	T	90.5	Very high	91.2	Very high	54 Å²	54	33 Å²	33	33%	0.331	18%	0.175	S	C	.	.	H	α-helix	trans	-63.9	-49.1	178	-56.8	0	0	0	0	111.9	F278 C357 K361 A362 Y363	F278-T359 HydrophobicContact CZ-CG2 4.45Å; C357-T359 VanDerWaalsContact C-N 3.31Å; C357-T359 PolarHBondContact O-N 3.23Å; T359-K361 VanDerWaalsContact C-N 3.29Å; T359-K361 PolarHBondContact O-N 3.41Å; T359-A362 WeakPolarHBondContact O-CB 3.43Å; T359-A362 PolarHBondContact O-N 2.97Å; T359-A362 VanDerWaalsContact O-N 3.12Å; T359-Y363 HydrophobicContact CG2-CD2 3.96Å; T359-Y363 HydrophobicContact CG2-CE2 3.74Å; T359-Y363 WeakPolarHBondContact O-CD2 2.93Å; T359-Y363 PolarHBondContact O-N 3.1Å
360	K	91.6	Very high	91.4	Very high	70 Å²	70	34.1 Å²	34.1	30%	0.304	18%	0.18	S	C	.	.	H	α-helix	trans	-60.4	-40.8	176.6	-60.4	-172.5	-156.9	-175.2	0	111.5	V351 C357 A362 Y363 F364 E554	V351-K360 HydrophobicContact CG1-CB 3.52Å; C357-K360 PolarHBondContact O-N 3.01Å; K360-A362 VanDerWaalsContact C-N 3.34Å; K360-A362 PolarHBondContact O-N 2.91Å; K360-Y363 PolarHBondContact O-N 3.35Å; K360-F364 PolarHBondContact O-N 3.11Å; K360-E554 WeakPolarHBondContact CE-OE1 3.42Å; K360-E554 HydrophobicContact CG-CG 4.45Å; K360-E554 IonicContact NZ-OE1 3.75Å; K360-E554 PolarHBondContact NZ-OE1 3.1Å
361	K	93.3	Very high	91.5	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-64.8	-37.5	176.1	-70.6	-173	-172	-162.1	0	112.3	L343 Q344 M347 V351 G352 C357 E358 T359 F364 L365	L343-K361 PolarHBondContact O-NZ 3.03Å; Q344-K361 PolarHBondContact O-NZ 3.22Å; M347-K361 PolarHBondContact O-NZ 2.85Å; V351-K361 HydrophobicContact CB-CG 4.31Å; V351-K361 HydrophobicContact CG1-CG 4.24Å; G352-K361 WeakPolarHBondContact O-CE 3.05Å; G352-K361 PolarHBondContact O-NZ 3.37Å; C357-K361 WeakPolarHBondContact O-CG 3.38Å; C357-K361 PolarHBondContact O-N 2.72Å; C357-K361 VanDerWaalsContact O-N 3.12Å; E358-K361 PolarHBondContact O-N 2.78Å; T359-K361 VanDerWaalsContact C-N 3.29Å; T359-K361 PolarHBondContact O-N 3.41Å; K361-F364 PolarHBondContact O-N 3.19Å; K361-L365 VanDerWaalsContact O-CB 3.22Å; K361-L365 WeakPolarHBondContact O-CB 3.43Å; K361-L365 PolarHBondContact O-N 3.44Å
362	A	93.3	Very high	91.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.6	-44.6	175.5	0	0	0	0	0	111.5	F273 L276 F278 E358 T359 K360 F364 L365 G366	F273-A362 HydrophobicContact CD1-CB 4.2Å; F273-A362 HydrophobicContact CE1-CB 4.03Å; F273-A362 WeakPolarHBondContact CE1-O 3.34Å; L276-A362 HydrophobicContact CD1-CB 4.32Å; F278-A362 HydrophobicContact CD2-CB 3.91Å; F278-A362 HydrophobicContact CE2-CB 3.32Å; F278-A362 HydrophobicContact CZ-CB 3.94Å; E358-A362 WeakPolarHBondContact O-CB 3.44Å; E358-A362 PolarHBondContact O-N 3.02Å; T359-A362 WeakPolarHBondContact O-CB 3.43Å; T359-A362 PolarHBondContact O-N 2.97Å; T359-A362 VanDerWaalsContact O-N 3.12Å; K360-A362 VanDerWaalsContact C-N 3.34Å; K360-A362 PolarHBondContact O-N 2.91Å; A362-F364 PolarHBondContact O-N 3.06Å; A362-L365 PolarHBondContact O-N 3.46Å; A362-G366 PolarHBondContact O-N 3.31Å
363	Y	93	Very high	92	Very high	11 Å²	11	32.6 Å²	32.6	4%	0.043	17%	0.167	C	C	.	.	H	α-helix	trans	-58.7	-47.2	173.5	-85.2	-68.6	0	0	0	112.6	H287 T359 K360 G366 Y367 L553 I561 W573	H287-Y363 AromaticContact CE1-CE1 3.79Å; H287-Y363 AromaticContact CE1-CE2 3.67Å; H287-Y363 AromaticContact CE1-CZ 3.52Å; H287-Y363 AromaticContact ND1-CD1 3.39Å; H287-Y363 WeakPolarHBondContact ND1-CD1 2.94Å; H287-Y363 AromaticContact ND1-CD2 3.97Å; H287-Y363 AromaticContact ND1-CE1 3.24Å; H287-Y363 WeakPolarHBondContact ND1-CE1 3.26Å; H287-Y363 AromaticContact ND1-CE2 3.84Å; H287-Y363 AromaticContact ND1-CG 3.76Å; H287-Y363 AromaticContact ND1-CZ 3.48Å; T359-Y363 HydrophobicContact CG2-CD2 3.96Å; T359-Y363 HydrophobicContact CG2-CE2 3.74Å; T359-Y363 WeakPolarHBondContact O-CD2 2.93Å; T359-Y363 PolarHBondContact O-N 3.1Å; K360-Y363 PolarHBondContact O-N 3.35Å; Y363-G366 PolarHBondContact O-N 3.13Å; Y363-Y367 WeakPolarHBondContact O-CB 3.35Å; Y363-Y367 PolarHBondContact O-N 2.94Å; Y363-L553 HydrophobicContact CD1-CD2 4.21Å; Y363-L553 HydrophobicContact CD2-CD2 4.1Å; Y363-L553 HydrophobicContact CE2-CD2 4.46Å; Y363-L553 HydrophobicContact CG-CD2 3.96Å; Y363-I561 HydrophobicContact CD1-CD1 4.36Å; Y363-I561 HydrophobicContact CE1-CD1 3.66Å; Y363-W573 AromaticContact CD1-CH2 3.84Å; Y363-W573 HydrophobicContact CD1-CH2 3.84Å; Y363-W573 AromaticContact CD1-CZ3 3.72Å; Y363-W573 HydrophobicContact CD1-CZ3 3.72Å; Y363-W573 HydrophobicContact CG-CH2 4.49Å; Y363-W573 HydrophobicContact CG-CZ3 4.06Å
364	F	95.2	Very high	92.3	Very high	3 Å²	3	31 Å²	31	1%	0.013	16%	0.157	C	C	.	.	H	α-helix	trans	-66.7	-39.3	179.4	-167.2	-92.1	0	0	0	112.4	V205 L348 H350 V351 K360 K361 A362 G366 Y367 M368 F568 G571 W573	V205-F364 HydrophobicContact CG2-CE1 4.08Å; V205-F364 HydrophobicContact CG2-CZ 3.8Å; L348-F364 HydrophobicContact CD1-CD1 3.85Å; L348-F364 HydrophobicContact CD2-CD1 3.63Å; L348-F364 HydrophobicContact CD2-CE1 3.67Å; L348-F364 HydrophobicContact CG-CD1 4.35Å; H350-F364 AromaticContact CE1-CE1 3.75Å; H350-F364 AromaticContact CE1-CZ 3.86Å; H350-F364 AromaticContact NE2-CE1 3.82Å; H350-F364 AromaticContact NE2-CE2 3.78Å; H350-F364 AromaticContact NE2-CZ 3.48Å; H350-F364 WeakPolarHBondContact NE2-CZ 3.39Å; V351-F364 HydrophobicContact CG2-CB 4.15Å; V351-F364 HydrophobicContact CG2-CD1 4.4Å; V351-F364 HydrophobicContact CG2-CD2 4.39Å; V351-F364 HydrophobicContact CG2-CG 4.05Å; K360-F364 PolarHBondContact O-N 3.11Å; K361-F364 PolarHBondContact O-N 3.19Å; A362-F364 PolarHBondContact O-N 3.06Å; F364-G366 VanDerWaalsContact C-N 3.33Å; F364-Y367 HydrophobicContact CE2-CD1 4.48Å; F364-Y367 WeakPolarHBondContact O-CB 3.38Å; F364-Y367 PolarHBondContact O-N 3.35Å; F364-M368 HydrophobicContact CD1-CG 4.21Å; F364-M368 HydrophobicContact CD1-SD 4.25Å; F364-M368 HydrophobicContact CE1-CG 4.02Å; F364-M368 HydrophobicContact CE1-SD 4.02Å; F364-M368 WeakPolarHBondContact O-CG 3.22Å; F364-M368 PolarHBondContact O-N 3.46Å; F364-F568 HydrophobicContact CE2-CE1 4.34Å; F364-G571 WeakPolarHBondContact CE2-O 3.35Å; F364-W573 HydrophobicContact CD2-CB 4.49Å
365	L	95.6	Very high	92.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.9	-39.5	174.4	-177.4	62.6	0	0	0	111.3	I235 V237 I269 V272 F273 L276 K361 A362 M368 V369	I235-L365 HydrophobicContact CD1-CD1 4.22Å; V237-L365 HydrophobicContact CG2-CD1 4.23Å; I269-L365 HydrophobicContact CD1-CD1 3.85Å; I269-L365 HydrophobicContact CD1-CD2 3.68Å; I269-L365 HydrophobicContact CD1-CG 3.72Å; V272-L365 HydrophobicContact CB-CD2 4.31Å; V272-L365 HydrophobicContact CG1-CD2 3.68Å; F273-L365 HydrophobicContact CE2-CD2 4.2Å; F273-L365 HydrophobicContact CE2-CG 4.29Å; F273-L365 HydrophobicContact CZ-CB 4.31Å; F273-L365 HydrophobicContact CZ-CD2 4.21Å; F273-L365 HydrophobicContact CZ-CG 4.1Å; L276-L365 HydrophobicContact CD1-CD2 4.16Å; K361-L365 VanDerWaalsContact O-CB 3.22Å; K361-L365 WeakPolarHBondContact O-CB 3.43Å; K361-L365 PolarHBondContact O-N 3.44Å; A362-L365 PolarHBondContact O-N 3.46Å; L365-M368 WeakPolarHBondContact O-CB 3.49Å; L365-M368 PolarHBondContact O-N 3.15Å; L365-V369 WeakPolarHBondContact O-CG2 3.35Å; L365-V369 PolarHBondContact O-N 3.41Å; L365-V369 VanDerWaalsContact O-N 3.11Å
366	G	94.8	Very high	93.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.2	-45.6	172.7	0	0	0	0	0	112.1	H287 A362 Y363 F364 M368 V369 H370	H287-G366 CarbonylContact O-C 3.59Å; H287-G366 VanDerWaalsContact O-CA 3.27Å; H287-G366 WeakPolarHBondContact O-CA 3.5Å; A362-G366 PolarHBondContact O-N 3.31Å; Y363-G366 PolarHBondContact O-N 3.13Å; F364-G366 VanDerWaalsContact C-N 3.33Å; G366-M368 PolarHBondContact O-N 3.21Å; G366-V369 PolarHBondContact O-N 3.26Å; G366-V369 VanDerWaalsContact O-N 3.14Å; G366-H370 WeakPolarHBondContact O-CB 3.41Å; G366-H370 PolarHBondContact O-N 2.84Å
367	Y	94.9	Very high	93.6	Very high	11 Å²	11	15.8 Å²	15.8	4%	0.043	8%	0.081	C	C	.	.	H	α-helix	trans	-59.1	-40.7	173	174	-106.6	0	0	0	113.1	V205 Y363 F364 V369 H370 R371 F568 E611	V205-Y367 HydrophobicContact CG2-CD1 4.24Å; V205-Y367 HydrophobicContact CG2-CE1 4.08Å; Y363-Y367 WeakPolarHBondContact O-CB 3.35Å; Y363-Y367 PolarHBondContact O-N 2.94Å; F364-Y367 HydrophobicContact CE2-CD1 4.48Å; F364-Y367 WeakPolarHBondContact O-CB 3.38Å; F364-Y367 PolarHBondContact O-N 3.35Å; Y367-V369 VanDerWaalsContact C-N 3.33Å; Y367-V369 PolarHBondContact O-N 3.43Å; Y367-H370 WeakPolarHBondContact O-CB 3.37Å; Y367-H370 PolarHBondContact O-N 2.98Å; Y367-R371 HydrophobicContact CE1-CG 4.41Å; Y367-R371 HydrophobicContact CE2-CG 4.04Å; Y367-R371 PolarHBondContact O-N 3.29Å; Y367-R371 WeakPolarHBondContact OH-CD 3.32Å; Y367-F568 HydrophobicContact CD1-CE1 4.29Å; Y367-F568 HydrophobicContact CD1-CZ 4.2Å; Y367-F568 HydrophobicContact CD2-CZ 4.28Å; Y367-F568 HydrophobicContact CE1-CE1 4.02Å; Y367-F568 AromaticContact CE1-CZ 3.79Å; Y367-F568 HydrophobicContact CE1-CZ 3.79Å; Y367-F568 AromaticContact CE2-CZ 3.88Å; Y367-F568 HydrophobicContact CE2-CZ 3.88Å; Y367-F568 HydrophobicContact CG-CZ 4.41Å; Y367-F568 AromaticContact CZ-CZ 3.6Å; Y367-E611 WeakPolarHBondContact CE2-OE1 3.49Å; Y367-E611 VanDerWaalsContact CZ-OE1 3.3Å; Y367-E611 PolarHBondContact OH-OE1 2.74Å; Y367-E611 PolarHBondContact OH-OE2 3.1Å
368	M	96	Very high	93.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-41.7	174.2	-72.6	-173.2	70.9	0	0	112.4	V205 C221 I235 V237 L348 F364 L365 G366 L372	V205-M368 HydrophobicContact CG1-CB 4.49Å; V205-M368 HydrophobicContact CG1-CE 4.38Å; V205-M368 HydrophobicContact CG1-CG 4.1Å; V205-M368 HydrophobicContact CG2-CG 3.61Å; C221-M368 HydrophobicContact CB-CE 3.54Å; C221-M368 HydrophobicContact CB-SD 3.94Å; I235-M368 HydrophobicContact CG2-CE 4.04Å; I235-M368 HydrophobicContact CG2-SD 4.15Å; V237-M368 HydrophobicContact CG2-CB 4.35Å; V237-M368 HydrophobicContact CG2-CE 3.88Å; V237-M368 HydrophobicContact CG2-SD 4.49Å; L348-M368 HydrophobicContact CD2-SD 4.34Å; F364-M368 HydrophobicContact CD1-CG 4.21Å; F364-M368 HydrophobicContact CD1-SD 4.25Å; F364-M368 HydrophobicContact CE1-CG 4.02Å; F364-M368 HydrophobicContact CE1-SD 4.02Å; F364-M368 WeakPolarHBondContact O-CG 3.22Å; F364-M368 PolarHBondContact O-N 3.46Å; L365-M368 WeakPolarHBondContact O-CB 3.49Å; L365-M368 PolarHBondContact O-N 3.15Å; G366-M368 PolarHBondContact O-N 3.21Å; M368-L372 PolarHBondContact O-N 2.99Å
369	V	96.1	Very high	94	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-69.6	-42.8	177.4	179.7	0	0	0	0	110	V237 I256 I269 I288 L365 G366 Y367 R371 L372 L373	V237-V369 HydrophobicContact CG1-CG2 4.05Å; I256-V369 HydrophobicContact CD1-CG1 4.14Å; I269-V369 HydrophobicContact CD1-CG2 3.85Å; I269-V369 HydrophobicContact CG1-CG2 3.72Å; I288-V369 HydrophobicContact CD1-CG1 4.38Å; I288-V369 HydrophobicContact CG1-CB 4.45Å; I288-V369 HydrophobicContact CG1-CG1 4.49Å; I288-V369 HydrophobicContact CG2-CB 4.02Å; I288-V369 HydrophobicContact CG2-CG1 3.63Å; L365-V369 WeakPolarHBondContact O-CG2 3.35Å; L365-V369 PolarHBondContact O-N 3.41Å; L365-V369 VanDerWaalsContact O-N 3.11Å; G366-V369 PolarHBondContact O-N 3.26Å; G366-V369 VanDerWaalsContact O-N 3.14Å; Y367-V369 VanDerWaalsContact C-N 3.33Å; Y367-V369 PolarHBondContact O-N 3.43Å; V369-R371 PolarHBondContact O-N 2.95Å; V369-L372 WeakPolarHBondContact O-CB 3.43Å; V369-L372 PolarHBondContact O-N 3.47Å; V369-L372 VanDerWaalsContact O-N 3.12Å; V369-L373 HydrophobicContact CG1-CD1 4.26Å; V369-L373 HydrophobicContact CG1-CG 4.42Å; V369-L373 WeakPolarHBondContact O-CG 3.43Å; V369-L373 PolarHBondContact O-N 3.42Å
370	H	94.9	Very high	94.1	Very high	28 Å²	28	19.3 Å²	19.3	13%	0.13	10%	0.104	C	C	.	.	H	α-helix	trans	-54.2	-51.7	175.7	-172.5	83.3	0	0	0	111.3	I288 Y290 M297 G366 Y367 L372 L373 L374	I288-H370 WeakPolarHBondContact O-CB 3.47Å; I288-H370 PolarHBondContact O-ND1 2.62Å; Y290-H370 AromaticContact CD2-CE1 3.83Å; Y290-H370 AromaticContact CE2-CG 3.91Å; Y290-H370 AromaticContact CE2-ND1 3.89Å; M297-H370 VanDerWaalsContact CE-CE1 3.44Å; M297-H370 WeakPolarHBondContact CE-CE1 3.43Å; G366-H370 WeakPolarHBondContact O-CB 3.41Å; G366-H370 PolarHBondContact O-N 2.84Å; Y367-H370 WeakPolarHBondContact O-CB 3.37Å; Y367-H370 PolarHBondContact O-N 2.98Å; H370-L372 VanDerWaalsContact C-N 3.3Å; H370-L372 PolarHBondContact O-N 2.9Å; H370-L373 WeakPolarHBondContact O-CB 3.12Å; H370-L373 PolarHBondContact O-N 3.3Å; H370-L373 VanDerWaalsContact O-N 3.12Å; H370-L374 WeakPolarHBondContact O-CG 3.29Å; H370-L374 PolarHBondContact O-N 3.41Å
371	R	95.2	Very high	94.2	Very high	18 Å²	18	23 Å²	23	7%	0.068	12%	0.122	C	C	.	.	H	α-helix	trans	-60.7	-37.6	176.5	-77.7	-162.9	67.2	-157.8	-4.1	113.3	V205 V207 Y367 V369 L373 L374 A375 D383	V205-R371 PolarHBondContact O-NH1 3.3Å; V207-R371 HydrophobicContact CG2-CB 4.13Å; Y367-R371 HydrophobicContact CE1-CG 4.41Å; Y367-R371 HydrophobicContact CE2-CG 4.04Å; Y367-R371 PolarHBondContact O-N 3.29Å; Y367-R371 WeakPolarHBondContact OH-CD 3.32Å; V369-R371 PolarHBondContact O-N 2.95Å; R371-L373 VanDerWaalsContact C-N 3.33Å; R371-L374 PolarHBondContact O-N 3.21Å; R371-A375 PolarHBondContact O-N 3.44Å; R371-A375 VanDerWaalsContact O-N 3.16Å; R371-D383 IonicContact CZ-OD2 3.96Å; R371-D383 IonicContact NH2-OD1 2.84Å; R371-D383 PolarHBondContact NH2-OD1 3.04Å; R371-D383 IonicContact NH2-OD2 3.49Å; R371-D383 PolarHBondContact NH2-OD2 3.27Å
372	L	95.9	Very high	94.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.7	-40	176	-175.6	66.7	0	0	0	111.6	V207 V237 M239 I256 M368 V369 H370 A376	V207-L372 HydrophobicContact CG1-CD1 3.83Å; V237-L372 HydrophobicContact CG1-CD2 3.84Å; M239-L372 HydrophobicContact CB-CD2 4.26Å; I256-L372 HydrophobicContact CG2-CD2 4.22Å; M368-L372 PolarHBondContact O-N 2.99Å; V369-L372 WeakPolarHBondContact O-CB 3.43Å; V369-L372 PolarHBondContact O-N 3.47Å; V369-L372 VanDerWaalsContact O-N 3.12Å; H370-L372 VanDerWaalsContact C-N 3.3Å; H370-L372 PolarHBondContact O-N 2.9Å; L372-A376 WeakPolarHBondContact O-CB 3.44Å; L372-A376 PolarHBondContact O-N 3.03Å
373	L	94.6	Very high	94.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.9	-45.1	176.8	-67.2	173.9	0	0	0	111.6	M239 I256 I288 M297 M300 V369 H370 R371 A375 A376 L377	M239-L373 HydrophobicContact CE-CD2 4.02Å; I256-L373 HydrophobicContact CD1-CD2 3.89Å; I288-L373 HydrophobicContact CG2-CD1 3.98Å; M297-L373 HydrophobicContact SD-CB 3.69Å; M297-L373 HydrophobicContact SD-CD1 3.91Å; M297-L373 HydrophobicContact SD-CG 4.45Å; M300-L373 HydrophobicContact CB-CD2 3.98Å; M300-L373 HydrophobicContact CG-CD2 3.58Å; M300-L373 HydrophobicContact SD-CD2 3.5Å; M300-L373 VanDerWaalsContact SD-CD2 3.5Å; V369-L373 HydrophobicContact CG1-CD1 4.26Å; V369-L373 HydrophobicContact CG1-CG 4.42Å; V369-L373 WeakPolarHBondContact O-CG 3.43Å; V369-L373 PolarHBondContact O-N 3.42Å; H370-L373 WeakPolarHBondContact O-CB 3.12Å; H370-L373 PolarHBondContact O-N 3.3Å; H370-L373 VanDerWaalsContact O-N 3.12Å; R371-L373 VanDerWaalsContact C-N 3.33Å; L373-A375 VanDerWaalsContact C-N 3.27Å; L373-A375 PolarHBondContact O-N 3.49Å; L373-A376 PolarHBondContact O-N 3.26Å; L373-A376 VanDerWaalsContact O-N 3.11Å; L373-L377 WeakPolarHBondContact O-CB 3.41Å; L373-L377 WeakPolarHBondContact O-CG 3.42Å; L373-L377 PolarHBondContact O-N 3.07Å
374	L	94.4	Very high	94.3	Very high	14 Å²	14	30.8 Å²	30.8	7%	0.073	17%	0.165	C	C	.	.	H	α-helix	trans	-57.3	-41.2	177	-67.3	-179.3	0	0	0	112.1	H370 R371 G378 R379 R380	H370-L374 WeakPolarHBondContact O-CG 3.29Å; H370-L374 PolarHBondContact O-N 3.41Å; R371-L374 PolarHBondContact O-N 3.21Å; L374-G378 PolarHBondContact O-N 2.95Å; L374-G378 VanDerWaalsContact O-N 3.17Å; L374-R379 HydrophobicContact CB-CB 4.46Å; L374-R379 HydrophobicContact CD2-CB 4.09Å; L374-R379 PolarHBondContact O-N 3.35Å; L374-R380 HydrophobicContact CB-CB 4.24Å; L374-R380 HydrophobicContact CB-CG 4Å; L374-R380 VanDerWaalsContact CD1-CD 3.45Å; L374-R380 HydrophobicContact CD1-CG 4.16Å; L374-R380 PolarHBondContact O-N 2.97Å
375	A	93.9	Very high	94.1	Very high	7 Å²	7	36.8 Å²	36.8	6%	0.058	19%	0.187	C	C	.	.	H	α-helix	trans	-70.5	-39.8	175.5	0	0	0	0	0	112.6	V207 R371 L373 L377 G378 L382	V207-A375 HydrophobicContact CB-CB 4.31Å; V207-A375 HydrophobicContact CG1-CB 3.59Å; R371-A375 PolarHBondContact O-N 3.44Å; R371-A375 VanDerWaalsContact O-N 3.16Å; L373-A375 VanDerWaalsContact C-N 3.27Å; L373-A375 PolarHBondContact O-N 3.49Å; A375-L377 VanDerWaalsContact C-N 3.33Å; A375-L377 PolarHBondContact O-N 3.19Å; A375-G378 PolarHBondContact O-N 3.41Å; A375-G378 VanDerWaalsContact O-N 3.15Å; A375-L382 HydrophobicContact CB-CD2 4.08Å
376	A	92.5	Very high	93.8	Very high	19 Å²	19	38.1 Å²	38.1	16%	0.157	19%	0.194	C	C	.	.	H	α-helix	trans	-67	-34.1	179.6	0	0	0	0	0	112.9	Y217 M239 M300 L372 L373 G378	Y217-A376 HydrophobicContact CD2-CB 3.88Å; Y217-A376 HydrophobicContact CE2-CB 3.9Å; M239-A376 HydrophobicContact CE-CB 3.62Å; M239-A376 HydrophobicContact SD-CB 3.82Å; M300-A376 HydrophobicContact CE-CB 4.17Å; M300-A376 HydrophobicContact SD-CB 3.75Å; L372-A376 WeakPolarHBondContact O-CB 3.44Å; L372-A376 PolarHBondContact O-N 3.03Å; L373-A376 PolarHBondContact O-N 3.26Å; L373-A376 VanDerWaalsContact O-N 3.11Å; A376-G378 VanDerWaalsContact C-N 3.32Å
377	L	93.7	Very high	93.8	Very high	38 Å²	38	39.1 Å²	39.1	20%	0.199	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-7.4	173.5	-67.5	176	0	0	0	113.4	E296 M297 M300 L373 A375 R379	E296-L377 HydrophobicContact CG-CD1 4.06Å; E296-L377 HydrophobicContact CG-CD2 3.63Å; E296-L377 HydrophobicContact CG-CG 4.49Å; M297-L377 HydrophobicContact CG-CD1 3.73Å; M297-L377 HydrophobicContact SD-CD1 4.43Å; M300-L377 HydrophobicContact CE-CD2 3.28Å; M300-L377 HydrophobicContact CE-CG 3.79Å; M300-L377 HydrophobicContact SD-CD2 4.16Å; M300-L377 HydrophobicContact SD-CG 4.07Å; L373-L377 WeakPolarHBondContact O-CB 3.41Å; L373-L377 WeakPolarHBondContact O-CG 3.42Å; L373-L377 PolarHBondContact O-N 3.07Å; A375-L377 VanDerWaalsContact C-N 3.33Å; A375-L377 PolarHBondContact O-N 3.19Å; L377-R379 VanDerWaalsContact C-N 3.3Å; L377-R379 HydrophobicContact CB-CG 4.18Å; L377-R379 PolarHBondContact O-N 3.22Å
378	G	92.4	Very high	93.7	Very high	60 Å²	60	38.9 Å²	38.9	62%	0.619	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	73	18	-179.2	0	0	0	0	0	114.6	L374 A375 A376 R380	L374-G378 PolarHBondContact O-N 2.95Å; L374-G378 VanDerWaalsContact O-N 3.17Å; A375-G378 PolarHBondContact O-N 3.41Å; A375-G378 VanDerWaalsContact O-N 3.15Å; A376-G378 VanDerWaalsContact C-N 3.32Å; G378-R380 VanDerWaalsContact C-N 3.32Å
379	R	93	Very high	93.6	Very high	90 Å²	90	39.1 Å²	39.1	34%	0.34	20%	0.2	S	C	.	.	S	Bend	trans	-73.4	-28.8	173.9	-62.1	-176.3	-177.1	-175.4	5.4	111.9	D294 E296 L374 L377 R608	D294-R379 VanDerWaalsContact CG-NH2 3.32Å; D294-R379 IonicContact OD1-NH2 2.88Å; D294-R379 PolarHBondContact OD1-NH2 3.49Å; D294-R379 IonicContact OD2-CZ 3.54Å; D294-R379 IonicContact OD2-NH1 3.94Å; D294-R379 PolarHBondContact OD2-NH1 3.06Å; D294-R379 IonicContact OD2-NH2 2.69Å; D294-R379 PolarHBondContact OD2-NH2 2.81Å; E296-R379 IonicContact OE2-CZ 3.51Å; E296-R379 IonicContact OE2-NE 2.68Å; E296-R379 IonicContact OE2-NH2 3.82Å; E296-R379 PolarHBondContact OE2-NH2 3.44Å; L374-R379 HydrophobicContact CB-CB 4.46Å; L374-R379 HydrophobicContact CD2-CB 4.09Å; L374-R379 PolarHBondContact O-N 3.35Å; L377-R379 VanDerWaalsContact C-N 3.3Å; L377-R379 HydrophobicContact CB-CG 4.18Å; L377-R379 PolarHBondContact O-N 3.22Å; R379-R608 PolarHBondContact O-NH2 2.86Å; R379-R608 VanDerWaalsContact O-NH2 3.15Å
380	R	91.4	Very high	93.5	Very high	35 Å²	35	40.1 Å²	40.1	13%	0.132	21%	0.206	C	C	.	.	S	Bend	trans	-123.3	149.2	172.7	-71.8	179.5	75.6	158.1	-1.6	111	L374 G378 E609 E611	L374-R380 HydrophobicContact CB-CB 4.24Å; L374-R380 HydrophobicContact CB-CG 4Å; L374-R380 VanDerWaalsContact CD1-CD 3.45Å; L374-R380 HydrophobicContact CD1-CG 4.16Å; L374-R380 PolarHBondContact O-N 2.97Å; G378-R380 VanDerWaalsContact C-N 3.32Å; R380-E609 VanDerWaalsContact CD-CD 3.42Å; R380-E609 VanDerWaalsContact CD-OE1 3.28Å; R380-E609 WeakPolarHBondContact CD-OE1 3.36Å; R380-E609 WeakPolarHBondContact CD-OE2 3.43Å; R380-E609 WeakPolarHBondContact CG-OE1 3.42Å; R380-E609 IonicContact CZ-OE1 3.81Å; R380-E609 IonicContact CZ-OE2 3.3Å; R380-E609 VanDerWaalsContact NE-CD 3.33Å; R380-E609 IonicContact NE-OE1 3.96Å; R380-E609 PolarHBondContact NE-OE1 3.47Å; R380-E609 IonicContact NE-OE2 3.85Å; R380-E609 PolarHBondContact NE-OE2 2.61Å; R380-E609 IonicContact NH1-OE2 3.43Å; R380-E609 PolarHBondContact NH1-OE2 3.47Å; R380-E611 IonicContact NH1-OE1 3.68Å
381	E	93.7	Very high	93.5	Very high	148 Å²	148	40 Å²	40	69%	0.692	21%	0.205	S	C	*	.	P	Polyproline II helix	trans	-70	164.2	165.8	56.8	-110.9	-166.1	0	0	112.6	R608	E381-R608 IonicContact OE2-NH1 3.31Å
382	L	95.2	Very high	93.4	Very high	75 Å²	75	39.5 Å²	39.5	39%	0.393	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-76.3	147.8	172.7	-60	171.6	0	0	0	109.9	V207 A209 Y217 A375	V207-L382 HydrophobicContact CG1-CD2 4.21Å; A209-L382 HydrophobicContact CB-CD1 3.53Å; A209-L382 HydrophobicContact CB-CD2 4.5Å; Y217-L382 HydrophobicContact CD1-CD2 4.04Å; Y217-L382 HydrophobicContact CE1-CD2 4.1Å; A375-L382 HydrophobicContact CB-CD2 4.08Å
383	D	94.1	Very high	93.4	Very high	38 Å²	38	39.6 Å²	39.6	20%	0.203	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-70.2	141.5	178	-64.2	-58.2	0	0	0	111.1	Y206 V207 F208 R371	Y206-D383 WeakPolarHBondContact CA-OD2 3.44Å; Y206-D383 HydrophobicContact CD1-CB 4.09Å; V207-D383 PolarHBondContact N-OD2 2.97Å; V207-D383 PolarHBondContact O-N 3.33Å; V207-D383 VanDerWaalsContact O-N 3.08Å; F208-D383 WeakPolarHBondContact CD1-O 3.32Å; F208-D383 HydrophobicContact CE1-CB 4.17Å; F208-D383 VanDerWaalsContact CE1-O 3.25Å; F208-D383 WeakPolarHBondContact CE1-O 3.25Å; R371-D383 IonicContact CZ-OD2 3.96Å; R371-D383 IonicContact NH2-OD1 2.84Å; R371-D383 PolarHBondContact NH2-OD1 3.04Å; R371-D383 IonicContact NH2-OD2 3.49Å; R371-D383 PolarHBondContact NH2-OD2 3.27Å
384	D	93.2	Very high	93.3	Very high	63 Å²	63	40.6 Å²	40.6	34%	0.337	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-86	128.5	172.8	-179.6	30.2	0	0	0	111.6	D386 H387 N390 H502	D384-D386 VanDerWaalsContact C-N 3.35Å; D384-D386 PolarHBondContact OD1-N 2.95Å; D384-D386 PolarHBondContact OD2-N 2.91Å; D384-H387 HydrophobicContact CB-CB 4.19Å; D384-H387 PolarHBondContact OD2-N 3.49Å; D384-N390 PolarHBondContact O-ND2 3.12Å; D384-H502 IonicContact OD2-CD2 3.94Å; D384-H502 IonicContact OD2-CE1 3.75Å; D384-H502 IonicContact OD2-NE2 3.8Å; D384-H502 PolarHBondContact OD2-NE2 3.19Å; D384-H502 VanDerWaalsContact OD2-NE2 3.09Å
385	R	89.9	Confident	93.3	Very high	128 Å²	128	40.1 Å²	40.1	48%	0.483	21%	0.206	S	C	.	.	S	Bend	trans	-76.9	-25.8	177.6	-174.8	175.5	-70.2	-166	-2.9	111.8	M200 F208 K391	M200-R385 HydrophobicContact CE-CG 3.68Å; F208-R385 HydrophobicContact CE1-CB 4.11Å; F208-R385 HydrophobicContact CZ-CB 4.31Å; R385-K391 WeakPolarHBondContact O-CE 3.16Å; R385-K391 PolarHBondContact O-NZ 3.12Å
386	D	91	Very high	93.2	Very high	29 Å²	29	39.9 Å²	39.9	16%	0.155	20%	0.204	C	C	.	.	S	Bend	trans	-84	-25.9	-177	-76.5	-29.6	0	0	0	113.1	D384 Y388 K391	D384-D386 VanDerWaalsContact C-N 3.35Å; D384-D386 PolarHBondContact OD1-N 2.95Å; D384-D386 PolarHBondContact OD2-N 2.91Å; D386-Y388 PolarHBondContact O-N 3.39Å; D386-K391 PolarHBondContact O-NZ 3.25Å; D386-K391 IonicContact OD1-NZ 2.8Å
387	H	94.8	Very high	93.2	Very high	21 Å²	21	39 Å²	39	10%	0.097	20%	0.197	C	C	.	.			trans	-41.2	120.2	169.5	-159.6	-83.8	0	0	0	112.9	D384 G389 N390 T504 E671	D384-H387 HydrophobicContact CB-CB 4.19Å; D384-H387 PolarHBondContact OD2-N 3.49Å; H387-G389 PolarHBondContact ND1-N 2.94Å; H387-G389 VanDerWaalsContact ND1-N 3.15Å; H387-N390 HydrophobicContact CB-CB 4.46Å; H387-N390 WeakPolarHBondContact O-CB 3.15Å; H387-N390 PolarHBondContact O-N 2.92Å; H387-T504 WeakPolarHBondContact CD2-CG2 3.41Å; H387-T504 WeakPolarHBondContact NE2-CG2 3.44Å; H387-E671 IonicContact CD2-OE1 3.26Å; H387-E671 IonicContact CE1-OE1 2.68Å; H387-E671 PolarHBondContact CE1-OE1 2.73Å; H387-E671 IonicContact ND1-OE1 3.38Å; H387-E671 IonicContact NE2-OE1 2.75Å; H387-E671 PolarHBondContact NE2-OE1 2.88Å
388	Y	92.6	Very high	93.1	Very high	6 Å²	6	39.3 Å²	39.3	2%	0.024	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-76.4	-23.7	-173.6	-135.2	-107.5	0	0	0	113	E198 D386 N390 K391 L393 L485 T504 L505 V509 I621	E198-Y388 WeakPolarHBondContact OE1-CE2 3.48Å; E198-Y388 PolarHBondContact OE1-OH 3.4Å; D386-Y388 PolarHBondContact O-N 3.39Å; Y388-N390 PolarHBondContact O-N 3.3Å; Y388-K391 HydrophobicContact CD2-CD 3.84Å; Y388-K391 HydrophobicContact CE2-CD 4.06Å; Y388-K391 WeakPolarHBondContact O-CA 3.18Å; Y388-K391 WeakPolarHBondContact O-CB 3.41Å; Y388-K391 PolarHBondContact O-N 3.13Å; Y388-L393 HydrophobicContact CE1-CD2 4.35Å; Y388-L485 WeakPolarHBondContact OH-CD1 3.24Å; Y388-T504 PolarHBondContact N-OG1 2.89Å; Y388-L505 HydrophobicContact CD1-CD2 4.46Å; Y388-L505 HydrophobicContact CD2-CD2 3.67Å; Y388-L505 HydrophobicContact CE2-CD2 3.91Å; Y388-L505 HydrophobicContact CG-CD2 3.97Å; Y388-V509 HydrophobicContact CE1-CG2 4.4Å; Y388-I621 HydrophobicContact CD1-CG2 4.01Å; Y388-I621 HydrophobicContact CE1-CG2 4.4Å
389	G	92.4	Very high	93	Very high	5 Å²	5	37 Å²	37	5%	0.052	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-62.4	-23.6	169.5	0	0	0	0	0	113.5	H387 K391 R392	H387-G389 PolarHBondContact ND1-N 2.94Å; H387-G389 VanDerWaalsContact ND1-N 3.15Å; G389-K391 VanDerWaalsContact C-N 3.28Å; G389-R392 PolarHBondContact O-NH1 2.75Å
390	N	94.3	Very high	93	Very high	21 Å²	21	33.1 Å²	33.1	11%	0.112	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-87.4	2.2	174.3	-64.3	-22.3	0	0	0	112.4	M200 A201 Y206 D384 H387 Y388	M200-N390 HydrophobicContact SD-CB 4.26Å; A201-N390 WeakPolarHBondContact CB-O 3.46Å; A201-N390 PolarHBondContact N-O 3.48Å; Y206-N390 HydrophobicContact CE1-CB 3.75Å; Y206-N390 VanDerWaalsContact CE1-CG 3.45Å; Y206-N390 WeakPolarHBondContact OH-CA 3.47Å; Y206-N390 WeakPolarHBondContact OH-CB 3.24Å; Y206-N390 PolarHBondContact OH-O 3.38Å; D384-N390 PolarHBondContact O-ND2 3.12Å; H387-N390 HydrophobicContact CB-CB 4.46Å; H387-N390 WeakPolarHBondContact O-CB 3.15Å; H387-N390 PolarHBondContact O-N 2.92Å; Y388-N390 PolarHBondContact O-N 3.3Å
391	K	94.5	Very high	93	Very high	26 Å²	26	32 Å²	32	11%	0.113	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	159.3	178.4	-65.5	172.5	-176.6	162.9	0	110.2	K199 R385 D386 Y388 G389	K199-K391 CarbonylContact O-C 3.34Å; K199-K391 WeakPolarHBondContact O-CA 3.36Å; K199-K391 WeakPolarHBondContact O-CB 3.42Å; R385-K391 WeakPolarHBondContact O-CE 3.16Å; R385-K391 PolarHBondContact O-NZ 3.12Å; D386-K391 PolarHBondContact O-NZ 3.25Å; D386-K391 IonicContact OD1-NZ 2.8Å; Y388-K391 HydrophobicContact CD2-CD 3.84Å; Y388-K391 HydrophobicContact CE2-CD 4.06Å; Y388-K391 WeakPolarHBondContact O-CA 3.18Å; Y388-K391 WeakPolarHBondContact O-CB 3.41Å; Y388-K391 PolarHBondContact O-N 3.13Å; G389-K391 VanDerWaalsContact C-N 3.28Å
392	R	94.2	Very high	92.8	Very high	6 Å²	6	31 Å²	31	2%	0.023	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	151.6	171.8	-64	-65.6	-179.1	-93.2	5.1	109.5	K199 A201 G389 D617 G619 R620	K199-R392 HydrophobicContact CG-CB 4.12Å; K199-R392 PolarHBondContact N-O 3.48Å; K199-R392 PolarHBondContact O-N 3.34Å; A201-R392 HydrophobicContact CB-CG 3.9Å; G389-R392 PolarHBondContact O-NH1 2.75Å; R392-D617 IonicContact CZ-OD1 3.88Å; R392-D617 IonicContact CZ-OD2 2.68Å; R392-D617 IonicContact NE-OD1 2.77Å; R392-D617 PolarHBondContact NE-OD1 2.9Å; R392-D617 IonicContact NE-OD2 2.76Å; R392-D617 PolarHBondContact NE-OD2 3.45Å; R392-D617 IonicContact NH2-OD1 3.57Å; R392-D617 PolarHBondContact NH2-OD1 2.92Å; R392-D617 IonicContact NH2-OD2 2.74Å; R392-D617 PolarHBondContact NH2-OD2 3.02Å; R392-G619 CarbonylContact C-O 3.59Å; R392-G619 WeakPolarHBondContact CA-O 3.21Å; R392-R620 VanDerWaalsContact CZ-CG 3.47Å; R392-R620 VanDerWaalsContact NE-CG 3.26Å
393	L	95.1	Very high	92.6	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	109.7	178.6	-61.4	178.1	0	0	0	109.5	E198 Y388 L395 L485 I532 G619 I621	E198-L393 HydrophobicContact CB-CD2 4.4Å; E198-L393 HydrophobicContact CG-CD2 3.7Å; Y388-L393 HydrophobicContact CE1-CD2 4.35Å; L393-L395 PolarHBondContact O-N 2.86Å; L393-L485 HydrophobicContact CD1-CD1 4.09Å; L393-L485 HydrophobicContact CD1-CD2 3.93Å; L393-L485 HydrophobicContact CD2-CD1 4.22Å; L393-L485 HydrophobicContact CD2-CD2 4.19Å; L393-I532 HydrophobicContact CB-CD1 4.43Å; L393-I532 HydrophobicContact CB-CG2 4.48Å; L393-I532 HydrophobicContact CD1-CD1 3.6Å; L393-I532 HydrophobicContact CD1-CG1 4.1Å; L393-G619 PolarHBondContact N-O 3.14Å; L393-G619 VanDerWaalsContact O-CA 3.22Å; L393-G619 WeakPolarHBondContact O-CA 3.38Å; L393-I621 HydrophobicContact CD1-CB 4.41Å; L393-I621 HydrophobicContact CD1-CD1 4.1Å
394	D	93.5	Very high	92.5	Very high	20 Å²	20	26.1 Å²	26.1	11%	0.107	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	107.9	170.3	-70.4	-27.8	0	0	0	108.9	A196 Q197 K199 L399	A196-D394 WeakPolarHBondContact CA-O 3.24Å; Q197-D394 HydrophobicContact CB-CB 4.42Å; Q197-D394 PolarHBondContact N-O 2.99Å; Q197-D394 PolarHBondContact O-N 3.14Å; K199-D394 WeakPolarHBondContact CD-OD2 3.47Å; K199-D394 WeakPolarHBondContact CE-OD1 3.38Å; K199-D394 IonicContact NZ-OD1 3.02Å; K199-D394 PolarHBondContact NZ-OD1 2.99Å; K199-D394 IonicContact NZ-OD2 3.41Å; D394-L399 HydrophobicContact CB-CD2 3.99Å; D394-L399 HydrophobicContact CB-CG 4.06Å
395	L	94.1	Very high	92.3	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.026	12%	0.119	C	C	.	.			trans	-85.4	-173.3	174.8	-67.5	-178.4	0	0	0	112.2	Q42 S46 A196 L393 G397 L399 I532	Q42-L395 HydrophobicContact CB-CD1 4.16Å; Q42-L395 WeakPolarHBondContact O-CD1 3.18Å; S46-L395 VanDerWaalsContact OG-CB 3.3Å; S46-L395 WeakPolarHBondContact OG-CB 3.21Å; A196-L395 HydrophobicContact CB-CD2 3.69Å; L393-L395 PolarHBondContact O-N 2.86Å; L395-G397 VanDerWaalsContact C-N 3.27Å; L395-G397 PolarHBondContact O-N 3.05Å; L395-L399 WeakPolarHBondContact O-CB 3.28Å; L395-L399 WeakPolarHBondContact O-CD1 3.39Å; L395-L399 WeakPolarHBondContact O-CG 3.46Å; L395-L399 PolarHBondContact O-N 2.92Å; L395-I532 HydrophobicContact CD1-CB 3.89Å; L395-I532 HydrophobicContact CD1-CD1 4.13Å; L395-I532 HydrophobicContact CD1-CG2 3.57Å; L395-I532 HydrophobicContact CD2-CD1 3.83Å; L395-I532 HydrophobicContact CG-CD1 4.33Å; L395-I532 HydrophobicContact CG-CG2 4.13Å
396	A	92.3	Very high	92.2	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-52.2	-42.3	-180	0	0	0	0	0	113.1	M155 L194 L400	M155-A396 HydrophobicContact CE-CB 3.82Å; L194-A396 HydrophobicContact CB-CB 4.47Å; L194-A396 HydrophobicContact CD1-CB 3.95Å; A396-L400 VanDerWaalsContact O-CB 3.28Å; A396-L400 WeakPolarHBondContact O-CB 3.38Å; A396-L400 WeakPolarHBondContact O-CG 3.46Å; A396-L400 PolarHBondContact O-N 3.5Å
397	G	91.9	Very high	92.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.2	-64.6	-177.7	0	0	0	0	0	113.3	S46 L395 L399 L400 A401	S46-G397 WeakPolarHBondContact O-CA 3.27Å; S46-G397 WeakPolarHBondContact OG-CA 3.35Å; S46-G397 PolarHBondContact OG-N 2.89Å; L395-G397 VanDerWaalsContact C-N 3.27Å; L395-G397 PolarHBondContact O-N 3.05Å; G397-L399 VanDerWaalsContact C-N 3.25Å; G397-L399 PolarHBondContact O-N 3.23Å; G397-L400 PolarHBondContact O-N 3.24Å; G397-L400 VanDerWaalsContact O-N 3.09Å; G397-A401 WeakPolarHBondContact O-CB 3.44Å; G397-A401 PolarHBondContact O-N 2.8Å
398	P	90.9	Very high	92.1	Very high	45 Å²	45	20.5 Å²	20.5	29%	0.292	11%	0.114	S	C	.	.	H	α-helix	trans	-56	-36.5	178	-28	35.4	0	0	0	113.9	S46 F402	S46-P398 WeakPolarHBondContact OG-CD 3.47Å; P398-F402 WeakPolarHBondContact O-CB 3.17Å; P398-F402 PolarHBondContact O-N 3.08Å
399	L	91.7	Very high	92.1	Very high	12 Å²	12	27.3 Å²	27.3	6%	0.063	14%	0.143	C	C	.	.	H	α-helix	trans	-66.2	-42.2	177.2	-70.4	173.3	0	0	0	112.4	Q197 D394 L395 G397 L403 W453 V466	Q197-L399 HydrophobicContact CG-CD1 4.34Å; Q197-L399 HydrophobicContact CG-CD2 4.26Å; D394-L399 HydrophobicContact CB-CD2 3.99Å; D394-L399 HydrophobicContact CB-CG 4.06Å; L395-L399 WeakPolarHBondContact O-CB 3.28Å; L395-L399 WeakPolarHBondContact O-CD1 3.39Å; L395-L399 WeakPolarHBondContact O-CG 3.46Å; L395-L399 PolarHBondContact O-N 2.92Å; G397-L399 VanDerWaalsContact C-N 3.25Å; G397-L399 PolarHBondContact O-N 3.23Å; L399-L403 PolarHBondContact O-N 3.21Å; L399-W453 HydrophobicContact CB-CZ2 3.82Å; L399-W453 PolarHBondContact O-NE1 2.96Å; L399-V466 HydrophobicContact CD1-CG1 3.79Å
400	L	92.6	Very high	92	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.042	16%	0.159	C	C	.	.	H	α-helix	trans	-73.2	-38	176.5	-72.8	172.9	0	0	0	111.7	F47 F50 F185 L194 A396 G397 F402 L403 F404 L448 W453	F47-L400 HydrophobicContact CD2-CD1 3.73Å; F47-L400 HydrophobicContact CE2-CD1 3.83Å; F50-L400 HydrophobicContact CD1-CB 4.3Å; F50-L400 HydrophobicContact CD1-CD1 4.31Å; F50-L400 HydrophobicContact CD2-CB 4.1Å; F50-L400 HydrophobicContact CE1-CB 4.02Å; F50-L400 HydrophobicContact CE1-CD1 4.23Å; F50-L400 HydrophobicContact CE2-CB 3.84Å; F50-L400 HydrophobicContact CG-CB 4.35Å; F50-L400 HydrophobicContact CZ-CB 3.79Å; F185-L400 HydrophobicContact CZ-CD1 3.99Å; L194-L400 HydrophobicContact CD1-CD1 4.29Å; L194-L400 HydrophobicContact CD1-CD2 4.37Å; L194-L400 HydrophobicContact CD1-CG 4.12Å; A396-L400 VanDerWaalsContact O-CB 3.28Å; A396-L400 WeakPolarHBondContact O-CB 3.38Å; A396-L400 WeakPolarHBondContact O-CG 3.46Å; A396-L400 PolarHBondContact O-N 3.5Å; G397-L400 PolarHBondContact O-N 3.24Å; G397-L400 VanDerWaalsContact O-N 3.09Å; L400-F402 VanDerWaalsContact C-N 3.32Å; L400-F402 PolarHBondContact O-N 3.34Å; L400-L403 PolarHBondContact O-N 3.1Å; L400-L403 VanDerWaalsContact O-N 3.14Å; L400-F404 VanDerWaalsContact O-CB 3.29Å; L400-F404 WeakPolarHBondContact O-CB 3.39Å; L400-F404 PolarHBondContact O-N 3.5Å; L400-L448 HydrophobicContact CD2-CD2 4.25Å; L400-W453 HydrophobicContact CD2-CH2 4.31Å; L400-W453 HydrophobicContact CD2-CZ2 4.13Å
401	A	91.3	Very high	92	Very high	11 Å²	11	29.5 Å²	29.5	9%	0.091	15%	0.154	C	C	.	.	H	α-helix	trans	-56.5	-45.7	172.9	0	0	0	0	0	111.5	F50 I58 G397 L403 R405	F50-A401 HydrophobicContact CD2-CB 4Å; F50-A401 HydrophobicContact CE2-CB 4.2Å; I58-A401 HydrophobicContact CD1-CB 3.97Å; G397-A401 WeakPolarHBondContact O-CB 3.44Å; G397-A401 PolarHBondContact O-N 2.8Å; A401-L403 PolarHBondContact O-N 3.02Å; A401-R405 WeakPolarHBondContact O-CB 3.47Å; A401-R405 PolarHBondContact O-N 2.53Å; A401-R405 VanDerWaalsContact O-N 3.08Å; A401-R405 PolarHBondContact O-NH1 3.01Å
402	F	89.6	Confident	91.9	Very high	129 Å²	129	29.2 Å²	29.2	57%	0.566	15%	0.153	S	C	*	.	H	α-helix	trans	-59.5	-45.4	174.7	175.2	-101.4	0	0	0	112.3	P398 L400 G406	P398-F402 WeakPolarHBondContact O-CB 3.17Å; P398-F402 PolarHBondContact O-N 3.08Å; L400-F402 VanDerWaalsContact C-N 3.32Å; L400-F402 PolarHBondContact O-N 3.34Å; F402-G406 PolarHBondContact O-N 3.37Å
403	L	90.3	Very high	91.8	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-70.3	-49	-177	-171.8	67.4	0	0	0	112.3	L399 L400 A401 R405 G406 M407 L444 W453	L399-L403 PolarHBondContact O-N 3.21Å; L400-L403 PolarHBondContact O-N 3.1Å; L400-L403 VanDerWaalsContact O-N 3.14Å; A401-L403 PolarHBondContact O-N 3.02Å; L403-R405 VanDerWaalsContact C-N 3.34Å; L403-R405 PolarHBondContact O-N 3.37Å; L403-G406 PolarHBondContact O-N 2.81Å; L403-M407 HydrophobicContact CD1-CE 3.6Å; L403-M407 HydrophobicContact CD2-CE 4Å; L403-M407 HydrophobicContact CG-CE 3.59Å; L403-M407 HydrophobicContact CG-SD 4.33Å; L403-M407 WeakPolarHBondContact O-CG 3.3Å; L403-M407 PolarHBondContact O-N 2.76Å; L403-M407 VanDerWaalsContact O-N 3.12Å; L403-L444 HydrophobicContact CD2-CD2 3.65Å; L403-L444 HydrophobicContact CG-CD2 4.05Å; L403-W453 HydrophobicContact CD2-CZ2 4.32Å
404	F	92.3	Very high	91.7	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	19%	0.191	C	C	.	.	H	α-helix	trans	-58.9	-46	179.5	178.9	-102.6	0	0	0	110.9	F50 V55 I58 V59 L124 I152 L400 G406 M407 F408 I440	F50-F404 HydrophobicContact CE2-CB 4.45Å; F50-F404 HydrophobicContact CZ-CB 4.39Å; V55-F404 HydrophobicContact CG1-CD1 4.48Å; V55-F404 HydrophobicContact CG1-CE1 3.86Å; V55-F404 HydrophobicContact CG1-CZ 4.07Å; I58-F404 HydrophobicContact CD1-CD1 4.29Å; I58-F404 HydrophobicContact CG2-CD1 3.99Å; I58-F404 HydrophobicContact CG2-CE1 4.13Å; V59-F404 HydrophobicContact CG2-CE1 4.38Å; L124-F404 HydrophobicContact CD2-CE2 4.04Å; L124-F404 HydrophobicContact CD2-CZ 4.1Å; I152-F404 HydrophobicContact CD1-CD2 4.47Å; I152-F404 HydrophobicContact CD1-CE2 4.18Å; L400-F404 VanDerWaalsContact O-CB 3.29Å; L400-F404 WeakPolarHBondContact O-CB 3.39Å; L400-F404 PolarHBondContact O-N 3.5Å; F404-G406 VanDerWaalsContact C-N 3.32Å; F404-G406 PolarHBondContact O-N 3Å; F404-M407 PolarHBondContact O-N 3.31Å; F404-M407 VanDerWaalsContact O-N 3.12Å; F404-F408 HydrophobicContact CE1-CB 4.37Å; F404-F408 HydrophobicContact CZ-CD2 4.44Å; F404-F408 WeakPolarHBondContact O-CB 3.47Å; F404-F408 PolarHBondContact O-N 2.88Å; F404-I440 HydrophobicContact CD2-CG2 4.32Å; F404-I440 HydrophobicContact CE2-CD1 4.33Å; F404-I440 HydrophobicContact CE2-CG2 4.1Å
405	R	89.1	Confident	91.7	Very high	49 Å²	49	36.7 Å²	36.7	19%	0.185	19%	0.186	C	C	.	.	H	α-helix	trans	-57.3	-43.8	177.4	-174.9	-173.6	-78.2	110.3	-11.6	112.7	I58 N227 S229 A401 L403 M407 F408 K409	I58-R405 HydrophobicContact CD1-CB 4.32Å; I58-R405 HydrophobicContact CG2-CB 3.93Å; I58-R405 HydrophobicContact CG2-CG 4.01Å; N227-R405 PolarHBondContact O-NH2 2.68Å; S229-R405 VanDerWaalsContact CA-CD 3.45Å; A401-R405 WeakPolarHBondContact O-CB 3.47Å; A401-R405 PolarHBondContact O-N 2.53Å; A401-R405 VanDerWaalsContact O-N 3.08Å; A401-R405 PolarHBondContact O-NH1 3.01Å; L403-R405 VanDerWaalsContact C-N 3.34Å; L403-R405 PolarHBondContact O-N 3.37Å; R405-M407 VanDerWaalsContact C-N 3.35Å; R405-M407 PolarHBondContact O-N 3Å; R405-F408 PolarHBondContact O-N 2.82Å; R405-K409 WeakPolarHBondContact O-CB 3.5Å; R405-K409 PolarHBondContact O-N 3.07Å
406	G	88.7	Confident	91.6	Very high	47 Å²	47	43.1 Å²	43.1	49%	0.485	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-41.5	176.5	0	0	0	0	0	112.7	F402 L403 F404 N410	F402-G406 PolarHBondContact O-N 3.37Å; L403-G406 PolarHBondContact O-N 2.81Å; F404-G406 VanDerWaalsContact C-N 3.32Å; F404-G406 PolarHBondContact O-N 3Å; G406-N410 PolarHBondContact O-N 2.79Å
407	M	91.1	Very high	91.6	Very high	21 Å²	21	46.3 Å²	46.3	10%	0.103	23%	0.226	C	C	.	.	H	α-helix	trans	-70.9	-41.5	178	-66.6	176.4	-176.5	0	0	112.3	L403 F404 R405 N410 L411 I440 G443 L444	L403-M407 HydrophobicContact CD1-CE 3.6Å; L403-M407 HydrophobicContact CD2-CE 4Å; L403-M407 HydrophobicContact CG-CE 3.59Å; L403-M407 HydrophobicContact CG-SD 4.33Å; L403-M407 WeakPolarHBondContact O-CG 3.3Å; L403-M407 PolarHBondContact O-N 2.76Å; L403-M407 VanDerWaalsContact O-N 3.12Å; F404-M407 PolarHBondContact O-N 3.31Å; F404-M407 VanDerWaalsContact O-N 3.12Å; R405-M407 VanDerWaalsContact C-N 3.35Å; R405-M407 PolarHBondContact O-N 3Å; M407-N410 WeakPolarHBondContact O-CB 3.1Å; M407-N410 PolarHBondContact O-N 3.04Å; M407-N410 VanDerWaalsContact O-N 3.13Å; M407-L411 PolarHBondContact O-N 2.98Å; M407-I440 HydrophobicContact CB-CG1 4.25Å; M407-G443 WeakPolarHBondContact CE-O 3.43Å; M407-L444 HydrophobicContact CE-CD2 4.39Å; M407-L444 HydrophobicContact SD-CD2 3.87Å; M407-L444 HydrophobicContact SD-CG 3.87Å
408	F	92.3	Very high	91.7	Very high	6 Å²	6	49 Å²	49	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-43.6	177.6	-170.8	-112.6	0	0	0	111.2	V59 A62 F88 F404 R405 N410 L411 L412 I440	V59-F408 HydrophobicContact CB-CE1 4.43Å; V59-F408 HydrophobicContact CB-CZ 4.42Å; V59-F408 HydrophobicContact CG1-CE1 4.41Å; V59-F408 HydrophobicContact CG1-CZ 4.06Å; V59-F408 HydrophobicContact CG2-CE1 4.18Å; V59-F408 HydrophobicContact CG2-CE2 4.35Å; V59-F408 HydrophobicContact CG2-CZ 4.02Å; A62-F408 HydrophobicContact CB-CD1 4.32Å; A62-F408 HydrophobicContact CB-CE1 3.83Å; F88-F408 HydrophobicContact CB-CZ 4.48Å; F88-F408 HydrophobicContact CD1-CZ 4.34Å; F88-F408 HydrophobicContact CG-CZ 4.22Å; F404-F408 HydrophobicContact CE1-CB 4.37Å; F404-F408 HydrophobicContact CZ-CD2 4.44Å; F404-F408 WeakPolarHBondContact O-CB 3.47Å; F404-F408 PolarHBondContact O-N 2.88Å; R405-F408 PolarHBondContact O-N 2.82Å; F408-N410 PolarHBondContact O-N 2.98Å; F408-L411 HydrophobicContact CD2-CD2 4.16Å; F408-L411 HydrophobicContact CE2-CD2 4.23Å; F408-L411 WeakPolarHBondContact O-CA 3.46Å; F408-L411 VanDerWaalsContact O-CB 3.32Å; F408-L411 WeakPolarHBondContact O-CB 3.42Å; F408-L411 PolarHBondContact O-N 3.19Å; F408-L411 VanDerWaalsContact O-N 3.07Å; F408-L412 HydrophobicContact CD1-CD1 4.02Å; F408-L412 HydrophobicContact CD1-CG 4.35Å; F408-L412 HydrophobicContact CE1-CD1 3.81Å; F408-L412 HydrophobicContact CE1-CD2 4.21Å; F408-L412 HydrophobicContact CE1-CG 4.13Å; F408-L412 HydrophobicContact CZ-CD1 4.49Å; F408-L412 HydrophobicContact CZ-CD2 4.08Å; F408-L412 HydrophobicContact CZ-CG 4.39Å; F408-L412 WeakPolarHBondContact O-CG 3.26Å; F408-L412 PolarHBondContact O-N 3.1Å; F408-I440 HydrophobicContact CD2-CD1 4.29Å
409	K	90.9	Very high	91.7	Very high	148 Å²	148	46.9 Å²	46.9	64%	0.643	22%	0.223	S	C	*	.	H	α-helix	trans	-58.6	-36.7	172.4	-174.4	173.6	-177	169.8	0	112.7	R405 K413	R405-K409 WeakPolarHBondContact O-CB 3.5Å; R405-K409 PolarHBondContact O-N 3.07Å; K409-K413 PolarHBondContact O-N 2.78Å; K409-K413 VanDerWaalsContact O-N 3.15Å
410	N	91.6	Very high	91.6	Very high	73 Å²	73	48 Å²	48	39%	0.39	23%	0.227	S	C	.	.	H	α-helix	trans	-70.6	-37.8	175.8	-163.8	37	0	0	0	111.9	G406 M407 F408 K413 E414	G406-N410 PolarHBondContact O-N 2.79Å; M407-N410 WeakPolarHBondContact O-CB 3.1Å; M407-N410 PolarHBondContact O-N 3.04Å; M407-N410 VanDerWaalsContact O-N 3.13Å; F408-N410 PolarHBondContact O-N 2.98Å; N410-K413 PolarHBondContact O-N 2.96Å; N410-E414 PolarHBondContact O-N 2.9Å
411	L	93.4	Very high	91.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-50.4	171.9	-177.7	76.2	0	0	0	110.9	I149 M407 F408 K413 E414 V415 I435 K436 I439 I440	I149-L411 HydrophobicContact CD1-CD2 4.37Å; I149-L411 HydrophobicContact CG2-CD2 3.88Å; M407-L411 PolarHBondContact O-N 2.98Å; F408-L411 HydrophobicContact CD2-CD2 4.16Å; F408-L411 HydrophobicContact CE2-CD2 4.23Å; F408-L411 WeakPolarHBondContact O-CA 3.46Å; F408-L411 VanDerWaalsContact O-CB 3.32Å; F408-L411 WeakPolarHBondContact O-CB 3.42Å; F408-L411 PolarHBondContact O-N 3.19Å; F408-L411 VanDerWaalsContact O-N 3.07Å; L411-K413 PolarHBondContact O-N 3.47Å; L411-E414 PolarHBondContact O-N 3.34Å; L411-E414 VanDerWaalsContact O-N 3.07Å; L411-V415 HydrophobicContact CG-CG2 4.5Å; L411-V415 WeakPolarHBondContact O-CG2 3.39Å; L411-V415 PolarHBondContact O-N 3.32Å; L411-I435 HydrophobicContact CD1-CG2 4.45Å; L411-K436 WeakPolarHBondContact CD1-O 3.19Å; L411-I439 HydrophobicContact CD1-CD1 4.31Å; L411-I440 HydrophobicContact CD2-CD1 3.84Å
412	L	92.8	Very high	91.4	Very high	19 Å²	19	55.7 Å²	55.7	10%	0.099	26%	0.259	C	S	.	.	H	α-helix	trans	-57.2	-39.2	178	-64.9	175.1	0	0	0	111.9	A62 I65 F88 F408 V415 R416	A62-L412 HydrophobicContact CB-CD1 3.75Å; I65-L412 HydrophobicContact CD1-CB 4.2Å; I65-L412 HydrophobicContact CD1-CD2 3.87Å; I65-L412 HydrophobicContact CG1-CD2 4.29Å; F88-L412 HydrophobicContact CD2-CD2 3.69Å; F88-L412 HydrophobicContact CE2-CD2 3.18Å; F88-L412 HydrophobicContact CZ-CD2 3.66Å; F408-L412 HydrophobicContact CD1-CD1 4.02Å; F408-L412 HydrophobicContact CD1-CG 4.35Å; F408-L412 HydrophobicContact CE1-CD1 3.81Å; F408-L412 HydrophobicContact CE1-CD2 4.21Å; F408-L412 HydrophobicContact CE1-CG 4.13Å; F408-L412 HydrophobicContact CZ-CD1 4.49Å; F408-L412 HydrophobicContact CZ-CD2 4.08Å; F408-L412 HydrophobicContact CZ-CG 4.39Å; F408-L412 WeakPolarHBondContact O-CG 3.26Å; F408-L412 PolarHBondContact O-N 3.1Å; L412-V415 PolarHBondContact O-N 2.76Å; L412-R416 WeakPolarHBondContact O-CB 3.36Å; L412-R416 PolarHBondContact O-N 2.53Å
413	K	92.7	Very high	91.3	Very high	131 Å²	131	49.8 Å²	49.8	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-64.9	-41.2	176.3	-172.9	-178.4	176.7	-175.3	0	112.4	K409 N410 L411 R416 I417	K409-K413 PolarHBondContact O-N 2.78Å; K409-K413 VanDerWaalsContact O-N 3.15Å; N410-K413 PolarHBondContact O-N 2.96Å; L411-K413 PolarHBondContact O-N 3.47Å; K413-R416 WeakPolarHBondContact O-CB 3.44Å; K413-R416 PolarHBondContact O-N 3.09Å; K413-I417 HydrophobicContact CG-CD1 4.24Å; K413-I417 VanDerWaalsContact O-CG1 3.31Å; K413-I417 WeakPolarHBondContact O-CG1 3.49Å; K413-I417 PolarHBondContact O-N 2.77Å
414	E	92.6	Very high	91.1	Very high	56 Å²	56	51.5 Å²	51.5	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-69.3	-40.9	177.6	-73.4	-75.3	147.3	0	0	111.9	N410 L411 R416 I417 Y418 K436 I439	N410-E414 PolarHBondContact O-N 2.9Å; L411-E414 PolarHBondContact O-N 3.34Å; L411-E414 VanDerWaalsContact O-N 3.07Å; E414-R416 VanDerWaalsContact C-N 3.31Å; E414-R416 PolarHBondContact O-N 2.89Å; E414-I417 PolarHBondContact O-N 3.49Å; E414-Y418 WeakPolarHBondContact O-CB 3.22Å; E414-Y418 PolarHBondContact O-N 2.97Å; E414-K436 IonicContact OE2-NZ 2.68Å; E414-K436 PolarHBondContact OE2-NZ 3.16Å; E414-I439 HydrophobicContact CB-CD1 4.21Å; E414-I439 HydrophobicContact CG-CD1 3.82Å
415	V	93.4	Very high	90.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-46.1	172.5	171.7	0	0	0	0	110	I65 L86 L411 L412 I417 Y418 A419 A434 I435	I65-V415 HydrophobicContact CD1-CB 4.15Å; I65-V415 HydrophobicContact CD1-CG1 3.87Å; L86-V415 HydrophobicContact CD1-CG1 4.11Å; L411-V415 HydrophobicContact CG-CG2 4.5Å; L411-V415 WeakPolarHBondContact O-CG2 3.39Å; L411-V415 PolarHBondContact O-N 3.32Å; L412-V415 PolarHBondContact O-N 2.76Å; V415-I417 PolarHBondContact O-N 3.29Å; V415-Y418 PolarHBondContact O-N 2.93Å; V415-A419 WeakPolarHBondContact O-CB 3.48Å; V415-A419 PolarHBondContact O-N 3.43Å; V415-A434 HydrophobicContact CG1-CB 4.26Å; V415-I435 HydrophobicContact CG2-CG1 4.16Å
416	R	93	Very high	90.2	Very high	139 Å²	139	61.3 Å²	61.3	53%	0.525	30%	0.3	S	S	.	.	H	α-helix	trans	-57	-48.1	175.7	-171.2	-172.7	171.1	170.3	-1	112.1	I65 L67 L412 K413 E414 Y418 A419 Q420	I65-R416 HydrophobicContact CG2-CB 3.9Å; I65-R416 HydrophobicContact CG2-CG 3.85Å; L67-R416 HydrophobicContact CD2-CG 3.53Å; L67-R416 HydrophobicContact CG-CG 4.45Å; L412-R416 WeakPolarHBondContact O-CB 3.36Å; L412-R416 PolarHBondContact O-N 2.53Å; K413-R416 WeakPolarHBondContact O-CB 3.44Å; K413-R416 PolarHBondContact O-N 3.09Å; E414-R416 VanDerWaalsContact C-N 3.31Å; E414-R416 PolarHBondContact O-N 2.89Å; R416-Y418 VanDerWaalsContact C-N 3.35Å; R416-Y418 PolarHBondContact O-N 2.94Å; R416-A419 PolarHBondContact O-N 3.47Å; R416-Q420 WeakPolarHBondContact O-CB 3.15Å; R416-Q420 PolarHBondContact O-N 2.83Å
417	I	92.3	Very high	90	Very high	68 Å²	68	65.3 Å²	65.3	35%	0.349	30%	0.304	S	S	.	.	H	α-helix	trans	-65	-39.3	179.9	-68.9	166	0	0	0	111.4	K413 E414 V415 K421	K413-I417 HydrophobicContact CG-CD1 4.24Å; K413-I417 VanDerWaalsContact O-CG1 3.31Å; K413-I417 WeakPolarHBondContact O-CG1 3.49Å; K413-I417 PolarHBondContact O-N 2.77Å; E414-I417 PolarHBondContact O-N 3.49Å; V415-I417 PolarHBondContact O-N 3.29Å; I417-K421 WeakPolarHBondContact O-CG 3.33Å; I417-K421 PolarHBondContact O-N 3.19Å
418	Y	93	Very high	89.5	Confident	57 Å²	57	69.2 Å²	69.2	22%	0.224	33%	0.326	C	S	.	.	H	α-helix	trans	-64.5	-52.2	177.4	-177.5	-90.2	0	0	0	110.7	E414 V415 R416 Q420 K421 F422 F429 L433 A434	E414-Y418 WeakPolarHBondContact O-CB 3.22Å; E414-Y418 PolarHBondContact O-N 2.97Å; V415-Y418 PolarHBondContact O-N 2.93Å; R416-Y418 VanDerWaalsContact C-N 3.35Å; R416-Y418 PolarHBondContact O-N 2.94Å; Y418-Q420 PolarHBondContact O-N 3.3Å; Y418-K421 PolarHBondContact O-N 2.69Å; Y418-F422 HydrophobicContact CD1-CD2 4.21Å; Y418-F422 HydrophobicContact CD1-CE2 4.22Å; Y418-F422 HydrophobicContact CD2-CE2 4.32Å; Y418-F422 AromaticContact CE1-CD2 3.9Å; Y418-F422 HydrophobicContact CE1-CD2 3.9Å; Y418-F422 AromaticContact CE1-CE2 3.61Å; Y418-F422 HydrophobicContact CE1-CE2 3.61Å; Y418-F422 HydrophobicContact CE1-CZ 4.41Å; Y418-F422 AromaticContact CE2-CE2 3.73Å; Y418-F422 HydrophobicContact CE2-CE2 3.73Å; Y418-F422 HydrophobicContact CE2-CZ 4.49Å; Y418-F422 AromaticContact CZ-CE2 3.33Å; Y418-F422 AromaticContact CZ-CZ 3.94Å; Y418-F422 WeakPolarHBondContact O-CD2 3.27Å; Y418-F422 WeakPolarHBondContact OH-CE2 3.14Å; Y418-F429 HydrophobicContact CE1-CB 4.38Å; Y418-L433 HydrophobicContact CE1-CB 4.4Å; Y418-L433 WeakPolarHBondContact OH-CB 3.48Å; Y418-A434 HydrophobicContact CD1-CB 3.36Å; Y418-A434 HydrophobicContact CE1-CB 3.88Å; Y418-A434 HydrophobicContact CG-CB 3.98Å
419	A	90.9	Very high	89.3	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.6	-42.6	179.7	0	0	0	0	0	112.1	L67 V415 R416 K421 F422 I423 F429	L67-A419 HydrophobicContact CD1-CB 3.35Å; V415-A419 WeakPolarHBondContact O-CB 3.48Å; V415-A419 PolarHBondContact O-N 3.43Å; R416-A419 PolarHBondContact O-N 3.47Å; A419-K421 VanDerWaalsContact C-N 3.29Å; A419-K421 PolarHBondContact O-N 2.92Å; A419-F422 PolarHBondContact O-N 3.49Å; A419-I423 PolarHBondContact O-N 3.2Å; A419-F429 HydrophobicContact CB-CD1 3.96Å; A419-F429 HydrophobicContact CB-CD2 3.96Å; A419-F429 HydrophobicContact CB-CE1 3.88Å; A419-F429 HydrophobicContact CB-CE2 3.88Å; A419-F429 HydrophobicContact CB-CG 4Å; A419-F429 HydrophobicContact CB-CZ 3.84Å
420	Q	89.8	Confident	89.2	Confident	35 Å²	35	66.2 Å²	66.2	16%	0.164	32%	0.317	C	S	.	.	H	α-helix	trans	-53.3	-44.6	177	-168.4	69.9	53.7	0	0	112.2	Q68 R416 Y418 F422 I423 D424	Q68-Q420 PolarHBondContact O-NE2 3.07Å; R416-Q420 WeakPolarHBondContact O-CB 3.15Å; R416-Q420 PolarHBondContact O-N 2.83Å; Y418-Q420 PolarHBondContact O-N 3.3Å; Q420-F422 PolarHBondContact O-N 2.84Å; Q420-I423 WeakPolarHBondContact O-CG1 3.41Å; Q420-I423 PolarHBondContact O-N 3.25Å; Q420-D424 PolarHBondContact NE2-OD1 3.12Å; Q420-D424 WeakPolarHBondContact O-CB 3.47Å; Q420-D424 PolarHBondContact O-N 3.27Å; Q420-D424 VanDerWaalsContact O-OD2 3.06Å
421	K	89.8	Confident	88.9	Confident	126 Å²	126	63 Å²	63	55%	0.548	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-26.2	-179.6	-70.7	174	-178	-179.4	0	114.4	I417 Y418 A419 R425	I417-K421 WeakPolarHBondContact O-CG 3.33Å; I417-K421 PolarHBondContact O-N 3.19Å; Y418-K421 PolarHBondContact O-N 2.69Å; A419-K421 VanDerWaalsContact C-N 3.29Å; A419-K421 PolarHBondContact O-N 2.92Å; K421-R425 WeakPolarHBondContact O-CD 3.47Å; K421-R425 WeakPolarHBondContact O-CG 3.26Å
422	F	89.3	Confident	88.7	Confident	56 Å²	56	67.4 Å²	67.4	25%	0.246	32%	0.32	C	S	.	.	H	α-helix	trans	-88.4	-43.3	179.5	-82.2	-92.8	0	0	0	111.3	Y418 A419 Q420 D424 R425 G426 K427 F429	Y418-F422 HydrophobicContact CD1-CD2 4.21Å; Y418-F422 HydrophobicContact CD1-CE2 4.22Å; Y418-F422 HydrophobicContact CD2-CE2 4.32Å; Y418-F422 AromaticContact CE1-CD2 3.9Å; Y418-F422 HydrophobicContact CE1-CD2 3.9Å; Y418-F422 AromaticContact CE1-CE2 3.61Å; Y418-F422 HydrophobicContact CE1-CE2 3.61Å; Y418-F422 HydrophobicContact CE1-CZ 4.41Å; Y418-F422 AromaticContact CE2-CE2 3.73Å; Y418-F422 HydrophobicContact CE2-CE2 3.73Å; Y418-F422 HydrophobicContact CE2-CZ 4.49Å; Y418-F422 AromaticContact CZ-CE2 3.33Å; Y418-F422 AromaticContact CZ-CZ 3.94Å; Y418-F422 WeakPolarHBondContact O-CD2 3.27Å; Y418-F422 WeakPolarHBondContact OH-CE2 3.14Å; A419-F422 PolarHBondContact O-N 3.49Å; Q420-F422 PolarHBondContact O-N 2.84Å; F422-D424 VanDerWaalsContact C-N 3.32Å; F422-D424 PolarHBondContact O-N 3.09Å; F422-R425 CarbonylContact O-C 3.57Å; F422-R425 WeakPolarHBondContact O-CA 3.24Å; F422-R425 WeakPolarHBondContact O-CB 3.39Å; F422-R425 PolarHBondContact O-N 2.84Å; F422-G426 PolarHBondContact O-N 3.26Å; F422-K427 CarbonylContact C-O 3.35Å; F422-K427 HydrophobicContact CD1-CB 4.41Å; F422-K427 PolarHBondContact O-N 3.47Å; F422-F429 HydrophobicContact CB-CB 3.81Å; F422-F429 HydrophobicContact CD2-CB 4.29Å; F422-F429 HydrophobicContact CG-CB 4Å
423	I	87.9	Confident	88.5	Confident	5 Å²	5	72 Å²	72	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-65.1	-34.8	177.4	67.4	-176.4	0	0	0	111.9	L67 Y84 A419 Q420 R425 G426 F429	L67-I423 HydrophobicContact CB-CD1 3.69Å; L67-I423 HydrophobicContact CD1-CD1 4.48Å; L67-I423 HydrophobicContact CD2-CD1 4.42Å; L67-I423 HydrophobicContact CG-CD1 4.42Å; Y84-I423 HydrophobicContact CD2-CG2 3.78Å; Y84-I423 HydrophobicContact CE2-CB 4.22Å; Y84-I423 HydrophobicContact CE2-CG2 3.63Å; Y84-I423 HydrophobicContact CG-CG2 4.36Å; A419-I423 PolarHBondContact O-N 3.2Å; Q420-I423 WeakPolarHBondContact O-CG1 3.41Å; Q420-I423 PolarHBondContact O-N 3.25Å; I423-R425 PolarHBondContact O-N 3.04Å; I423-R425 VanDerWaalsContact O-N 3.14Å; I423-G426 WeakPolarHBondContact O-CA 3.39Å; I423-G426 PolarHBondContact O-N 3.48Å; I423-F429 HydrophobicContact CG2-CD1 4.08Å; I423-F429 HydrophobicContact CG2-CE1 4.22Å
424	D	85.9	Confident	88.4	Confident	44 Å²	44	65.8 Å²	65.8	24%	0.235	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.5	174.6	-67.1	-23.9	0	0	0	112.6	E70 Q420 F422	E70-D424 PolarHBondContact N-OD1 2.82Å; Q420-D424 PolarHBondContact NE2-OD1 3.12Å; Q420-D424 WeakPolarHBondContact O-CB 3.47Å; Q420-D424 PolarHBondContact O-N 3.27Å; Q420-D424 VanDerWaalsContact O-OD2 3.06Å; F422-D424 VanDerWaalsContact C-N 3.32Å; F422-D424 PolarHBondContact O-N 3.09Å
425	R	84.7	Confident	88.4	Confident	189 Å²	189	63.6 Å²	63.6	71%	0.713	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	4	174.1	-61.7	175.3	-178.8	-178.1	-2.1	112.6	K421 F422 I423 K427	K421-R425 WeakPolarHBondContact O-CD 3.47Å; K421-R425 WeakPolarHBondContact O-CG 3.26Å; F422-R425 CarbonylContact O-C 3.57Å; F422-R425 WeakPolarHBondContact O-CA 3.24Å; F422-R425 WeakPolarHBondContact O-CB 3.39Å; F422-R425 PolarHBondContact O-N 2.84Å; I423-R425 PolarHBondContact O-N 3.04Å; I423-R425 VanDerWaalsContact O-N 3.14Å; R425-K427 PolarHBondContact O-N 2.86Å
426	G	77.5	Confident	88.4	Confident	68 Å²	68	68.4 Å²	68.4	70%	0.701	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	21.3	-174.8	0	0	0	0	0	114.3	F422 I423	F422-G426 PolarHBondContact O-N 3.26Å; I423-G426 WeakPolarHBondContact O-CA 3.39Å; I423-G426 PolarHBondContact O-N 3.48Å
427	K	84.3	Confident	88.4	Confident	131 Å²	131	63.9 Å²	63.9	57%	0.57	32%	0.316	S	S	*	.			trans	-106.2	145.3	179.3	-65.3	-170.4	-179.9	-171.9	0	111	F422 R425	F422-K427 CarbonylContact C-O 3.35Å; F422-K427 HydrophobicContact CD1-CB 4.41Å; F422-K427 PolarHBondContact O-N 3.47Å; R425-K427 PolarHBondContact O-N 2.86Å
428	D	82.2	Confident	88.4	Confident	103 Å²	103	69.7 Å²	69.7	55%	0.551	33%	0.334	S	S	*	.			trans	-68.6	150.6	170.1	-162.6	19.1	0	0	0	111.2	K130	K130-D428 IonicContact NZ-OD1 3.95Å; K130-D428 PolarHBondContact NZ-OD1 3.01Å; K130-D428 IonicContact NZ-OD2 3.41Å; K130-D428 PolarHBondContact NZ-OD2 3.27Å
429	F	87.6	Confident	88.4	Confident	5 Å²	5	68.8 Å²	68.8	2%	0.022	33%	0.332	C	S	.	.			trans	-112.6	142.2	-179.7	65	-87.6	0	0	0	111.8	Y84 L86 Y418 A419 F422 I423	Y84-F429 HydrophobicContact CD1-CE1 4.01Å; Y84-F429 HydrophobicContact CG-CE1 4.34Å; L86-F429 HydrophobicContact CD1-CE2 4.02Å; L86-F429 HydrophobicContact CD1-CZ 3.93Å; L86-F429 HydrophobicContact CD2-CE2 4.4Å; L86-F429 HydrophobicContact CD2-CZ 4.13Å; L86-F429 HydrophobicContact CG-CZ 4.35Å; Y418-F429 HydrophobicContact CE1-CB 4.38Å; A419-F429 HydrophobicContact CB-CD1 3.96Å; A419-F429 HydrophobicContact CB-CD2 3.96Å; A419-F429 HydrophobicContact CB-CE1 3.88Å; A419-F429 HydrophobicContact CB-CE2 3.88Å; A419-F429 HydrophobicContact CB-CG 4Å; A419-F429 HydrophobicContact CB-CZ 3.84Å; F422-F429 HydrophobicContact CB-CB 3.81Å; F422-F429 HydrophobicContact CD2-CB 4.29Å; F422-F429 HydrophobicContact CG-CB 4Å; I423-F429 HydrophobicContact CG2-CD1 4.08Å; I423-F429 HydrophobicContact CG2-CE1 4.22Å
430	N	88.6	Confident	88.5	Confident	86 Å²	86	68.8 Å²	68.8	46%	0.46	33%	0.332	S	S	.	.			trans	-83.8	124.1	172.9	-171.6	-23.7	0	0	0	110.1	E432 L433 A434	N430-E432 PolarHBondContact OD1-N 3.35Å; N430-L433 HydrophobicContact CB-CB 4.43Å; N430-L433 HydrophobicContact CB-CD1 4.19Å; N430-L433 HydrophobicContact CB-CG 4.29Å; N430-L433 PolarHBondContact O-N 3.29Å; N430-A434 PolarHBondContact O-N 3.22Å
431	L	86.2	Confident	88.6	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.021	33%	0.333	C	S	.	.	H	α-helix	trans	-67.3	-37.8	-176.5	-133.1	161.4	0	0	0	112.3	L86 I128 K130 L433 A434 I435	L86-L431 HydrophobicContact CD2-CD1 4Å; I128-L431 HydrophobicContact CB-CD1 4.43Å; I128-L431 HydrophobicContact CD1-CD2 3.62Å; I128-L431 HydrophobicContact CG2-CD1 3.78Å; I128-L431 HydrophobicContact CG2-CD2 4.22Å; K130-L431 HydrophobicContact CB-CD1 4.32Å; L431-L433 VanDerWaalsContact C-N 3.31Å; L431-L433 PolarHBondContact O-N 2.89Å; L431-A434 WeakPolarHBondContact O-CB 3.29Å; L431-A434 PolarHBondContact O-N 3.34Å; L431-A434 VanDerWaalsContact O-N 3.1Å; L431-I435 HydrophobicContact CD2-CD1 3.5Å; L431-I435 VanDerWaalsContact CD2-CD1 3.5Å; L431-I435 HydrophobicContact CD2-CG1 4.04Å; L431-I435 WeakPolarHBondContact O-CG1 3.33Å; L431-I435 PolarHBondContact O-N 2.89Å; L431-I435 VanDerWaalsContact O-N 3.11Å
432	E	87.7	Confident	88.8	Confident	94 Å²	94	66.4 Å²	66.4	44%	0.439	33%	0.329	S	S	.	.	H	α-helix	trans	-63.6	-36.8	178.9	-65	-64.8	165.9	0	0	112.1	T147 N430 A434	T147-E432 WeakPolarHBondContact CG2-OE1 3.1Å; N430-E432 PolarHBondContact OD1-N 3.35Å; E432-A434 VanDerWaalsContact C-N 3.35Å
433	L	89.3	Confident	88.9	Confident	115 Å²	115	64.6 Å²	64.6	60%	0.602	33%	0.325	S	S	*	.	H	α-helix	trans	-76.6	-24.5	176.4	-64.5	180	0	0	0	112.6	Y418 N430 L431	Y418-L433 HydrophobicContact CE1-CB 4.4Å; Y418-L433 WeakPolarHBondContact OH-CB 3.48Å; N430-L433 HydrophobicContact CB-CB 4.43Å; N430-L433 HydrophobicContact CB-CD1 4.19Å; N430-L433 HydrophobicContact CB-CG 4.29Å; N430-L433 PolarHBondContact O-N 3.29Å; L431-L433 VanDerWaalsContact C-N 3.31Å; L431-L433 PolarHBondContact O-N 2.89Å
434	A	90.1	Very high	89.2	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-73.2	-35.2	176.4	0	0	0	0	0	111.7	V415 Y418 N430 L431 E432 K436	V415-A434 HydrophobicContact CG1-CB 4.26Å; Y418-A434 HydrophobicContact CD1-CB 3.36Å; Y418-A434 HydrophobicContact CE1-CB 3.88Å; Y418-A434 HydrophobicContact CG-CB 3.98Å; N430-A434 PolarHBondContact O-N 3.22Å; L431-A434 WeakPolarHBondContact O-CB 3.29Å; L431-A434 PolarHBondContact O-N 3.34Å; L431-A434 VanDerWaalsContact O-N 3.1Å; E432-A434 VanDerWaalsContact C-N 3.35Å; A434-K436 PolarHBondContact O-N 2.87Å
435	I	92.9	Very high	89.5	Confident	9 Å²	9	64.7 Å²	64.7	5%	0.046	32%	0.324	C	S	.	.			trans	-78.7	108.7	-176.7	-67	166.7	0	0	0	110.3	I128 T147 I149 L411 V415 L431 T437	I128-I435 HydrophobicContact CD1-CD1 3.54Å; T147-I435 HydrophobicContact CG2-CD1 3.48Å; T147-I435 VanDerWaalsContact CG2-CD1 3.48Å; I149-I435 HydrophobicContact CD1-CD1 3.9Å; I149-I435 HydrophobicContact CD1-CG1 4.45Å; I149-I435 HydrophobicContact CD1-CG2 3.88Å; L411-I435 HydrophobicContact CD1-CG2 4.45Å; V415-I435 HydrophobicContact CG2-CG1 4.16Å; L431-I435 HydrophobicContact CD2-CD1 3.5Å; L431-I435 VanDerWaalsContact CD2-CD1 3.5Å; L431-I435 HydrophobicContact CD2-CG1 4.04Å; L431-I435 WeakPolarHBondContact O-CG1 3.33Å; L431-I435 PolarHBondContact O-N 2.89Å; L431-I435 VanDerWaalsContact O-N 3.11Å; I435-T437 HydrophobicContact CG2-CG2 4.12Å; I435-T437 PolarHBondContact O-N 2.84Å
436	K	93.1	Very high	89.9	Confident	102 Å²	102	58.7 Å²	58.7	44%	0.443	30%	0.302	S	S	.	.			trans	-88.3	89.6	173.8	-68.8	-179.6	-177.8	170.4	0	111.2	L411 E414 A434 R438 I439	L411-K436 WeakPolarHBondContact CD1-O 3.19Å; E414-K436 IonicContact OE2-NZ 2.68Å; E414-K436 PolarHBondContact OE2-NZ 3.16Å; A434-K436 PolarHBondContact O-N 2.87Å; K436-R438 PolarHBondContact O-N 3.16Å; K436-R438 VanDerWaalsContact O-N 3.14Å; K436-I439 HydrophobicContact CB-CD1 3.74Å; K436-I439 HydrophobicContact CB-CG1 3.98Å; K436-I439 HydrophobicContact CD-CD1 4.22Å; K436-I439 PolarHBondContact O-N 2.72Å; K436-I439 VanDerWaalsContact O-N 3.14Å
437	T	92.5	Very high	90.6	Very high	44 Å²	44	55.5 Å²	55.5	27%	0.27	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.7	-177.2	59.2	0	0	0	0	114.6	F148 I149 I435 I439 I440 S441	F148-T437 HydrophobicContact CD1-CG2 3.62Å; F148-T437 HydrophobicContact CE1-CG2 3.81Å; F148-T437 WeakPolarHBondContact O-CG2 3.25Å; I149-T437 VanDerWaalsContact O-CA 3.29Å; I149-T437 WeakPolarHBondContact O-CA 3.17Å; I435-T437 HydrophobicContact CG2-CG2 4.12Å; I435-T437 PolarHBondContact O-N 2.84Å; T437-I439 PolarHBondContact O-N 2.77Å; T437-I440 PolarHBondContact O-N 2.82Å; T437-S441 PolarHBondContact O-N 3.14Å; T437-S441 PolarHBondContact O-OG 2.85Å
438	R	92.6	Very high	91	Very high	190 Å²	190	49.3 Å²	49.3	72%	0.717	24%	0.242	S	C	*	.	H	α-helix	trans	-59.7	-28.3	178.6	-67.1	-173.2	-175.3	-176.7	-0.2	113.9	K436 I440 S441 D442	K436-R438 PolarHBondContact O-N 3.16Å; K436-R438 VanDerWaalsContact O-N 3.14Å; R438-I440 VanDerWaalsContact C-N 3.33Å; R438-I440 PolarHBondContact O-N 2.92Å; R438-S441 WeakPolarHBondContact CA-OG 3.22Å; R438-D442 VanDerWaalsContact O-CB 3.27Å; R438-D442 WeakPolarHBondContact O-CB 3.35Å; R438-D442 PolarHBondContact O-N 2.82Å
439	I	92.9	Very high	91.5	Very high	38 Å²	38	45.6 Å²	45.6	20%	0.195	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-44.7	-175.6	-66	177.6	0	0	0	111	L411 E414 K436 T437 G443	L411-I439 HydrophobicContact CD1-CD1 4.31Å; E414-I439 HydrophobicContact CB-CD1 4.21Å; E414-I439 HydrophobicContact CG-CD1 3.82Å; K436-I439 HydrophobicContact CB-CD1 3.74Å; K436-I439 HydrophobicContact CB-CG1 3.98Å; K436-I439 HydrophobicContact CD-CD1 4.22Å; K436-I439 PolarHBondContact O-N 2.72Å; K436-I439 VanDerWaalsContact O-N 3.14Å; T437-I439 PolarHBondContact O-N 2.77Å; I439-G443 PolarHBondContact O-N 2.81Å
440	I	93	Very high	91.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-81	-47.9	-178.6	-67.8	169.4	0	0	0	110.3	I149 F404 M407 F408 L411 T437 R438 G443 L444	I149-I440 HydrophobicContact CG2-CD1 3.5Å; F404-I440 HydrophobicContact CD2-CG2 4.32Å; F404-I440 HydrophobicContact CE2-CD1 4.33Å; F404-I440 HydrophobicContact CE2-CG2 4.1Å; M407-I440 HydrophobicContact CB-CG1 4.25Å; F408-I440 HydrophobicContact CD2-CD1 4.29Å; L411-I440 HydrophobicContact CD2-CD1 3.84Å; T437-I440 PolarHBondContact O-N 2.82Å; R438-I440 VanDerWaalsContact C-N 3.33Å; R438-I440 PolarHBondContact O-N 2.92Å; I440-G443 PolarHBondContact O-N 2.87Å; I440-L444 HydrophobicContact CG2-CD1 3.95Å; I440-L444 HydrophobicContact CG2-CG 4.48Å; I440-L444 WeakPolarHBondContact O-CB 3.41Å; I440-L444 WeakPolarHBondContact O-CG 3.32Å; I440-L444 PolarHBondContact O-N 2.89Å
441	S	93.3	Very high	91.5	Very high	27 Å²	27	44.4 Å²	44.4	19%	0.189	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-49.1	-175.2	62.5	0	0	0	0	112.6	T437 R438 K445	T437-S441 PolarHBondContact O-N 3.14Å; T437-S441 PolarHBondContact O-OG 2.85Å; R438-S441 WeakPolarHBondContact CA-OG 3.22Å; S441-K445 WeakPolarHBondContact O-CB 3.12Å; S441-K445 PolarHBondContact O-N 2.77Å; S441-K445 VanDerWaalsContact O-N 3.11Å
442	D	92.5	Very high	91.6	Very high	84 Å²	84	46 Å²	46	45%	0.449	23%	0.23	S	C	.	.	H	α-helix	trans	-76.8	-32.4	-177.9	-63.3	-22.9	0	0	0	111	R438 Y446	R438-D442 VanDerWaalsContact O-CB 3.27Å; R438-D442 WeakPolarHBondContact O-CB 3.35Å; R438-D442 PolarHBondContact O-N 2.82Å; D442-Y446 WeakPolarHBondContact O-CB 3.49Å; D442-Y446 PolarHBondContact O-N 3.22Å
443	G	92.2	Very high	91.5	Very high	17 Å²	17	42.3 Å²	42.3	18%	0.175	21%	0.213	C	C	.	.	H	α-helix	trans	-58.5	-55.9	173.7	0	0	0	0	0	112	M407 I439 I440 K445 Y446 S447	M407-G443 WeakPolarHBondContact CE-O 3.43Å; I439-G443 PolarHBondContact O-N 2.81Å; I440-G443 PolarHBondContact O-N 2.87Å; G443-K445 PolarHBondContact O-N 3.04Å; G443-Y446 PolarHBondContact O-N 3.34Å; G443-S447 PolarHBondContact O-N 3.48Å; G443-S447 PolarHBondContact O-OG 3.36Å
444	L	93.4	Very high	91.1	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-62.1	-44.8	178.6	-69.8	176.2	0	0	0	111.3	I152 P153 L403 M407 I440 Y446 S447 L448	I152-L444 HydrophobicContact CG1-CD1 4.14Å; I152-L444 HydrophobicContact CG2-CD1 4.42Å; P153-L444 HydrophobicContact CG-CB 4.39Å; L403-L444 HydrophobicContact CD2-CD2 3.65Å; L403-L444 HydrophobicContact CG-CD2 4.05Å; M407-L444 HydrophobicContact CE-CD2 4.39Å; M407-L444 HydrophobicContact SD-CD2 3.87Å; M407-L444 HydrophobicContact SD-CG 3.87Å; I440-L444 HydrophobicContact CG2-CD1 3.95Å; I440-L444 HydrophobicContact CG2-CG 4.48Å; I440-L444 WeakPolarHBondContact O-CB 3.41Å; I440-L444 WeakPolarHBondContact O-CG 3.32Å; I440-L444 PolarHBondContact O-N 2.89Å; L444-Y446 VanDerWaalsContact C-N 3.32Å; L444-Y446 PolarHBondContact O-N 2.96Å; L444-S447 PolarHBondContact O-N 3Å; L444-L448 WeakPolarHBondContact O-CB 3.49Å; L444-L448 WeakPolarHBondContact O-CD1 3.38Å; L444-L448 VanDerWaalsContact O-CG 3.25Å; L444-L448 WeakPolarHBondContact O-CG 3.24Å; L444-L448 PolarHBondContact O-N 3.45Å
445	K	93.9	Very high	90.4	Very high	47 Å²	47	42.2 Å²	42.2	20%	0.204	22%	0.217	C	C	.	.	H	α-helix	trans	-56.6	-44.9	176.7	-178.7	178.8	179.1	175	0	111.6	I187 N188 S441 G443 A449	I187-K445 HydrophobicContact CG2-CG 3.93Å; N188-K445 WeakPolarHBondContact OD1-CE 3.42Å; N188-K445 PolarHBondContact OD1-NZ 3.12Å; N188-K445 VanDerWaalsContact OD1-NZ 3.09Å; S441-K445 WeakPolarHBondContact O-CB 3.12Å; S441-K445 PolarHBondContact O-N 2.77Å; S441-K445 VanDerWaalsContact O-N 3.11Å; G443-K445 PolarHBondContact O-N 3.04Å; K445-A449 WeakPolarHBondContact O-CB 3.46Å; K445-A449 PolarHBondContact O-N 3.07Å
446	Y	92.9	Very high	89.7	Confident	62 Å²	62	47.6 Å²	47.6	24%	0.243	24%	0.242	C	C	.	.	H	α-helix	trans	-67.9	-49.9	-179.8	173.7	-96	0	0	0	112.6	D442 G443 L444 L448 A449 T450 Q456	D442-Y446 WeakPolarHBondContact O-CB 3.49Å; D442-Y446 PolarHBondContact O-N 3.22Å; G443-Y446 PolarHBondContact O-N 3.34Å; L444-Y446 VanDerWaalsContact C-N 3.32Å; L444-Y446 PolarHBondContact O-N 2.96Å; Y446-L448 VanDerWaalsContact C-N 3.32Å; Y446-L448 PolarHBondContact O-N 3.35Å; Y446-A449 PolarHBondContact O-N 2.88Å; Y446-T450 HydrophobicContact CD2-CG2 3.89Å; Y446-T450 HydrophobicContact CE2-CG2 3.56Å; Y446-T450 WeakPolarHBondContact O-CB 3.17Å; Y446-T450 WeakPolarHBondContact O-CG2 3.31Å; Y446-T450 PolarHBondContact O-N 2.72Å; Y446-T450 PolarHBondContact O-OG1 2.85Å; Y446-Q456 HydrophobicContact CD1-CB 4.14Å; Y446-Q456 HydrophobicContact CD1-CG 4.31Å; Y446-Q456 HydrophobicContact CE1-CB 3.77Å; Y446-Q456 HydrophobicContact CE1-CG 3.72Å; Y446-Q456 HydrophobicContact CE2-CG 4.17Å
447	S	92.1	Very high	89	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.007	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-41.6	-178.3	-66.1	0	0	0	0	111.7	G443 L444 G451 N452	G443-S447 PolarHBondContact O-N 3.48Å; G443-S447 PolarHBondContact O-OG 3.36Å; L444-S447 PolarHBondContact O-N 3Å; S447-G451 WeakPolarHBondContact O-CA 3.2Å; S447-G451 PolarHBondContact O-N 2.92Å; S447-N452 WeakPolarHBondContact CA-O 3.31Å; S447-N452 WeakPolarHBondContact CB-O 3.42Å; S447-N452 PolarHBondContact OG-O 3.29Å
448	L	92.8	Very high	88.5	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-73.1	-35.1	177	-65.6	169.5	0	0	0	112.9	P153 I187 L194 L400 L444 Y446 W453 S467	P153-L448 HydrophobicContact CB-CD1 4.03Å; P153-L448 HydrophobicContact CG-CD1 3.84Å; I187-L448 HydrophobicContact CD1-CB 3.14Å; I187-L448 HydrophobicContact CD1-CD1 3.58Å; I187-L448 HydrophobicContact CD1-CG 3.95Å; L194-L448 HydrophobicContact CD1-CD2 4.2Å; L194-L448 HydrophobicContact CD2-CD2 3.67Å; L194-L448 HydrophobicContact CG-CD2 4.35Å; L400-L448 HydrophobicContact CD2-CD2 4.25Å; L444-L448 WeakPolarHBondContact O-CB 3.49Å; L444-L448 WeakPolarHBondContact O-CD1 3.38Å; L444-L448 VanDerWaalsContact O-CG 3.25Å; L444-L448 WeakPolarHBondContact O-CG 3.24Å; L444-L448 PolarHBondContact O-N 3.45Å; Y446-L448 VanDerWaalsContact C-N 3.32Å; Y446-L448 PolarHBondContact O-N 3.35Å; L448-W453 HydrophobicContact CD2-CH2 3.46Å; L448-W453 VanDerWaalsContact CD2-CH2 3.46Å; L448-W453 HydrophobicContact CD2-CZ3 3.79Å; L448-S467 VanDerWaalsContact O-CB 3.31Å; L448-S467 WeakPolarHBondContact O-CB 3.22Å; L448-S467 PolarHBondContact O-OG 3.33Å
449	A	92.2	Very high	87.6	Confident	25 Å²	25	47.6 Å²	47.6	21%	0.207	25%	0.249	C	C	.	.	H	α-helix	trans	-70.4	-42.3	179.2	0	0	0	0	0	112.6	I187 K192 K445 Y446	I187-A449 HydrophobicContact CG2-CB 4.24Å; K192-A449 PolarHBondContact NZ-O 2.96Å; K445-A449 WeakPolarHBondContact O-CB 3.46Å; K445-A449 PolarHBondContact O-N 3.07Å; Y446-A449 PolarHBondContact O-N 2.88Å
450	T	89.6	Confident	86.6	Confident	65 Å²	65	53.1 Å²	53.1	40%	0.399	27%	0.274	S	S	.	.	H	α-helix	trans	-88.9	-26.9	-175.9	60.9	0	0	0	0	113.6	Y446 N452	Y446-T450 HydrophobicContact CD2-CG2 3.89Å; Y446-T450 HydrophobicContact CE2-CG2 3.56Å; Y446-T450 WeakPolarHBondContact O-CB 3.17Å; Y446-T450 WeakPolarHBondContact O-CG2 3.31Å; Y446-T450 PolarHBondContact O-N 2.72Å; Y446-T450 PolarHBondContact O-OG1 2.85Å; T450-N452 VanDerWaalsContact C-N 3.32Å; T450-N452 PolarHBondContact OG1-N 2.67Å
451	G	86.7	Confident	85.8	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.01	30%	0.303	C	S	.	.			trans	79.8	11.3	-172.9	0	0	0	0	0	114.5	S447 A464 G465	S447-G451 WeakPolarHBondContact O-CA 3.2Å; S447-G451 PolarHBondContact O-N 2.92Å; G451-A464 WeakPolarHBondContact O-CA 3.34Å; G451-G465 PolarHBondContact O-N 3.24Å; G451-G465 VanDerWaalsContact O-N 3.16Å
452	N	88	Confident	85	Confident	37 Å²	37	59.2 Å²	59.2	20%	0.198	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	108.3	172.6	-66.3	-34.1	0	0	0	109.8	S447 T450 G454 A462	S447-N452 WeakPolarHBondContact CA-O 3.31Å; S447-N452 WeakPolarHBondContact CB-O 3.42Å; S447-N452 PolarHBondContact OG-O 3.29Å; T450-N452 VanDerWaalsContact C-N 3.32Å; T450-N452 PolarHBondContact OG1-N 2.67Å; N452-G454 PolarHBondContact O-N 3.27Å; N452-A462 HydrophobicContact CB-CB 4.24Å
453	W	86	Confident	84.3	Confident	17 Å²	17	62.5 Å²	62.5	6%	0.064	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	89.3	-175.9	-134.6	-102.5	0	0	0	111.5	L194 L399 L400 L403 L448 R463 V466	L194-W453 HydrophobicContact CD1-CH2 3.75Å; L194-W453 HydrophobicContact CD1-CZ2 4.26Å; L194-W453 HydrophobicContact CD2-CH2 3.29Å; L194-W453 HydrophobicContact CD2-CZ2 4.39Å; L194-W453 HydrophobicContact CD2-CZ3 3.53Å; L194-W453 HydrophobicContact CG-CH2 4.15Å; L399-W453 HydrophobicContact CB-CZ2 3.82Å; L399-W453 PolarHBondContact O-NE1 2.96Å; L400-W453 HydrophobicContact CD2-CH2 4.31Å; L400-W453 HydrophobicContact CD2-CZ2 4.13Å; L403-W453 HydrophobicContact CD2-CZ2 4.32Å; L448-W453 HydrophobicContact CD2-CH2 3.46Å; L448-W453 VanDerWaalsContact CD2-CH2 3.46Å; L448-W453 HydrophobicContact CD2-CZ3 3.79Å; W453-R463 PolarHBondContact N-O 3.42Å; W453-R463 VanDerWaalsContact N-O 3.09Å; W453-V466 HydrophobicContact CB-CG2 4.07Å; W453-V466 HydrophobicContact CD2-CB 4.07Å; W453-V466 HydrophobicContact CD2-CG1 3.78Å; W453-V466 HydrophobicContact CD2-CG2 4.44Å; W453-V466 HydrophobicContact CE3-CB 3.7Å; W453-V466 HydrophobicContact CE3-CG1 3.63Å; W453-V466 HydrophobicContact CE3-CG2 4.47Å; W453-V466 HydrophobicContact CG-CB 4.44Å; W453-V466 HydrophobicContact CG-CG1 4.37Å; W453-V466 HydrophobicContact CG-CG2 4.31Å; W453-V466 HydrophobicContact CH2-CG1 4.25Å; W453-V466 HydrophobicContact CZ2-CG1 4.4Å; W453-V466 HydrophobicContact CZ3-CB 4.25Å; W453-V466 HydrophobicContact CZ3-CG1 3.88Å
454	G	79.7	Confident	83.7	Confident	20 Å²	20	65.2 Å²	65.2	21%	0.206	33%	0.329	C	S	.	.	S	Bend	trans	154.7	-167.6	180	0	0	0	0	0	114	N452	N452-G454 PolarHBondContact O-N 3.27Å
455	D	75.3	Confident	83	Confident	93 Å²	93	66.3 Å²	66.3	50%	0.497	34%	0.341	S	S	.	.			trans	-64.7	132	177.3	-177.3	7.1	0	0	0	111.1	K457 K458 A459	D455-K457 PolarHBondContact O-N 3.01Å; D455-K457 PolarHBondContact OD1-N 3.35Å; D455-K457 VanDerWaalsContact OD1-N 3.16Å; D455-K458 CarbonylContact O-C 3.58Å; D455-K458 PolarHBondContact O-N 3.18Å; D455-A459 PolarHBondContact O-N 2.72Å
456	Q	79.5	Confident	82.6	Confident	123 Å²	123	64.1 Å²	64.1	58%	0.575	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-54.6	-36	177.2	-178	174.7	15.8	0	0	111.9	Y446 K458 A459	Y446-Q456 HydrophobicContact CD1-CB 4.14Å; Y446-Q456 HydrophobicContact CD1-CG 4.31Å; Y446-Q456 HydrophobicContact CE1-CB 3.77Å; Y446-Q456 HydrophobicContact CE1-CG 3.72Å; Y446-Q456 HydrophobicContact CE2-CG 4.17Å; Q456-K458 PolarHBondContact O-N 3.34Å; Q456-A459 WeakPolarHBondContact O-CB 3.48Å; Q456-A459 PolarHBondContact O-N 2.8Å
457	K	78.7	Confident	82.6	Confident	186 Å²	186	61.7 Å²	61.7	81%	0.809	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-64.4	-24.7	178.2	-68	-176.8	177.6	179.4	0	113.1	D455	D455-K457 PolarHBondContact O-N 3.01Å; D455-K457 PolarHBondContact OD1-N 3.35Å; D455-K457 VanDerWaalsContact OD1-N 3.16Å
458	K	80.8	Confident	82.7	Confident	121 Å²	121	63.7 Å²	63.7	53%	0.526	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-112.9	32.3	-179.5	-61.8	-175.2	-177.6	-179.3	0	112.2	D455 Q456 H460 Q461 A462	D455-K458 CarbonylContact O-C 3.58Å; D455-K458 PolarHBondContact O-N 3.18Å; Q456-K458 PolarHBondContact O-N 3.34Å; K458-H460 PolarHBondContact O-N 2.72Å; K458-H460 VanDerWaalsContact O-N 3.1Å; K458-Q461 PolarHBondContact O-N 2.9Å; K458-A462 PolarHBondContact O-N 2.81Å
459	A	73.2	Confident	82.8	Confident	28 Å²	28	67.8 Å²	67.8	23%	0.231	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-35.3	-175.8	0	0	0	0	0	114.2	D455 Q456 Q461 A462	D455-A459 PolarHBondContact O-N 2.72Å; Q456-A459 WeakPolarHBondContact O-CB 3.48Å; Q456-A459 PolarHBondContact O-N 2.8Å; A459-Q461 VanDerWaalsContact C-N 3.27Å; A459-Q461 PolarHBondContact O-N 3.35Å; A459-A462 WeakPolarHBondContact O-CB 3.45Å; A459-A462 PolarHBondContact O-N 2.96Å
460	H	73.3	Confident	83	Confident	155 Å²	155	67.1 Å²	67.1	72%	0.718	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-20.9	178.2	65.8	-75.7	0	0	0	114.3	K458	K458-H460 PolarHBondContact O-N 2.72Å; K458-H460 VanDerWaalsContact O-N 3.1Å
461	Q	76.2	Confident	83.2	Confident	134 Å²	134	66.6 Å²	66.6	63%	0.626	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-15.5	175.9	-62.6	175.8	1.4	0	0	112	K458 A459	K458-Q461 PolarHBondContact O-N 2.9Å; A459-Q461 VanDerWaalsContact C-N 3.27Å; A459-Q461 PolarHBondContact O-N 3.35Å
462	A	75.3	Confident	83.5	Confident	20 Å²	20	67.6 Å²	67.6	17%	0.165	35%	0.349	C	S	.	.	S	Bend	trans	-68.9	146	-179.3	0	0	0	0	0	110.4	N452 K458 A459 A464	N452-A462 HydrophobicContact CB-CB 4.24Å; K458-A462 PolarHBondContact O-N 2.81Å; A459-A462 WeakPolarHBondContact O-CB 3.45Å; A459-A462 PolarHBondContact O-N 2.96Å; A462-A464 PolarHBondContact O-N 3.09Å; A462-A464 VanDerWaalsContact O-N 3.14Å
463	R	78.1	Confident	83.7	Confident	154 Å²	154	66.5 Å²	66.5	58%	0.581	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	115	173.9	-64.2	-178.8	-173.5	172.4	2.9	108.1	W453 V466	W453-R463 PolarHBondContact N-O 3.42Å; W453-R463 VanDerWaalsContact N-O 3.09Å; R463-V466 HydrophobicContact CB-CG2 4.34Å
464	A	79.3	Confident	84.1	Confident	74 Å²	74	65.9 Å²	65.9	61%	0.612	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	151.5	176.8	0	0	0	0	0	111.1	G451 A462	G451-A464 WeakPolarHBondContact O-CA 3.34Å; A462-A464 PolarHBondContact O-N 3.09Å; A462-A464 VanDerWaalsContact O-N 3.14Å
465	G	78.6	Confident	84.9	Confident	27 Å²	27	65.4 Å²	65.4	28%	0.278	33%	0.334	S	S	.	.	S	Bend	trans	86	11.4	170.9	0	0	0	0	0	115.5	G451 Q468	G451-G465 PolarHBondContact O-N 3.24Å; G451-G465 VanDerWaalsContact O-N 3.16Å; G465-Q468 PolarHBondContact O-NE2 3.1Å
466	V	87.1	Confident	85.8	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.012	31%	0.313	C	S	.	.	S	Bend	trans	-69.3	-46.6	172.6	-179.5	0	0	0	0	110.7	I195 Q197 L399 W453 R463	I195-V466 PolarHBondContact N-O 3.11Å; Q197-V466 HydrophobicContact CG-CG2 4.35Å; L399-V466 HydrophobicContact CD1-CG1 3.79Å; W453-V466 HydrophobicContact CB-CG2 4.07Å; W453-V466 HydrophobicContact CD2-CB 4.07Å; W453-V466 HydrophobicContact CD2-CG1 3.78Å; W453-V466 HydrophobicContact CD2-CG2 4.44Å; W453-V466 HydrophobicContact CE3-CB 3.7Å; W453-V466 HydrophobicContact CE3-CG1 3.63Å; W453-V466 HydrophobicContact CE3-CG2 4.47Å; W453-V466 HydrophobicContact CG-CB 4.44Å; W453-V466 HydrophobicContact CG-CG1 4.37Å; W453-V466 HydrophobicContact CG-CG2 4.31Å; W453-V466 HydrophobicContact CH2-CG1 4.25Å; W453-V466 HydrophobicContact CZ2-CG1 4.4Å; W453-V466 HydrophobicContact CZ3-CB 4.25Å; W453-V466 HydrophobicContact CZ3-CG1 3.88Å; R463-V466 HydrophobicContact CB-CG2 4.34Å
467	S	93	Very high	86.6	Confident	10 Å²	10	55.5 Å²	55.5	7%	0.07	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.9	170.3	178.7	0	0	0	0	110.7	V193 L448	V193-S467 WeakPolarHBondContact O-CA 3.37Å; L448-S467 VanDerWaalsContact O-CB 3.31Å; L448-S467 WeakPolarHBondContact O-CB 3.22Å; L448-S467 PolarHBondContact O-OG 3.33Å
468	Q	93.8	Very high	87.4	Confident	44 Å²	44	46.7 Å²	46.7	21%	0.206	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	153.9	178.2	-61.7	-178.2	14.4	0	0	110.4	K192 V193 I195 G465 H481	K192-Q468 WeakPolarHBondContact CA-O 3.46Å; V193-Q468 PolarHBondContact N-O 3.45Å; V193-Q468 PolarHBondContact O-N 3.39Å; I195-Q468 HydrophobicContact CG1-CB 4.45Å; I195-Q468 HydrophobicContact CG1-CG 4.02Å; G465-Q468 PolarHBondContact O-NE2 3.1Å; Q468-H481 PolarHBondContact OE1-NE2 3Å
469	V	95.4	Very high	88.2	Confident	88 Å²	88	41 Å²	41	53%	0.533	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	130	173	178.4	0	0	0	0	108.9	E191 K192 N471 H481	E191-V469 WeakPolarHBondContact O-CA 3.43Å; K192-V469 HydrophobicContact CD-CG2 4.25Å; K192-V469 VanDerWaalsContact NZ-CG2 3.35Å; V469-N471 PolarHBondContact O-N 3.49Å; V469-H481 PolarHBondContact O-CE1 3.3Å
470	L	95.6	Very high	89.3	Confident	11 Å²	11	39.7 Å²	39.7	6%	0.058	21%	0.212	C	C	.	.			trans	-56.8	138.7	-179.7	-177	60	0	0	0	111	Y184 E191 V193 R472 T478 H481 L482	Y184-L470 HydrophobicContact CD1-CD2 3.99Å; Y184-L470 HydrophobicContact CD2-CD2 4.5Å; Y184-L470 HydrophobicContact CE1-CD2 4.35Å; Y184-L470 HydrophobicContact CG-CD2 4.1Å; E191-L470 HydrophobicContact CB-CB 3.84Å; E191-L470 HydrophobicContact CB-CD2 4.37Å; E191-L470 PolarHBondContact O-N 2.82Å; E191-L470 VanDerWaalsContact O-N 3.12Å; V193-L470 HydrophobicContact CG2-CB 3.83Å; V193-L470 HydrophobicContact CG2-CD1 3.5Å; V193-L470 VanDerWaalsContact CG2-CD1 3.5Å; V193-L470 HydrophobicContact CG2-CG 4.14Å; L470-R472 HydrophobicContact CD2-CG 3.94Å; L470-R472 HydrophobicContact CG-CG 3.97Å; L470-R472 PolarHBondContact O-N 2.91Å; L470-T478 HydrophobicContact CD1-CG2 3.99Å; L470-T478 HydrophobicContact CD2-CG2 4.09Å; L470-T478 HydrophobicContact CG-CG2 4.34Å; L470-H481 HydrophobicContact CD1-CB 4.25Å; L470-L482 HydrophobicContact CD1-CD2 4.29Å; L470-L482 HydrophobicContact CD1-CG 4.32Å
471	N	93.9	Very high	90.4	Very high	54 Å²	54	32.5 Å²	32.5	29%	0.289	18%	0.179	S	C	.	.			trans	-99.5	88.2	-176.2	-176.7	18.3	0	0	0	110.1	V469 L473 S477 H481	V469-N471 PolarHBondContact O-N 3.49Å; N471-L473 VanDerWaalsContact C-N 3.32Å; N471-L473 PolarHBondContact O-N 2.94Å; N471-S477 VanDerWaalsContact CG-OG 3.26Å; N471-S477 PolarHBondContact ND2-OG 2.68Å; N471-S477 PolarHBondContact O-OG 3Å; N471-H481 PolarHBondContact N-ND1 3.16Å; N471-H481 VanDerWaalsContact N-ND1 3.19Å
472	R	92.2	Very high	91.3	Very high	21 Å²	21	26.1 Å²	26.1	8%	0.079	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	43.7	-178	-68.1	-154.9	-179.1	-99.7	3.6	114.4	D180 Y184 E191 L470 Y736	D180-R472 IonicContact OD1-CZ 3.56Å; D180-R472 IonicContact OD1-NH1 3.48Å; D180-R472 PolarHBondContact OD1-NH1 3.31Å; D180-R472 IonicContact OD1-NH2 2.72Å; D180-R472 PolarHBondContact OD1-NH2 3.43Å; D180-R472 IonicContact OD2-NH2 2.93Å; Y184-R472 PolarHBondContact OH-NH2 3.23Å; E191-R472 IonicContact OE1-CZ 3.99Å; E191-R472 IonicContact OE1-NE 3.88Å; E191-R472 PolarHBondContact OE1-NE 2.73Å; E191-R472 VanDerWaalsContact OE1-NE 3.09Å; E191-R472 IonicContact OE1-NH2 2.98Å; E191-R472 PolarHBondContact OE1-NH2 3.25Å; E191-R472 WeakPolarHBondContact OE2-CD 3.49Å; E191-R472 IonicContact OE2-CZ 2.87Å; E191-R472 IonicContact OE2-NE 3.16Å; E191-R472 PolarHBondContact OE2-NE 2.79Å; E191-R472 IonicContact OE2-NH2 3.27Å; L470-R472 HydrophobicContact CD2-CG 3.94Å; L470-R472 HydrophobicContact CG-CG 3.97Å; L470-R472 PolarHBondContact O-N 2.91Å; R472-Y736 HydrophobicContact CB-CD2 4.03Å; R472-Y736 HydrophobicContact CB-CE2 4.35Å
473	L	92.9	Very high	92.3	Very high	15 Å²	15	25.4 Å²	25.4	8%	0.079	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-41.8	173.5	-169	76.7	0	0	0	112.1	N471 K730 Q731 A732 H749 K1052	N471-L473 VanDerWaalsContact C-N 3.32Å; N471-L473 PolarHBondContact O-N 2.94Å; L473-K730 VanDerWaalsContact CD2-O 3.23Å; L473-K730 WeakPolarHBondContact CD2-O 3.46Å; L473-Q731 VanDerWaalsContact CD2-C 3.46Å; L473-Q731 VanDerWaalsContact CD2-CA 3.4Å; L473-Q731 WeakPolarHBondContact CD2-O 3.31Å; L473-A732 WeakPolarHBondContact CD2-O 3.38Å; L473-H749 HydrophobicContact CD1-CB 4.48Å; L473-K1052 HydrophobicContact CD1-CB 4.24Å; L473-K1052 HydrophobicContact CD1-CD 4.17Å; L473-K1052 HydrophobicContact CD2-CB 4.13Å; L473-K1052 HydrophobicContact CD2-CD 3.77Å; L473-K1052 HydrophobicContact CD2-CG 4.2Å
474	T	94.8	Very high	93.1	Very high	3 Å²	3	20 Å²	20	2%	0.018	12%	0.122	C	C	.	.	S	Bend	trans	-139	163.1	176.8	79.3	0	0	0	0	109.3	A476 S477 T478 A732 A774	T474-A476 PolarHBondContact OG1-N 3.1Å; T474-S477 WeakPolarHBondContact O-CB 3.37Å; T474-S477 PolarHBondContact O-N 3.19Å; T474-S477 WeakPolarHBondContact OG1-CB 3.43Å; T474-S477 PolarHBondContact OG1-N 2.94Å; T474-T478 PolarHBondContact O-N 2.93Å; T474-T478 VanDerWaalsContact O-N 3.11Å; T474-T478 PolarHBondContact O-OG1 2.94Å; T474-A732 HydrophobicContact CG2-CB 4.25Å; T474-A732 WeakPolarHBondContact CG2-O 3.39Å; T474-A774 HydrophobicContact CG2-CB 4.49Å
475	F	96.1	Very high	93.9	Very high	11 Å²	11	16.6 Å²	16.6	5%	0.048	9%	0.093	C	C	.	.	H	α-helix	trans	-61.4	-46.9	173.8	-170.2	-111	0	0	0	111.6	L179 S477 T478 L479 L767 R768 L772	L179-F475 HydrophobicContact CB-CE2 4.32Å; L179-F475 HydrophobicContact CB-CZ 4.4Å; L179-F475 VanDerWaalsContact O-CE2 3.24Å; L179-F475 WeakPolarHBondContact O-CE2 3.44Å; L179-F475 WeakPolarHBondContact O-CZ 3.41Å; F475-S477 VanDerWaalsContact C-N 3.32Å; F475-S477 PolarHBondContact O-N 2.97Å; F475-T478 WeakPolarHBondContact O-CA 3.48Å; F475-T478 VanDerWaalsContact O-CB 3.27Å; F475-T478 WeakPolarHBondContact O-CB 3.5Å; F475-T478 PolarHBondContact O-N 3.2Å; F475-L479 HydrophobicContact CD1-CD1 3.9Å; F475-L479 HydrophobicContact CE1-CD1 3.54Å; F475-L479 HydrophobicContact CE1-CG 4.18Å; F475-L479 HydrophobicContact CZ-CD1 4.15Å; F475-L479 HydrophobicContact CZ-CD2 4.45Å; F475-L479 HydrophobicContact CZ-CG 4.36Å; F475-L479 PolarHBondContact O-N 3.17Å; F475-L479 VanDerWaalsContact O-N 3.09Å; F475-L767 VanDerWaalsContact CE1-O 3.31Å; F475-L767 WeakPolarHBondContact CE1-O 3.13Å; F475-R768 HydrophobicContact CE1-CB 4.03Å; F475-L772 HydrophobicContact CB-CB 4.19Å; F475-L772 HydrophobicContact CB-CD1 4.16Å; F475-L772 HydrophobicContact CD2-CD1 3.84Å; F475-L772 HydrophobicContact CE2-CD1 4.4Å; F475-L772 HydrophobicContact CG-CB 4.47Å; F475-L772 HydrophobicContact CG-CD1 3.93Å
476	A	94.6	Very high	94.6	Very high	7 Å²	7	16 Å²	16	6%	0.058	8%	0.084	C	C	.	.	H	α-helix	trans	-59.7	-38	175.9	0	0	0	0	0	113.3	T474 T478 L479 S480	T474-A476 PolarHBondContact OG1-N 3.1Å; A476-T478 VanDerWaalsContact C-N 3.3Å; A476-T478 PolarHBondContact O-N 2.77Å; A476-L479 PolarHBondContact O-N 2.97Å; A476-S480 VanDerWaalsContact O-CB 3.28Å; A476-S480 WeakPolarHBondContact O-CB 3.33Å; A476-S480 PolarHBondContact O-N 2.81Å
477	S	95.6	Very high	94.8	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.007	9%	0.085	C	C	.	.	H	α-helix	trans	-62.4	-38.6	174.2	169.6	0	0	0	0	112	N471 T474 F475 H481	N471-S477 VanDerWaalsContact CG-OG 3.26Å; N471-S477 PolarHBondContact ND2-OG 2.68Å; N471-S477 PolarHBondContact O-OG 3Å; T474-S477 WeakPolarHBondContact O-CB 3.37Å; T474-S477 PolarHBondContact O-N 3.19Å; T474-S477 WeakPolarHBondContact OG1-CB 3.43Å; T474-S477 PolarHBondContact OG1-N 2.94Å; F475-S477 VanDerWaalsContact C-N 3.32Å; F475-S477 PolarHBondContact O-N 2.97Å; S477-H481 WeakPolarHBondContact O-CB 3.49Å; S477-H481 PolarHBondContact O-N 3.35Å
478	T	96.4	Very high	94.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.1	-52.2	178.9	-58.4	0	0	0	0	110	L470 T474 F475 A476 S480 H481 L482	L470-T478 HydrophobicContact CD1-CG2 3.99Å; L470-T478 HydrophobicContact CD2-CG2 4.09Å; L470-T478 HydrophobicContact CG-CG2 4.34Å; T474-T478 PolarHBondContact O-N 2.93Å; T474-T478 VanDerWaalsContact O-N 3.11Å; T474-T478 PolarHBondContact O-OG1 2.94Å; F475-T478 WeakPolarHBondContact O-CA 3.48Å; F475-T478 VanDerWaalsContact O-CB 3.27Å; F475-T478 WeakPolarHBondContact O-CB 3.5Å; F475-T478 PolarHBondContact O-N 3.2Å; A476-T478 VanDerWaalsContact C-N 3.3Å; A476-T478 PolarHBondContact O-N 2.77Å; T478-S480 PolarHBondContact O-N 2.97Å; T478-H481 PolarHBondContact O-N 3.17Å; T478-H481 VanDerWaalsContact O-N 3.16Å; T478-L482 HydrophobicContact CG2-CD1 4.28Å; T478-L482 WeakPolarHBondContact O-CG 3.05Å; T478-L482 PolarHBondContact O-N 2.92Å; T478-L482 VanDerWaalsContact O-N 3.17Å
479	L	95.9	Very high	93.8	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-59	-48.3	177.2	-68.7	174.4	0	0	0	112.4	L39 V40 P181 F475 A476 H481 L482 R483 V706 L767	L39-L479 HydrophobicContact CB-CD2 4.24Å; L39-L479 HydrophobicContact CD1-CD1 3.78Å; L39-L479 HydrophobicContact CD1-CD2 3.93Å; L39-L479 HydrophobicContact CD1-CG 4.47Å; V40-L479 HydrophobicContact CG1-CD2 4.45Å; P181-L479 HydrophobicContact CB-CD2 4.27Å; P181-L479 HydrophobicContact CG-CD2 3.91Å; F475-L479 HydrophobicContact CD1-CD1 3.9Å; F475-L479 HydrophobicContact CE1-CD1 3.54Å; F475-L479 HydrophobicContact CE1-CG 4.18Å; F475-L479 HydrophobicContact CZ-CD1 4.15Å; F475-L479 HydrophobicContact CZ-CD2 4.45Å; F475-L479 HydrophobicContact CZ-CG 4.36Å; F475-L479 PolarHBondContact O-N 3.17Å; F475-L479 VanDerWaalsContact O-N 3.09Å; A476-L479 PolarHBondContact O-N 2.97Å; L479-H481 VanDerWaalsContact C-N 3.26Å; L479-H481 PolarHBondContact O-N 2.78Å; L479-L482 PolarHBondContact O-N 3.41Å; L479-R483 PolarHBondContact O-N 3.27Å; L479-V706 HydrophobicContact CB-CG1 3.88Å; L479-V706 HydrophobicContact CB-CG2 4.38Å; L479-V706 HydrophobicContact CD1-CG1 4.35Å; L479-L767 HydrophobicContact CD1-CD2 4.44Å
480	S	96.4	Very high	92.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.5	-36.8	176.3	171	0	0	0	0	112.3	A476 T478 R483 R484 E513 N525 K730	A476-S480 VanDerWaalsContact O-CB 3.28Å; A476-S480 WeakPolarHBondContact O-CB 3.33Å; A476-S480 PolarHBondContact O-N 2.81Å; T478-S480 PolarHBondContact O-N 2.97Å; S480-R483 PolarHBondContact O-N 2.83Å; S480-R484 PolarHBondContact O-N 3.14Å; S480-E513 WeakPolarHBondContact CB-OE1 3.25Å; S480-E513 PolarHBondContact OG-OE1 3.44Å; S480-N525 PolarHBondContact O-OD1 3.02Å; S480-N525 VanDerWaalsContact O-OD1 3.13Å; S480-K730 WeakPolarHBondContact OG-CE 3.47Å; S480-K730 PolarHBondContact OG-NZ 3.41Å
481	H	96.7	Very high	92.1	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.023	14%	0.135	C	C	.	.	H	α-helix	trans	-68.7	-38.9	178.6	-159.5	174.1	0	0	0	112.5	Q468 V469 L470 N471 S477 T478 L479 R483 R484	Q468-H481 PolarHBondContact OE1-NE2 3Å; V469-H481 PolarHBondContact O-CE1 3.3Å; L470-H481 HydrophobicContact CD1-CB 4.25Å; N471-H481 PolarHBondContact N-ND1 3.16Å; N471-H481 VanDerWaalsContact N-ND1 3.19Å; S477-H481 WeakPolarHBondContact O-CB 3.49Å; S477-H481 PolarHBondContact O-N 3.35Å; T478-H481 PolarHBondContact O-N 3.17Å; T478-H481 VanDerWaalsContact O-N 3.16Å; L479-H481 VanDerWaalsContact C-N 3.26Å; L479-H481 PolarHBondContact O-N 2.78Å; H481-R483 VanDerWaalsContact C-N 3.25Å; H481-R483 PolarHBondContact O-N 2.89Å; H481-R484 PolarHBondContact CD2-NH1 3.42Å; H481-R484 VanDerWaalsContact CD2-NH1 3.28Å; H481-R484 PolarHBondContact NE2-NH1 3.41Å; H481-R484 WeakPolarHBondContact O-CB 3.47Å; H481-R484 PolarHBondContact O-N 3.03Å
482	L	96.2	Very high	91.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.2	-24.7	179.9	-66.1	167.1	0	0	0	112.8	V40 Q43 P181 G182 G183 V193 L470 T478 L479	V40-L482 HydrophobicContact CG1-CB 3.9Å; V40-L482 HydrophobicContact CG1-CD1 3.73Å; V40-L482 HydrophobicContact CG1-CG 4.42Å; Q43-L482 PolarHBondContact NE2-O 3.49Å; P181-L482 HydrophobicContact CG-CD1 3.87Å; G182-L482 WeakPolarHBondContact O-CD1 3.18Å; G183-L482 WeakPolarHBondContact O-CD2 3.48Å; V193-L482 HydrophobicContact CB-CD2 4.43Å; V193-L482 HydrophobicContact CG1-CD2 3.81Å; V193-L482 HydrophobicContact CG2-CD2 3.69Å; L470-L482 HydrophobicContact CD1-CD2 4.29Å; L470-L482 HydrophobicContact CD1-CG 4.32Å; T478-L482 HydrophobicContact CG2-CD1 4.28Å; T478-L482 WeakPolarHBondContact O-CG 3.05Å; T478-L482 PolarHBondContact O-N 2.92Å; T478-L482 VanDerWaalsContact O-N 3.17Å; L479-L482 PolarHBondContact O-N 3.41Å
483	R	95.4	Very high	90.5	Very high	5 Å²	5	30 Å²	30	2%	0.019	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	16.7	-179.6	-57.2	-166.2	77.3	173.5	4.9	114.4	L39 L479 S480 H481 L526 A527 L528 A530	L39-R483 VanDerWaalsContact O-CD 3.29Å; L39-R483 WeakPolarHBondContact O-CD 3.46Å; L39-R483 PolarHBondContact O-NE 3.26Å; L479-R483 PolarHBondContact O-N 3.27Å; S480-R483 PolarHBondContact O-N 2.83Å; H481-R483 VanDerWaalsContact C-N 3.25Å; H481-R483 PolarHBondContact O-N 2.89Å; R483-L526 HydrophobicContact CB-CB 4.25Å; R483-L526 HydrophobicContact CB-CD1 4.31Å; R483-L526 PolarHBondContact O-N 3.13Å; R483-L526 VanDerWaalsContact O-N 3.12Å; R483-A527 VanDerWaalsContact CZ-O 3.23Å; R483-A527 PolarHBondContact NH1-O 3.2Å; R483-A527 PolarHBondContact NH2-O 3.08Å; R483-L528 PolarHBondContact NH1-O 3.26Å; R483-L528 PolarHBondContact NH2-O 2.8Å; R483-A530 PolarHBondContact NH2-O 3.09Å
484	R	96	Very high	89.8	Confident	41 Å²	41	39.2 Å²	39.2	16%	0.155	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	139.6	-176.8	-176	-179.2	-65.1	160.1	9.2	111.9	I195 A196 S480 H481 V523 K524	I195-R484 HydrophobicContact CD1-CB 4.24Å; I195-R484 HydrophobicContact CG2-CB 4.14Å; I195-R484 HydrophobicContact CG2-CG 3.93Å; I195-R484 WeakPolarHBondContact CG2-O 3.34Å; A196-R484 PolarHBondContact N-O 3.24Å; S480-R484 PolarHBondContact O-N 3.14Å; H481-R484 PolarHBondContact CD2-NH1 3.42Å; H481-R484 VanDerWaalsContact CD2-NH1 3.28Å; H481-R484 PolarHBondContact NE2-NH1 3.41Å; H481-R484 WeakPolarHBondContact O-CB 3.47Å; H481-R484 PolarHBondContact O-N 3.03Å; R484-V523 HydrophobicContact CG-CG1 3.61Å; R484-K524 WeakPolarHBondContact CA-O 3.18Å
485	L	94.7	Very high	89.2	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	145.9	171.7	-46.8	179.4	0	0	0	109.8	A196 Y388 L393 V509 V523 K524 L526	A196-L485 HydrophobicContact CB-CD2 3.56Å; Y388-L485 WeakPolarHBondContact OH-CD1 3.24Å; L393-L485 HydrophobicContact CD1-CD1 4.09Å; L393-L485 HydrophobicContact CD1-CD2 3.93Å; L393-L485 HydrophobicContact CD2-CD1 4.22Å; L393-L485 HydrophobicContact CD2-CD2 4.19Å; L485-V509 HydrophobicContact CD1-CG2 3.97Å; L485-V523 WeakPolarHBondContact O-CA 3.18Å; L485-K524 HydrophobicContact CB-CB 4.32Å; L485-K524 PolarHBondContact N-O 3.35Å; L485-K524 PolarHBondContact O-N 2.82Å; L485-K524 VanDerWaalsContact O-N 3.08Å; L485-L526 HydrophobicContact CD1-CD2 3.88Å; L485-L526 HydrophobicContact CD1-CG 4.39Å; L485-L526 HydrophobicContact CD2-CD1 4.42Å; L485-L526 HydrophobicContact CD2-CD2 4.04Å; L485-L526 HydrophobicContact CD2-CG 4.05Å; L485-L526 HydrophobicContact CG-CD2 4.29Å; L485-L526 HydrophobicContact CG-CG 4.33Å
486	N	93.9	Very high	88.7	Confident	16 Å²	16	47.2 Å²	47.2	9%	0.086	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	123.9	177.6	-177.8	63.2	0	0	0	111.2	I195 A196 Q197 E198	I195-N486 HydrophobicContact CG2-CB 3.86Å; A196-N486 PolarHBondContact O-N 2.94Å; Q197-N486 PolarHBondContact OE1-ND2 3.44Å; E198-N486 PolarHBondContact N-O 2.8Å
487	S	90.6	Very high	87.9	Confident	5 Å²	5	54.4 Å²	54.4	4%	0.035	29%	0.29	C	S	.	.			trans	-79.9	126	168.6	-47.5	0	0	0	0	109.8	E198 I489 L522	E198-S487 WeakPolarHBondContact OE2-CB 3.37Å; E198-S487 PolarHBondContact OE2-OG 2.64Å; S487-I489 PolarHBondContact O-N 2.68Å; S487-L522 PolarHBondContact N-O 2.85Å; S487-L522 PolarHBondContact OG-O 2.59Å
488	P	84.3	Confident	87.4	Confident	72 Å²	72	55.4 Å²	55.4	47%	0.468	30%	0.296	S	S	.	.			trans	-77.4	29	-173.7	32.6	-38	0	0	0	114	E198	E198-P488 WeakPolarHBondContact O-CD 2.91Å; E198-P488 WeakPolarHBondContact O-CG 3.46Å
489	I	82.4	Confident	87.1	Confident	87 Å²	87	57.6 Å²	57.6	45%	0.446	30%	0.304	S	S	.	.	S	Bend	trans	-89.6	142.4	179.9	-60.8	176.2	0	0	0	109.3	S487 R491 P498 L522	S487-I489 PolarHBondContact O-N 2.68Å; I489-R491 PolarHBondContact O-N 3.2Å; I489-P498 HydrophobicContact CD1-CB 3.79Å; I489-P498 HydrophobicContact CD1-CG 3.71Å; I489-L522 HydrophobicContact CB-CD2 4.27Å
490	G	75.4	Confident	87	Confident	51 Å²	51	63.3 Å²	63.3	53%	0.526	33%	0.331	S	S	.	.			trans	-55.9	129.2	176.1	0	0	0	0	0	111.9	D492 G493	G490-D492 PolarHBondContact O-N 3.49Å; G490-G493 PolarHBondContact O-N 3.06Å
491	R	80.4	Confident	86.9	Confident	126 Å²	126	68.5 Å²	68.5	48%	0.475	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-21	-175.3	-64.5	-179.2	-179.1	178.5	0.7	113.4	I489 G493 R499 L522	I489-R491 PolarHBondContact O-N 3.2Å; R491-G493 VanDerWaalsContact C-N 3.32Å; R491-R499 PolarHBondContact O-NH2 3.21Å; R491-L522 HydrophobicContact CG-CD1 4.24Å
492	D	76.9	Confident	86.9	Confident	148 Å²	148	70.8 Å²	70.8	79%	0.791	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.1	-178.4	-54.1	-40.4	0	0	0	113	G490 K494	G490-D492 PolarHBondContact O-N 3.49Å; D492-K494 PolarHBondContact O-N 3.26Å
493	G	75.6	Confident	86.9	Confident	33 Å²	33	77.7 Å²	77.7	34%	0.34	41%	0.406	S	S	.	.			trans	-64.4	121.6	177.2	0	0	0	0	0	111.5	G490 R491 L495 R499	G490-G493 PolarHBondContact O-N 3.06Å; R491-G493 VanDerWaalsContact C-N 3.32Å; G493-L495 PolarHBondContact O-N 2.69Å; G493-R499 PolarHBondContact O-NH2 3.43Å
494	K	76.6	Confident	86.9	Confident	210 Å²	210	78.2 Å²	78.2	91%	0.913	41%	0.41	S	S	*	.			trans	-81.7	12.5	175.2	-63.3	-172.8	179.3	-178.2	0	113.9	D492 A496	D492-K494 PolarHBondContact O-N 3.26Å; K494-A496 PolarHBondContact O-N 3.3Å
495	L	83.5	Confident	86.9	Confident	133 Å²	133	76.8 Å²	76.8	70%	0.696	41%	0.405	S	S	*	.			trans	-69.7	128.9	177.1	-76.1	153.7	0	0	0	110	G493 R499	G493-L495 PolarHBondContact O-N 2.69Å; L495-R499 WeakPolarHBondContact O-CD 3.33Å
496	A	85.7	Confident	87	Confident	48 Å²	48	81.5 Å²	81.5	40%	0.397	42%	0.422	S	S	.	.			trans	-79.6	-35.8	-179.9	0	0	0	0	0	113.2	K494 R499 Q500	K494-A496 PolarHBondContact O-N 3.3Å; A496-R499 WeakPolarHBondContact O-CA 3.48Å; A496-R499 WeakPolarHBondContact O-CB 3.34Å; A496-R499 PolarHBondContact O-N 3.44Å; A496-Q500 HydrophobicContact CB-CG 4.49Å; A496-Q500 PolarHBondContact O-N 2.88Å; A496-Q500 VanDerWaalsContact O-N 3.09Å
497	K	77.1	Confident	87	Confident	159 Å²	159	81 Å²	81	69%	0.691	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	42.2	-173	-61.8	-170.1	171.9	-165.7	0	114.5
498	P	85.5	Confident	87.2	Confident	21 Å²	21	80.8 Å²	80.8	14%	0.136	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.9	-0.3	133.5	37.2	-29.6	0	0	0	113.1	I489	I489-P498 HydrophobicContact CD1-CB 3.79Å; I489-P498 HydrophobicContact CD1-CG 3.71Å
499	R	90.3	Very high	87.8	Confident	46 Å²	46	77.5 Å²	77.5	17%	0.174	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-21.7	-176.4	-59.4	177.5	179.3	-89.9	8.8	112.7	R491 G493 L495 A496 H518 V520 G521 L522	R491-R499 PolarHBondContact O-NH2 3.21Å; G493-R499 PolarHBondContact O-NH2 3.43Å; L495-R499 WeakPolarHBondContact O-CD 3.33Å; A496-R499 WeakPolarHBondContact O-CA 3.48Å; A496-R499 WeakPolarHBondContact O-CB 3.34Å; A496-R499 PolarHBondContact O-N 3.44Å; R499-H518 PolarHBondContact NH1-O 2.89Å; R499-H518 PolarHBondContact NH2-O 2.99Å; R499-V520 WeakPolarHBondContact CB-O 3.49Å; R499-V520 WeakPolarHBondContact CG-O 3.2Å; R499-V520 PolarHBondContact NH1-O 3.42Å; R499-G521 WeakPolarHBondContact O-CA 3.48Å; R499-L522 HydrophobicContact CG-CD2 4.24Å; R499-L522 HydrophobicContact CG-CG 4.39Å; R499-L522 VanDerWaalsContact NH1-CD1 3.35Å
500	Q	93	Very high	88.5	Confident	122 Å²	122	73.7 Å²	73.7	57%	0.57	38%	0.379	S	S	*	.	S	Bend	trans	-64.3	147	175.7	-73.4	175.9	-15.7	0	0	110.2	A496 H502	A496-Q500 HydrophobicContact CB-CG 4.49Å; A496-Q500 PolarHBondContact O-N 2.88Å; A496-Q500 VanDerWaalsContact O-N 3.09Å; Q500-H502 PolarHBondContact O-N 2.95Å
501	L	95.2	Very high	89.4	Confident	110 Å²	110	74.1 Å²	74.1	58%	0.576	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-68.7	124.1	170.1	-170.1	76.7	0	0	0	107.9	L505 P511	L501-L505 HydrophobicContact CD1-CB 4.42Å; L501-L505 HydrophobicContact CD1-CD1 3.54Å; L501-L505 HydrophobicContact CG-CD1 4.22Å; L501-P511 HydrophobicContact CD1-CB 4Å; L501-P511 HydrophobicContact CD2-CB 3.76Å
502	H	96.1	Very high	90.1	Very high	52 Å²	52	68.5 Å²	68.5	24%	0.241	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-100.9	148.8	177.2	-168	-89.3	0	0	0	109.9	D384 Q500 T504 L505	D384-H502 IonicContact OD2-CD2 3.94Å; D384-H502 IonicContact OD2-CE1 3.75Å; D384-H502 IonicContact OD2-NE2 3.8Å; D384-H502 PolarHBondContact OD2-NE2 3.19Å; D384-H502 VanDerWaalsContact OD2-NE2 3.09Å; Q500-H502 PolarHBondContact O-N 2.95Å; H502-T504 VanDerWaalsContact CE1-CG2 3.5Å; H502-T504 WeakPolarHBondContact CE1-CG2 3.35Å; H502-T504 WeakPolarHBondContact ND1-CG2 3.36Å; H502-T504 PolarHBondContact ND1-N 3.15Å; H502-T504 PolarHBondContact ND1-OG1 3.25Å; H502-T504 PolarHBondContact O-N 2.94Å; H502-L505 HydrophobicContact CB-CD1 4.43Å; H502-L505 HydrophobicContact CB-CG 4.43Å; H502-L505 VanDerWaalsContact O-CB 3.32Å; H502-L505 WeakPolarHBondContact O-CB 3.43Å; H502-L505 WeakPolarHBondContact O-CG 3.48Å; H502-L505 PolarHBondContact O-N 3.02Å; H502-L505 VanDerWaalsContact O-N 3.11Å
503	N	95.8	Very high	91	Very high	146 Å²	146	61.6 Å²	61.6	78%	0.781	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-60.7	-33	-174.1	-62.7	-7.1	0	0	0	112.7	L505 W506	N503-L505 PolarHBondContact O-N 3.32Å; N503-W506 WeakPolarHBondContact O-CB 3.38Å; N503-W506 PolarHBondContact O-N 2.93Å; N503-W506 VanDerWaalsContact O-N 3.13Å
504	T	96.3	Very high	91.9	Very high	16 Å²	16	61.2 Å²	61.2	10%	0.098	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-70.2	0.3	179.6	59.4	0	0	0	0	114.9	H387 Y388 H502 W506 T667	H387-T504 WeakPolarHBondContact CD2-CG2 3.41Å; H387-T504 WeakPolarHBondContact NE2-CG2 3.44Å; Y388-T504 PolarHBondContact N-OG1 2.89Å; H502-T504 VanDerWaalsContact CE1-CG2 3.5Å; H502-T504 WeakPolarHBondContact CE1-CG2 3.35Å; H502-T504 WeakPolarHBondContact ND1-CG2 3.36Å; H502-T504 PolarHBondContact ND1-N 3.15Å; H502-T504 PolarHBondContact ND1-OG1 3.25Å; H502-T504 PolarHBondContact O-N 2.94Å; T504-W506 VanDerWaalsContact C-N 3.3Å; T504-T667 HydrophobicContact CG2-CG2 4.16Å
505	L	95.5	Very high	92.7	Very high	10 Å²	10	53.1 Å²	53.1	5%	0.052	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-82.5	-12	171.8	-62	174.5	0	0	0	112.1	Y388 L501 H502 N503 G507 M508 V509	Y388-L505 HydrophobicContact CD1-CD2 4.46Å; Y388-L505 HydrophobicContact CD2-CD2 3.67Å; Y388-L505 HydrophobicContact CE2-CD2 3.91Å; Y388-L505 HydrophobicContact CG-CD2 3.97Å; L501-L505 HydrophobicContact CD1-CB 4.42Å; L501-L505 HydrophobicContact CD1-CD1 3.54Å; L501-L505 HydrophobicContact CG-CD1 4.22Å; H502-L505 HydrophobicContact CB-CD1 4.43Å; H502-L505 HydrophobicContact CB-CG 4.43Å; H502-L505 VanDerWaalsContact O-CB 3.32Å; H502-L505 WeakPolarHBondContact O-CB 3.43Å; H502-L505 WeakPolarHBondContact O-CG 3.48Å; H502-L505 PolarHBondContact O-N 3.02Å; H502-L505 VanDerWaalsContact O-N 3.11Å; N503-L505 PolarHBondContact O-N 3.32Å; L505-G507 PolarHBondContact O-N 2.68Å; L505-M508 PolarHBondContact O-N 3.31Å; L505-M508 VanDerWaalsContact O-N 3.15Å; L505-V509 HydrophobicContact CB-CB 4.22Å; L505-V509 HydrophobicContact CD2-CB 3.98Å; L505-V509 HydrophobicContact CD2-CG1 4.44Å; L505-V509 HydrophobicContact CD2-CG2 3.98Å; L505-V509 PolarHBondContact O-N 3.27Å
506	W	96.6	Very high	92.9	Very high	100 Å²	100	52.2 Å²	52.2	38%	0.379	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	131.7	179	-175.7	-97	0	0	0	111.7	N503 T504 M508 M677 I703	N503-W506 WeakPolarHBondContact O-CB 3.38Å; N503-W506 PolarHBondContact O-N 2.93Å; N503-W506 VanDerWaalsContact O-N 3.13Å; T504-W506 VanDerWaalsContact C-N 3.3Å; W506-M508 PolarHBondContact O-N 3.07Å; W506-M677 HydrophobicContact CZ2-CE 3.95Å; W506-M677 HydrophobicContact CZ2-SD 4.32Å; W506-I703 HydrophobicContact CD2-CG2 4.32Å; W506-I703 HydrophobicContact CE3-CD1 4.37Å; W506-I703 HydrophobicContact CH2-CD1 3.58Å; W506-I703 HydrophobicContact CH2-CG2 4.35Å; W506-I703 HydrophobicContact CZ2-CD1 4.22Å; W506-I703 HydrophobicContact CZ2-CG2 3.96Å; W506-I703 HydrophobicContact CZ3-CD1 3.67Å
507	G	93.6	Very high	93	Very high	6 Å²	6	52.4 Å²	52.4	6%	0.062	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	-17	-178.6	0	0	0	0	0	116.4	L505 A527	L505-G507 PolarHBondContact O-N 2.68Å; G507-A527 WeakPolarHBondContact O-CB 3.13Å
508	M	95.5	Very high	93.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-42.9	-173.9	-59.2	-57.7	-174.8	0	0	112.7	L505 W506 A527 A530 I621 C622 R623 I665	L505-M508 PolarHBondContact O-N 3.31Å; L505-M508 VanDerWaalsContact O-N 3.15Å; W506-M508 PolarHBondContact O-N 3.07Å; M508-A527 WeakPolarHBondContact O-CB 3.17Å; M508-A527 PolarHBondContact O-N 3.39Å; M508-A530 VanDerWaalsContact O-CB 3.25Å; M508-A530 WeakPolarHBondContact O-CB 3.17Å; M508-I621 HydrophobicContact CB-CD1 3.76Å; M508-I621 HydrophobicContact CB-CG1 4Å; M508-I621 HydrophobicContact CB-CG2 4.12Å; M508-I621 HydrophobicContact CG-CG1 4.28Å; M508-I621 HydrophobicContact CG-CG2 3.96Å; M508-I621 HydrophobicContact SD-CB 4.42Å; M508-I621 HydrophobicContact SD-CG1 3.85Å; M508-I621 HydrophobicContact SD-CG2 4.09Å; M508-C622 VanDerWaalsContact SD-C 3.54Å; M508-R623 HydrophobicContact CE-CB 4.06Å; M508-R623 HydrophobicContact CE-CG 3.69Å; M508-R623 HydrophobicContact SD-CB 3.89Å; M508-R623 HydrophobicContact SD-CG 4.12Å; M508-I665 WeakPolarHBondContact CE-O 3.18Å
509	V	96.7	Very high	93.8	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.024	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-130.9	136.5	-174.9	174.7	0	0	0	0	109.3	Y388 L485 L505 P511 K524 N525 I621	Y388-V509 HydrophobicContact CE1-CG2 4.4Å; L485-V509 HydrophobicContact CD1-CG2 3.97Å; L505-V509 HydrophobicContact CB-CB 4.22Å; L505-V509 HydrophobicContact CD2-CB 3.98Å; L505-V509 HydrophobicContact CD2-CG1 4.44Å; L505-V509 HydrophobicContact CD2-CG2 3.98Å; L505-V509 PolarHBondContact O-N 3.27Å; V509-P511 WeakPolarHBondContact O-CD 3.24Å; V509-K524 HydrophobicContact CG1-CB 3.71Å; V509-K524 HydrophobicContact CG1-CD 4.16Å; V509-K524 HydrophobicContact CG1-CG 4.34Å; V509-N525 WeakPolarHBondContact CG1-O 3.25Å; V509-I621 HydrophobicContact CG2-CD1 4.37Å
510	C	96.9	Very high	93.9	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.041	28%	0.283	C	S	.	.			trans	-64.3	125.6	-180	-179.4	0	0	0	0	111.4	A512 E513 N525 G705	C510-A512 PolarHBondContact O-N 3.21Å; C510-E513 HydrophobicContact CB-CB 3.89Å; C510-E513 VanDerWaalsContact SG-CB 3.58Å; C510-E513 PolarHBondContact SG-N 3.26Å; C510-E513 VanDerWaalsContact SG-N 3.43Å; C510-N525 PolarHBondContact N-O 3.14Å; C510-G705 VanDerWaalsContact CB-N 3.25Å; C510-G705 PolarHBondContact SG-N 3.14Å
511	P	95.6	Very high	93.8	Very high	60 Å²	60	46.8 Å²	46.8	39%	0.39	26%	0.26	S	S	.	.	S	Bend	trans	-71.5	-30.2	-179.8	27.6	-34.8	0	0	0	112.9	L501 V509	L501-P511 HydrophobicContact CD1-CB 4Å; L501-P511 HydrophobicContact CD2-CB 3.76Å; V509-P511 WeakPolarHBondContact O-CD 3.24Å
512	A	94.6	Very high	93.6	Very high	9 Å²	9	41.6 Å²	41.6	7%	0.074	23%	0.233	C	C	.	.	S	Bend	trans	-84.8	-26.7	-178.2	0	0	0	0	0	113.9	C510 T514 A708 N722 T723	C510-A512 PolarHBondContact O-N 3.21Å; A512-T514 PolarHBondContact O-N 3.36Å; A512-T514 VanDerWaalsContact O-N 3.15Å; A512-A708 HydrophobicContact CB-CB 4.3Å; A512-N722 HydrophobicContact CB-CB 4.02Å; A512-T723 VanDerWaalsContact O-CA 3.25Å; A512-T723 WeakPolarHBondContact O-CA 3.21Å; A512-T723 WeakPolarHBondContact O-CG2 3.36Å; A512-T723 PolarHBondContact O-OG1 3.02Å
513	E	95.5	Very high	93.5	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.009	23%	0.226	C	C	.	.			trans	-93.5	79.9	-164.8	-164.8	179.4	160	0	0	112.9	S480 C510 N525 V706 C707 K730	S480-E513 WeakPolarHBondContact CB-OE1 3.25Å; S480-E513 PolarHBondContact OG-OE1 3.44Å; C510-E513 HydrophobicContact CB-CB 3.89Å; C510-E513 VanDerWaalsContact SG-CB 3.58Å; C510-E513 PolarHBondContact SG-N 3.26Å; C510-E513 VanDerWaalsContact SG-N 3.43Å; E513-N525 HydrophobicContact CB-CB 4.31Å; E513-N525 HydrophobicContact CG-CB 4.08Å; E513-N525 WeakPolarHBondContact CG-ND2 3.47Å; E513-N525 PolarHBondContact O-ND2 3.03Å; E513-N525 VanDerWaalsContact OE1-CG 3.28Å; E513-N525 PolarHBondContact OE1-ND2 2.83Å; E513-V706 PolarHBondContact OE2-N 2.86Å; E513-C707 HydrophobicContact CG-CB 4.42Å; E513-C707 PolarHBondContact OE2-N 3.16Å; E513-C707 VanDerWaalsContact OE2-N 3.13Å; E513-K730 WeakPolarHBondContact OE1-CE 3.1Å; E513-K730 IonicContact OE1-NZ 2.67Å; E513-K730 PolarHBondContact OE1-NZ 2.73Å
514	T	94.9	Very high	93.5	Very high	26 Å²	26	33.8 Å²	33.8	16%	0.16	19%	0.193	C	C	.	.			trans	-129.3	146.6	172	176.5	0	0	0	0	110.3	A512 G521 T723	A512-T514 PolarHBondContact O-N 3.36Å; A512-T514 VanDerWaalsContact O-N 3.15Å; T514-G521 PolarHBondContact OG1-N 2.83Å; T514-T723 HydrophobicContact CG2-CG2 3.75Å
515	P	92.4	Very high	93.5	Very high	40 Å²	40	33.1 Å²	33.1	26%	0.26	19%	0.189	S	C	.	.			trans	-66.8	153.3	171.1	29.8	-35.9	0	0	0	111.4	A519 V520 V523	P515-A519 HydrophobicContact CG-CB 3.86Å; P515-V520 WeakPolarHBondContact O-CG2 3.49Å; P515-V523 WeakPolarHBondContact CD-O 3.4Å; P515-V523 HydrophobicContact CG-CB 3.8Å; P515-V523 HydrophobicContact CG-CG1 4.24Å; P515-V523 HydrophobicContact CG-CG2 4.45Å
516	E	88.3	Confident	93.6	Very high	113 Å²	113	32.8 Å²	32.8	53%	0.528	19%	0.187	S	C	.	.	S	Bend	trans	-75.7	152.9	169	-64.9	168.4	-148.2	0	0	111.3	Y724	E516-Y724 HydrophobicContact CG-CD1 4.09Å; E516-Y724 HydrophobicContact CG-CE1 4.16Å; E516-Y724 WeakPolarHBondContact OE1-CD1 3.47Å
517	G	88.6	Confident	93.6	Very high	53 Å²	53	28 Å²	28	55%	0.546	17%	0.169	S	C	.	.	S	Bend	trans	92.6	-143.7	174	0	0	0	0	0	115.2	A519 V520	G517-A519 PolarHBondContact O-N 3.18Å; G517-A519 VanDerWaalsContact O-N 3.12Å; G517-V520 WeakPolarHBondContact O-CG2 3.39Å; G517-V520 PolarHBondContact O-N 3.45Å
518	H	87.6	Confident	93.6	Very high	148 Å²	148	27.9 Å²	27.9	69%	0.685	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.5	-170.4	-61.4	-75.7	0	0	0	115	R499	R499-H518 PolarHBondContact NH1-O 2.89Å; R499-H518 PolarHBondContact NH2-O 2.99Å
519	A	90.1	Very high	93.6	Very high	15 Å²	15	28.3 Å²	28.3	12%	0.124	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	6.7	-178.5	0	0	0	0	0	113.6	P515 G517 G521 L522 V523	P515-A519 HydrophobicContact CG-CB 3.86Å; G517-A519 PolarHBondContact O-N 3.18Å; G517-A519 VanDerWaalsContact O-N 3.12Å; A519-G521 PolarHBondContact O-N 3.14Å; A519-L522 PolarHBondContact O-N 3.39Å; A519-V523 HydrophobicContact CB-CG2 4.11Å; A519-V523 PolarHBondContact O-N 3.1Å
520	V	93.3	Very high	93.6	Very high	57 Å²	57	28.1 Å²	28.1	35%	0.345	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	126.9	176.9	171.4	0	0	0	0	109.8	R499 P515 G517 L522	R499-V520 WeakPolarHBondContact CB-O 3.49Å; R499-V520 WeakPolarHBondContact CG-O 3.2Å; R499-V520 PolarHBondContact NH1-O 3.42Å; P515-V520 WeakPolarHBondContact O-CG2 3.49Å; G517-V520 WeakPolarHBondContact O-CG2 3.39Å; G517-V520 PolarHBondContact O-N 3.45Å; V520-L522 PolarHBondContact O-N 2.85Å; V520-L522 VanDerWaalsContact O-N 3.09Å
521	G	90.8	Very high	93.5	Very high	9 Å²	9	29.1 Å²	29.1	9%	0.093	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	-9.3	178.6	0	0	0	0	0	115.6	R499 T514 A519 K524	R499-G521 WeakPolarHBondContact O-CA 3.48Å; T514-G521 PolarHBondContact OG1-N 2.83Å; A519-G521 PolarHBondContact O-N 3.14Å; G521-K524 WeakPolarHBondContact O-CE 3.43Å
522	L	91.9	Very high	93.6	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-30.6	174.3	-61.3	-179.4	0	0	0	112.1	S487 I489 R491 R499 A519 V520	S487-L522 PolarHBondContact N-O 2.85Å; S487-L522 PolarHBondContact OG-O 2.59Å; I489-L522 HydrophobicContact CB-CD2 4.27Å; R491-L522 HydrophobicContact CG-CD1 4.24Å; R499-L522 HydrophobicContact CG-CD2 4.24Å; R499-L522 HydrophobicContact CG-CG 4.39Å; R499-L522 VanDerWaalsContact NH1-CD1 3.35Å; A519-L522 PolarHBondContact O-N 3.39Å; V520-L522 PolarHBondContact O-N 2.85Å; V520-L522 VanDerWaalsContact O-N 3.09Å
523	V	94.1	Very high	93.6	Very high	15 Å²	15	25.9 Å²	25.9	9%	0.091	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.9	174.1	175.9	0	0	0	0	107.9	R484 L485 P515 A519	R484-V523 HydrophobicContact CG-CG1 3.61Å; L485-V523 WeakPolarHBondContact O-CA 3.18Å; P515-V523 WeakPolarHBondContact CD-O 3.4Å; P515-V523 HydrophobicContact CG-CB 3.8Å; P515-V523 HydrophobicContact CG-CG1 4.24Å; P515-V523 HydrophobicContact CG-CG2 4.45Å; A519-V523 HydrophobicContact CB-CG2 4.11Å; A519-V523 PolarHBondContact O-N 3.1Å
524	K	95	Very high	93.4	Very high	19 Å²	19	27.4 Å²	27.4	8%	0.083	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	165.8	-176.5	-53.8	173.3	-164	155.7	0	109.8	E198 R484 L485 V509 G521	E198-K524 WeakPolarHBondContact OE1-CD 3.3Å; E198-K524 WeakPolarHBondContact OE1-CE 3.47Å; E198-K524 IonicContact OE1-NZ 2.79Å; E198-K524 PolarHBondContact OE1-NZ 2.81Å; E198-K524 IonicContact OE2-NZ 3.93Å; E198-K524 PolarHBondContact OE2-NZ 2.81Å; R484-K524 WeakPolarHBondContact CA-O 3.18Å; L485-K524 HydrophobicContact CB-CB 4.32Å; L485-K524 PolarHBondContact N-O 3.35Å; L485-K524 PolarHBondContact O-N 2.82Å; L485-K524 VanDerWaalsContact O-N 3.08Å; V509-K524 HydrophobicContact CG1-CB 3.71Å; V509-K524 HydrophobicContact CG1-CD 4.16Å; V509-K524 HydrophobicContact CG1-CG 4.34Å; G521-K524 WeakPolarHBondContact O-CE 3.43Å
525	N	96.2	Very high	93.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.2	177	-59.9	-85.8	0	0	0	109.2	S480 V509 C510 E513	S480-N525 PolarHBondContact O-OD1 3.02Å; S480-N525 VanDerWaalsContact O-OD1 3.13Å; V509-N525 WeakPolarHBondContact CG1-O 3.25Å; C510-N525 PolarHBondContact N-O 3.14Å; E513-N525 HydrophobicContact CB-CB 4.31Å; E513-N525 HydrophobicContact CG-CB 4.08Å; E513-N525 WeakPolarHBondContact CG-ND2 3.47Å; E513-N525 PolarHBondContact O-ND2 3.03Å; E513-N525 VanDerWaalsContact OE1-CG 3.28Å; E513-N525 PolarHBondContact OE1-ND2 2.83Å
526	L	96.8	Very high	93	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.016	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-60.8	145.1	179.6	-66.1	167.2	0	0	0	111.5	Q42 R483 L485 A530 I532 I621	Q42-L526 HydrophobicContact CG-CD1 4.23Å; R483-L526 HydrophobicContact CB-CB 4.25Å; R483-L526 HydrophobicContact CB-CD1 4.31Å; R483-L526 PolarHBondContact O-N 3.13Å; R483-L526 VanDerWaalsContact O-N 3.12Å; L485-L526 HydrophobicContact CD1-CD2 3.88Å; L485-L526 HydrophobicContact CD1-CG 4.39Å; L485-L526 HydrophobicContact CD2-CD1 4.42Å; L485-L526 HydrophobicContact CD2-CD2 4.04Å; L485-L526 HydrophobicContact CD2-CG 4.05Å; L485-L526 HydrophobicContact CG-CD2 4.29Å; L485-L526 HydrophobicContact CG-CG 4.33Å; L526-A530 HydrophobicContact CB-CB 4.4Å; L526-A530 HydrophobicContact CD2-CB 4.33Å; L526-I532 HydrophobicContact CD1-CD1 3.87Å; L526-I532 HydrophobicContact CD2-CD1 4.11Å; L526-I621 HydrophobicContact CD2-CD1 3.37Å; L526-I621 HydrophobicContact CD2-CG1 4.49Å
527	A	96.6	Very high	93.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.15	C	C	.	.			trans	-68.3	164.9	168.9	0	0	0	0	0	110.9	R483 G507 M508 M529 A530 L704	R483-A527 VanDerWaalsContact CZ-O 3.23Å; R483-A527 PolarHBondContact NH1-O 3.2Å; R483-A527 PolarHBondContact NH2-O 3.08Å; G507-A527 WeakPolarHBondContact O-CB 3.13Å; M508-A527 WeakPolarHBondContact O-CB 3.17Å; M508-A527 PolarHBondContact O-N 3.39Å; A527-M529 PolarHBondContact O-N 2.99Å; A527-A530 HydrophobicContact CB-CB 4.23Å; A527-A530 PolarHBondContact O-N 3.28Å; A527-L704 CarbonylContact C-O 3.59Å; A527-L704 WeakPolarHBondContact CA-O 3.34Å
528	L	95.1	Very high	93.2	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-53.8	-170.5	-79.2	-178.5	0	0	0	113.4	F34 R483 M702 L704 S709 L767	F34-L528 HydrophobicContact CZ-CB 3.98Å; R483-L528 PolarHBondContact NH1-O 3.26Å; R483-L528 PolarHBondContact NH2-O 2.8Å; L528-M702 HydrophobicContact CB-SD 4.08Å; L528-M702 HydrophobicContact CD1-CE 3.91Å; L528-M702 HydrophobicContact CD1-SD 4.06Å; L528-M702 PolarHBondContact N-O 2.97Å; L528-L704 WeakPolarHBondContact CG-O 3.44Å; L528-L704 PolarHBondContact N-O 3.05Å; L528-S709 WeakPolarHBondContact CD1-OG 3.44Å; L528-L767 HydrophobicContact CD2-CD2 3.98Å
529	M	95.4	Very high	93.4	Very high	9 Å²	9	19.4 Å²	19.4	4%	0.044	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	8.5	-178.6	-63.5	-173.1	83.8	0	0	114.4	I30 Y33 F34 A527 Y531 P624 W653 I698 M702	I30-M529 HydrophobicContact CG1-SD 4.19Å; Y33-M529 HydrophobicContact CD1-CE 3.93Å; Y33-M529 HydrophobicContact CD1-CG 4.25Å; Y33-M529 HydrophobicContact CD2-CE 3.87Å; Y33-M529 HydrophobicContact CE1-CB 4.3Å; Y33-M529 HydrophobicContact CE1-CE 4.42Å; Y33-M529 HydrophobicContact CE1-CG 4.16Å; Y33-M529 HydrophobicContact CE2-CE 4.33Å; Y33-M529 HydrophobicContact CG-CE 3.65Å; Y33-M529 PolarHBondContact OH-O 3.09Å; F34-M529 HydrophobicContact CE2-CG 4.41Å; F34-M529 HydrophobicContact CZ-CG 4.11Å; A527-M529 PolarHBondContact O-N 2.99Å; M529-Y531 PolarHBondContact O-N 3.18Å; M529-P624 HydrophobicContact CB-CG 4.21Å; M529-P624 HydrophobicContact CE-CG 3.5Å; M529-P624 WeakPolarHBondContact O-CD 3.33Å; M529-P624 HydrophobicContact SD-CG 4.4Å; M529-W653 HydrophobicContact CE-CH2 4.36Å; M529-I698 HydrophobicContact CE-CD1 3.75Å; M529-I698 HydrophobicContact SD-CD1 4.15Å; M529-M702 HydrophobicContact CG-CB 4.1Å; M529-M702 HydrophobicContact CG-CG 3.94Å; M529-M702 HydrophobicContact CG-SD 3.75Å; M529-M702 HydrophobicContact SD-CB 4.12Å; M529-M702 HydrophobicContact SD-CG 3.61Å; M529-M702 HydrophobicContact SD-SD 3.95Å
530	A	95.9	Very high	93.5	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.008	13%	0.131	C	C	.	.			trans	-67	122.8	176.7	0	0	0	0	0	110.6	R483 M508 L526 A527 I621	R483-A530 PolarHBondContact NH2-O 3.09Å; M508-A530 VanDerWaalsContact O-CB 3.25Å; M508-A530 WeakPolarHBondContact O-CB 3.17Å; L526-A530 HydrophobicContact CB-CB 4.4Å; L526-A530 HydrophobicContact CD2-CB 4.33Å; A527-A530 HydrophobicContact CB-CB 4.23Å; A527-A530 PolarHBondContact O-N 3.28Å; A530-I621 HydrophobicContact CB-CD1 4.26Å; A530-I621 HydrophobicContact CB-CG1 4.35Å
531	Y	95.6	Very high	93.4	Very high	26 Å²	26	18.9 Å²	18.9	10%	0.102	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	150	175	-179.1	-111	0	0	0	109.8	M529 E600 I621 C622 Y664	M529-Y531 PolarHBondContact O-N 3.18Å; Y531-E600 HydrophobicContact CE1-CG 4.02Å; Y531-E600 WeakPolarHBondContact CE1-OE1 3.47Å; Y531-E600 VanDerWaalsContact CZ-OE1 3.24Å; Y531-E600 PolarHBondContact OH-OE1 3.16Å; Y531-I621 WeakPolarHBondContact O-CA 3.45Å; Y531-C622 WeakPolarHBondContact CD1-SG 3.34Å; Y531-C622 PolarHBondContact N-O 2.84Å; Y531-C622 PolarHBondContact O-N 2.8Å; Y531-C622 PolarHBondContact O-SG 2.85Å; Y531-Y664 HydrophobicContact CD1-CD1 4.25Å; Y531-Y664 HydrophobicContact CD1-CE1 4.16Å; Y531-Y664 HydrophobicContact CG-CE1 4.16Å
532	I	96.2	Very high	93.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	127.7	178	-60	172.6	0	0	0	107.8	Q42 L393 L395 L526 R620 I621	Q42-I532 HydrophobicContact CB-CB 4.29Å; Q42-I532 HydrophobicContact CB-CD1 4.46Å; Q42-I532 HydrophobicContact CG-CD1 4.29Å; L393-I532 HydrophobicContact CB-CD1 4.43Å; L393-I532 HydrophobicContact CB-CG2 4.48Å; L393-I532 HydrophobicContact CD1-CD1 3.6Å; L393-I532 HydrophobicContact CD1-CG1 4.1Å; L395-I532 HydrophobicContact CD1-CB 3.89Å; L395-I532 HydrophobicContact CD1-CD1 4.13Å; L395-I532 HydrophobicContact CD1-CG2 3.57Å; L395-I532 HydrophobicContact CD2-CD1 3.83Å; L395-I532 HydrophobicContact CG-CD1 4.33Å; L395-I532 HydrophobicContact CG-CG2 4.13Å; L526-I532 HydrophobicContact CD1-CD1 3.87Å; L526-I532 HydrophobicContact CD2-CD1 4.11Å; I532-R620 CarbonylContact C-O 3.56Å; I532-R620 VanDerWaalsContact CA-O 3.25Å; I532-R620 WeakPolarHBondContact CA-O 3.45Å; I532-I621 HydrophobicContact CG1-CG1 4.44Å
533	S	95.1	Very high	93.4	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.014	15%	0.147	C	C	.	.			trans	-60.6	137.3	179.8	66.3	0	0	0	0	111.5	E600 D617 A618 G619 R620	S533-E600 WeakPolarHBondContact CA-OE2 3.42Å; S533-E600 WeakPolarHBondContact CB-OE2 3.44Å; S533-D617 PolarHBondContact OG-O 2.64Å; S533-A618 WeakPolarHBondContact OG-CA 3.09Å; S533-G619 PolarHBondContact O-N 3.24Å; S533-G619 PolarHBondContact OG-N 2.93Å; S533-G619 VanDerWaalsContact OG-N 3.09Å; S533-R620 PolarHBondContact N-O 2.63Å; S533-R620 WeakPolarHBondContact OG-CB 3.48Å; S533-R620 PolarHBondContact OG-N 2.76Å
534	V	91.9	Very high	93.2	Very high	34 Å²	34	26.4 Å²	26.4	21%	0.206	15%	0.148	C	C	.	.			trans	-87.5	-20.5	170.1	-67.1	0	0	0	0	112.1	D45 E600 A618	D45-V534 HydrophobicContact CB-CG1 3.72Å; V534-E600 WeakPolarHBondContact CG2-OE1 3.24Å; V534-E600 PolarHBondContact N-OE1 2.99Å; V534-E600 PolarHBondContact N-OE2 3.22Å; V534-A618 WeakPolarHBondContact O-CB 3.35Å
535	G	89.1	Confident	93	Very high	23 Å²	23	25.5 Å²	25.5	24%	0.237	15%	0.145	C	C	.	.			trans	96.3	147.2	177.4	0	0	0	0	0	112.6	E600 T616	G535-E600 PolarHBondContact N-OE2 3.45Å; G535-E600 VanDerWaalsContact N-OE2 3.08Å; G535-T616 VanDerWaalsContact CA-O 3.3Å; G535-T616 WeakPolarHBondContact CA-O 3.37Å
536	S	89.4	Confident	92.6	Very high	22 Å²	22	30.3 Å²	30.3	15%	0.154	17%	0.167	C	C	.	.			trans	-132.4	162.4	-179.9	64	0	0	0	0	110.6	T616	S536-T616 PolarHBondContact N-O 2.74Å
537	Q	89.6	Confident	92.2	Very high	81 Å²	81	38.1 Å²	38.1	38%	0.379	20%	0.203	S	C	.	.			trans	-74	137	177.2	-64	-52.8	-73.5	0	0	111	R57 P540	R57-Q537 VanDerWaalsContact NH2-CD 3.29Å; Q537-P540 WeakPolarHBondContact O-CD 3.26Å
538	P	90.9	Very high	91.4	Very high	23 Å²	23	42 Å²	42	15%	0.149	22%	0.218	C	C	.	.	S	Bend	trans	-79.3	-15.5	177.6	30.3	-34.8	0	0	0	113.7	I541 L542 V569	P538-I541 WeakPolarHBondContact O-CB 3.29Å; P538-I541 PolarHBondContact O-N 2.86Å; P538-L542 PolarHBondContact O-N 2.82Å; P538-V569 HydrophobicContact CB-CG1 3.97Å
539	S	91.7	Very high	90.8	Very high	63 Å²	63	46.1 Å²	46.1	44%	0.441	25%	0.247	S	C	.	.	H	α-helix	trans	-51.6	-49.3	-174	-157.5	0	0	0	0	114.1	I541 L542 E543	S539-I541 PolarHBondContact O-N 3.05Å; S539-L542 PolarHBondContact O-N 3.31Å; S539-L542 VanDerWaalsContact O-N 3.13Å; S539-E543 PolarHBondContact O-N 3Å
540	P	92.1	Very high	90.3	Very high	55 Å²	55	46.4 Å²	46.4	36%	0.357	25%	0.248	S	C	.	.	H	α-helix	trans	-65.1	-27.2	-179.1	-20.7	34.5	0	0	0	113.2	Q537 F544 I596	Q537-P540 WeakPolarHBondContact O-CD 3.26Å; P540-F544 PolarHBondContact O-N 2.93Å; P540-F544 VanDerWaalsContact O-N 3.15Å; P540-I596 HydrophobicContact CB-CG2 3.8Å
541	I	90.9	Very high	89.9	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-76.2	-37.9	177.6	-64.2	157.4	0	0	0	109.9	P538 S539 F544 L545 I597 V601 I614 T616	P538-I541 WeakPolarHBondContact O-CB 3.29Å; P538-I541 PolarHBondContact O-N 2.86Å; S539-I541 PolarHBondContact O-N 3.05Å; I541-F544 PolarHBondContact O-N 2.93Å; I541-L545 HydrophobicContact CG2-CD1 3.99Å; I541-L545 HydrophobicContact CG2-CG 4.39Å; I541-L545 WeakPolarHBondContact O-CB 3.25Å; I541-L545 WeakPolarHBondContact O-CG 3.46Å; I541-L545 PolarHBondContact O-N 2.68Å; I541-I597 HydrophobicContact CG1-CG1 4.47Å; I541-V601 HydrophobicContact CD1-CG1 4.21Å; I541-V601 HydrophobicContact CD1-CG2 4.06Å; I541-I614 HydrophobicContact CG2-CD1 4.47Å; I541-I614 HydrophobicContact CG2-CG2 4.44Å; I541-T616 HydrophobicContact CD1-CG2 3.37Å
542	L	91.4	Very high	89.6	Confident	44 Å²	44	50.6 Å²	50.6	23%	0.23	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-45.7	174.6	-65.8	172.4	0	0	0	111	P538 S539 F544 L545 E546 V569 V574	P538-L542 PolarHBondContact O-N 2.82Å; S539-L542 PolarHBondContact O-N 3.31Å; S539-L542 VanDerWaalsContact O-N 3.13Å; L542-F544 VanDerWaalsContact C-N 3.34Å; L542-F544 PolarHBondContact O-N 2.83Å; L542-L545 PolarHBondContact O-N 3.39Å; L542-E546 WeakPolarHBondContact O-CB 3.43Å; L542-E546 WeakPolarHBondContact O-CG 3.45Å; L542-E546 PolarHBondContact O-N 2.79Å; L542-V569 HydrophobicContact CD2-CB 4.11Å; L542-V569 HydrophobicContact CD2-CG1 4.24Å; L542-V569 HydrophobicContact CD2-CG2 3.91Å; L542-V574 HydrophobicContact CD2-CB 4.4Å; L542-V574 HydrophobicContact CD2-CG1 3.84Å; L542-V574 HydrophobicContact CD2-CG2 3.74Å
543	E	91.5	Very high	89	Confident	114 Å²	114	50.8 Å²	50.8	53%	0.533	27%	0.271	S	S	.	.	H	α-helix	trans	-56.3	-47.6	175.3	-72.1	172.3	-167.1	0	0	111.3	S539 L545 E546 E547	S539-E543 PolarHBondContact O-N 3Å; E543-L545 PolarHBondContact O-N 3.13Å; E543-E546 PolarHBondContact O-N 2.97Å; E543-E547 WeakPolarHBondContact O-CG 3.31Å; E543-E547 PolarHBondContact O-N 2.87Å
544	F	91.3	Very high	88.4	Confident	26 Å²	26	56.2 Å²	56.2	11%	0.114	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-43.1	176.5	174.9	-96.9	0	0	0	113	P540 I541 L542 W548 T586 L587 L590 I596	P540-F544 PolarHBondContact O-N 2.93Å; P540-F544 VanDerWaalsContact O-N 3.15Å; I541-F544 PolarHBondContact O-N 2.93Å; L542-F544 VanDerWaalsContact C-N 3.34Å; L542-F544 PolarHBondContact O-N 2.83Å; F544-W548 HydrophobicContact CE2-CE3 4.33Å; F544-W548 HydrophobicContact CZ-CD2 4.41Å; F544-W548 HydrophobicContact CZ-CE3 4.1Å; F544-W548 WeakPolarHBondContact O-CB 3.21Å; F544-W548 PolarHBondContact O-N 2.8Å; F544-W548 VanDerWaalsContact O-N 3.12Å; F544-T586 HydrophobicContact CZ-CG2 4Å; F544-L587 HydrophobicContact CD1-CD2 3.78Å; F544-L587 HydrophobicContact CE1-CD2 3.49Å; F544-L587 VanDerWaalsContact CE1-CD2 3.49Å; F544-L587 HydrophobicContact CE1-CG 4.33Å; F544-L590 HydrophobicContact CD1-CD1 4.39Å; F544-L590 HydrophobicContact CD2-CD1 4.15Å; F544-L590 HydrophobicContact CE1-CD1 3.86Å; F544-L590 HydrophobicContact CE2-CD1 3.57Å; F544-L590 HydrophobicContact CZ-CD1 3.41Å; F544-L590 VanDerWaalsContact CZ-CD1 3.41Å; F544-I596 HydrophobicContact CD2-CD1 4.11Å
545	L	90.4	Very high	88	Confident	1 Å²	1	62 Å²	62	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-66.3	-42.6	179.7	-70.1	169.3	0	0	0	110.9	I541 L542 E543 E547 W548 M550 I567 V569 L583 L587 I614	I541-L545 HydrophobicContact CG2-CD1 3.99Å; I541-L545 HydrophobicContact CG2-CG 4.39Å; I541-L545 WeakPolarHBondContact O-CB 3.25Å; I541-L545 WeakPolarHBondContact O-CG 3.46Å; I541-L545 PolarHBondContact O-N 2.68Å; L542-L545 PolarHBondContact O-N 3.39Å; E543-L545 PolarHBondContact O-N 3.13Å; L545-E547 VanDerWaalsContact C-N 3.32Å; L545-E547 PolarHBondContact O-N 2.85Å; L545-W548 CarbonylContact O-C 3.56Å; L545-W548 PolarHBondContact O-N 3.01Å; L545-M550 HydrophobicContact CB-SD 3.38Å; L545-M550 WeakPolarHBondContact CB-SD 2.97Å; L545-M550 WeakPolarHBondContact O-CB 3.44Å; L545-M550 WeakPolarHBondContact O-CG 3.29Å; L545-I567 HydrophobicContact CD1-CG2 4.3Å; L545-V569 HydrophobicContact CD1-CG2 3.88Å; L545-L583 HydrophobicContact CD2-CD1 4Å; L545-L583 HydrophobicContact CD2-CD2 4.31Å; L545-L587 HydrophobicContact CD2-CD2 4.49Å; L545-I614 HydrophobicContact CD1-CD1 4.03Å
546	E	88.4	Confident	87.8	Confident	102 Å²	102	61.7 Å²	61.7	48%	0.477	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-37.7	179.6	-76	178.4	-170.9	0	0	111.9	L542 E543 W548 M550	L542-E546 WeakPolarHBondContact O-CB 3.43Å; L542-E546 WeakPolarHBondContact O-CG 3.45Å; L542-E546 PolarHBondContact O-N 2.79Å; E543-E546 PolarHBondContact O-N 2.97Å; E546-W548 VanDerWaalsContact C-N 3.32Å; E546-M550 HydrophobicContact CB-SD 4.39Å; E546-M550 HydrophobicContact CG-SD 3.89Å; E546-M550 PolarHBondContact N-SD 2.86Å
547	E	87.6	Confident	87.4	Confident	166 Å²	166	64 Å²	64	78%	0.776	33%	0.33	S	S	*	.	H	α-helix	trans	-68.4	-31.5	172.3	-70.6	179.8	176.2	0	0	112.5	E543 L545 S549	E543-E547 WeakPolarHBondContact O-CG 3.31Å; E543-E547 PolarHBondContact O-N 2.87Å; L545-E547 VanDerWaalsContact C-N 3.32Å; L545-E547 PolarHBondContact O-N 2.85Å; E547-S549 PolarHBondContact O-N 2.79Å
548	W	79.8	Confident	86.9	Confident	83 Å²	83	61.2 Å²	61.2	31%	0.314	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	72.5	-176.4	-162	-82.3	0	0	0	113	F544 L545 E546 M550 H577 L583 T586	F544-W548 HydrophobicContact CE2-CE3 4.33Å; F544-W548 HydrophobicContact CZ-CD2 4.41Å; F544-W548 HydrophobicContact CZ-CE3 4.1Å; F544-W548 WeakPolarHBondContact O-CB 3.21Å; F544-W548 PolarHBondContact O-N 2.8Å; F544-W548 VanDerWaalsContact O-N 3.12Å; L545-W548 CarbonylContact O-C 3.56Å; L545-W548 PolarHBondContact O-N 3.01Å; E546-W548 VanDerWaalsContact C-N 3.32Å; W548-M550 PolarHBondContact O-N 2.95Å; W548-H577 AromaticContact CD1-NE2 3.79Å; W548-L583 HydrophobicContact CG-CD1 4.26Å; W548-T586 HydrophobicContact CH2-CG2 4.21Å; W548-T586 HydrophobicContact CZ2-CG2 4.49Å; W548-T586 HydrophobicContact CZ3-CG2 4.38Å
549	S	81.7	Confident	86.2	Confident	88 Å²	88	64.2 Å²	64.2	62%	0.615	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.2	28.4	169.1	64.8	0	0	0	0	116.8	E547 H577	E547-S549 PolarHBondContact O-N 2.79Å; S549-H577 PolarHBondContact O-CD2 3.16Å; S549-H577 PolarHBondContact OG-NE2 3.29Å
550	M	86.3	Confident	85.8	Confident	16 Å²	16	62.8 Å²	62.8	8%	0.079	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-84.1	142.5	173.8	76.6	175.7	-84.5	0	0	108.5	L545 E546 W548 V574	L545-M550 HydrophobicContact CB-SD 3.38Å; L545-M550 WeakPolarHBondContact CB-SD 2.97Å; L545-M550 WeakPolarHBondContact O-CB 3.44Å; L545-M550 WeakPolarHBondContact O-CG 3.29Å; E546-M550 HydrophobicContact CB-SD 4.39Å; E546-M550 HydrophobicContact CG-SD 3.89Å; E546-M550 PolarHBondContact N-SD 2.86Å; W548-M550 PolarHBondContact O-N 2.95Å; M550-V574 HydrophobicContact CE-CB 4.1Å; M550-V574 HydrophobicContact CE-CG1 3.55Å
551	E	87.9	Confident	85.4	Confident	69 Å²	69	60.1 Å²	60.1	32%	0.322	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	124	174.6	-59.2	174.2	-168.8	0	0	108.3	I556 G575 I576 K578	E551-I556 HydrophobicContact CB-CG2 3.43Å; E551-I556 VanDerWaalsContact CB-CG2 3.43Å; E551-I556 HydrophobicContact CG-CG2 4.48Å; E551-G575 CarbonylContact O-C 3.5Å; E551-G575 WeakPolarHBondContact O-CA 3.32Å; E551-I576 HydrophobicContact CB-CG1 3.99Å; E551-I576 PolarHBondContact N-O 3.27Å; E551-I576 PolarHBondContact O-N 3.41Å; E551-K578 IonicContact OE1-NZ 3.87Å
552	N	88.1	Confident	85.1	Confident	45 Å²	45	62.2 Å²	62.2	24%	0.241	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	145.5	179.8	-81.7	-31.1	0	0	0	111.5	E554 E555 I556	N552-E554 PolarHBondContact O-N 3.32Å; N552-E555 HydrophobicContact CB-CG 4.31Å; N552-E555 PolarHBondContact O-N 3.44Å; N552-I556 WeakPolarHBondContact O-CG2 3.37Å; N552-I556 PolarHBondContact O-N 3.34Å
553	L	83.4	Confident	84.8	Confident	5 Å²	5	66.2 Å²	66.2	3%	0.026	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.1	-179.2	-88.1	166.1	0	0	0	115.2	Y363 E555 I556 W573 V574	Y363-L553 HydrophobicContact CD1-CD2 4.21Å; Y363-L553 HydrophobicContact CD2-CD2 4.1Å; Y363-L553 HydrophobicContact CE2-CD2 4.46Å; Y363-L553 HydrophobicContact CG-CD2 3.96Å; L553-E555 VanDerWaalsContact C-N 3.34Å; L553-I556 HydrophobicContact CD2-CD1 3.87Å; L553-I556 WeakPolarHBondContact O-CG1 3.41Å; L553-W573 HydrophobicContact CD1-CB 3.92Å; L553-W573 HydrophobicContact CD1-CD2 3.82Å; L553-W573 HydrophobicContact CD1-CE3 4.33Å; L553-W573 HydrophobicContact CD1-CG 3.64Å; L553-W573 WeakPolarHBondContact CD1-O 3.15Å; L553-W573 HydrophobicContact CD2-CD2 3.73Å; L553-W573 VanDerWaalsContact CD2-CE2 3.45Å; L553-W573 HydrophobicContact CD2-CE3 4.04Å; L553-W573 HydrophobicContact CD2-CG 4.35Å; L553-W573 HydrophobicContact CD2-CH2 3.86Å; L553-W573 HydrophobicContact CD2-CZ2 3.52Å; L553-W573 HydrophobicContact CD2-CZ3 4.11Å; L553-W573 HydrophobicContact CG-CD2 4.26Å; L553-W573 HydrophobicContact CG-CG 4.37Å; L553-V574 PolarHBondContact N-O 3.14Å
554	E	83.9	Confident	84.7	Confident	115 Å²	115	60.9 Å²	60.9	54%	0.537	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-19.6	-179.9	-65.2	-179.4	177.9	0	0	112.8	K360 N552	K360-E554 WeakPolarHBondContact CE-OE1 3.42Å; K360-E554 HydrophobicContact CG-CG 4.45Å; K360-E554 IonicContact NZ-OE1 3.75Å; K360-E554 PolarHBondContact NZ-OE1 3.1Å; N552-E554 PolarHBondContact O-N 3.32Å
555	E	83.3	Confident	84.7	Confident	155 Å²	155	60.1 Å²	60.1	72%	0.724	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-16.1	-173.4	-62.7	178.9	175.5	0	0	112.8	N552 L553	N552-E555 HydrophobicContact CB-CG 4.31Å; N552-E555 PolarHBondContact O-N 3.44Å; L553-E555 VanDerWaalsContact C-N 3.34Å
556	I	83.6	Confident	84.9	Confident	17 Å²	17	60.9 Å²	60.9	9%	0.087	34%	0.336	C	S	.	.			trans	-88.3	146.5	-171.3	59.2	170.4	0	0	0	113.6	E551 N552 L553 I561 I576	E551-I556 HydrophobicContact CB-CG2 3.43Å; E551-I556 VanDerWaalsContact CB-CG2 3.43Å; E551-I556 HydrophobicContact CG-CG2 4.48Å; N552-I556 WeakPolarHBondContact O-CG2 3.37Å; N552-I556 PolarHBondContact O-N 3.34Å; L553-I556 HydrophobicContact CD2-CD1 3.87Å; L553-I556 WeakPolarHBondContact O-CG1 3.41Å; I556-I561 HydrophobicContact CD1-CD1 3.69Å; I556-I561 HydrophobicContact CD1-CG1 3.72Å; I556-I576 HydrophobicContact CB-CD1 4.27Å; I556-I576 HydrophobicContact CD1-CD1 3.83Å; I556-I576 HydrophobicContact CD1-CG1 4.12Å; I556-I576 HydrophobicContact CD1-CG2 4.13Å; I556-I576 HydrophobicContact CG2-CD1 3.8Å; I556-I576 HydrophobicContact CG2-CG1 4.01Å
557	S	81.1	Confident	85.2	Confident	72 Å²	72	56 Å²	56	50%	0.503	31%	0.313	S	S	.	.			trans	-83.4	137.9	164.8	72.6	0	0	0	0	110.5	A559 A560	S557-A559 PolarHBondContact O-N 2.84Å; S557-A559 VanDerWaalsContact O-N 3.07Å; S557-A560 PolarHBondContact O-N 3.01Å; S557-A560 VanDerWaalsContact O-N 3.1Å
558	P	79.3	Confident	85.6	Confident	22 Å²	22	48.6 Å²	48.6	14%	0.143	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-55.6	-27.2	179.8	-28.6	35.3	0	0	0	115.1	E286 A560 I561	E286-P558 HydrophobicContact CB-CB 3.79Å; E286-P558 HydrophobicContact CB-CG 3.93Å; E286-P558 HydrophobicContact CG-CB 4.43Å; P558-A560 VanDerWaalsContact C-N 3.27Å; P558-A560 PolarHBondContact O-N 2.78Å; P558-I561 WeakPolarHBondContact O-CB 3.22Å; P558-I561 PolarHBondContact O-N 3.27Å
559	A	77.3	Confident	86.3	Confident	86 Å²	86	44.7 Å²	44.7	71%	0.711	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-63.8	-29	179	0	0	0	0	0	113.6	S557 I561	S557-A559 PolarHBondContact O-N 2.84Å; S557-A559 VanDerWaalsContact O-N 3.07Å; A559-I561 VanDerWaalsContact C-N 3.31Å
560	A	81.6	Confident	86.8	Confident	32 Å²	32	41.2 Å²	41.2	26%	0.264	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-78.1	-16.1	178.8	0	0	0	0	0	113.2	S557 P558 A562 A564	S557-A560 PolarHBondContact O-N 3.01Å; S557-A560 VanDerWaalsContact O-N 3.1Å; P558-A560 VanDerWaalsContact C-N 3.27Å; P558-A560 PolarHBondContact O-N 2.78Å; A560-A562 PolarHBondContact O-N 2.82Å; A560-A564 WeakPolarHBondContact O-CB 3.29Å; A560-A564 PolarHBondContact O-N 3.46Å
561	I	85.5	Confident	87.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-32	-173.3	-62.4	177.7	0	0	0	112	Y290 Y363 I556 P558 A559 D563 W573 I576	Y290-I561 HydrophobicContact CD1-CB 4.37Å; Y290-I561 HydrophobicContact CD1-CG2 3.83Å; Y290-I561 HydrophobicContact CD2-CG2 4.43Å; Y290-I561 HydrophobicContact CE1-CG2 4.14Å; Y290-I561 HydrophobicContact CG-CG2 3.99Å; Y363-I561 HydrophobicContact CD1-CD1 4.36Å; Y363-I561 HydrophobicContact CE1-CD1 3.66Å; I556-I561 HydrophobicContact CD1-CD1 3.69Å; I556-I561 HydrophobicContact CD1-CG1 3.72Å; P558-I561 WeakPolarHBondContact O-CB 3.22Å; P558-I561 PolarHBondContact O-N 3.27Å; A559-I561 VanDerWaalsContact C-N 3.31Å; I561-D563 VanDerWaalsContact C-N 3.31Å; I561-D563 PolarHBondContact O-N 2.78Å; I561-W573 HydrophobicContact CD1-CH2 4.06Å; I561-W573 HydrophobicContact CD1-CZ2 4.33Å; I561-W573 HydrophobicContact CG2-CH2 4.19Å; I561-W573 HydrophobicContact CG2-CZ2 4.18Å; I561-I576 HydrophobicContact CG1-CD1 4.41Å
562	A	83.5	Confident	87.3	Confident	48 Å²	48	38.8 Å²	38.8	40%	0.397	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-38	-176.4	0	0	0	0	0	112.5	A560	A560-A562 PolarHBondContact O-N 2.82Å
563	D	85.4	Confident	87.6	Confident	128 Å²	128	37 Å²	37	68%	0.684	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-26	-178.5	-160.1	27.7	0	0	0	113.1	I561 R610	I561-D563 VanDerWaalsContact C-N 3.31Å; I561-D563 PolarHBondContact O-N 2.78Å; D563-R610 PolarHBondContact O-NH1 2.87Å; D563-R610 IonicContact OD1-NH1 3.62Å; D563-R610 PolarHBondContact OD1-NH1 3.47Å
564	A	89.1	Confident	88	Confident	2 Å²	2	37.8 Å²	37.8	2%	0.017	23%	0.226	C	C	.	.	S	Bend	trans	-79.8	159.9	179.6	0	0	0	0	0	113.8	A560 I576	A560-A564 WeakPolarHBondContact O-CB 3.29Å; A560-A564 PolarHBondContact O-N 3.46Å; A564-I576 HydrophobicContact CB-CB 3.96Å; A564-I576 HydrophobicContact CB-CD1 3.83Å; A564-I576 HydrophobicContact CB-CG1 4.25Å
565	T	92.4	Very high	88.4	Confident	11 Å²	11	32.3 Å²	32.3	7%	0.067	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	133.7	175.3	-56.2	0	0	0	0	110.1	I576 H577 P580 R610 I612	T565-I576 CarbonylContact O-C 3.52Å; T565-I576 VanDerWaalsContact O-CA 3.28Å; T565-I576 WeakPolarHBondContact O-CA 3.44Å; T565-H577 WeakPolarHBondContact CB-O 3.45Å; T565-H577 PolarHBondContact N-O 2.78Å; T565-H577 PolarHBondContact O-N 2.81Å; T565-P580 HydrophobicContact CG2-CB 4.08Å; T565-P580 WeakPolarHBondContact OG1-CG 3.43Å; T565-R610 WeakPolarHBondContact CG2-O 3.36Å; T565-I612 HydrophobicContact CG2-CD1 4.06Å; T565-I612 HydrophobicContact CG2-CG1 3.89Å
566	K	93.9	Very high	88.8	Confident	17 Å²	17	25 Å²	25	7%	0.074	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.6	-179.7	-65.4	167	-72.6	-67.5	0	110.2	F568 W573 I576 R610 E611 I612	K566-F568 HydrophobicContact CB-CE2 3.87Å; K566-F568 HydrophobicContact CB-CZ 4.5Å; K566-W573 HydrophobicContact CD-CZ2 4.18Å; K566-W573 HydrophobicContact CG-CZ2 3.9Å; K566-I576 HydrophobicContact CG-CG2 4.48Å; K566-R610 PolarHBondContact N-O 3.17Å; K566-E611 CarbonylContact O-C 3.16Å; K566-E611 WeakPolarHBondContact O-CA 3.48Å; K566-I612 PolarHBondContact O-N 3.35Å
567	I	94.7	Very high	89.2	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.5	179.2	-58.1	172.7	0	0	0	110.2	L545 V574 G575 H577 L583 I612	L545-I567 HydrophobicContact CD1-CG2 4.3Å; I567-V574 PolarHBondContact O-N 3.44Å; I567-G575 PolarHBondContact N-O 3.19Å; I567-H577 HydrophobicContact CD1-CB 3.56Å; I567-H577 HydrophobicContact CG1-CB 4.38Å; I567-L583 HydrophobicContact CD1-CD2 3.74Å; I567-I612 CarbonylContact C-O 3.51Å; I567-I612 WeakPolarHBondContact CA-O 3.42Å; I567-I612 HydrophobicContact CG1-CB 4.35Å
568	F	95.5	Very high	89.6	Confident	9 Å²	9	28.4 Å²	28.4	4%	0.039	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.9	175.3	-63.4	-92.6	0	0	0	111.1	F364 Y367 K566 C572 W573 E611 I612 R613 I614	F364-F568 HydrophobicContact CE2-CE1 4.34Å; Y367-F568 HydrophobicContact CD1-CE1 4.29Å; Y367-F568 HydrophobicContact CD1-CZ 4.2Å; Y367-F568 HydrophobicContact CD2-CZ 4.28Å; Y367-F568 HydrophobicContact CE1-CE1 4.02Å; Y367-F568 AromaticContact CE1-CZ 3.79Å; Y367-F568 HydrophobicContact CE1-CZ 3.79Å; Y367-F568 AromaticContact CE2-CZ 3.88Å; Y367-F568 HydrophobicContact CE2-CZ 3.88Å; Y367-F568 HydrophobicContact CG-CZ 4.41Å; Y367-F568 AromaticContact CZ-CZ 3.6Å; K566-F568 HydrophobicContact CB-CE2 3.87Å; K566-F568 HydrophobicContact CB-CZ 4.5Å; F568-C572 CarbonylContact C-O 3.59Å; F568-C572 WeakPolarHBondContact CA-O 3.32Å; F568-W573 HydrophobicContact CD1-CB 3.85Å; F568-W573 HydrophobicContact CD1-CG 4.49Å; F568-W573 HydrophobicContact CE1-CB 3.57Å; F568-W573 HydrophobicContact CE1-CG 4.03Å; F568-W573 HydrophobicContact CZ-CB 4.29Å; F568-W573 HydrophobicContact CZ-CG 4.27Å; F568-E611 HydrophobicContact CE2-CB 4.42Å; F568-E611 HydrophobicContact CE2-CG 4.09Å; F568-I612 PolarHBondContact N-O 3.4Å; F568-R613 HydrophobicContact CB-CG 4.26Å; F568-R613 HydrophobicContact CD2-CG 4.21Å; F568-I614 PolarHBondContact O-N 3.05Å
569	V	94.4	Very high	90.2	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	121.6	171.9	-177.7	0	0	0	0	108.3	P538 L542 L545 G571 C572 V574 I614	P538-V569 HydrophobicContact CB-CG1 3.97Å; L542-V569 HydrophobicContact CD2-CB 4.11Å; L542-V569 HydrophobicContact CD2-CG1 4.24Å; L542-V569 HydrophobicContact CD2-CG2 3.91Å; L545-V569 HydrophobicContact CD1-CG2 3.88Å; V569-G571 PolarHBondContact O-N 2.87Å; V569-C572 PolarHBondContact N-O 3.12Å; V569-C572 PolarHBondContact O-N 2.95Å; V569-C572 PolarHBondContact O-SG 3.47Å; V569-V574 HydrophobicContact CB-CG2 3.93Å; V569-V574 HydrophobicContact CG2-CG2 3.84Å; V569-I614 CarbonylContact C-O 3.57Å; V569-I614 WeakPolarHBondContact CA-O 3.38Å; V569-I614 HydrophobicContact CG2-CB 4.35Å; V569-I614 HydrophobicContact CG2-CD1 4.45Å
570	N	93.3	Very high	91	Very high	15 Å²	15	27.3 Å²	27.3	8%	0.08	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	30.6	-174	-68.6	-11	0	0	0	114.2	N203 E226 C572 I614 T616	N203-N570 WeakPolarHBondContact CB-O 3.43Å; N203-N570 PolarHBondContact ND2-O 2.86Å; E226-N570 PolarHBondContact OE2-ND2 2.91Å; N570-C572 VanDerWaalsContact C-N 3.32Å; N570-C572 PolarHBondContact O-N 2.86Å; N570-I614 PolarHBondContact N-O 3.43Å; N570-T616 VanDerWaalsContact CG-OG1 3.22Å; N570-T616 PolarHBondContact ND2-OG1 2.99Å; N570-T616 PolarHBondContact OD1-N 3Å; N570-T616 PolarHBondContact OD1-OG1 3.27Å
571	G	91.7	Very high	91.4	Very high	5 Å²	5	29.9 Å²	29.9	5%	0.052	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-9.1	-177.8	0	0	0	0	0	115.4	N203 F364 V569	N203-G571 WeakPolarHBondContact O-CA 3.34Å; F364-G571 WeakPolarHBondContact CE2-O 3.35Å; V569-G571 PolarHBondContact O-N 2.87Å
572	C	93.1	Very high	91.8	Very high	30 Å²	30	34.9 Å²	34.9	20%	0.203	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.6	169.4	71.3	0	0	0	0	109.7	F568 V569 N570 V574	F568-C572 CarbonylContact C-O 3.59Å; F568-C572 WeakPolarHBondContact CA-O 3.32Å; V569-C572 PolarHBondContact N-O 3.12Å; V569-C572 PolarHBondContact O-N 2.95Å; V569-C572 PolarHBondContact O-SG 3.47Å; N570-C572 VanDerWaalsContact C-N 3.32Å; N570-C572 PolarHBondContact O-N 2.86Å; C572-V574 PolarHBondContact O-N 3Å
573	W	93.8	Very high	92.2	Very high	7 Å²	7	32.7 Å²	32.7	3%	0.027	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	117.4	169.8	-173.5	6.2	0	0	0	107	Y290 Y363 F364 L553 I561 K566 F568 G575 I576	Y290-W573 HydrophobicContact CE1-CH2 4.36Å; Y363-W573 AromaticContact CD1-CH2 3.84Å; Y363-W573 HydrophobicContact CD1-CH2 3.84Å; Y363-W573 AromaticContact CD1-CZ3 3.72Å; Y363-W573 HydrophobicContact CD1-CZ3 3.72Å; Y363-W573 HydrophobicContact CG-CH2 4.49Å; Y363-W573 HydrophobicContact CG-CZ3 4.06Å; F364-W573 HydrophobicContact CD2-CB 4.49Å; L553-W573 HydrophobicContact CD1-CB 3.92Å; L553-W573 HydrophobicContact CD1-CD2 3.82Å; L553-W573 HydrophobicContact CD1-CE3 4.33Å; L553-W573 HydrophobicContact CD1-CG 3.64Å; L553-W573 WeakPolarHBondContact CD1-O 3.15Å; L553-W573 HydrophobicContact CD2-CD2 3.73Å; L553-W573 VanDerWaalsContact CD2-CE2 3.45Å; L553-W573 HydrophobicContact CD2-CE3 4.04Å; L553-W573 HydrophobicContact CD2-CG 4.35Å; L553-W573 HydrophobicContact CD2-CH2 3.86Å; L553-W573 HydrophobicContact CD2-CZ2 3.52Å; L553-W573 HydrophobicContact CD2-CZ3 4.11Å; L553-W573 HydrophobicContact CG-CD2 4.26Å; L553-W573 HydrophobicContact CG-CG 4.37Å; I561-W573 HydrophobicContact CD1-CH2 4.06Å; I561-W573 HydrophobicContact CD1-CZ2 4.33Å; I561-W573 HydrophobicContact CG2-CH2 4.19Å; I561-W573 HydrophobicContact CG2-CZ2 4.18Å; K566-W573 HydrophobicContact CD-CZ2 4.18Å; K566-W573 HydrophobicContact CG-CZ2 3.9Å; F568-W573 HydrophobicContact CD1-CB 3.85Å; F568-W573 HydrophobicContact CD1-CG 4.49Å; F568-W573 HydrophobicContact CE1-CB 3.57Å; F568-W573 HydrophobicContact CE1-CG 4.03Å; F568-W573 HydrophobicContact CZ-CB 4.29Å; F568-W573 HydrophobicContact CZ-CG 4.27Å; W573-G575 PolarHBondContact NE1-O 3.11Å; W573-I576 HydrophobicContact CZ2-CG2 4.05Å
574	V	91.5	Very high	92.6	Very high	22 Å²	22	26.6 Å²	26.6	13%	0.133	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-47.1	-175.2	-171.1	0	0	0	0	110.5	L542 M550 L553 I567 V569 C572	L542-V574 HydrophobicContact CD2-CB 4.4Å; L542-V574 HydrophobicContact CD2-CG1 3.84Å; L542-V574 HydrophobicContact CD2-CG2 3.74Å; M550-V574 HydrophobicContact CE-CB 4.1Å; M550-V574 HydrophobicContact CE-CG1 3.55Å; L553-V574 PolarHBondContact N-O 3.14Å; I567-V574 PolarHBondContact O-N 3.44Å; V569-V574 HydrophobicContact CB-CG2 3.93Å; V569-V574 HydrophobicContact CG2-CG2 3.84Å; C572-V574 PolarHBondContact O-N 3Å
575	G	91.7	Very high	92.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	-165.3	-177.5	0	0	0	0	0	113.4	E551 I567 W573	E551-G575 CarbonylContact O-C 3.5Å; E551-G575 WeakPolarHBondContact O-CA 3.32Å; I567-G575 PolarHBondContact N-O 3.19Å; W573-G575 PolarHBondContact NE1-O 3.11Å
576	I	92.8	Very high	92.7	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	155.6	177.1	63.7	172.7	0	0	0	110.9	E551 I556 I561 A564 T565 K566 W573	E551-I576 HydrophobicContact CB-CG1 3.99Å; E551-I576 PolarHBondContact N-O 3.27Å; E551-I576 PolarHBondContact O-N 3.41Å; I556-I576 HydrophobicContact CB-CD1 4.27Å; I556-I576 HydrophobicContact CD1-CD1 3.83Å; I556-I576 HydrophobicContact CD1-CG1 4.12Å; I556-I576 HydrophobicContact CD1-CG2 4.13Å; I556-I576 HydrophobicContact CG2-CD1 3.8Å; I556-I576 HydrophobicContact CG2-CG1 4.01Å; I561-I576 HydrophobicContact CG1-CD1 4.41Å; A564-I576 HydrophobicContact CB-CB 3.96Å; A564-I576 HydrophobicContact CB-CD1 3.83Å; A564-I576 HydrophobicContact CB-CG1 4.25Å; T565-I576 CarbonylContact O-C 3.52Å; T565-I576 VanDerWaalsContact O-CA 3.28Å; T565-I576 WeakPolarHBondContact O-CA 3.44Å; K566-I576 HydrophobicContact CG-CG2 4.48Å; W573-I576 HydrophobicContact CZ2-CG2 4.05Å
577	H	92.5	Very high	92.6	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.046	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	141.8	177.1	-166.6	-89.9	0	0	0	111.2	W548 S549 T565 I567 D579 L583	W548-H577 AromaticContact CD1-NE2 3.79Å; S549-H577 PolarHBondContact O-CD2 3.16Å; S549-H577 PolarHBondContact OG-NE2 3.29Å; T565-H577 WeakPolarHBondContact CB-O 3.45Å; T565-H577 PolarHBondContact N-O 2.78Å; T565-H577 PolarHBondContact O-N 2.81Å; I567-H577 HydrophobicContact CD1-CB 3.56Å; I567-H577 HydrophobicContact CG1-CB 4.38Å; H577-D579 PolarHBondContact CE1-O 3.23Å; H577-D579 PolarHBondContact ND1-N 2.98Å; H577-D579 VanDerWaalsContact ND1-N 3.12Å; H577-D579 PolarHBondContact ND1-O 2.8Å; H577-L583 HydrophobicContact CB-CD2 4.45Å
578	K	89.4	Confident	92.5	Very high	150 Å²	150	34.3 Å²	34.3	65%	0.652	17%	0.169	S	C	*	.	S	Bend	trans	-85.6	-35.5	-176.3	-69.2	-179.8	-176.2	162.4	0	113.4	E551 P580	E551-K578 IonicContact OE1-NZ 3.87Å; K578-P580 WeakPolarHBondContact O-CD 3.18Å
579	D	92.1	Very high	92.3	Very high	71 Å²	71	40 Å²	40	38%	0.38	19%	0.194	S	C	.	.			trans	-110.6	82.8	178.5	-172.4	-0.1	0	0	0	112.7	H577 E581 Q582	H577-D579 PolarHBondContact CE1-O 3.23Å; H577-D579 PolarHBondContact ND1-N 2.98Å; H577-D579 VanDerWaalsContact ND1-N 3.12Å; H577-D579 PolarHBondContact ND1-O 2.8Å; D579-E581 VanDerWaalsContact C-N 3.29Å; D579-E581 PolarHBondContact O-N 3.22Å; D579-E581 PolarHBondContact OD1-N 3.39Å; D579-Q582 PolarHBondContact OD1-N 3.09Å; D579-Q582 WeakPolarHBondContact OD2-CB 3.4Å; D579-Q582 PolarHBondContact OD2-OE1 3.12Å
580	P	92.4	Very high	92.2	Very high	14 Å²	14	41 Å²	41	9%	0.091	20%	0.199	C	C	.	.	H	α-helix	trans	-69.6	-21.4	-177.9	29.7	-38	0	0	0	114.2	T565 K578 M584 I612	T565-P580 HydrophobicContact CG2-CB 4.08Å; T565-P580 WeakPolarHBondContact OG1-CG 3.43Å; K578-P580 WeakPolarHBondContact O-CD 3.18Å; P580-M584 WeakPolarHBondContact O-CB 3.33Å; P580-M584 VanDerWaalsContact O-CG 3.25Å; P580-M584 WeakPolarHBondContact O-CG 3.47Å; P580-M584 PolarHBondContact O-N 2.75Å; P580-M584 VanDerWaalsContact O-N 3.13Å; P580-I612 HydrophobicContact CB-CD1 3.65Å
581	E	91.8	Very high	92.2	Very high	86 Å²	86	40.8 Å²	40.8	40%	0.402	20%	0.197	S	C	.	.	H	α-helix	trans	-73.2	-51.1	-175.5	-174	70.1	-119.1	0	0	110.8	D579 L583 M584 N585 R605	D579-E581 VanDerWaalsContact C-N 3.29Å; D579-E581 PolarHBondContact O-N 3.22Å; D579-E581 PolarHBondContact OD1-N 3.39Å; E581-L583 VanDerWaalsContact C-N 3.3Å; E581-L583 PolarHBondContact O-N 3.14Å; E581-M584 PolarHBondContact O-N 3.46Å; E581-N585 PolarHBondContact O-N 2.85Å; E581-N585 PolarHBondContact O-ND2 3.32Å; E581-N585 PolarHBondContact OE1-ND2 3.05Å; E581-R605 IonicContact OE1-NH1 2.75Å; E581-R605 IonicContact OE2-CZ 2.77Å; E581-R605 IonicContact OE2-NH1 3.49Å; E581-R605 PolarHBondContact OE2-NH1 2.86Å; E581-R605 IonicContact OE2-NH2 2.72Å
582	Q	92.6	Very high	92.2	Very high	106 Å²	106	43.2 Å²	43.2	50%	0.495	21%	0.205	S	C	.	.	H	α-helix	trans	-62.3	-40	178.9	-171.2	-179	2.6	0	0	111.5	D579 N585 T586	D579-Q582 PolarHBondContact OD1-N 3.09Å; D579-Q582 WeakPolarHBondContact OD2-CB 3.4Å; D579-Q582 PolarHBondContact OD2-OE1 3.12Å; Q582-N585 PolarHBondContact O-N 3.45Å; Q582-T586 PolarHBondContact O-N 3.29Å; Q582-T586 PolarHBondContact O-OG1 2.51Å
583	L	92.6	Very high	92	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-60	-50.4	176.2	177.5	61.1	0	0	0	111.3	L545 W548 I567 H577 E581 N585 T586 L587 I612	L545-L583 HydrophobicContact CD2-CD1 4Å; L545-L583 HydrophobicContact CD2-CD2 4.31Å; W548-L583 HydrophobicContact CG-CD1 4.26Å; I567-L583 HydrophobicContact CD1-CD2 3.74Å; H577-L583 HydrophobicContact CB-CD2 4.45Å; E581-L583 VanDerWaalsContact C-N 3.3Å; E581-L583 PolarHBondContact O-N 3.14Å; L583-N585 VanDerWaalsContact C-N 3.34Å; L583-N585 PolarHBondContact O-N 2.78Å; L583-T586 PolarHBondContact O-N 3.05Å; L583-L587 HydrophobicContact CD1-CD1 4.05Å; L583-L587 HydrophobicContact CD1-CG 4.1Å; L583-L587 HydrophobicContact CG-CD1 3.95Å; L583-L587 HydrophobicContact CG-CG 4.41Å; L583-L587 WeakPolarHBondContact O-CG 3.26Å; L583-L587 PolarHBondContact O-N 3.25Å; L583-I612 HydrophobicContact CD2-CD1 4.28Å
584	M	92.8	Very high	91.5	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.6	-38.8	-179.6	-76.4	-62.6	-60.8	0	0	112.8	P580 E581 T586 L587 R588 M603 R605 I612	P580-M584 WeakPolarHBondContact O-CB 3.33Å; P580-M584 VanDerWaalsContact O-CG 3.25Å; P580-M584 WeakPolarHBondContact O-CG 3.47Å; P580-M584 PolarHBondContact O-N 2.75Å; P580-M584 VanDerWaalsContact O-N 3.13Å; E581-M584 PolarHBondContact O-N 3.46Å; M584-T586 VanDerWaalsContact C-N 3.34Å; M584-L587 PolarHBondContact O-N 3.34Å; M584-L587 HydrophobicContact SD-CD1 4.41Å; M584-R588 WeakPolarHBondContact O-CB 3.32Å; M584-R588 VanDerWaalsContact O-CG 3.3Å; M584-R588 WeakPolarHBondContact O-CG 3.35Å; M584-R588 PolarHBondContact O-N 3.46Å; M584-M603 HydrophobicContact CE-CB 3.96Å; M584-M603 HydrophobicContact CE-CE 3.97Å; M584-M603 HydrophobicContact SD-CE 4.43Å; M584-R605 HydrophobicContact CE-CB 4.22Å; M584-R605 HydrophobicContact CG-CB 4.11Å; M584-R605 HydrophobicContact SD-CB 4.27Å; M584-I612 HydrophobicContact CG-CD1 4.13Å; M584-I612 HydrophobicContact SD-CD1 4.32Å; M584-I612 HydrophobicContact SD-CG1 4.39Å; M584-I612 HydrophobicContact SD-CG2 3.99Å
585	N	92.3	Very high	91	Very high	81 Å²	81	52.7 Å²	52.7	43%	0.433	25%	0.249	S	C	.	.	H	α-helix	trans	-66.3	-38.4	177.2	-69.4	-29.5	0	0	0	111.9	E581 Q582 L583 R588 K589	E581-N585 PolarHBondContact O-N 2.85Å; E581-N585 PolarHBondContact O-ND2 3.32Å; E581-N585 PolarHBondContact OE1-ND2 3.05Å; Q582-N585 PolarHBondContact O-N 3.45Å; L583-N585 VanDerWaalsContact C-N 3.34Å; L583-N585 PolarHBondContact O-N 2.78Å; N585-R588 PolarHBondContact O-N 3.25Å; N585-R588 PolarHBondContact OD1-NH1 3.03Å; N585-K589 WeakPolarHBondContact O-CB 3.38Å; N585-K589 PolarHBondContact O-N 2.56Å
586	T	92.5	Very high	90.4	Very high	35 Å²	35	56.4 Å²	56.4	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-67	-46.5	176.1	-52.6	0	0	0	0	111.2	F544 W548 Q582 L583 M584 R588 K589 L590	F544-T586 HydrophobicContact CZ-CG2 4Å; W548-T586 HydrophobicContact CH2-CG2 4.21Å; W548-T586 HydrophobicContact CZ2-CG2 4.49Å; W548-T586 HydrophobicContact CZ3-CG2 4.38Å; Q582-T586 PolarHBondContact O-N 3.29Å; Q582-T586 PolarHBondContact O-OG1 2.51Å; L583-T586 PolarHBondContact O-N 3.05Å; M584-T586 VanDerWaalsContact C-N 3.34Å; T586-R588 VanDerWaalsContact C-N 3.33Å; T586-R588 PolarHBondContact O-N 3.23Å; T586-K589 WeakPolarHBondContact O-CB 3.34Å; T586-K589 PolarHBondContact O-N 2.85Å; T586-L590 HydrophobicContact CG2-CD1 4.35Å; T586-L590 WeakPolarHBondContact O-CG 3.35Å; T586-L590 PolarHBondContact O-N 3.05Å
587	L	91.9	Very high	90.1	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-40.7	176.8	-68.7	171.4	0	0	0	111.9	F544 L545 L583 M584 K589 L590 R591 I597 M603 I614	F544-L587 HydrophobicContact CD1-CD2 3.78Å; F544-L587 HydrophobicContact CE1-CD2 3.49Å; F544-L587 VanDerWaalsContact CE1-CD2 3.49Å; F544-L587 HydrophobicContact CE1-CG 4.33Å; L545-L587 HydrophobicContact CD2-CD2 4.49Å; L583-L587 HydrophobicContact CD1-CD1 4.05Å; L583-L587 HydrophobicContact CD1-CG 4.1Å; L583-L587 HydrophobicContact CG-CD1 3.95Å; L583-L587 HydrophobicContact CG-CG 4.41Å; L583-L587 WeakPolarHBondContact O-CG 3.26Å; L583-L587 PolarHBondContact O-N 3.25Å; M584-L587 PolarHBondContact O-N 3.34Å; M584-L587 HydrophobicContact SD-CD1 4.41Å; L587-K589 VanDerWaalsContact C-N 3.33Å; L587-K589 PolarHBondContact O-N 3.11Å; L587-L590 PolarHBondContact O-N 3.17Å; L587-R591 PolarHBondContact O-N 3.3Å; L587-I597 HydrophobicContact CB-CD1 4.31Å; L587-I597 HydrophobicContact CD2-CD1 3.67Å; L587-M603 HydrophobicContact CB-CE 3.17Å; L587-M603 HydrophobicContact CB-SD 3.81Å; L587-M603 HydrophobicContact CD1-CE 4.22Å; L587-M603 HydrophobicContact CG-CE 4.32Å; L587-I614 HydrophobicContact CD1-CD1 4.2Å
588	R	91.6	Very high	90	Very high	74 Å²	74	59.3 Å²	59.3	28%	0.279	29%	0.286	S	S	.	.	H	α-helix	trans	-64.6	-41	176.8	-75.6	178.8	-169.7	125.4	-3.5	110.8	M584 N585 T586 R591 R592 M603	M584-R588 WeakPolarHBondContact O-CB 3.32Å; M584-R588 VanDerWaalsContact O-CG 3.3Å; M584-R588 WeakPolarHBondContact O-CG 3.35Å; M584-R588 PolarHBondContact O-N 3.46Å; N585-R588 PolarHBondContact O-N 3.25Å; N585-R588 PolarHBondContact OD1-NH1 3.03Å; T586-R588 VanDerWaalsContact C-N 3.33Å; T586-R588 PolarHBondContact O-N 3.23Å; R588-R591 PolarHBondContact O-N 3.47Å; R588-R592 VanDerWaalsContact O-CG 3.29Å; R588-R592 WeakPolarHBondContact O-CG 3.44Å; R588-R592 PolarHBondContact O-N 3.31Å; R588-M603 HydrophobicContact CG-CE 3.81Å
589	K	91.7	Very high	90.1	Very high	130 Å²	130	53.1 Å²	53.1	57%	0.565	26%	0.262	S	S	*	.	H	α-helix	trans	-60.5	-45.7	176.2	-170.2	174.2	-178.8	178.6	0	111.7	N585 T586 L587 R591 R592 Q593	N585-K589 WeakPolarHBondContact O-CB 3.38Å; N585-K589 PolarHBondContact O-N 2.56Å; T586-K589 WeakPolarHBondContact O-CB 3.34Å; T586-K589 PolarHBondContact O-N 2.85Å; L587-K589 VanDerWaalsContact C-N 3.33Å; L587-K589 PolarHBondContact O-N 3.11Å; K589-R591 VanDerWaalsContact C-N 3.33Å; K589-R591 PolarHBondContact O-N 3.32Å; K589-R592 PolarHBondContact O-N 3.31Å; K589-Q593 WeakPolarHBondContact O-CG 3.31Å; K589-Q593 PolarHBondContact O-N 3.22Å; K589-Q593 VanDerWaalsContact O-N 3.07Å
590	L	91.9	Very high	90	Very high	22 Å²	22	51 Å²	51	12%	0.115	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-39.7	175.7	-71.5	165.8	0	0	0	112.4	F544 T586 L587 Q593 M594 D595 I597	F544-L590 HydrophobicContact CD1-CD1 4.39Å; F544-L590 HydrophobicContact CD2-CD1 4.15Å; F544-L590 HydrophobicContact CE1-CD1 3.86Å; F544-L590 HydrophobicContact CE2-CD1 3.57Å; F544-L590 HydrophobicContact CZ-CD1 3.41Å; F544-L590 VanDerWaalsContact CZ-CD1 3.41Å; T586-L590 HydrophobicContact CG2-CD1 4.35Å; T586-L590 WeakPolarHBondContact O-CG 3.35Å; T586-L590 PolarHBondContact O-N 3.05Å; L587-L590 PolarHBondContact O-N 3.17Å; L590-Q593 PolarHBondContact O-N 3.21Å; L590-M594 PolarHBondContact O-N 3.36Å; L590-M594 VanDerWaalsContact O-N 3.14Å; L590-D595 HydrophobicContact CD2-CB 4.1Å; L590-D595 PolarHBondContact O-N 3.38Å; L590-I597 HydrophobicContact CB-CD1 4.01Å; L590-I597 HydrophobicContact CB-CG1 4.32Å; L590-I597 HydrophobicContact CD1-CD1 4.47Å
591	R	93.1	Very high	90.1	Very high	10 Å²	10	50.4 Å²	50.4	4%	0.038	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-41.9	174.8	-173.6	173.8	80.9	167.7	0	112.1	L587 R588 K589 Q593 M594 I597 V601 E663 Y664 E669	L587-R591 PolarHBondContact O-N 3.3Å; R588-R591 PolarHBondContact O-N 3.47Å; K589-R591 VanDerWaalsContact C-N 3.33Å; K589-R591 PolarHBondContact O-N 3.32Å; R591-Q593 VanDerWaalsContact C-N 3.31Å; R591-Q593 PolarHBondContact O-N 2.89Å; R591-M594 PolarHBondContact O-N 2.9Å; R591-I597 HydrophobicContact CB-CB 4.43Å; R591-I597 HydrophobicContact CB-CG2 4.03Å; R591-I597 HydrophobicContact CG-CG2 4.21Å; R591-V601 PolarHBondContact NH1-O 3Å; R591-V601 VanDerWaalsContact NH1-O 3.14Å; R591-E663 IonicContact CZ-OE2 3.91Å; R591-E663 IonicContact NE-OE2 3.39Å; R591-E663 IonicContact NH2-OE2 3.76Å; R591-E663 PolarHBondContact NH2-OE2 2.97Å; R591-Y664 PolarHBondContact NH1-O 2.9Å; R591-E669 IonicContact CZ-OE1 2.78Å; R591-E669 IonicContact NH1-OE1 3.49Å; R591-E669 PolarHBondContact NH1-OE1 3.42Å; R591-E669 IonicContact NH1-OE2 3.73Å; R591-E669 PolarHBondContact NH1-OE2 3.43Å; R591-E669 IonicContact NH2-OE1 2.73Å; R591-E669 IonicContact NH2-OE2 3.53Å
592	R	91.4	Very high	90.3	Very high	55 Å²	55	46.3 Å²	46.3	21%	0.208	23%	0.227	C	C	.	.	H	α-helix	trans	-66.5	-30.9	178.8	-71.6	171.3	-173.1	-165.7	-6.4	113	R588 K589 I627 E629 E663	R588-R592 VanDerWaalsContact O-CG 3.29Å; R588-R592 WeakPolarHBondContact O-CG 3.44Å; R588-R592 PolarHBondContact O-N 3.31Å; K589-R592 PolarHBondContact O-N 3.31Å; R592-I627 HydrophobicContact CG-CD1 4.12Å; R592-E629 IonicContact CZ-OE1 2.93Å; R592-E629 IonicContact NH1-OE1 3Å; R592-E629 PolarHBondContact NH1-OE1 3.1Å; R592-E663 WeakPolarHBondContact CD-OE1 3.28Å; R592-E663 HydrophobicContact CG-CG 4.42Å; R592-E663 WeakPolarHBondContact CG-OE1 3.44Å; R592-E663 IonicContact CZ-OE1 2.7Å; R592-E663 IonicContact NE-OE1 2.76Å; R592-E663 PolarHBondContact NE-OE1 3.15Å; R592-E663 IonicContact NH2-OE1 3.02Å
593	Q	89	Confident	90.4	Very high	101 Å²	101	41.6 Å²	41.6	47%	0.472	21%	0.205	S	C	.	.	H	α-helix	trans	-87.2	-10.9	178.7	-66.9	178.5	-53.6	0	0	112.9	K589 L590 R591 D595	K589-Q593 WeakPolarHBondContact O-CG 3.31Å; K589-Q593 PolarHBondContact O-N 3.22Å; K589-Q593 VanDerWaalsContact O-N 3.07Å; L590-Q593 PolarHBondContact O-N 3.21Å; R591-Q593 VanDerWaalsContact C-N 3.31Å; R591-Q593 PolarHBondContact O-N 2.89Å; Q593-D595 VanDerWaalsContact C-N 3.26Å; Q593-D595 WeakPolarHBondContact CB-OD2 3.48Å; Q593-D595 PolarHBondContact O-N 2.85Å; Q593-D595 PolarHBondContact OE1-OD2 3.2Å
594	M	83.9	Confident	90.6	Very high	57 Å²	57	41.5 Å²	41.5	28%	0.281	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	39.2	-173	-59.3	-166.5	-59	0	0	113.4	L590 R591 Q654 V657 A658	L590-M594 PolarHBondContact O-N 3.36Å; L590-M594 VanDerWaalsContact O-N 3.14Å; R591-M594 PolarHBondContact O-N 2.9Å; M594-Q654 PolarHBondContact SD-NE2 3.33Å; M594-Q654 VanDerWaalsContact SD-NE2 3.42Å; M594-V657 HydrophobicContact CG-CG1 4.48Å; M594-V657 HydrophobicContact SD-CB 4.48Å; M594-V657 HydrophobicContact SD-CG1 3.8Å; M594-A658 HydrophobicContact CE-CB 3.36Å
595	D	80.3	Confident	90.7	Very high	100 Å²	100	43.7 Å²	43.7	54%	0.535	21%	0.213	S	C	.	.	S	Bend	trans	-74.9	-91.8	178.7	-67.1	-36.5	0	0	0	110.9	L590 Q593	L590-D595 HydrophobicContact CD2-CB 4.1Å; L590-D595 PolarHBondContact O-N 3.38Å; Q593-D595 VanDerWaalsContact C-N 3.26Å; Q593-D595 WeakPolarHBondContact CB-OD2 3.48Å; Q593-D595 PolarHBondContact O-N 2.85Å; Q593-D595 PolarHBondContact OE1-OD2 3.2Å
596	I	79.9	Confident	90.8	Very high	79 Å²	79	41.6 Å²	41.6	41%	0.405	20%	0.201	S	C	.	.	S	Bend	trans	-87.2	-33	-179.9	-58	166.8	0	0	0	110.5	P540 F544	P540-I596 HydrophobicContact CB-CG2 3.8Å; F544-I596 HydrophobicContact CD2-CD1 4.11Å
597	I	85.9	Confident	90.8	Very high	5 Å²	5	46 Å²	46	3%	0.026	22%	0.222	C	C	.	.	S	Bend	trans	-99.4	115.8	-171.2	-58.4	-179.9	0	0	0	109.2	I541 L587 L590 R591 V601 M603	I541-I597 HydrophobicContact CG1-CG1 4.47Å; L587-I597 HydrophobicContact CB-CD1 4.31Å; L587-I597 HydrophobicContact CD2-CD1 3.67Å; L590-I597 HydrophobicContact CB-CD1 4.01Å; L590-I597 HydrophobicContact CB-CG1 4.32Å; L590-I597 HydrophobicContact CD1-CD1 4.47Å; R591-I597 HydrophobicContact CB-CB 4.43Å; R591-I597 HydrophobicContact CB-CG2 4.03Å; R591-I597 HydrophobicContact CG-CG2 4.21Å; I597-V601 HydrophobicContact CG2-CB 3.61Å; I597-V601 HydrophobicContact CG2-CG1 4.12Å; I597-V601 HydrophobicContact CG2-CG2 3.78Å; I597-M603 HydrophobicContact CD1-SD 4.46Å
598	V	90.7	Very high	90.8	Very high	66 Å²	66	54 Å²	54	40%	0.4	25%	0.252	S	S	.	.			trans	-67.5	149.8	172.5	-60.6	0	0	0	0	110.7	E600 V601	V598-E600 HydrophobicContact CG2-CB 4.2Å; V598-E600 PolarHBondContact O-N 2.84Å; V598-V601 HydrophobicContact CG2-CG2 3.6Å; V598-V601 WeakPolarHBondContact O-CG2 3.28Å; V598-V601 PolarHBondContact O-N 3.11Å
599	S	90.7	Very high	90.7	Very high	20 Å²	20	52 Å²	52	14%	0.14	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-17.8	-178.3	-41.6	0	0	0	0	114	V601 V657	S599-V601 VanDerWaalsContact C-N 3.33Å; S599-V657 WeakPolarHBondContact OG-CG1 3.41Å
600	E	91.3	Very high	90.7	Very high	26 Å²	26	51.1 Å²	51.1	12%	0.121	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-21.6	175.8	-54.8	-163.5	159.5	0	0	113.5	Y531 S533 V534 G535 V598 S602 R620	Y531-E600 HydrophobicContact CE1-CG 4.02Å; Y531-E600 WeakPolarHBondContact CE1-OE1 3.47Å; Y531-E600 VanDerWaalsContact CZ-OE1 3.24Å; Y531-E600 PolarHBondContact OH-OE1 3.16Å; S533-E600 WeakPolarHBondContact CA-OE2 3.42Å; S533-E600 WeakPolarHBondContact CB-OE2 3.44Å; V534-E600 WeakPolarHBondContact CG2-OE1 3.24Å; V534-E600 PolarHBondContact N-OE1 2.99Å; V534-E600 PolarHBondContact N-OE2 3.22Å; G535-E600 PolarHBondContact N-OE2 3.45Å; G535-E600 VanDerWaalsContact N-OE2 3.08Å; V598-E600 HydrophobicContact CG2-CB 4.2Å; V598-E600 PolarHBondContact O-N 2.84Å; E600-S602 PolarHBondContact O-N 3.49Å; E600-R620 PolarHBondContact O-NH1 3.32Å; E600-R620 PolarHBondContact O-NH2 3.37Å
601	V	94.8	Very high	90.8	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.012	24%	0.235	C	C	.	.			trans	-68.5	128.7	-174.7	-177	0	0	0	0	109.5	I541 R591 I597 V598 S599 M603 I614 T616	I541-V601 HydrophobicContact CD1-CG1 4.21Å; I541-V601 HydrophobicContact CD1-CG2 4.06Å; R591-V601 PolarHBondContact NH1-O 3Å; R591-V601 VanDerWaalsContact NH1-O 3.14Å; I597-V601 HydrophobicContact CG2-CB 3.61Å; I597-V601 HydrophobicContact CG2-CG1 4.12Å; I597-V601 HydrophobicContact CG2-CG2 3.78Å; V598-V601 HydrophobicContact CG2-CG2 3.6Å; V598-V601 WeakPolarHBondContact O-CG2 3.28Å; V598-V601 PolarHBondContact O-N 3.11Å; S599-V601 VanDerWaalsContact C-N 3.33Å; V601-M603 HydrophobicContact CG1-CG 4.41Å; V601-I614 HydrophobicContact CG1-CG2 3.66Å; V601-T616 HydrophobicContact CB-CG2 4.5Å; V601-T616 HydrophobicContact CG1-CG2 3.91Å; V601-T616 HydrophobicContact CG2-CG2 3.92Å
602	S	95.1	Very high	90.9	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	143.5	173.2	61.4	0	0	0	0	112.3	E600 I614 Y615 R620 D666 E669	E600-S602 PolarHBondContact O-N 3.49Å; S602-I614 CarbonylContact O-C 3.58Å; S602-I614 VanDerWaalsContact O-CA 3.24Å; S602-I614 WeakPolarHBondContact O-CA 3.46Å; S602-Y615 PolarHBondContact N-O 3.48Å; S602-Y615 PolarHBondContact O-N 3.41Å; S602-R620 PolarHBondContact OG-NH1 2.78Å; S602-R620 VanDerWaalsContact OG-NH1 3.1Å; S602-D666 WeakPolarHBondContact CB-OD2 3.46Å; S602-D666 PolarHBondContact OG-OD2 2.95Å; S602-E669 WeakPolarHBondContact CA-OE1 3.47Å
603	M	94.9	Very high	91.1	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.03	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	109.7	-172.4	-66	157.5	35.1	0	0	109.3	M584 L587 R588 I597 V601 I614 E669	M584-M603 HydrophobicContact CE-CB 3.96Å; M584-M603 HydrophobicContact CE-CE 3.97Å; M584-M603 HydrophobicContact SD-CE 4.43Å; L587-M603 HydrophobicContact CB-CE 3.17Å; L587-M603 HydrophobicContact CB-SD 3.81Å; L587-M603 HydrophobicContact CD1-CE 4.22Å; L587-M603 HydrophobicContact CG-CE 4.32Å; R588-M603 HydrophobicContact CG-CE 3.81Å; I597-M603 HydrophobicContact CD1-SD 4.46Å; V601-M603 HydrophobicContact CG1-CG 4.41Å; M603-I614 HydrophobicContact CG-CG1 4.32Å; M603-I614 HydrophobicContact CG-CG2 4.44Å; M603-E669 PolarHBondContact N-OE1 3.13Å
604	I	96.1	Very high	91.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.7	-174.1	-55.3	92.2	0	0	0	108.5	I612 R613 Y615 L668 E669 T672	I604-I612 CarbonylContact O-C 3.59Å; I604-I612 VanDerWaalsContact O-CA 3.29Å; I604-I612 WeakPolarHBondContact O-CA 3.32Å; I604-R613 HydrophobicContact CB-CB 4.45Å; I604-R613 WeakPolarHBondContact CD1-O 3.08Å; I604-R613 PolarHBondContact N-O 2.94Å; I604-R613 PolarHBondContact O-N 3.21Å; I604-Y615 HydrophobicContact CD1-CD2 3.79Å; I604-Y615 HydrophobicContact CD1-CE2 3.99Å; I604-L668 HydrophobicContact CD1-CB 3.9Å; I604-L668 HydrophobicContact CG1-CB 3.84Å; I604-E669 HydrophobicContact CD1-CG 4.2Å; I604-E669 HydrophobicContact CG1-CG 3.86Å; I604-T672 HydrophobicContact CG2-CG2 3.64Å
605	R	95.4	Very high	92	Very high	47 Å²	47	42.1 Å²	42.1	18%	0.177	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	107.3	169.3	179.8	177.2	169	-152.3	2.5	109.6	E581 M584 I607 I612	E581-R605 IonicContact OE1-NH1 2.75Å; E581-R605 IonicContact OE2-CZ 2.77Å; E581-R605 IonicContact OE2-NH1 3.49Å; E581-R605 PolarHBondContact OE2-NH1 2.86Å; E581-R605 IonicContact OE2-NH2 2.72Å; M584-R605 HydrophobicContact CE-CB 4.22Å; M584-R605 HydrophobicContact CG-CB 4.11Å; M584-R605 HydrophobicContact SD-CB 4.27Å; R605-I607 HydrophobicContact CG-CG1 4.32Å; R605-I607 PolarHBondContact O-N 3.34Å; R605-I612 HydrophobicContact CB-CG1 4.27Å; R605-I612 HydrophobicContact CG-CG1 4.12Å
606	D	94.4	Very high	92.6	Very high	36 Å²	36	37.4 Å²	37.4	19%	0.193	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	104.7	168.5	-169.5	-27.6	0	0	0	109	R608 E609 R610 E611	D606-R608 PolarHBondContact OD1-N 3.38Å; D606-E609 HydrophobicContact CB-CB 4.3Å; D606-E609 PolarHBondContact OD1-N 2.94Å; D606-E609 WeakPolarHBondContact OD2-CG 3.48Å; D606-R610 WeakPolarHBondContact O-CA 3.32Å; D606-R610 PolarHBondContact O-N 3.43Å; D606-R610 VanDerWaalsContact O-N 3.1Å; D606-E611 HydrophobicContact CB-CB 4.4Å; D606-E611 PolarHBondContact N-O 3.39Å; D606-E611 PolarHBondContact O-N 3.18Å; D606-E611 VanDerWaalsContact O-N 3.14Å
607	I	93	Very high	93.2	Very high	127 Å²	127	34.7 Å²	34.7	65%	0.651	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-35.9	-177.3	-58.3	173	0	0	0	110.6	R605	R605-I607 HydrophobicContact CG-CG1 4.32Å; R605-I607 PolarHBondContact O-N 3.34Å
608	R	91.6	Very high	93.5	Very high	170 Å²	170	36.1 Å²	36.1	64%	0.642	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-42.3	-176.1	-176.9	179.3	176.5	-166.3	-4.6	111	R379 E381 D606	R379-R608 PolarHBondContact O-NH2 2.86Å; R379-R608 VanDerWaalsContact O-NH2 3.15Å; E381-R608 IonicContact OE2-NH1 3.31Å; D606-R608 PolarHBondContact OD1-N 3.38Å
609	E	88.8	Confident	93.6	Very high	31 Å²	31	33.1 Å²	33.1	15%	0.145	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-6.1	-177.6	-63.5	-62.4	145.1	0	0	113.8	R380 D606 E611	R380-E609 VanDerWaalsContact CD-CD 3.42Å; R380-E609 VanDerWaalsContact CD-OE1 3.28Å; R380-E609 WeakPolarHBondContact CD-OE1 3.36Å; R380-E609 WeakPolarHBondContact CD-OE2 3.43Å; R380-E609 WeakPolarHBondContact CG-OE1 3.42Å; R380-E609 IonicContact CZ-OE1 3.81Å; R380-E609 IonicContact CZ-OE2 3.3Å; R380-E609 VanDerWaalsContact NE-CD 3.33Å; R380-E609 IonicContact NE-OE1 3.96Å; R380-E609 PolarHBondContact NE-OE1 3.47Å; R380-E609 IonicContact NE-OE2 3.85Å; R380-E609 PolarHBondContact NE-OE2 2.61Å; R380-E609 IonicContact NH1-OE2 3.43Å; R380-E609 PolarHBondContact NH1-OE2 3.47Å; D606-E609 HydrophobicContact CB-CB 4.3Å; D606-E609 PolarHBondContact OD1-N 2.94Å; D606-E609 WeakPolarHBondContact OD2-CG 3.48Å; E609-E611 VanDerWaalsContact C-N 3.35Å; E609-E611 HydrophobicContact CB-CG 4.11Å
610	R	93	Very high	93.8	Very high	113 Å²	113	32.4 Å²	32.4	43%	0.426	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	53.1	-173.3	-56.2	-174.8	179.9	-149.6	5.1	111.2	D563 T565 K566 D606	D563-R610 PolarHBondContact O-NH1 2.87Å; D563-R610 IonicContact OD1-NH1 3.62Å; D563-R610 PolarHBondContact OD1-NH1 3.47Å; T565-R610 WeakPolarHBondContact CG2-O 3.36Å; K566-R610 PolarHBondContact N-O 3.17Å; D606-R610 WeakPolarHBondContact O-CA 3.32Å; D606-R610 PolarHBondContact O-N 3.43Å; D606-R610 VanDerWaalsContact O-N 3.1Å
611	E	93.5	Very high	94.1	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.019	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.6	178	-63.6	179.1	178.3	0	0	110.6	Y367 R380 K566 F568 D606 E609	Y367-E611 WeakPolarHBondContact CE2-OE1 3.49Å; Y367-E611 VanDerWaalsContact CZ-OE1 3.3Å; Y367-E611 PolarHBondContact OH-OE1 2.74Å; Y367-E611 PolarHBondContact OH-OE2 3.1Å; R380-E611 IonicContact NH1-OE1 3.68Å; K566-E611 CarbonylContact O-C 3.16Å; K566-E611 WeakPolarHBondContact O-CA 3.48Å; F568-E611 HydrophobicContact CE2-CB 4.42Å; F568-E611 HydrophobicContact CE2-CG 4.09Å; D606-E611 HydrophobicContact CB-CB 4.4Å; D606-E611 PolarHBondContact N-O 3.39Å; D606-E611 PolarHBondContact O-N 3.18Å; D606-E611 VanDerWaalsContact O-N 3.14Å; E609-E611 VanDerWaalsContact C-N 3.35Å; E609-E611 HydrophobicContact CB-CG 4.11Å
612	I	95.6	Very high	94.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.8	163.8	-68.1	170	0	0	0	107.4	T565 K566 I567 F568 P580 L583 M584 I604 R605 I614	T565-I612 HydrophobicContact CG2-CD1 4.06Å; T565-I612 HydrophobicContact CG2-CG1 3.89Å; K566-I612 PolarHBondContact O-N 3.35Å; I567-I612 CarbonylContact C-O 3.51Å; I567-I612 WeakPolarHBondContact CA-O 3.42Å; I567-I612 HydrophobicContact CG1-CB 4.35Å; F568-I612 PolarHBondContact N-O 3.4Å; P580-I612 HydrophobicContact CB-CD1 3.65Å; L583-I612 HydrophobicContact CD2-CD1 4.28Å; M584-I612 HydrophobicContact CG-CD1 4.13Å; M584-I612 HydrophobicContact SD-CD1 4.32Å; M584-I612 HydrophobicContact SD-CG1 4.39Å; M584-I612 HydrophobicContact SD-CG2 3.99Å; I604-I612 CarbonylContact O-C 3.59Å; I604-I612 VanDerWaalsContact O-CA 3.29Å; I604-I612 WeakPolarHBondContact O-CA 3.32Å; R605-I612 HydrophobicContact CB-CG1 4.27Å; R605-I612 HydrophobicContact CG-CG1 4.12Å; I612-I614 HydrophobicContact CG2-CG1 4.21Å
613	R	95.6	Very high	94.1	Very high	41 Å²	41	32 Å²	32	16%	0.155	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.6	-179.2	-63.2	173.3	-72	175.2	-2.5	108.8	F568 I604 Y615	F568-R613 HydrophobicContact CB-CG 4.26Å; F568-R613 HydrophobicContact CD2-CG 4.21Å; I604-R613 HydrophobicContact CB-CB 4.45Å; I604-R613 WeakPolarHBondContact CD1-O 3.08Å; I604-R613 PolarHBondContact N-O 2.94Å; I604-R613 PolarHBondContact O-N 3.21Å; R613-Y615 HydrophobicContact CB-CE2 3.89Å
614	I	96	Very high	94.1	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.9	178.4	-57.7	173.5	0	0	0	108.2	I541 L545 F568 V569 N570 L587 V601 S602 M603 I612	I541-I614 HydrophobicContact CG2-CD1 4.47Å; I541-I614 HydrophobicContact CG2-CG2 4.44Å; L545-I614 HydrophobicContact CD1-CD1 4.03Å; F568-I614 PolarHBondContact O-N 3.05Å; V569-I614 CarbonylContact C-O 3.57Å; V569-I614 WeakPolarHBondContact CA-O 3.38Å; V569-I614 HydrophobicContact CG2-CB 4.35Å; V569-I614 HydrophobicContact CG2-CD1 4.45Å; N570-I614 PolarHBondContact N-O 3.43Å; L587-I614 HydrophobicContact CD1-CD1 4.2Å; V601-I614 HydrophobicContact CG1-CG2 3.66Å; S602-I614 CarbonylContact O-C 3.58Å; S602-I614 VanDerWaalsContact O-CA 3.24Å; S602-I614 WeakPolarHBondContact O-CA 3.46Å; M603-I614 HydrophobicContact CG-CG1 4.32Å; M603-I614 HydrophobicContact CG-CG2 4.44Å; I612-I614 HydrophobicContact CG2-CG1 4.21Å
615	Y	95.4	Very high	94.2	Very high	9 Å²	9	31.8 Å²	31.8	4%	0.035	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.9	176.4	-60.3	-84.3	0	0	0	111.4	T204 S602 I604 R613 R620 L668	T204-Y615 HydrophobicContact CG2-CE1 3.98Å; T204-Y615 VanDerWaalsContact CG2-OH 3.29Å; T204-Y615 WeakPolarHBondContact CG2-OH 3.49Å; S602-Y615 PolarHBondContact N-O 3.48Å; S602-Y615 PolarHBondContact O-N 3.41Å; I604-Y615 HydrophobicContact CD1-CD2 3.79Å; I604-Y615 HydrophobicContact CD1-CE2 3.99Å; R613-Y615 HydrophobicContact CB-CE2 3.89Å; Y615-R620 PolarHBondContact O-NH2 3.36Å; Y615-L668 HydrophobicContact CD2-CD1 4.11Å; Y615-L668 HydrophobicContact CE2-CD1 3.55Å
616	T	93.7	Very high	94.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.			trans	-119.4	3.1	176.5	58.4	0	0	0	0	111.5	G535 S536 I541 N570 V601	G535-T616 VanDerWaalsContact CA-O 3.3Å; G535-T616 WeakPolarHBondContact CA-O 3.37Å; S536-T616 PolarHBondContact N-O 2.74Å; I541-T616 HydrophobicContact CD1-CG2 3.37Å; N570-T616 VanDerWaalsContact CG-OG1 3.22Å; N570-T616 PolarHBondContact ND2-OG1 2.99Å; N570-T616 PolarHBondContact OD1-N 3Å; N570-T616 PolarHBondContact OD1-OG1 3.27Å; V601-T616 HydrophobicContact CB-CG2 4.5Å; V601-T616 HydrophobicContact CG1-CG2 3.91Å; V601-T616 HydrophobicContact CG2-CG2 3.92Å
617	D	91.8	Very high	94.3	Very high	22 Å²	22	28 Å²	28	12%	0.118	13%	0.127	C	C	.	.			trans	-70.3	154.4	-176	68	-23.6	0	0	0	113.2	R392 S533 R620	R392-D617 IonicContact CZ-OD1 3.88Å; R392-D617 IonicContact CZ-OD2 2.68Å; R392-D617 IonicContact NE-OD1 2.77Å; R392-D617 PolarHBondContact NE-OD1 2.9Å; R392-D617 IonicContact NE-OD2 2.76Å; R392-D617 PolarHBondContact NE-OD2 3.45Å; R392-D617 IonicContact NH2-OD1 3.57Å; R392-D617 PolarHBondContact NH2-OD1 2.92Å; R392-D617 IonicContact NH2-OD2 2.74Å; R392-D617 PolarHBondContact NH2-OD2 3.02Å; S533-D617 PolarHBondContact OG-O 2.64Å; D617-R620 PolarHBondContact O-NE 2.83Å; D617-R620 PolarHBondContact O-NH2 3.31Å; D617-R620 WeakPolarHBondContact OD1-CD 3.48Å; D617-R620 WeakPolarHBondContact OD1-CG 3.4Å; D617-R620 IonicContact OD1-NE 3.75Å; D617-R620 PolarHBondContact OD1-NE 3.39Å
618	A	92.1	Very high	94.3	Very high	35 Å²	35	22.3 Å²	22.3	29%	0.289	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	151.8	176.3	0	0	0	0	0	112.2	S533 V534	S533-A618 WeakPolarHBondContact OG-CA 3.09Å; V534-A618 WeakPolarHBondContact O-CB 3.35Å
619	G	93.6	Very high	94.2	Very high	3 Å²	3	18.6 Å²	18.6	3%	0.031	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	12.3	174.1	0	0	0	0	0	114.9	R392 L393 S533	R392-G619 CarbonylContact C-O 3.59Å; R392-G619 WeakPolarHBondContact CA-O 3.21Å; L393-G619 PolarHBondContact N-O 3.14Å; L393-G619 VanDerWaalsContact O-CA 3.22Å; L393-G619 WeakPolarHBondContact O-CA 3.38Å; S533-G619 PolarHBondContact O-N 3.24Å; S533-G619 PolarHBondContact OG-N 2.93Å; S533-G619 VanDerWaalsContact OG-N 3.09Å
620	R	95.3	Very high	94	Very high	6 Å²	6	27 Å²	27	2%	0.023	13%	0.125	C	C	.	.			trans	-75.3	138.9	166.5	-71.2	178.3	-70.2	112	9.8	108.9	R392 I532 S533 E600 S602 Y615 D617 D666	R392-R620 VanDerWaalsContact CZ-CG 3.47Å; R392-R620 VanDerWaalsContact NE-CG 3.26Å; I532-R620 CarbonylContact C-O 3.56Å; I532-R620 VanDerWaalsContact CA-O 3.25Å; I532-R620 WeakPolarHBondContact CA-O 3.45Å; S533-R620 PolarHBondContact N-O 2.63Å; S533-R620 WeakPolarHBondContact OG-CB 3.48Å; S533-R620 PolarHBondContact OG-N 2.76Å; E600-R620 PolarHBondContact O-NH1 3.32Å; E600-R620 PolarHBondContact O-NH2 3.37Å; S602-R620 PolarHBondContact OG-NH1 2.78Å; S602-R620 VanDerWaalsContact OG-NH1 3.1Å; Y615-R620 PolarHBondContact O-NH2 3.36Å; D617-R620 PolarHBondContact O-NE 2.83Å; D617-R620 PolarHBondContact O-NH2 3.31Å; D617-R620 WeakPolarHBondContact OD1-CD 3.48Å; D617-R620 WeakPolarHBondContact OD1-CG 3.4Å; D617-R620 IonicContact OD1-NE 3.75Å; D617-R620 PolarHBondContact OD1-NE 3.39Å; R620-D666 IonicContact NH1-OD2 3.13Å
621	I	95.8	Very high	93.7	Very high	9 Å²	9	23.7 Å²	23.7	5%	0.046	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.2	174	-163.7	159.5	0	0	0	108.6	Y388 L393 M508 V509 L526 A530 Y531 I532 D666	Y388-I621 HydrophobicContact CD1-CG2 4.01Å; Y388-I621 HydrophobicContact CE1-CG2 4.4Å; L393-I621 HydrophobicContact CD1-CB 4.41Å; L393-I621 HydrophobicContact CD1-CD1 4.1Å; M508-I621 HydrophobicContact CB-CD1 3.76Å; M508-I621 HydrophobicContact CB-CG1 4Å; M508-I621 HydrophobicContact CB-CG2 4.12Å; M508-I621 HydrophobicContact CG-CG1 4.28Å; M508-I621 HydrophobicContact CG-CG2 3.96Å; M508-I621 HydrophobicContact SD-CB 4.42Å; M508-I621 HydrophobicContact SD-CG1 3.85Å; M508-I621 HydrophobicContact SD-CG2 4.09Å; V509-I621 HydrophobicContact CG2-CD1 4.37Å; L526-I621 HydrophobicContact CD2-CD1 3.37Å; L526-I621 HydrophobicContact CD2-CG1 4.49Å; A530-I621 HydrophobicContact CB-CD1 4.26Å; A530-I621 HydrophobicContact CB-CG1 4.35Å; Y531-I621 WeakPolarHBondContact O-CA 3.45Å; I532-I621 HydrophobicContact CG1-CG1 4.44Å; I621-D666 WeakPolarHBondContact O-CA 3.47Å
622	C	95.1	Very high	93.4	Very high	6 Å²	6	27.9 Å²	27.9	4%	0.041	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	161.4	-178.8	54.6	0	0	0	0	110.8	M508 Y531 I665 D666	M508-C622 VanDerWaalsContact SD-C 3.54Å; Y531-C622 WeakPolarHBondContact CD1-SG 3.34Å; Y531-C622 PolarHBondContact N-O 2.84Å; Y531-C622 PolarHBondContact O-N 2.8Å; Y531-C622 PolarHBondContact O-SG 2.85Å; C622-I665 CarbonylContact C-O 3.57Å; C622-I665 WeakPolarHBondContact CA-O 3.43Å; C622-I665 VanDerWaalsContact CB-O 3.31Å; C622-I665 WeakPolarHBondContact CB-O 3.49Å; C622-D666 HydrophobicContact CB-CB 4.25Å
623	R	95.1	Very high	93.2	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.015	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	139.3	178.1	66.2	-164.2	-175.3	116.5	-1.9	109.9	M508 L625 I665 E670 E697	M508-R623 HydrophobicContact CE-CB 4.06Å; M508-R623 HydrophobicContact CE-CG 3.69Å; M508-R623 HydrophobicContact SD-CB 3.89Å; M508-R623 HydrophobicContact SD-CG 4.12Å; R623-L625 HydrophobicContact CG-CD2 4.46Å; R623-L625 HydrophobicContact CG-CG 4.32Å; R623-I665 PolarHBondContact N-O 3.4Å; R623-I665 PolarHBondContact O-N 3.28Å; R623-E670 IonicContact CZ-OE1 3.64Å; R623-E670 IonicContact NE-OE1 2.72Å; R623-E670 IonicContact NH2-OE1 2.91Å; R623-E670 PolarHBondContact NH2-OE1 3.47Å; R623-E697 IonicContact CZ-OE2 3.7Å; R623-E697 IonicContact NH1-OE1 3.73Å; R623-E697 PolarHBondContact NH1-OE1 3.2Å; R623-E697 IonicContact NH1-OE2 3.71Å; R623-E697 PolarHBondContact NH1-OE2 2.9Å; R623-E697 IonicContact NH2-OE2 2.93Å
624	P	96.3	Very high	93	Very high	3 Å²	3	29 Å²	29	2%	0.019	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	134	176.2	31	-33.4	0	0	0	110.7	Y33 M529 W653 E663 Y664 I698	Y33-P624 HydrophobicContact CE2-CG 4.23Å; M529-P624 HydrophobicContact CB-CG 4.21Å; M529-P624 HydrophobicContact CE-CG 3.5Å; M529-P624 WeakPolarHBondContact O-CD 3.33Å; M529-P624 HydrophobicContact SD-CG 4.4Å; P624-W653 HydrophobicContact CB-CH2 3.76Å; P624-W653 HydrophobicContact CB-CZ2 3.52Å; P624-W653 HydrophobicContact CG-CH2 4.19Å; P624-W653 HydrophobicContact CG-CZ2 4.04Å; P624-E663 CarbonylContact C-O 3.59Å; P624-E663 WeakPolarHBondContact CA-O 3.41Å; P624-Y664 HydrophobicContact CB-CD1 4.29Å; P624-Y664 HydrophobicContact CB-CE1 4.13Å; P624-Y664 HydrophobicContact CG-CE1 4.35Å; P624-I698 HydrophobicContact CB-CD1 4.47Å; P624-I698 HydrophobicContact CG-CD1 4.4Å
625	L	96.4	Very high	92.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	157.7	177	-63.9	175.2	0	0	0	110.2	R623 V662 E663 I665 L675 H695	R623-L625 HydrophobicContact CG-CD2 4.46Å; R623-L625 HydrophobicContact CG-CG 4.32Å; L625-V662 CarbonylContact O-C 3.41Å; L625-V662 VanDerWaalsContact O-CA 3.25Å; L625-V662 WeakPolarHBondContact O-CA 3.36Å; L625-E663 PolarHBondContact N-O 3.03Å; L625-E663 PolarHBondContact O-N 3.21Å; L625-I665 HydrophobicContact CB-CG1 4.45Å; L625-I665 HydrophobicContact CD1-CB 3.98Å; L625-I665 HydrophobicContact CD1-CG1 3.84Å; L625-I665 HydrophobicContact CD1-CG2 4.39Å; L625-I665 HydrophobicContact CG-CG1 4.41Å; L625-L675 HydrophobicContact CD1-CD2 3.44Å; L625-L675 VanDerWaalsContact CD1-CD2 3.44Å; L625-L675 HydrophobicContact CD1-CG 4.11Å; L625-L675 HydrophobicContact CD2-CD2 3.9Å; L625-L675 HydrophobicContact CG-CD2 4.33Å; L625-H695 HydrophobicContact CB-CB 4.17Å; L625-H695 HydrophobicContact CD1-CB 4.26Å
626	L	96	Very high	92.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	142.4	176	-68.8	162.6	0	0	0	110.5	W22 L633 L635 V661 V662 H695 C696 I698	W22-L626 HydrophobicContact CH2-CD1 3.43Å; W22-L626 VanDerWaalsContact CH2-CD1 3.43Å; W22-L626 HydrophobicContact CZ2-CD1 4.33Å; W22-L626 HydrophobicContact CZ3-CD1 4.25Å; L626-L633 HydrophobicContact CB-CD2 4.14Å; L626-L635 HydrophobicContact CD1-CD2 4.21Å; L626-L635 HydrophobicContact CD2-CB 4.11Å; L626-L635 HydrophobicContact CD2-CD2 3.95Å; L626-V661 HydrophobicContact CD2-CG1 4.12Å; L626-V662 HydrophobicContact CD2-CG1 3.58Å; L626-V662 HydrophobicContact CG-CG1 4.41Å; L626-H695 CarbonylContact O-C 3.54Å; L626-H695 WeakPolarHBondContact O-CA 3Å; L626-H695 WeakPolarHBondContact O-CB 3.33Å; L626-H695 PolarHBondContact O-CD2 3.34Å; L626-C696 HydrophobicContact CB-CB 4.39Å; L626-C696 PolarHBondContact N-O 2.79Å; L626-C696 PolarHBondContact O-N 2.91Å; L626-I698 HydrophobicContact CD1-CG1 4.07Å; L626-I698 HydrophobicContact CG-CG1 3.95Å
627	I	95.6	Very high	92.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	136.9	178.9	-54.6	178.4	0	0	0	110.1	R592 E629 L634 G660 V661 E663	R592-I627 HydrophobicContact CG-CD1 4.12Å; I627-E629 HydrophobicContact CG2-CG 4.3Å; I627-L634 HydrophobicContact CB-CD1 3.98Å; I627-L634 HydrophobicContact CB-CG 4.34Å; I627-L634 HydrophobicContact CD1-CD1 4.47Å; I627-L634 HydrophobicContact CG2-CD1 3.82Å; I627-L634 HydrophobicContact CG2-CG 4.3Å; I627-L634 PolarHBondContact O-N 3.09Å; I627-G660 WeakPolarHBondContact CD1-O 3.46Å; I627-V661 PolarHBondContact N-O 3.07Å; I627-V661 VanDerWaalsContact N-O 3.11Å; I627-E663 HydrophobicContact CD1-CB 4.46Å; I627-E663 HydrophobicContact CD1-CG 3.59Å; I627-E663 WeakPolarHBondContact CD1-OE1 3.31Å; I627-E663 HydrophobicContact CG1-CB 4.37Å; I627-E663 HydrophobicContact CG1-CG 4Å
628	V	93.4	Very high	92.4	Very high	9 Å²	9	38.8 Å²	38.8	6%	0.055	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.2	173.9	177.7	0	0	0	0	108.9	K632 L633 L682 T694 C696	V628-K632 WeakPolarHBondContact CA-O 3.32Å; V628-L633 HydrophobicContact CG2-CD2 3.87Å; V628-L682 HydrophobicContact CB-CD2 4.46Å; V628-L682 HydrophobicContact CG1-CD2 3.72Å; V628-L682 HydrophobicContact CG2-CD1 3.99Å; V628-L682 HydrophobicContact CG2-CD2 3.89Å; V628-T694 PolarHBondContact N-O 3.05Å; V628-C696 HydrophobicContact CG2-CB 3.95Å
629	E	89	Confident	92.3	Very high	91 Å²	91	37.3 Å²	37.3	43%	0.425	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.4	170.8	-65.9	-166.3	168.6	0	0	109.5	R592 I627 Q631 K632 L634	R592-E629 IonicContact CZ-OE1 2.93Å; R592-E629 IonicContact NH1-OE1 3Å; R592-E629 PolarHBondContact NH1-OE1 3.1Å; I627-E629 HydrophobicContact CG2-CG 4.3Å; E629-Q631 VanDerWaalsContact C-N 3.29Å; E629-Q631 PolarHBondContact O-N 2.97Å; E629-K632 PolarHBondContact N-O 3.03Å; E629-K632 PolarHBondContact O-N 3.11Å; E629-L634 HydrophobicContact CB-CD2 4.23Å; E629-L634 HydrophobicContact CG-CD1 4.29Å; E629-L634 HydrophobicContact CG-CD2 4.08Å; E629-L634 HydrophobicContact CG-CG 4.23Å
630	K	85.8	Confident	92.2	Very high	208 Å²	208	37.7 Å²	37.7	90%	0.904	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	46.7	-179.5	-57.3	178.4	-178.9	174.2	0	113.2	K632	K630-K632 PolarHBondContact O-N 3.41Å
631	Q	85.9	Confident	92	Very high	44 Å²	44	41.4 Å²	41.4	21%	0.206	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	12.3	-177.2	-64	-64.2	-33	0	0	115.7	E629 L682 S691	E629-Q631 VanDerWaalsContact C-N 3.29Å; E629-Q631 PolarHBondContact O-N 2.97Å; Q631-L682 PolarHBondContact OE1-O 2.91Å; Q631-S691 PolarHBondContact NE2-O 3.35Å
632	K	88.3	Confident	91.7	Very high	91 Å²	91	43.9 Å²	43.9	40%	0.396	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.5	174.5	-61.6	-170.8	176.9	-161.1	0	110.6	D13 E16 V628 E629 K630	D13-K632 IonicContact OD1-NZ 3.72Å; E16-K632 WeakPolarHBondContact OE1-CD 3.41Å; E16-K632 WeakPolarHBondContact OE1-CG 3.17Å; E16-K632 IonicContact OE2-NZ 3.61Å; V628-K632 WeakPolarHBondContact CA-O 3.32Å; E629-K632 PolarHBondContact N-O 3.03Å; E629-K632 PolarHBondContact O-N 3.11Å; K630-K632 PolarHBondContact O-N 3.41Å
633	L	90.9	Very high	91.4	Very high	17 Å²	17	44.1 Å²	44.1	9%	0.089	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	141.3	171.9	-69	175.1	0	0	0	110.5	W22 L626 V628 L635 K636 P679 L682 C696	W22-L633 HydrophobicContact CH2-CD1 4.18Å; W22-L633 HydrophobicContact CZ3-CD1 3.85Å; L626-L633 HydrophobicContact CB-CD2 4.14Å; V628-L633 HydrophobicContact CG2-CD2 3.87Å; L633-L635 HydrophobicContact CB-CB 4.48Å; L633-K636 WeakPolarHBondContact O-CE 3.27Å; L633-K636 PolarHBondContact O-NZ 3.17Å; L633-P679 HydrophobicContact CD1-CB 3.93Å; L633-L682 HydrophobicContact CD2-CD1 3.86Å; L633-L682 HydrophobicContact CG-CD1 3.93Å; L633-C696 HydrophobicContact CD2-CB 3.72Å
634	L	91.7	Very high	91.1	Very high	47 Å²	47	50.3 Å²	50.3	25%	0.246	23%	0.227	C	C	.	.	S	Bend	trans	-72.8	-18.2	167	-68.2	-169.3	0	0	0	112.5	I627 E629 K636 H639 G660	I627-L634 HydrophobicContact CB-CD1 3.98Å; I627-L634 HydrophobicContact CB-CG 4.34Å; I627-L634 HydrophobicContact CD1-CD1 4.47Å; I627-L634 HydrophobicContact CG2-CD1 3.82Å; I627-L634 HydrophobicContact CG2-CG 4.3Å; I627-L634 PolarHBondContact O-N 3.09Å; E629-L634 HydrophobicContact CB-CD2 4.23Å; E629-L634 HydrophobicContact CG-CD1 4.29Å; E629-L634 HydrophobicContact CG-CD2 4.08Å; E629-L634 HydrophobicContact CG-CG 4.23Å; L634-K636 PolarHBondContact O-N 3.49Å; L634-H639 PolarHBondContact O-CE1 3.28Å; L634-G660 WeakPolarHBondContact CD1-O 3.31Å
635	L	91.8	Very high	90.7	Very high	4 Å²	4	56 Å²	56	2%	0.021	25%	0.253	C	S	.	.			trans	-72.8	120.8	172	-175	68.2	0	0	0	110	I17 W22 V29 L626 L633 H639 I640 L656 V661	I17-L635 HydrophobicContact CD1-CD2 4.25Å; I17-L635 HydrophobicContact CD1-CG 4.02Å; W22-L635 HydrophobicContact CZ3-CD2 4.08Å; V29-L635 HydrophobicContact CG2-CD1 4.42Å; V29-L635 HydrophobicContact CG2-CD2 4.17Å; L626-L635 HydrophobicContact CD1-CD2 4.21Å; L626-L635 HydrophobicContact CD2-CB 4.11Å; L626-L635 HydrophobicContact CD2-CD2 3.95Å; L633-L635 HydrophobicContact CB-CB 4.48Å; L635-H639 HydrophobicContact CD1-CB 3.97Å; L635-I640 HydrophobicContact CD1-CD1 4Å; L635-I640 HydrophobicContact CD2-CD1 4.14Å; L635-I640 HydrophobicContact CG-CD1 4.24Å; L635-L656 HydrophobicContact CD1-CD1 4.17Å; L635-V661 HydrophobicContact CB-CG1 3.72Å; L635-V661 HydrophobicContact CD1-CG1 3.8Å; L635-V661 HydrophobicContact CG-CG1 4.37Å
636	K	91.5	Very high	89.9	Confident	49 Å²	49	60 Å²	60	21%	0.213	27%	0.269	C	S	.	.			trans	-117.7	163.1	-178.3	-58.5	-58.6	-176.2	-178.2	0	111.1	L633 L634 R638 H639	L633-K636 WeakPolarHBondContact O-CE 3.27Å; L633-K636 PolarHBondContact O-NZ 3.17Å; L634-K636 PolarHBondContact O-N 3.49Å; K636-R638 VanDerWaalsContact C-N 3.29Å; K636-R638 HydrophobicContact CB-CG 4.13Å; K636-R638 PolarHBondContact O-N 3.02Å; K636-H639 PolarHBondContact N-ND1 3.48Å; K636-H639 PolarHBondContact O-N 3.46Å; K636-H639 VanDerWaalsContact O-N 3.09Å
637	K	90.3	Very high	89	Confident	60 Å²	60	68.9 Å²	68.9	26%	0.261	31%	0.31	S	S	.	.	H	α-helix	trans	-53.6	-43.4	178.4	-73.7	177	-176.5	147.8	0	112.7	D14 D15 E16 I17 H639 I640 D641	D14-K637 PolarHBondContact O-NZ 3.16Å; D15-K637 PolarHBondContact O-N 3.14Å; D15-K637 VanDerWaalsContact O-N 3.17Å; E16-K637 WeakPolarHBondContact O-CE 3.25Å; E16-K637 PolarHBondContact O-NZ 3.49Å; I17-K637 HydrophobicContact CG1-CG 4Å; K637-H639 PolarHBondContact O-N 3.31Å; K637-H639 VanDerWaalsContact O-N 3.13Å; K637-I640 WeakPolarHBondContact O-CA 3.5Å; K637-I640 WeakPolarHBondContact O-CB 3.5Å; K637-I640 PolarHBondContact O-N 3.38Å; K637-D641 PolarHBondContact O-N 2.94Å
638	R	90.4	Very high	88.4	Confident	127 Å²	127	78.8 Å²	78.8	48%	0.479	35%	0.349	S	S	.	.	H	α-helix	trans	-49.7	-40.4	176.1	75.5	-174.1	-171.4	125.9	5	114	K636 I640 D641 Q642	K636-R638 VanDerWaalsContact C-N 3.29Å; K636-R638 HydrophobicContact CB-CG 4.13Å; K636-R638 PolarHBondContact O-N 3.02Å; R638-I640 VanDerWaalsContact C-N 3.33Å; R638-D641 PolarHBondContact O-N 3.2Å; R638-Q642 WeakPolarHBondContact O-CB 3.4Å; R638-Q642 WeakPolarHBondContact O-CG 3.47Å; R638-Q642 PolarHBondContact O-N 3.15Å
639	H	91	Very high	87.7	Confident	4 Å²	4	82.2 Å²	82.2	2%	0.019	37%	0.367	C	S	.	.	H	α-helix	trans	-69.5	-35.8	179.9	-57	147.5	0	0	0	110.8	L634 L635 K636 K637 L643 L656	L634-H639 PolarHBondContact O-CE1 3.28Å; L635-H639 HydrophobicContact CD1-CB 3.97Å; K636-H639 PolarHBondContact N-ND1 3.48Å; K636-H639 PolarHBondContact O-N 3.46Å; K636-H639 VanDerWaalsContact O-N 3.09Å; K637-H639 PolarHBondContact O-N 3.31Å; K637-H639 VanDerWaalsContact O-N 3.13Å; H639-L643 WeakPolarHBondContact O-CB 3.29Å; H639-L643 VanDerWaalsContact O-CG 3.24Å; H639-L643 WeakPolarHBondContact O-CG 3.48Å; H639-L643 PolarHBondContact O-N 3.22Å; H639-L656 HydrophobicContact CB-CD1 4.37Å
640	I	91	Very high	87.5	Confident	11 Å²	11	84.1 Å²	84.1	6%	0.056	38%	0.38	C	S	.	.	H	α-helix	trans	-69.4	-42.1	178.4	-55.8	-59	0	0	0	110.7	I17 A25 I28 V29 L635 K637 R638 L643 K644	I17-I640 HydrophobicContact CD1-CG1 4.01Å; A25-I640 HydrophobicContact CB-CD1 4Å; A25-I640 HydrophobicContact CB-CG1 4.05Å; A25-I640 HydrophobicContact CB-CG2 4.29Å; I28-I640 HydrophobicContact CD1-CG2 3.89Å; V29-I640 HydrophobicContact CG2-CD1 3.5Å; V29-I640 VanDerWaalsContact CG2-CD1 3.5Å; L635-I640 HydrophobicContact CD1-CD1 4Å; L635-I640 HydrophobicContact CD2-CD1 4.14Å; L635-I640 HydrophobicContact CG-CD1 4.24Å; K637-I640 WeakPolarHBondContact O-CA 3.5Å; K637-I640 WeakPolarHBondContact O-CB 3.5Å; K637-I640 PolarHBondContact O-N 3.38Å; R638-I640 VanDerWaalsContact C-N 3.33Å; I640-L643 PolarHBondContact O-N 3.13Å; I640-K644 WeakPolarHBondContact O-CB 3.27Å; I640-K644 PolarHBondContact O-N 3.5Å
641	D	90.4	Very high	87.6	Confident	83 Å²	83	75.6 Å²	75.6	44%	0.444	34%	0.342	S	S	.	.	H	α-helix	trans	-66.1	-42.2	178.1	-65.1	-34.8	0	0	0	110.9	K637 R638 L643 K644 E645	K637-D641 PolarHBondContact O-N 2.94Å; R638-D641 PolarHBondContact O-N 3.2Å; D641-L643 VanDerWaalsContact C-N 3.34Å; D641-L643 PolarHBondContact O-N 3.29Å; D641-K644 PolarHBondContact O-N 3.12Å; D641-K644 VanDerWaalsContact O-N 3.16Å; D641-E645 PolarHBondContact O-N 3.31Å
642	Q	90	Very high	87.9	Confident	62 Å²	62	74.8 Å²	74.8	29%	0.29	34%	0.342	S	S	.	.	H	α-helix	trans	-59.9	-41.1	171.6	-72.4	172.9	-11.4	0	0	112.7	R638 E645 R646 Y651	R638-Q642 WeakPolarHBondContact O-CB 3.4Å; R638-Q642 WeakPolarHBondContact O-CG 3.47Å; R638-Q642 PolarHBondContact O-N 3.15Å; Q642-E645 CarbonylContact O-C 3.36Å; Q642-E645 PolarHBondContact O-N 2.93Å; Q642-R646 PolarHBondContact O-N 3.25Å; Q642-Y651 HydrophobicContact CB-CD1 3.93Å; Q642-Y651 HydrophobicContact CB-CG 4.15Å
643	L	89.4	Confident	88.1	Confident	10 Å²	10	70.5 Å²	70.5	5%	0.052	32%	0.323	C	S	.	.	H	α-helix	trans	-69.1	-32.4	175.4	-77.8	169.9	0	0	0	112.8	I28 V29 H639 I640 D641 E645 R646 Y651 L656	I28-L643 HydrophobicContact CG2-CB 4.04Å; V29-L643 HydrophobicContact CG2-CD1 3.92Å; H639-L643 WeakPolarHBondContact O-CB 3.29Å; H639-L643 VanDerWaalsContact O-CG 3.24Å; H639-L643 WeakPolarHBondContact O-CG 3.48Å; H639-L643 PolarHBondContact O-N 3.22Å; I640-L643 PolarHBondContact O-N 3.13Å; D641-L643 VanDerWaalsContact C-N 3.34Å; D641-L643 PolarHBondContact O-N 3.29Å; L643-E645 VanDerWaalsContact C-N 3.34Å; L643-R646 WeakPolarHBondContact O-CB 3.5Å; L643-R646 PolarHBondContact O-N 3.37Å; L643-Y651 HydrophobicContact CD2-CD1 3.76Å; L643-Y651 HydrophobicContact CD2-CE1 4.17Å; L643-Y651 HydrophobicContact CG-CD1 3.78Å; L643-Y651 HydrophobicContact CG-CE1 4Å; L643-L656 HydrophobicContact CD1-CD2 4.4Å
644	K	87.9	Confident	88.2	Confident	135 Å²	135	72.9 Å²	72.9	59%	0.587	33%	0.334	S	S	*	.	H	α-helix	trans	-70.1	-35.5	177.2	-170.2	-179.5	-77.1	167.3	0	110.9	I640 D641 R646	I640-K644 WeakPolarHBondContact O-CB 3.27Å; I640-K644 PolarHBondContact O-N 3.5Å; D641-K644 PolarHBondContact O-N 3.12Å; D641-K644 VanDerWaalsContact O-N 3.16Å; K644-R646 VanDerWaalsContact C-N 3.28Å; K644-R646 PolarHBondContact O-N 2.77Å
645	E	88.3	Confident	88.2	Confident	121 Å²	121	73.6 Å²	73.6	57%	0.565	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	23.4	177.1	-62.7	-178.2	177.1	0	0	113.6	D641 Q642 L643 E647 Y648 N649	D641-E645 PolarHBondContact O-N 3.31Å; Q642-E645 CarbonylContact O-C 3.36Å; Q642-E645 PolarHBondContact O-N 2.93Å; L643-E645 VanDerWaalsContact C-N 3.34Å; E645-E647 PolarHBondContact O-N 2.97Å; E645-Y648 PolarHBondContact O-N 3.19Å; E645-N649 PolarHBondContact O-N 2.9Å; E645-N649 VanDerWaalsContact O-N 3.13Å
646	R	79.1	Confident	88.2	Confident	86 Å²	86	73.4 Å²	73.4	33%	0.325	34%	0.337	S	S	.	.	H	α-helix	trans	-52.4	-35.1	-173.9	-173.4	177.7	94.4	-150.4	-1.1	114.4	D35 Q642 L643 K644 Y648 N650 Y651	D35-R646 VanDerWaalsContact CB-NH1 3.25Å; D35-R646 IonicContact OD2-CZ 3.8Å; D35-R646 VanDerWaalsContact OD2-CZ 3.27Å; D35-R646 IonicContact OD2-NH1 3.94Å; D35-R646 PolarHBondContact OD2-NH1 3.29Å; D35-R646 IonicContact OD2-NH2 3.82Å; D35-R646 PolarHBondContact OD2-NH2 3.42Å; Q642-R646 PolarHBondContact O-N 3.25Å; L643-R646 WeakPolarHBondContact O-CB 3.5Å; L643-R646 PolarHBondContact O-N 3.37Å; K644-R646 VanDerWaalsContact C-N 3.28Å; K644-R646 PolarHBondContact O-N 2.77Å; R646-Y648 PolarHBondContact O-N 3.01Å; R646-N650 WeakPolarHBondContact O-CA 3.49Å; R646-N650 PolarHBondContact O-N 3.28Å; R646-Y651 WeakPolarHBondContact CG-O 3.47Å
647	E	77.1	Confident	88.3	Confident	187 Å²	187	71.3 Å²	71.3	87%	0.874	33%	0.328	S	S	*	.	H	α-helix	trans	-60.8	-25.4	180	-64.9	-173.7	168.9	0	0	112.9	E645	E645-E647 PolarHBondContact O-N 2.97Å
648	Y	82.4	Confident	88.4	Confident	208 Å²	208	70.4 Å²	70.4	82%	0.816	33%	0.332	S	S	*	.	H	α-helix	trans	-101	-46.5	179.4	-61.5	-80.3	0	0	0	112.6	E645 R646	E645-Y648 PolarHBondContact O-N 3.19Å; R646-Y648 PolarHBondContact O-N 3.01Å
649	N	80.4	Confident	88.4	Confident	81 Å²	81	67.1 Å²	67.1	43%	0.433	33%	0.328	S	S	.	.	H	α-helix	trans	-96.4	2.4	-171.2	-164	27.1	0	0	0	114	E645 Y651	E645-N649 PolarHBondContact O-N 2.9Å; E645-N649 VanDerWaalsContact O-N 3.13Å; N649-Y651 PolarHBondContact O-N 3.47Å
650	N	83	Confident	88.4	Confident	131 Å²	131	67.2 Å²	67.2	70%	0.701	33%	0.33	S	S	*	.			trans	50.3	5.1	179.7	74.5	21.8	0	0	0	118.1	R646 S652	R646-N650 WeakPolarHBondContact O-CA 3.49Å; R646-N650 PolarHBondContact O-N 3.28Å; N650-S652 PolarHBondContact O-N 3.42Å; N650-S652 VanDerWaalsContact O-N 3.11Å
651	Y	89.4	Confident	88.6	Confident	29 Å²	29	66.8 Å²	66.8	11%	0.114	33%	0.328	C	S	.	.			trans	-59.9	110.6	179.9	-167.7	-104.7	0	0	0	111.2	Q642 L643 R646 N649 D655 L656	Q642-Y651 HydrophobicContact CB-CD1 3.93Å; Q642-Y651 HydrophobicContact CB-CG 4.15Å; L643-Y651 HydrophobicContact CD2-CD1 3.76Å; L643-Y651 HydrophobicContact CD2-CE1 4.17Å; L643-Y651 HydrophobicContact CG-CD1 3.78Å; L643-Y651 HydrophobicContact CG-CE1 4Å; R646-Y651 WeakPolarHBondContact CG-O 3.47Å; N649-Y651 PolarHBondContact O-N 3.47Å; Y651-D655 WeakPolarHBondContact CA-OD2 3.38Å; Y651-D655 HydrophobicContact CD2-CB 3.58Å; Y651-D655 HydrophobicContact CE2-CB 3.46Å; Y651-D655 VanDerWaalsContact CE2-CB 3.46Å; Y651-D655 HydrophobicContact CG-CB 4.3Å; Y651-L656 HydrophobicContact CE1-CD1 4.34Å
652	S	91.6	Very high	88.8	Confident	28 Å²	28	63 Å²	63	20%	0.196	31%	0.308	C	S	.	.			trans	-108.3	179.5	-170.8	95.2	0	0	0	0	113	E36 N650 Q654 D655 L656	E36-S652 WeakPolarHBondContact OE2-CB 3.16Å; E36-S652 PolarHBondContact OE2-OG 2.82Å; N650-S652 PolarHBondContact O-N 3.42Å; N650-S652 VanDerWaalsContact O-N 3.11Å; S652-Q654 PolarHBondContact O-N 3.44Å; S652-Q654 WeakPolarHBondContact OG-CB 3.15Å; S652-Q654 PolarHBondContact OG-N 2.54Å; S652-Q654 VanDerWaalsContact OG-N 3.1Å; S652-D655 PolarHBondContact N-OD2 3.03Å; S652-D655 PolarHBondContact O-N 3.46Å; S652-L656 PolarHBondContact O-N 2.86Å
653	W	93.3	Very high	89.1	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.8	-38.4	172.3	171.9	-94.2	0	0	0	111.5	V29 Y33 E36 M529 P624 D655 L656 V657 V662 Y664 I698	V29-W653 HydrophobicContact CG1-CE3 4.34Å; V29-W653 HydrophobicContact CG1-CZ3 3.71Å; Y33-W653 AromaticContact CD2-CD2 3.88Å; Y33-W653 HydrophobicContact CD2-CD2 3.88Å; Y33-W653 AromaticContact CD2-CE2 3.59Å; Y33-W653 HydrophobicContact CD2-CE3 4.39Å; Y33-W653 HydrophobicContact CD2-CG 4.28Å; Y33-W653 HydrophobicContact CD2-CH2 4.37Å; Y33-W653 AromaticContact CD2-CZ2 3.87Å; Y33-W653 HydrophobicContact CD2-CZ2 3.87Å; Y33-W653 AromaticContact CD2-NE1 3.8Å; Y33-W653 HydrophobicContact CE2-CZ2 4.5Å; Y33-W653 HydrophobicContact CG-CD2 4.45Å; E36-W653 HydrophobicContact CB-CB 4.48Å; E36-W653 PolarHBondContact OE2-N 3.23Å; M529-W653 HydrophobicContact CE-CH2 4.36Å; P624-W653 HydrophobicContact CB-CH2 3.76Å; P624-W653 HydrophobicContact CB-CZ2 3.52Å; P624-W653 HydrophobicContact CG-CH2 4.19Å; P624-W653 HydrophobicContact CG-CZ2 4.04Å; W653-D655 VanDerWaalsContact C-N 3.3Å; W653-D655 PolarHBondContact O-N 3.42Å; W653-L656 HydrophobicContact CE3-CD2 4.03Å; W653-L656 HydrophobicContact CZ3-CD2 3.94Å; W653-L656 WeakPolarHBondContact O-CB 3.38Å; W653-L656 PolarHBondContact O-N 2.89Å; W653-L656 VanDerWaalsContact O-N 3.15Å; W653-V657 HydrophobicContact CZ2-CG2 4.33Å; W653-V657 WeakPolarHBondContact O-CG2 3.36Å; W653-V657 PolarHBondContact O-N 2.65Å; W653-V662 HydrophobicContact CH2-CB 4.02Å; W653-V662 HydrophobicContact CH2-CG1 3.79Å; W653-V662 HydrophobicContact CH2-CG2 3.88Å; W653-V662 HydrophobicContact CZ2-CB 4.29Å; W653-V662 HydrophobicContact CZ2-CG2 3.83Å; W653-V662 HydrophobicContact CZ3-CG1 4.2Å; W653-V662 HydrophobicContact CZ3-CG2 4.45Å; W653-Y664 AromaticContact NE1-CZ 3.92Å; W653-Y664 PolarHBondContact NE1-OH 2.78Å; W653-I698 HydrophobicContact CH2-CD1 4.16Å
654	Q	91.6	Very high	89.4	Confident	68 Å²	68	60.7 Å²	60.7	32%	0.318	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-37.4	177	-163.7	63.9	25.7	0	0	112.6	E36 K37 M594 S652 L656 V657 A658	E36-Q654 PolarHBondContact OE2-N 2.93Å; K37-Q654 VanDerWaalsContact NZ-OE1 3.1Å; M594-Q654 PolarHBondContact SD-NE2 3.33Å; M594-Q654 VanDerWaalsContact SD-NE2 3.42Å; S652-Q654 PolarHBondContact O-N 3.44Å; S652-Q654 WeakPolarHBondContact OG-CB 3.15Å; S652-Q654 PolarHBondContact OG-N 2.54Å; S652-Q654 VanDerWaalsContact OG-N 3.1Å; Q654-L656 VanDerWaalsContact C-N 3.32Å; Q654-V657 PolarHBondContact O-N 2.97Å; Q654-A658 WeakPolarHBondContact O-CB 3.36Å; Q654-A658 PolarHBondContact O-N 3.12Å
655	D	92.1	Very high	89.8	Confident	62 Å²	62	54.4 Å²	54.4	33%	0.332	27%	0.269	S	S	.	.	H	α-helix	trans	-69.4	-32.9	175.7	-58.3	-45	0	0	0	111.8	Y651 S652 W653 V657 A658 S659	Y651-D655 WeakPolarHBondContact CA-OD2 3.38Å; Y651-D655 HydrophobicContact CD2-CB 3.58Å; Y651-D655 HydrophobicContact CE2-CB 3.46Å; Y651-D655 VanDerWaalsContact CE2-CB 3.46Å; Y651-D655 HydrophobicContact CG-CB 4.3Å; S652-D655 PolarHBondContact N-OD2 3.03Å; S652-D655 PolarHBondContact O-N 3.46Å; W653-D655 VanDerWaalsContact C-N 3.3Å; W653-D655 PolarHBondContact O-N 3.42Å; D655-V657 VanDerWaalsContact C-N 3.34Å; D655-A658 PolarHBondContact O-N 3.48Å; D655-S659 VanDerWaalsContact O-CB 3.32Å; D655-S659 WeakPolarHBondContact O-CB 3.43Å; D655-S659 PolarHBondContact O-N 3.42Å
656	L	92.7	Very high	90.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.2	-36.9	173.7	-167.1	69.3	0	0	0	111.9	V29 L635 H639 L643 Y651 S652 W653 Q654 V661 V662	V29-L656 HydrophobicContact CG1-CD2 3.87Å; L635-L656 HydrophobicContact CD1-CD1 4.17Å; H639-L656 HydrophobicContact CB-CD1 4.37Å; L643-L656 HydrophobicContact CD1-CD2 4.4Å; Y651-L656 HydrophobicContact CE1-CD1 4.34Å; S652-L656 PolarHBondContact O-N 2.86Å; W653-L656 HydrophobicContact CE3-CD2 4.03Å; W653-L656 HydrophobicContact CZ3-CD2 3.94Å; W653-L656 WeakPolarHBondContact O-CB 3.38Å; W653-L656 PolarHBondContact O-N 2.89Å; W653-L656 VanDerWaalsContact O-N 3.15Å; Q654-L656 VanDerWaalsContact C-N 3.32Å; L656-V661 HydrophobicContact CD1-CB 3.77Å; L656-V661 HydrophobicContact CD1-CG1 3.87Å; L656-V661 HydrophobicContact CD1-CG2 4Å; L656-V661 HydrophobicContact CG-CB 4.07Å; L656-V661 HydrophobicContact CG-CG1 4.31Å; L656-V661 PolarHBondContact O-N 3.18Å; L656-V662 HydrophobicContact CD2-CG1 3.99Å; L656-V662 HydrophobicContact CD2-CG2 4.39Å; L656-V662 HydrophobicContact CG-CG1 4.34Å; L656-V662 HydrophobicContact CG-CG2 4.2Å
657	V	93.3	Very high	91	Very high	4 Å²	4	45 Å²	45	2%	0.024	23%	0.229	C	C	.	.	H	α-helix	trans	-67	-46	171.6	-179.7	0	0	0	0	110.1	M594 S599 W653 Q654 D655 S659 G660 V662 Y664	M594-V657 HydrophobicContact CG-CG1 4.48Å; M594-V657 HydrophobicContact SD-CB 4.48Å; M594-V657 HydrophobicContact SD-CG1 3.8Å; S599-V657 WeakPolarHBondContact OG-CG1 3.41Å; W653-V657 HydrophobicContact CZ2-CG2 4.33Å; W653-V657 WeakPolarHBondContact O-CG2 3.36Å; W653-V657 PolarHBondContact O-N 2.65Å; Q654-V657 PolarHBondContact O-N 2.97Å; D655-V657 VanDerWaalsContact C-N 3.34Å; V657-S659 VanDerWaalsContact C-N 3.27Å; V657-S659 PolarHBondContact O-N 2.95Å; V657-G660 PolarHBondContact O-N 3.47Å; V657-V662 HydrophobicContact CB-CG2 4.16Å; V657-V662 HydrophobicContact CG2-CG2 3.54Å; V657-Y664 HydrophobicContact CG2-CE2 4.14Å
658	A	91	Very high	91.9	Very high	41 Å²	41	36.2 Å²	36.2	34%	0.339	19%	0.188	S	C	.	.	H	α-helix	trans	-62.1	-33.2	178.7	0	0	0	0	0	113.4	M594 Q654 D655 G660	M594-A658 HydrophobicContact CE-CB 3.36Å; Q654-A658 WeakPolarHBondContact O-CB 3.36Å; Q654-A658 PolarHBondContact O-N 3.12Å; D655-A658 PolarHBondContact O-N 3.48Å; A658-G660 PolarHBondContact O-N 3.02Å
659	S	90.7	Very high	92.5	Very high	58 Å²	58	26.7 Å²	26.7	41%	0.406	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-2.8	175.5	-174.4	0	0	0	0	112.9	D655 V657 V661	D655-S659 VanDerWaalsContact O-CB 3.32Å; D655-S659 WeakPolarHBondContact O-CB 3.43Å; D655-S659 PolarHBondContact O-N 3.42Å; V657-S659 VanDerWaalsContact C-N 3.27Å; V657-S659 PolarHBondContact O-N 2.95Å; S659-V661 VanDerWaalsContact C-N 3.32Å; S659-V661 PolarHBondContact O-N 2.84Å
660	G	92.1	Very high	93.2	Very high	6 Å²	6	24.6 Å²	24.6	6%	0.062	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	31.5	-178.7	0	0	0	0	0	113.5	I627 L634 V657 A658	I627-G660 WeakPolarHBondContact CD1-O 3.46Å; L634-G660 WeakPolarHBondContact CD1-O 3.31Å; V657-G660 PolarHBondContact O-N 3.47Å; A658-G660 PolarHBondContact O-N 3.02Å
661	V	94.4	Very high	93.8	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	13%	0.13	C	C	.	.	S	Bend	trans	-90.2	-32.8	178.1	178.6	0	0	0	0	111.4	L626 I627 L635 L656 S659	L626-V661 HydrophobicContact CD2-CG1 4.12Å; I627-V661 PolarHBondContact N-O 3.07Å; I627-V661 VanDerWaalsContact N-O 3.11Å; L635-V661 HydrophobicContact CB-CG1 3.72Å; L635-V661 HydrophobicContact CD1-CG1 3.8Å; L635-V661 HydrophobicContact CG-CG1 4.37Å; L656-V661 HydrophobicContact CD1-CB 3.77Å; L656-V661 HydrophobicContact CD1-CG1 3.87Å; L656-V661 HydrophobicContact CD1-CG2 4Å; L656-V661 HydrophobicContact CG-CB 4.07Å; L656-V661 HydrophobicContact CG-CG1 4.31Å; L656-V661 PolarHBondContact O-N 3.18Å; S659-V661 VanDerWaalsContact C-N 3.32Å; S659-V661 PolarHBondContact O-N 2.84Å
662	V	95.2	Very high	94	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.5	-179.6	-68.2	0	0	0	0	110.8	L625 L626 W653 L656 V657	L625-V662 CarbonylContact O-C 3.41Å; L625-V662 VanDerWaalsContact O-CA 3.25Å; L625-V662 WeakPolarHBondContact O-CA 3.36Å; L626-V662 HydrophobicContact CD2-CG1 3.58Å; L626-V662 HydrophobicContact CG-CG1 4.41Å; W653-V662 HydrophobicContact CH2-CB 4.02Å; W653-V662 HydrophobicContact CH2-CG1 3.79Å; W653-V662 HydrophobicContact CH2-CG2 3.88Å; W653-V662 HydrophobicContact CZ2-CB 4.29Å; W653-V662 HydrophobicContact CZ2-CG2 3.83Å; W653-V662 HydrophobicContact CZ3-CG1 4.2Å; W653-V662 HydrophobicContact CZ3-CG2 4.45Å; L656-V662 HydrophobicContact CD2-CG1 3.99Å; L656-V662 HydrophobicContact CD2-CG2 4.39Å; L656-V662 HydrophobicContact CG-CG1 4.34Å; L656-V662 HydrophobicContact CG-CG2 4.2Å; V657-V662 HydrophobicContact CB-CG2 4.16Å; V657-V662 HydrophobicContact CG2-CG2 3.54Å
663	E	95.2	Very high	94.1	Very high	7 Å²	7	25.1 Å²	25.1	3%	0.033	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	141.4	174.6	-83.6	-178.7	-172.3	0	0	110.8	R591 R592 P624 L625 I627 I665 H695	R591-E663 IonicContact CZ-OE2 3.91Å; R591-E663 IonicContact NE-OE2 3.39Å; R591-E663 IonicContact NH2-OE2 3.76Å; R591-E663 PolarHBondContact NH2-OE2 2.97Å; R592-E663 WeakPolarHBondContact CD-OE1 3.28Å; R592-E663 HydrophobicContact CG-CG 4.42Å; R592-E663 WeakPolarHBondContact CG-OE1 3.44Å; R592-E663 IonicContact CZ-OE1 2.7Å; R592-E663 IonicContact NE-OE1 2.76Å; R592-E663 PolarHBondContact NE-OE1 3.15Å; R592-E663 IonicContact NH2-OE1 3.02Å; P624-E663 CarbonylContact C-O 3.59Å; P624-E663 WeakPolarHBondContact CA-O 3.41Å; L625-E663 PolarHBondContact N-O 3.03Å; L625-E663 PolarHBondContact O-N 3.21Å; I627-E663 HydrophobicContact CD1-CB 4.46Å; I627-E663 HydrophobicContact CD1-CG 3.59Å; I627-E663 WeakPolarHBondContact CD1-OE1 3.31Å; I627-E663 HydrophobicContact CG1-CB 4.37Å; I627-E663 HydrophobicContact CG1-CG 4Å; E663-I665 HydrophobicContact CB-CD1 4.09Å; E663-H695 IonicContact OE2-CE1 3.37Å; E663-H695 IonicContact OE2-NE2 2.87Å; E663-H695 PolarHBondContact OE2-NE2 2.88Å
664	Y	96.1	Very high	94.2	Very high	17 Å²	17	28.2 Å²	28.2	7%	0.067	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	117.3	168.9	-75	-89.8	0	0	0	109.1	Y531 R591 P624 W653 V657	Y531-Y664 HydrophobicContact CD1-CD1 4.25Å; Y531-Y664 HydrophobicContact CD1-CE1 4.16Å; Y531-Y664 HydrophobicContact CG-CE1 4.16Å; R591-Y664 PolarHBondContact NH1-O 2.9Å; P624-Y664 HydrophobicContact CB-CD1 4.29Å; P624-Y664 HydrophobicContact CB-CE1 4.13Å; P624-Y664 HydrophobicContact CG-CE1 4.35Å; W653-Y664 AromaticContact NE1-CZ 3.92Å; W653-Y664 PolarHBondContact NE1-OH 2.78Å; V657-Y664 HydrophobicContact CG2-CE2 4.14Å
665	I	97.1	Very high	94.4	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.015	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.8	-179.4	-59.8	-53.5	0	0	0	109.1	M508 C622 R623 L625 E663 E669 E670 V673	M508-I665 WeakPolarHBondContact CE-O 3.18Å; C622-I665 CarbonylContact C-O 3.57Å; C622-I665 WeakPolarHBondContact CA-O 3.43Å; C622-I665 VanDerWaalsContact CB-O 3.31Å; C622-I665 WeakPolarHBondContact CB-O 3.49Å; R623-I665 PolarHBondContact N-O 3.4Å; R623-I665 PolarHBondContact O-N 3.28Å; L625-I665 HydrophobicContact CB-CG1 4.45Å; L625-I665 HydrophobicContact CD1-CB 3.98Å; L625-I665 HydrophobicContact CD1-CG1 3.84Å; L625-I665 HydrophobicContact CD1-CG2 4.39Å; L625-I665 HydrophobicContact CG-CG1 4.41Å; E663-I665 HydrophobicContact CB-CD1 4.09Å; I665-E669 WeakPolarHBondContact CA-OE2 3.44Å; I665-E669 HydrophobicContact CG2-CB 3.83Å; I665-E670 HydrophobicContact CG2-CB 4.49Å; I665-V673 HydrophobicContact CG2-CG1 4.38Å
666	D	96.1	Very high	94.4	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	172.4	173.6	88.2	-0.8	0	0	0	112.4	S602 R620 I621 C622 L668 E669 E670	S602-D666 WeakPolarHBondContact CB-OD2 3.46Å; S602-D666 PolarHBondContact OG-OD2 2.95Å; R620-D666 IonicContact NH1-OD2 3.13Å; I621-D666 WeakPolarHBondContact O-CA 3.47Å; C622-D666 HydrophobicContact CB-CB 4.25Å; D666-L668 VanDerWaalsContact C-N 3.25Å; D666-L668 PolarHBondContact O-N 2.83Å; D666-L668 WeakPolarHBondContact OD1-CA 3.43Å; D666-L668 PolarHBondContact OD1-N 3.12Å; D666-E669 PolarHBondContact N-OE2 2.97Å; D666-E669 PolarHBondContact O-N 2.76Å; D666-E669 PolarHBondContact OD1-N 3.43Å; D666-E670 WeakPolarHBondContact O-CB 3.41Å; D666-E670 PolarHBondContact O-N 2.94Å
667	T	96.3	Very high	94.3	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.031	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.4	-177.3	-47	0	0	0	0	114.1	T504	T504-T667 HydrophobicContact CG2-CG2 4.16Å
668	L	95.2	Very high	94.1	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-36.1	178.1	-70.6	177.1	0	0	0	111.2	I604 Y615 D666 E670 E671	I604-L668 HydrophobicContact CD1-CB 3.9Å; I604-L668 HydrophobicContact CG1-CB 3.84Å; Y615-L668 HydrophobicContact CD2-CD1 4.11Å; Y615-L668 HydrophobicContact CE2-CD1 3.55Å; D666-L668 VanDerWaalsContact C-N 3.25Å; D666-L668 PolarHBondContact O-N 2.83Å; D666-L668 WeakPolarHBondContact OD1-CA 3.43Å; D666-L668 PolarHBondContact OD1-N 3.12Å; L668-E670 PolarHBondContact O-N 2.84Å; L668-E671 PolarHBondContact O-N 3.2Å
669	E	95.6	Very high	93.9	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.037	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-62.3	-34.1	169.6	-73.6	-177.8	152.8	0	0	111.5	R591 S602 M603 I604 I665 D666 E671 T672 V673	R591-E669 IonicContact CZ-OE1 2.78Å; R591-E669 IonicContact NH1-OE1 3.49Å; R591-E669 PolarHBondContact NH1-OE1 3.42Å; R591-E669 IonicContact NH1-OE2 3.73Å; R591-E669 PolarHBondContact NH1-OE2 3.43Å; R591-E669 IonicContact NH2-OE1 2.73Å; R591-E669 IonicContact NH2-OE2 3.53Å; S602-E669 WeakPolarHBondContact CA-OE1 3.47Å; M603-E669 PolarHBondContact N-OE1 3.13Å; I604-E669 HydrophobicContact CD1-CG 4.2Å; I604-E669 HydrophobicContact CG1-CG 3.86Å; I665-E669 WeakPolarHBondContact CA-OE2 3.44Å; I665-E669 HydrophobicContact CG2-CB 3.83Å; D666-E669 PolarHBondContact N-OE2 2.97Å; D666-E669 PolarHBondContact O-N 2.76Å; D666-E669 PolarHBondContact OD1-N 3.43Å; E669-E671 PolarHBondContact O-N 3.21Å; E669-E671 VanDerWaalsContact O-N 3.14Å; E669-T672 PolarHBondContact O-N 3.12Å; E669-T672 PolarHBondContact O-OG1 3.49Å; E669-V673 PolarHBondContact O-N 3.42Å
670	E	95.8	Very high	93.4	Very high	37 Å²	37	29 Å²	29	17%	0.173	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-56.6	-27.2	177.4	-166.3	167.9	-157.6	0	0	113.6	R623 I665 D666 L668 T672	R623-E670 IonicContact CZ-OE1 3.64Å; R623-E670 IonicContact NE-OE1 2.72Å; R623-E670 IonicContact NH2-OE1 2.91Å; R623-E670 PolarHBondContact NH2-OE1 3.47Å; I665-E670 HydrophobicContact CG2-CB 4.49Å; D666-E670 WeakPolarHBondContact O-CB 3.41Å; D666-E670 PolarHBondContact O-N 2.94Å; L668-E670 PolarHBondContact O-N 2.84Å; E670-T672 VanDerWaalsContact C-N 3.29Å; E670-T672 PolarHBondContact O-N 2.78Å
671	E	94	Very high	92.8	Very high	108 Å²	108	31.6 Å²	31.6	51%	0.505	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-71.1	-24.4	175.8	-63.7	179.4	-177.9	0	0	113	H387 L668 E669	H387-E671 IonicContact CD2-OE1 3.26Å; H387-E671 IonicContact CE1-OE1 2.68Å; H387-E671 PolarHBondContact CE1-OE1 2.73Å; H387-E671 IonicContact ND1-OE1 3.38Å; H387-E671 IonicContact NE2-OE1 2.75Å; H387-E671 PolarHBondContact NE2-OE1 2.88Å; L668-E671 PolarHBondContact O-N 3.2Å; E669-E671 PolarHBondContact O-N 3.21Å; E669-E671 VanDerWaalsContact O-N 3.14Å
672	T	94.1	Very high	92	Very high	67 Å²	67	32 Å²	32	41%	0.411	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-11.7	-175.2	62.4	0	0	0	0	113.9	I604 E669 E670	I604-T672 HydrophobicContact CG2-CG2 3.64Å; E669-T672 PolarHBondContact O-N 3.12Å; E669-T672 PolarHBondContact O-OG1 3.49Å; E670-T672 VanDerWaalsContact C-N 3.29Å; E670-T672 PolarHBondContact O-N 2.78Å
673	V	94.9	Very high	91	Very high	24 Å²	24	36.6 Å²	36.6	15%	0.145	19%	0.19	C	C	.	.			trans	-103.6	149.7	-171.9	76.2	0	0	0	0	110.3	I665 E669 L675 T694 H695	I665-V673 HydrophobicContact CG2-CG1 4.38Å; E669-V673 PolarHBondContact O-N 3.42Å; V673-L675 HydrophobicContact CG1-CD1 3.64Å; V673-T694 WeakPolarHBondContact CG2-OG1 3.48Å; V673-H695 HydrophobicContact CG2-CB 4.33Å; V673-H695 WeakPolarHBondContact CG2-ND1 3.4Å
674	M	94.9	Very high	89.4	Confident	65 Å²	65	45.8 Å²	45.8	32%	0.32	23%	0.232	S	C	.	.			trans	-114.7	119.3	176.4	-170.8	63.4	179	0	0	110.2	Y689 C690 Y693 T694 H695	M674-Y689 HydrophobicContact CE-CD1 4.5Å; M674-Y689 HydrophobicContact CE-CE1 3.95Å; M674-C690 HydrophobicContact CE-CB 4.06Å; M674-Y693 HydrophobicContact CE-CE1 4.01Å; M674-Y693 HydrophobicContact CG-CD1 3.82Å; M674-Y693 HydrophobicContact CG-CE1 4.12Å; M674-T694 PolarHBondContact N-OG1 2.74Å; M674-T694 PolarHBondContact O-N 2.8Å; M674-T694 PolarHBondContact O-OG1 2.77Å; M674-H695 PolarHBondContact O-N 2.87Å; M674-H695 VanDerWaalsContact O-N 3.16Å
675	L	94.7	Very high	87.8	Confident	38 Å²	38	50 Å²	50	20%	0.199	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	136.2	-175.6	-68.7	90.7	0	0	0	113	L625 V673 Y693 H695	L625-L675 HydrophobicContact CD1-CD2 3.44Å; L625-L675 VanDerWaalsContact CD1-CD2 3.44Å; L625-L675 HydrophobicContact CD1-CG 4.11Å; L625-L675 HydrophobicContact CD2-CD2 3.9Å; L625-L675 HydrophobicContact CG-CD2 4.33Å; V673-L675 HydrophobicContact CG1-CD1 3.64Å; L675-Y693 VanDerWaalsContact C-CD1 3.49Å; L675-Y693 VanDerWaalsContact O-CE1 3.3Å; L675-Y693 WeakPolarHBondContact O-CE1 3.44Å; L675-H695 CarbonylContact C-O 3.49Å; L675-H695 VanDerWaalsContact CA-O 3.32Å; L675-H695 WeakPolarHBondContact CA-O 3.41Å; L675-H695 HydrophobicContact CG-CB 4.46Å
676	A	93.1	Very high	85.9	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	138.4	161.6	0	0	0	0	0	110.4	D681 L682 Y693 H695 C696 E697	A676-D681 HydrophobicContact CB-CB 4.47Å; A676-L682 HydrophobicContact CB-CD2 3.83Å; A676-L682 HydrophobicContact CB-CG 3.96Å; A676-Y693 HydrophobicContact CB-CD1 3.86Å; A676-Y693 HydrophobicContact CB-CE1 4.1Å; A676-Y693 HydrophobicContact CB-CG 4.1Å; A676-H695 PolarHBondContact N-O 3.4Å; A676-C696 HydrophobicContact CB-CB 4.29Å; A676-C696 WeakPolarHBondContact O-CA 2.96Å; A676-E697 PolarHBondContact O-N 3Å
677	M	91	Very high	84.5	Confident	79 Å²	79	65.8 Å²	65.8	39%	0.389	33%	0.334	S	S	.	.	S	Bend	trans	-78	-39.4	-179.1	-75.8	-64.7	-65	0	0	112.2	W506 P700	W506-M677 HydrophobicContact CZ2-CE 3.95Å; W506-M677 HydrophobicContact CZ2-SD 4.32Å; M677-P700 HydrophobicContact CE-CB 4.24Å; M677-P700 HydrophobicContact CE-CG 4.12Å
678	T	88.1	Confident	83	Confident	48 Å²	48	69 Å²	69	29%	0.294	36%	0.36	S	S	.	.	S	Bend	trans	-135.8	155.1	174.9	57.9	0	0	0	0	109.6	D680 D681	T678-D680 PolarHBondContact O-N 3.17Å; T678-D681 PolarHBondContact N-OD2 3.4Å; T678-D681 WeakPolarHBondContact O-CB 3.07Å; T678-D681 PolarHBondContact O-N 3.3Å; T678-D681 PolarHBondContact OG1-OD2 2.89Å
679	P	86.6	Confident	82.2	Confident	21 Å²	21	78.4 Å²	78.4	14%	0.136	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-66.7	-17.6	176.6	28.4	-37	0	0	0	113.5	W22 L633 D681 L682	W22-P679 HydrophobicContact CB-CG 4.24Å; W22-P679 HydrophobicContact CD2-CG 3.45Å; W22-P679 VanDerWaalsContact CD2-CG 3.45Å; W22-P679 VanDerWaalsContact CE2-CD 3.48Å; W22-P679 HydrophobicContact CE3-CG 3.98Å; W22-P679 HydrophobicContact CG-CG 3.53Å; W22-P679 HydrophobicContact CZ2-CG 4.09Å; W22-P679 HydrophobicContact CZ3-CG 4.47Å; L633-P679 HydrophobicContact CD1-CB 3.93Å; P679-D681 PolarHBondContact O-N 2.68Å; P679-L682 HydrophobicContact CB-CD1 4.28Å; P679-L682 WeakPolarHBondContact O-CB 3.32Å; P679-L682 PolarHBondContact O-N 2.9Å; P679-L682 VanDerWaalsContact O-N 3.1Å
680	D	81.8	Confident	81.6	Confident	62 Å²	62	79.3 Å²	79.3	33%	0.332	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-63.4	-24.8	171.5	-170	59.1	0	0	0	112.3	T678 L682 K685	T678-D680 PolarHBondContact O-N 3.17Å; D680-L682 VanDerWaalsContact C-N 3.27Å; D680-L682 PolarHBondContact O-N 2.88Å; D680-K685 IonicContact OD2-NZ 2.96Å; D680-K685 PolarHBondContact OD2-NZ 3.16Å
681	D	78.2	Confident	81	Confident	61 Å²	61	81.9 Å²	81.9	33%	0.326	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-75.3	-16.7	175.8	-56.7	-47	0	0	0	112.7	A676 T678 P679	A676-D681 HydrophobicContact CB-CB 4.47Å; T678-D681 PolarHBondContact N-OD2 3.4Å; T678-D681 WeakPolarHBondContact O-CB 3.07Å; T678-D681 PolarHBondContact O-N 3.3Å; T678-D681 PolarHBondContact OG1-OD2 2.89Å; P679-D681 PolarHBondContact O-N 2.68Å
682	L	79	Confident	80.8	Confident	11 Å²	11	81.4 Å²	81.4	6%	0.058	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-84.1	-15.1	178.8	-63.4	164.6	0	0	0	112.4	V628 Q631 L633 A676 P679 D680 Y693 C696	V628-L682 HydrophobicContact CB-CD2 4.46Å; V628-L682 HydrophobicContact CG1-CD2 3.72Å; V628-L682 HydrophobicContact CG2-CD1 3.99Å; V628-L682 HydrophobicContact CG2-CD2 3.89Å; Q631-L682 PolarHBondContact OE1-O 2.91Å; L633-L682 HydrophobicContact CD2-CD1 3.86Å; L633-L682 HydrophobicContact CG-CD1 3.93Å; A676-L682 HydrophobicContact CB-CD2 3.83Å; A676-L682 HydrophobicContact CB-CG 3.96Å; P679-L682 HydrophobicContact CB-CD1 4.28Å; P679-L682 WeakPolarHBondContact O-CB 3.32Å; P679-L682 PolarHBondContact O-N 2.9Å; P679-L682 VanDerWaalsContact O-N 3.1Å; D680-L682 VanDerWaalsContact C-N 3.27Å; D680-L682 PolarHBondContact O-N 2.88Å; L682-Y693 HydrophobicContact CD2-CD2 3.96Å; L682-Y693 HydrophobicContact CD2-CG 4.03Å; L682-C696 HydrophobicContact CD1-CB 4.28Å
683	Q	73.3	Confident	80.7	Confident	99 Å²	99	79.6 Å²	79.6	46%	0.463	42%	0.417	S	S	.	.	S	Bend	trans	-73.7	145	178.5	-62.2	-172.9	-3.6	0	0	110.9	P19 K685	P19-Q683 VanDerWaalsContact CG-NE2 3.28Å; Q683-K685 VanDerWaalsContact C-N 3.33Å; Q683-K685 PolarHBondContact O-N 3.2Å
684	E	61.8	Low	80.6	Confident	199 Å²	199	81 Å²	81	93%	0.93	43%	0.425	S	S	*	.			trans	-65.1	88.1	177.6	-69.5	-172.5	167	0	0	110.9
685	K	62.4	Low	80.7	Confident	105 Å²	105	78.5 Å²	78.5	46%	0.457	41%	0.413	S	S	.	.			trans	-79.7	144.7	166.6	-65.2	-174.8	179.9	171.9	0	109	D680 Q683 V687	D680-K685 IonicContact OD2-NZ 2.96Å; D680-K685 PolarHBondContact OD2-NZ 3.16Å; Q683-K685 VanDerWaalsContact C-N 3.33Å; Q683-K685 PolarHBondContact O-N 3.2Å; K685-V687 PolarHBondContact O-N 3.47Å
686	E	56.7	Low	80.7	Confident	206 Å²	206	76.7 Å²	76.7	96%	0.963	40%	0.403	S	S	*	.	S	Bend	trans	-54.3	-20.2	-179.3	-65.1	-175.9	168.1	0	0	113.8
687	V	67.4	Low	80.8	Confident	133 Å²	133	77.1 Å²	77.1	81%	0.806	41%	0.405	S	S	*	.	S	Bend	trans	-125.1	89.1	173.5	-175.3	0	0	0	0	109.2	K685	K685-V687 PolarHBondContact O-N 3.47Å
688	A	64.5	Low	80.9	Confident	72 Å²	72	73.5 Å²	73.5	60%	0.595	39%	0.387	S	S	*	.			trans	-77.4	124	178.8	0	0	0	0	0	111.4
689	Y	79.5	Confident	81.3	Confident	203 Å²	203	71.4 Å²	71.4	80%	0.796	37%	0.374	S	S	*	.	S	Bend	trans	-69.7	-41.1	171.2	175.9	-101.8	0	0	0	111.6	M674	M674-Y689 HydrophobicContact CE-CD1 4.5Å; M674-Y689 HydrophobicContact CE-CE1 3.95Å
690	C	82.2	Confident	81.7	Confident	27 Å²	27	71.1 Å²	71.1	18%	0.182	37%	0.372	C	S	.	.			trans	-151.6	134.1	179.1	-176.1	0	0	0	0	109.3	M674 T692 Y693	M674-C690 HydrophobicContact CE-CB 4.06Å; C690-T692 PolarHBondContact SG-N 3.06Å; C690-T692 PolarHBondContact SG-OG1 2.76Å; C690-T692 VanDerWaalsContact SG-OG1 3.33Å; C690-Y693 HydrophobicContact CB-CE1 4.33Å; C690-Y693 HydrophobicContact CB-CE2 3.97Å; C690-Y693 WeakPolarHBondContact O-CE2 3.47Å
691	S	83.1	Confident	82.3	Confident	90 Å²	90	68.2 Å²	68.2	63%	0.629	36%	0.357	S	S	*	.	S	Bend	trans	-106.9	9.7	175.6	57.5	0	0	0	0	112.8	Q631	Q631-S691 PolarHBondContact NE2-O 3.35Å
692	T	88.8	Confident	83.2	Confident	98 Å²	98	65.5 Å²	65.5	60%	0.601	34%	0.342	S	S	*	.			trans	-125	45.6	-175.8	58.9	0	0	0	0	111.7	C690	C690-T692 PolarHBondContact SG-N 3.06Å; C690-T692 PolarHBondContact SG-OG1 2.76Å; C690-T692 VanDerWaalsContact SG-OG1 3.33Å
693	Y	93	Very high	84	Confident	30 Å²	30	65.4 Å²	65.4	12%	0.118	34%	0.342	C	S	.	.			trans	-67.6	142.3	171.5	-71	-70.4	0	0	0	110.1	M674 L675 A676 L682 C690	M674-Y693 HydrophobicContact CE-CE1 4.01Å; M674-Y693 HydrophobicContact CG-CD1 3.82Å; M674-Y693 HydrophobicContact CG-CE1 4.12Å; L675-Y693 VanDerWaalsContact C-CD1 3.49Å; L675-Y693 VanDerWaalsContact O-CE1 3.3Å; L675-Y693 WeakPolarHBondContact O-CE1 3.44Å; A676-Y693 HydrophobicContact CB-CD1 3.86Å; A676-Y693 HydrophobicContact CB-CE1 4.1Å; A676-Y693 HydrophobicContact CB-CG 4.1Å; L682-Y693 HydrophobicContact CD2-CD2 3.96Å; L682-Y693 HydrophobicContact CD2-CG 4.03Å; C690-Y693 HydrophobicContact CB-CE1 4.33Å; C690-Y693 HydrophobicContact CB-CE2 3.97Å; C690-Y693 WeakPolarHBondContact O-CE2 3.47Å
694	T	93.5	Very high	85.1	Confident	53 Å²	53	61.6 Å²	61.6	33%	0.325	32%	0.324	S	S	.	.			trans	-114.4	-32	-178.3	55.6	0	0	0	0	111.8	V628 V673 M674	V628-T694 PolarHBondContact N-O 3.05Å; V673-T694 WeakPolarHBondContact CG2-OG1 3.48Å; M674-T694 PolarHBondContact N-OG1 2.74Å; M674-T694 PolarHBondContact O-N 2.8Å; M674-T694 PolarHBondContact O-OG1 2.77Å
695	H	95.7	Very high	86.7	Confident	12 Å²	12	52.1 Å²	52.1	6%	0.056	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	163.8	179.8	-69.6	79.1	0	0	0	111	L625 L626 E663 V673 M674 L675 A676	L625-H695 HydrophobicContact CB-CB 4.17Å; L625-H695 HydrophobicContact CD1-CB 4.26Å; L626-H695 CarbonylContact O-C 3.54Å; L626-H695 WeakPolarHBondContact O-CA 3Å; L626-H695 WeakPolarHBondContact O-CB 3.33Å; L626-H695 PolarHBondContact O-CD2 3.34Å; E663-H695 IonicContact OE2-CE1 3.37Å; E663-H695 IonicContact OE2-NE2 2.87Å; E663-H695 PolarHBondContact OE2-NE2 2.88Å; V673-H695 HydrophobicContact CG2-CB 4.33Å; V673-H695 WeakPolarHBondContact CG2-ND1 3.4Å; M674-H695 PolarHBondContact O-N 2.87Å; M674-H695 VanDerWaalsContact O-N 3.16Å; L675-H695 CarbonylContact C-O 3.49Å; L675-H695 VanDerWaalsContact CA-O 3.32Å; L675-H695 WeakPolarHBondContact CA-O 3.41Å; L675-H695 HydrophobicContact CG-CB 4.46Å; A676-H695 PolarHBondContact N-O 3.4Å
696	C	94.6	Very high	88.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	141.5	173.8	-172.5	0	0	0	0	110.4	L626 V628 L633 A676 L682	L626-C696 HydrophobicContact CB-CB 4.39Å; L626-C696 PolarHBondContact N-O 2.79Å; L626-C696 PolarHBondContact O-N 2.91Å; V628-C696 HydrophobicContact CG2-CB 3.95Å; L633-C696 HydrophobicContact CD2-CB 3.72Å; A676-C696 HydrophobicContact CB-CB 4.29Å; A676-C696 WeakPolarHBondContact O-CA 2.96Å; L682-C696 HydrophobicContact CD1-CB 4.28Å
697	E	95.3	Very high	90.2	Very high	11 Å²	11	37.4 Å²	37.4	5%	0.051	21%	0.213	C	C	.	.			trans	-66.1	135.9	172.4	-162.7	73.5	-147.8	0	0	110.2	R623 A676	R623-E697 IonicContact CZ-OE2 3.7Å; R623-E697 IonicContact NH1-OE1 3.73Å; R623-E697 PolarHBondContact NH1-OE1 3.2Å; R623-E697 IonicContact NH1-OE2 3.71Å; R623-E697 PolarHBondContact NH1-OE2 2.9Å; R623-E697 IonicContact NH2-OE2 2.93Å; A676-E697 PolarHBondContact O-N 3Å
698	I	94.4	Very high	91.6	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	18%	0.175	C	C	.	.	S	Bend	trans	-66.8	-51.5	177.1	-57.8	168.5	0	0	0	110	W22 C26 I30 M529 P624 L626 W653	W22-I698 VanDerWaalsContact CZ2-O 3.29Å; W22-I698 WeakPolarHBondContact CZ2-O 3.19Å; C26-I698 HydrophobicContact CB-CG2 4.33Å; C26-I698 WeakPolarHBondContact CB-O 3.22Å; I30-I698 HydrophobicContact CD1-CG2 3.89Å; I30-I698 HydrophobicContact CG1-CG2 3.64Å; M529-I698 HydrophobicContact CE-CD1 3.75Å; M529-I698 HydrophobicContact SD-CD1 4.15Å; P624-I698 HydrophobicContact CB-CD1 4.47Å; P624-I698 HydrophobicContact CG-CD1 4.4Å; L626-I698 HydrophobicContact CD1-CG1 4.07Å; L626-I698 HydrophobicContact CG-CG1 3.95Å; W653-I698 HydrophobicContact CH2-CD1 4.16Å
699	H	95.1	Very high	93.2	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.019	15%	0.147	C	C	.	.			trans	-158.8	131.6	171.2	-169	-87.5	0	0	0	110.9	W27 I30 S701 M702	W27-H699 AromaticContact CZ2-CE1 3.63Å; W27-H699 AromaticContact CZ2-CG 3.95Å; W27-H699 AromaticContact CZ2-ND1 3.68Å; W27-H699 AromaticContact CZ2-NE2 3.83Å; W27-H699 AromaticContact NE1-CD2 3.96Å; I30-H699 HydrophobicContact CD1-CB 3.77Å; H699-S701 PolarHBondContact CE1-OG 3.18Å; H699-S701 VanDerWaalsContact ND1-CB 3.31Å; H699-S701 WeakPolarHBondContact ND1-CB 3.37Å; H699-S701 PolarHBondContact ND1-N 3.41Å; H699-S701 VanDerWaalsContact ND1-N 3.11Å; H699-S701 PolarHBondContact ND1-OG 2.96Å; H699-S701 PolarHBondContact O-N 3.19Å; H699-M702 WeakPolarHBondContact O-CB 3.38Å; H699-M702 PolarHBondContact O-N 3.04Å; H699-M702 VanDerWaalsContact O-N 3.09Å
700	P	94.9	Very high	94	Very high	15 Å²	15	18.2 Å²	18.2	10%	0.097	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-59.3	-24.1	-176.4	-27.4	35.5	0	0	0	115.3	M677 M702 I703 F1002	M677-P700 HydrophobicContact CE-CB 4.24Å; M677-P700 HydrophobicContact CE-CG 4.12Å; P700-M702 PolarHBondContact O-N 3.37Å; P700-I703 VanDerWaalsContact O-CG1 3.28Å; P700-I703 WeakPolarHBondContact O-CG1 3.47Å; P700-I703 WeakPolarHBondContact O-CG2 3.1Å; P700-I703 PolarHBondContact O-N 3.19Å; P700-F1002 HydrophobicContact CB-CD2 3.71Å; P700-F1002 HydrophobicContact CB-CE2 4.17Å; P700-F1002 HydrophobicContact CB-CG 4.32Å
701	S	95.4	Very high	94.7	Very high	1 Å²	1	17 Å²	17	1%	0.007	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-67.3	-14.9	178.5	71.9	0	0	0	0	114	W27 H699 I703 L704	W27-S701 WeakPolarHBondContact CH2-OG 3.48Å; H699-S701 PolarHBondContact CE1-OG 3.18Å; H699-S701 VanDerWaalsContact ND1-CB 3.31Å; H699-S701 WeakPolarHBondContact ND1-CB 3.37Å; H699-S701 PolarHBondContact ND1-N 3.41Å; H699-S701 VanDerWaalsContact ND1-N 3.11Å; H699-S701 PolarHBondContact ND1-OG 2.96Å; H699-S701 PolarHBondContact O-N 3.19Å; S701-I703 PolarHBondContact O-N 3.35Å; S701-L704 WeakPolarHBondContact O-CB 3.36Å; S701-L704 PolarHBondContact O-N 3.23Å
702	M	96	Very high	95.4	Very high	5 Å²	5	12.7 Å²	12.7	3%	0.025	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-70.7	-12.6	-179.2	-64.8	-62	109.2	0	0	113.2	W27 I30 F34 L528 M529 H699 P700 L704 S763	W27-M702 HydrophobicContact CH2-CE 3.75Å; W27-M702 HydrophobicContact CZ3-CE 3.71Å; I30-M702 HydrophobicContact CD1-CE 4.2Å; I30-M702 HydrophobicContact CD1-CG 4.05Å; I30-M702 HydrophobicContact CD1-SD 4.15Å; I30-M702 HydrophobicContact CG2-CE 4.4Å; I30-M702 HydrophobicContact CG2-SD 3.93Å; F34-M702 HydrophobicContact CE2-SD 4.27Å; L528-M702 HydrophobicContact CB-SD 4.08Å; L528-M702 HydrophobicContact CD1-CE 3.91Å; L528-M702 HydrophobicContact CD1-SD 4.06Å; L528-M702 PolarHBondContact N-O 2.97Å; M529-M702 HydrophobicContact CG-CB 4.1Å; M529-M702 HydrophobicContact CG-CG 3.94Å; M529-M702 HydrophobicContact CG-SD 3.75Å; M529-M702 HydrophobicContact SD-CB 4.12Å; M529-M702 HydrophobicContact SD-CG 3.61Å; M529-M702 HydrophobicContact SD-SD 3.95Å; H699-M702 WeakPolarHBondContact O-CB 3.38Å; H699-M702 PolarHBondContact O-N 3.04Å; H699-M702 VanDerWaalsContact O-N 3.09Å; P700-M702 PolarHBondContact O-N 3.37Å; M702-L704 PolarHBondContact O-N 3.24Å; M702-S763 WeakPolarHBondContact CE-OG 3.5Å
703	I	96.5	Very high	95.8	Very high	9 Å²	9	8.4 Å²	8.4	5%	0.046	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-65.9	-18.7	171.6	74.6	-176.6	0	0	0	113.1	W506 P700 S701 F1002	W506-I703 HydrophobicContact CD2-CG2 4.32Å; W506-I703 HydrophobicContact CE3-CD1 4.37Å; W506-I703 HydrophobicContact CH2-CD1 3.58Å; W506-I703 HydrophobicContact CH2-CG2 4.35Å; W506-I703 HydrophobicContact CZ2-CD1 4.22Å; W506-I703 HydrophobicContact CZ2-CG2 3.96Å; W506-I703 HydrophobicContact CZ3-CD1 3.67Å; P700-I703 VanDerWaalsContact O-CG1 3.28Å; P700-I703 WeakPolarHBondContact O-CG1 3.47Å; P700-I703 WeakPolarHBondContact O-CG2 3.1Å; P700-I703 PolarHBondContact O-N 3.19Å; S701-I703 PolarHBondContact O-N 3.35Å; I703-F1002 HydrophobicContact CD1-CE2 4.46Å
704	L	97.3	Very high	95.9	Very high	18 Å²	18	7.5 Å²	7.5	9%	0.094	4%	0.042	C	C	.	.	S	Bend	trans	-77.8	155.9	-177.7	-62.2	-179.4	0	0	0	111.5	A527 L528 S701 M702 A708 S709 P714 P1001	A527-L704 CarbonylContact C-O 3.59Å; A527-L704 WeakPolarHBondContact CA-O 3.34Å; L528-L704 WeakPolarHBondContact CG-O 3.44Å; L528-L704 PolarHBondContact N-O 3.05Å; S701-L704 WeakPolarHBondContact O-CB 3.36Å; S701-L704 PolarHBondContact O-N 3.23Å; M702-L704 PolarHBondContact O-N 3.24Å; L704-A708 HydrophobicContact CB-CB 4.21Å; L704-A708 HydrophobicContact CD2-CB 4.2Å; L704-S709 WeakPolarHBondContact CB-OG 3.44Å; L704-P714 HydrophobicContact CD1-CG 4.07Å; L704-P1001 HydrophobicContact CD1-CG 3.82Å
705	G	95.4	Very high	96.1	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.			trans	-87.8	-176.5	172.7	0	0	0	0	0	111.9	C510 A708 S709	C510-G705 VanDerWaalsContact CB-N 3.25Å; C510-G705 PolarHBondContact SG-N 3.14Å; G705-A708 PolarHBondContact O-N 2.91Å; G705-S709 VanDerWaalsContact O-CB 3.28Å; G705-S709 WeakPolarHBondContact O-CB 3.45Å; G705-S709 PolarHBondContact O-N 3.24Å; G705-S709 PolarHBondContact O-OG 3.29Å
706	V	95.9	Very high	96.1	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.012	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-50.2	-178.7	175.9	0	0	0	0	111.6	L479 E513 L767	L479-V706 HydrophobicContact CB-CG1 3.88Å; L479-V706 HydrophobicContact CB-CG2 4.38Å; L479-V706 HydrophobicContact CD1-CG1 4.35Å; E513-V706 PolarHBondContact OE2-N 2.86Å; V706-L767 HydrophobicContact CG1-CD1 4.32Å; V706-L767 HydrophobicContact CG1-CD2 4Å; V706-L767 HydrophobicContact CG2-CD2 4.31Å; V706-L767 WeakPolarHBondContact O-CD1 3.43Å
707	C	96.2	Very high	96.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-23.6	-176.3	-70.8	0	0	0	0	113.1	E513 I710 S726	E513-C707 HydrophobicContact CG-CB 4.42Å; E513-C707 PolarHBondContact OE2-N 3.16Å; E513-C707 VanDerWaalsContact OE2-N 3.13Å; C707-I710 WeakPolarHBondContact O-CG1 3.46Å; C707-S726 WeakPolarHBondContact CB-O 3.29Å
708	A	96.8	Very high	96.2	Very high	2 Å²	2	15.9 Å²	15.9	2%	0.017	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-32.2	176.6	0	0	0	0	0	111.7	A512 L704 G705 I710 I711	A512-A708 HydrophobicContact CB-CB 4.3Å; L704-A708 HydrophobicContact CB-CB 4.21Å; L704-A708 HydrophobicContact CD2-CB 4.2Å; G705-A708 PolarHBondContact O-N 2.91Å; A708-I710 PolarHBondContact O-N 3.18Å; A708-I711 WeakPolarHBondContact O-CB 3.43Å; A708-I711 WeakPolarHBondContact O-CG1 3.37Å; A708-I711 PolarHBondContact O-N 2.91Å; A708-I711 VanDerWaalsContact O-N 3.15Å
709	S	97	Very high	96.2	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.007	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-14.3	-179.1	-61.8	0	0	0	0	114.4	L528 L704 G705 T761	L528-S709 WeakPolarHBondContact CD1-OG 3.44Å; L704-S709 WeakPolarHBondContact CB-OG 3.44Å; G705-S709 VanDerWaalsContact O-CB 3.28Å; G705-S709 WeakPolarHBondContact O-CB 3.45Å; G705-S709 PolarHBondContact O-N 3.24Å; G705-S709 PolarHBondContact O-OG 3.29Å; S709-T761 WeakPolarHBondContact O-CG2 3.06Å; S709-T761 PolarHBondContact O-OG1 3.31Å
710	I	96.5	Very high	96.3	Very high	3 Å²	3	22 Å²	22	2%	0.015	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.5	175.9	61	161.4	0	0	0	113.6	C707 A708 M764 L767 F769 R938	C707-I710 WeakPolarHBondContact O-CG1 3.46Å; A708-I710 PolarHBondContact O-N 3.18Å; I710-M764 HydrophobicContact CB-CE 3.83Å; I710-M764 HydrophobicContact CG2-CE 4.24Å; I710-M764 HydrophobicContact CG2-CG 4.32Å; I710-M764 WeakPolarHBondContact O-CE 3.07Å; I710-L767 HydrophobicContact CG2-CD1 3.96Å; I710-F769 HydrophobicContact CD1-CE2 4.26Å; I710-F769 HydrophobicContact CD1-CZ 4.49Å; I710-F769 HydrophobicContact CG2-CD2 4.08Å; I710-F769 HydrophobicContact CG2-CE2 4.41Å; I710-F769 HydrophobicContact CG2-CG 4.2Å; I710-R938 WeakPolarHBondContact O-CD 3.31Å; I710-R938 PolarHBondContact O-NH1 3.47Å
711	I	97.6	Very high	96.3	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.126	C	C	.	.	S	Bend	trans	-80.2	123.8	177.7	-56.3	177.3	0	0	0	107.8	A708 P714 N722 Q725 R938	A708-I711 WeakPolarHBondContact O-CB 3.43Å; A708-I711 WeakPolarHBondContact O-CG1 3.37Å; A708-I711 PolarHBondContact O-N 2.91Å; A708-I711 VanDerWaalsContact O-N 3.15Å; I711-P714 HydrophobicContact CB-CB 4.18Å; I711-P714 HydrophobicContact CG2-CB 3.92Å; I711-P714 WeakPolarHBondContact O-CD 3.38Å; I711-N722 HydrophobicContact CD1-CB 4.26Å; I711-Q725 HydrophobicContact CD1-CB 3.77Å; I711-Q725 HydrophobicContact CD1-CG 3.89Å; I711-Q725 HydrophobicContact CG1-CB 4.24Å; I711-Q725 HydrophobicContact CG1-CG 3.79Å; I711-R938 WeakPolarHBondContact CG2-O 3.46Å
712	P	97.3	Very high	96.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-75.5	141.9	175	33.8	-32.5	0	0	0	109.3	V759 H939 E983 A999	P712-V759 HydrophobicContact CB-CG1 4.21Å; P712-H939 WeakPolarHBondContact CG-NE2 3.1Å; P712-H939 PolarHBondContact O-CE1 2.6Å; P712-E983 HydrophobicContact CG-CB 4.22Å; P712-E983 HydrophobicContact CG-CG 3.95Å; P712-A999 HydrophobicContact CB-CB 3.57Å
713	F	96.9	Very high	96.4	Very high	7 Å²	7	25.1 Å²	25.1	3%	0.031	14%	0.136	C	C	.	.	S	Bend	trans	44.8	53.5	178.9	-51.6	-71.4	0	0	0	114.1	D715 H716 N717 V759 I982 A999 V1006	F713-D715 VanDerWaalsContact C-OD1 3.22Å; F713-D715 WeakPolarHBondContact CA-OD1 3.48Å; F713-D715 PolarHBondContact O-N 3.26Å; F713-H716 HydrophobicContact CB-CB 4.28Å; F713-H716 PolarHBondContact O-N 3.03Å; F713-H716 VanDerWaalsContact O-N 3.14Å; F713-N717 PolarHBondContact O-ND2 3.4Å; F713-V759 HydrophobicContact CE2-CG1 4.01Å; F713-I982 HydrophobicContact CD1-CG2 4.43Å; F713-I982 HydrophobicContact CD2-CB 4.09Å; F713-I982 HydrophobicContact CD2-CG2 3.68Å; F713-I982 HydrophobicContact CE1-CG2 4.3Å; F713-I982 HydrophobicContact CE2-CB 4.33Å; F713-I982 HydrophobicContact CE2-CG2 3.52Å; F713-I982 HydrophobicContact CG-CG2 4.15Å; F713-I982 HydrophobicContact CZ-CG2 3.86Å; F713-A999 HydrophobicContact CD1-CB 4.26Å; F713-A999 HydrophobicContact CD2-CB 3.76Å; F713-A999 HydrophobicContact CE1-CB 3.95Å; F713-A999 HydrophobicContact CE2-CB 3.4Å; F713-A999 VanDerWaalsContact CE2-CB 3.4Å; F713-A999 HydrophobicContact CG-CB 4.17Å; F713-A999 HydrophobicContact CZ-CB 3.51Å; F713-A999 PolarHBondContact N-O 3.28Å; F713-A999 VanDerWaalsContact N-O 3.16Å; F713-V1006 HydrophobicContact CE1-CG1 4.12Å
714	P	96.7	Very high	96.4	Very high	11 Å²	11	28.7 Å²	28.7	7%	0.071	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-68.4	-24.3	-174.4	28.7	-33.1	0	0	0	113.2	L704 I711 H716 N717 N722 P1001	L704-P714 HydrophobicContact CD1-CG 4.07Å; I711-P714 HydrophobicContact CB-CB 4.18Å; I711-P714 HydrophobicContact CG2-CB 3.92Å; I711-P714 WeakPolarHBondContact O-CD 3.38Å; P714-H716 PolarHBondContact O-N 2.64Å; P714-N717 PolarHBondContact O-N 3.02Å; P714-N722 PolarHBondContact O-ND2 2.66Å; P714-P1001 HydrophobicContact CG-CB 3.79Å; P714-P1001 HydrophobicContact CG-CG 3.48Å; P714-P1001 VanDerWaalsContact CG-CG 3.48Å
715	D	96	Very high	96.4	Very high	63 Å²	63	27.8 Å²	27.8	34%	0.337	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-66.3	-20	172.5	53.9	-13.3	0	0	0	113.6	F713 F1002	F713-D715 VanDerWaalsContact C-OD1 3.22Å; F713-D715 WeakPolarHBondContact CA-OD1 3.48Å; F713-D715 PolarHBondContact O-N 3.26Å; D715-F1002 HydrophobicContact CB-CD1 4.23Å; D715-F1002 HydrophobicContact CB-CE1 3.89Å; D715-F1002 HydrophobicContact CB-CZ 4.42Å; D715-F1002 PolarHBondContact OD2-N 2.99Å
716	H	96.4	Very high	96.4	Very high	90 Å²	90	27.8 Å²	27.8	42%	0.417	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-95.4	7.2	178.1	-66.7	76	0	0	0	113.8	F713 P714 I982	F713-H716 HydrophobicContact CB-CB 4.28Å; F713-H716 PolarHBondContact O-N 3.03Å; F713-H716 VanDerWaalsContact O-N 3.14Å; P714-H716 PolarHBondContact O-N 2.64Å; H716-I982 HydrophobicContact CB-CD1 4.06Å
717	N	95.7	Very high	96.3	Very high	16 Å²	16	28.7 Å²	28.7	9%	0.086	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-108	152.6	178.3	-61.4	-45.1	0	0	0	111.5	F713 P714 S719 N722 H939 G979	F713-N717 PolarHBondContact O-ND2 3.4Å; P714-N717 PolarHBondContact O-N 3.02Å; N717-S719 PolarHBondContact O-N 2.85Å; N717-N722 WeakPolarHBondContact CB-OD1 3.46Å; N717-N722 PolarHBondContact ND2-OD1 3.45Å; N717-N722 VanDerWaalsContact ND2-OD1 3.12Å; N717-H939 PolarHBondContact ND2-ND1 3.48Å; N717-H939 PolarHBondContact OD1-ND1 2.92Å; N717-H939 VanDerWaalsContact OD1-ND1 3.1Å; N717-G979 WeakPolarHBondContact OD1-CA 3.42Å; N717-G979 PolarHBondContact OD1-N 3.4Å
718	Q	96.9	Very high	96.2	Very high	83 Å²	83	29.3 Å²	29.3	39%	0.388	16%	0.155	S	C	.	.			trans	-62.4	128	164	-158	-168.6	25.1	0	0	110.4	P720 R721 M976	Q718-P720 VanDerWaalsContact C-CD 3.42Å; Q718-P720 VanDerWaalsContact O-N 3.12Å; Q718-R721 HydrophobicContact CB-CG 4.44Å; Q718-R721 VanDerWaalsContact O-CB 3.29Å; Q718-R721 WeakPolarHBondContact O-CB 3.45Å; Q718-R721 PolarHBondContact O-N 3.45Å; Q718-M976 HydrophobicContact CB-CB 4.37Å
719	S	94.8	Very high	96	Very high	81 Å²	81	29.4 Å²	29.4	57%	0.566	16%	0.156	S	C	*	.	H	α-helix	trans	-45.3	-45.6	-171.9	175.5	0	0	0	0	116.2	N717 R721 N722 T723	N717-S719 PolarHBondContact O-N 2.85Å; S719-R721 PolarHBondContact O-N 3.09Å; S719-N722 WeakPolarHBondContact O-CB 3.5Å; S719-N722 PolarHBondContact O-N 3.28Å; S719-T723 PolarHBondContact O-N 3.13Å
720	P	95.8	Very high	95.9	Very high	54 Å²	54	30.6 Å²	30.6	35%	0.351	16%	0.161	S	C	.	.	H	α-helix	trans	-58.1	-27.7	179.5	-25.3	35.9	0	0	0	114.1	Q718 T723 Y724	Q718-P720 VanDerWaalsContact C-CD 3.42Å; Q718-P720 VanDerWaalsContact O-N 3.12Å; P720-T723 WeakPolarHBondContact O-CB 3.4Å; P720-T723 PolarHBondContact O-N 3.36Å; P720-Y724 HydrophobicContact CB-CE2 4.41Å; P720-Y724 WeakPolarHBondContact O-CD1 2.98Å; P720-Y724 WeakPolarHBondContact O-CD2 3.36Å; P720-Y724 PolarHBondContact O-N 2.94Å
721	R	95.9	Very high	95.8	Very high	44 Å²	44	33.1 Å²	33.1	17%	0.166	17%	0.173	C	C	.	.	H	α-helix	trans	-70.4	-35.7	179.2	-60.6	-68.8	166.9	-157.9	-8.5	111.9	Q718 S719 T723 Y724 Q725 T977	Q718-R721 HydrophobicContact CB-CG 4.44Å; Q718-R721 VanDerWaalsContact O-CB 3.29Å; Q718-R721 WeakPolarHBondContact O-CB 3.45Å; Q718-R721 PolarHBondContact O-N 3.45Å; S719-R721 PolarHBondContact O-N 3.09Å; R721-T723 VanDerWaalsContact C-N 3.31Å; R721-Y724 PolarHBondContact O-N 3.28Å; R721-Q725 PolarHBondContact O-N 3.49Å; R721-T977 HydrophobicContact CB-CG2 4.12Å; R721-T977 HydrophobicContact CG-CG2 3.68Å
722	N	96.8	Very high	95.6	Very high	17 Å²	17	33 Å²	33	9%	0.091	17%	0.173	C	C	.	.	H	α-helix	trans	-64.6	-39.3	173.2	-64.1	-25.7	0	0	0	110.7	A512 I711 P714 N717 S719 Q725 S726	A512-N722 HydrophobicContact CB-CB 4.02Å; I711-N722 HydrophobicContact CD1-CB 4.26Å; P714-N722 PolarHBondContact O-ND2 2.66Å; N717-N722 WeakPolarHBondContact CB-OD1 3.46Å; N717-N722 PolarHBondContact ND2-OD1 3.45Å; N717-N722 VanDerWaalsContact ND2-OD1 3.12Å; S719-N722 WeakPolarHBondContact O-CB 3.5Å; S719-N722 PolarHBondContact O-N 3.28Å; N722-Q725 PolarHBondContact O-N 2.98Å; N722-S726 WeakPolarHBondContact O-CB 3.42Å; N722-S726 PolarHBondContact O-N 3.42Å; N722-S726 PolarHBondContact O-OG 3.42Å
723	T	96.6	Very high	95.5	Very high	25 Å²	25	33 Å²	33	15%	0.153	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-47.8	174.1	-51.8	0	0	0	0	111.9	A512 T514 S719 P720 R721 Q725 S726 A727	A512-T723 VanDerWaalsContact O-CA 3.25Å; A512-T723 WeakPolarHBondContact O-CA 3.21Å; A512-T723 WeakPolarHBondContact O-CG2 3.36Å; A512-T723 PolarHBondContact O-OG1 3.02Å; T514-T723 HydrophobicContact CG2-CG2 3.75Å; S719-T723 PolarHBondContact O-N 3.13Å; P720-T723 WeakPolarHBondContact O-CB 3.4Å; P720-T723 PolarHBondContact O-N 3.36Å; R721-T723 VanDerWaalsContact C-N 3.31Å; T723-Q725 PolarHBondContact O-N 2.95Å; T723-S726 PolarHBondContact O-N 2.82Å; T723-A727 PolarHBondContact O-N 2.59Å; T723-A727 VanDerWaalsContact O-N 3.12Å
724	Y	95.9	Very high	95.4	Very high	84 Å²	84	32.7 Å²	32.7	33%	0.329	17%	0.171	S	C	.	.	H	α-helix	trans	-61.4	-44.7	179.2	-60.8	-23.7	0	0	0	111.9	E516 P720 R721 S726 A727 M728	E516-Y724 HydrophobicContact CG-CD1 4.09Å; E516-Y724 HydrophobicContact CG-CE1 4.16Å; E516-Y724 WeakPolarHBondContact OE1-CD1 3.47Å; P720-Y724 HydrophobicContact CB-CE2 4.41Å; P720-Y724 WeakPolarHBondContact O-CD1 2.98Å; P720-Y724 WeakPolarHBondContact O-CD2 3.36Å; P720-Y724 PolarHBondContact O-N 2.94Å; R721-Y724 PolarHBondContact O-N 3.28Å; Y724-S726 VanDerWaalsContact C-N 3.31Å; Y724-S726 PolarHBondContact O-N 2.91Å; Y724-A727 PolarHBondContact O-N 2.74Å; Y724-M728 WeakPolarHBondContact O-CB 3.32Å; Y724-M728 VanDerWaalsContact O-CG 3.3Å; Y724-M728 WeakPolarHBondContact O-CG 3.47Å; Y724-M728 PolarHBondContact O-N 3.42Å
725	Q	96.9	Very high	95.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-41.6	176.8	-179.4	59.6	19.9	0	0	111.8	I711 R721 N722 T723 A727 M728 G729 S937 R938	I711-Q725 HydrophobicContact CD1-CB 3.77Å; I711-Q725 HydrophobicContact CD1-CG 3.89Å; I711-Q725 HydrophobicContact CG1-CB 4.24Å; I711-Q725 HydrophobicContact CG1-CG 3.79Å; R721-Q725 PolarHBondContact O-N 3.49Å; N722-Q725 PolarHBondContact O-N 2.98Å; T723-Q725 PolarHBondContact O-N 2.95Å; Q725-A727 PolarHBondContact O-N 2.96Å; Q725-M728 PolarHBondContact O-N 2.92Å; Q725-M728 VanDerWaalsContact O-N 3.14Å; Q725-G729 PolarHBondContact O-N 2.78Å; Q725-S937 PolarHBondContact OE1-O 3.15Å; Q725-R938 WeakPolarHBondContact CG-O 3.49Å
726	S	95.3	Very high	95.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.9	-33.3	-179.5	-59.4	0	0	0	0	112	C707 N722 T723 Y724 K730	C707-S726 WeakPolarHBondContact CB-O 3.29Å; N722-S726 WeakPolarHBondContact O-CB 3.42Å; N722-S726 PolarHBondContact O-N 3.42Å; N722-S726 PolarHBondContact O-OG 3.42Å; T723-S726 PolarHBondContact O-N 2.82Å; Y724-S726 VanDerWaalsContact C-N 3.31Å; Y724-S726 PolarHBondContact O-N 2.91Å; S726-K730 VanDerWaalsContact O-CE 3.26Å; S726-K730 WeakPolarHBondContact O-CE 3.42Å
727	A	93.6	Very high	95.4	Very high	20 Å²	20	26.4 Å²	26.4	17%	0.165	14%	0.14	C	C	.	.	H	α-helix	trans	-76.1	-43.2	172.5	0	0	0	0	0	112.9	T723 Y724 Q725 K730	T723-A727 PolarHBondContact O-N 2.59Å; T723-A727 VanDerWaalsContact O-N 3.12Å; Y724-A727 PolarHBondContact O-N 2.74Å; Q725-A727 PolarHBondContact O-N 2.96Å; A727-K730 PolarHBondContact O-N 2.75Å
728	M	94.2	Very high	95.4	Very high	14 Å²	14	28.6 Å²	28.6	7%	0.069	15%	0.154	C	C	.	.	H	α-helix	trans	-72.4	-30.7	-178.1	-70.8	-166.5	-69.6	0	0	113.6	Y724 Q725 K730 Q731 A732 A936 G940 K942 L1051	Y724-M728 WeakPolarHBondContact O-CB 3.32Å; Y724-M728 VanDerWaalsContact O-CG 3.3Å; Y724-M728 WeakPolarHBondContact O-CG 3.47Å; Y724-M728 PolarHBondContact O-N 3.42Å; Q725-M728 PolarHBondContact O-N 2.92Å; Q725-M728 VanDerWaalsContact O-N 3.14Å; M728-K730 PolarHBondContact O-N 3.27Å; M728-Q731 CarbonylContact O-C 3.59Å; M728-Q731 VanDerWaalsContact O-CA 3.32Å; M728-Q731 WeakPolarHBondContact O-CA 3.47Å; M728-Q731 VanDerWaalsContact O-CB 3.3Å; M728-Q731 WeakPolarHBondContact O-CB 2.96Å; M728-Q731 PolarHBondContact O-N 2.93Å; M728-A732 PolarHBondContact O-N 3Å; M728-A936 HydrophobicContact CE-CB 4.38Å; M728-A936 HydrophobicContact SD-CB 4.29Å; M728-G940 VanDerWaalsContact CE-CA 3.42Å; M728-K942 HydrophobicContact CE-CB 4.31Å; M728-K942 HydrophobicContact SD-CB 3.82Å; M728-K942 HydrophobicContact SD-CD 3.98Å; M728-K942 HydrophobicContact SD-CG 4.21Å; M728-L1051 HydrophobicContact SD-CD1 4.33Å
729	G	93.4	Very high	95.4	Very high	3 Å²	3	25 Å²	25	3%	0.031	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-59.6	-27.3	174.9	0	0	0	0	0	112.6	Q725 Q731 A732	Q725-G729 PolarHBondContact O-N 2.78Å; G729-Q731 PolarHBondContact O-N 2.99Å; G729-A732 PolarHBondContact O-N 3.18Å
730	K	94.5	Very high	95.4	Very high	27 Å²	27	23.2 Å²	23.2	12%	0.117	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-73.6	-12.8	172.6	-52.7	178.8	-166.3	-166.9	0	113.1	L473 S480 E513 S726 A727 M728	L473-K730 VanDerWaalsContact CD2-O 3.23Å; L473-K730 WeakPolarHBondContact CD2-O 3.46Å; S480-K730 WeakPolarHBondContact OG-CE 3.47Å; S480-K730 PolarHBondContact OG-NZ 3.41Å; E513-K730 WeakPolarHBondContact OE1-CE 3.1Å; E513-K730 IonicContact OE1-NZ 2.67Å; E513-K730 PolarHBondContact OE1-NZ 2.73Å; S726-K730 VanDerWaalsContact O-CE 3.26Å; S726-K730 WeakPolarHBondContact O-CE 3.42Å; A727-K730 PolarHBondContact O-N 2.75Å; M728-K730 PolarHBondContact O-N 3.27Å
731	Q	94.6	Very high	95.4	Very high	55 Å²	55	25.6 Å²	25.6	26%	0.257	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-105.7	-4.8	179.6	-55.6	-176.2	9.6	0	0	113.2	L473 M728 G729 L1051 K1052	L473-Q731 VanDerWaalsContact CD2-C 3.46Å; L473-Q731 VanDerWaalsContact CD2-CA 3.4Å; L473-Q731 WeakPolarHBondContact CD2-O 3.31Å; M728-Q731 CarbonylContact O-C 3.59Å; M728-Q731 VanDerWaalsContact O-CA 3.32Å; M728-Q731 WeakPolarHBondContact O-CA 3.47Å; M728-Q731 VanDerWaalsContact O-CB 3.3Å; M728-Q731 WeakPolarHBondContact O-CB 2.96Å; M728-Q731 PolarHBondContact O-N 2.93Å; G729-Q731 PolarHBondContact O-N 2.99Å; Q731-L1051 HydrophobicContact CB-CD2 4.37Å; Q731-L1051 WeakPolarHBondContact O-CA 3.32Å; Q731-K1052 HydrophobicContact CB-CG 4.42Å; Q731-K1052 PolarHBondContact O-N 3.3Å
732	A	94.6	Very high	95.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-62.8	161.9	177.1	0	0	0	0	0	111.2	L473 T474 M728 G729 A774 Q1049 R1050	L473-A732 WeakPolarHBondContact CD2-O 3.38Å; T474-A732 HydrophobicContact CG2-CB 4.25Å; T474-A732 WeakPolarHBondContact CG2-O 3.39Å; M728-A732 PolarHBondContact O-N 3Å; G729-A732 PolarHBondContact O-N 3.18Å; A732-A774 HydrophobicContact CB-CB 4.01Å; A732-Q1049 HydrophobicContact CB-CB 4.12Å; A732-Q1049 HydrophobicContact CB-CG 4.38Å; A732-R1050 CarbonylContact C-O 3.39Å; A732-R1050 WeakPolarHBondContact CA-O 3.47Å
733	M	94.1	Very high	95.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.			trans	-107.9	137.3	174.4	-66.8	179.7	160.5	0	0	109.6	H749 A774 R1050 K1052 M1054	M733-H749 HydrophobicContact CE-CB 4.04Å; M733-H749 VanDerWaalsContact CE-ND1 3.34Å; M733-H749 WeakPolarHBondContact CE-ND1 3.39Å; M733-H749 HydrophobicContact CG-CB 4.16Å; M733-H749 HydrophobicContact SD-CB 4.48Å; M733-A774 CarbonylContact O-C 3.59Å; M733-A774 VanDerWaalsContact O-CA 3.3Å; M733-A774 WeakPolarHBondContact O-CA 3.4Å; M733-A774 VanDerWaalsContact O-O 3.13Å; M733-R1050 WeakPolarHBondContact CG-O 3.31Å; M733-R1050 PolarHBondContact N-O 3.21Å; M733-R1050 HydrophobicContact SD-CB 4.3Å; M733-R1050 HydrophobicContact SD-CG 3.79Å; M733-K1052 VanDerWaalsContact CE-CA 3.49Å; M733-K1052 HydrophobicContact CE-CB 4.22Å; M733-M1054 HydrophobicContact CE-CE 3.13Å; M733-M1054 HydrophobicContact SD-CE 4.16Å
734	G	93.9	Very high	94.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-167.3	-170.1	178.2	0	0	0	0	0	110.5	Y736 P773	G734-Y736 PolarHBondContact O-N 3.39Å; G734-P773 WeakPolarHBondContact CA-O 3.35Å
735	V	96.9	Very high	94.6	Very high	26 Å²	26	21.9 Å²	21.9	16%	0.158	12%	0.115	C	C	.	.			trans	-80.5	113	166.8	-178.3	0	0	0	0	106.8	I737 F740 V750 P754 L772	V735-I737 VanDerWaalsContact CG1-O 3.27Å; V735-I737 WeakPolarHBondContact CG1-O 3.31Å; V735-F740 HydrophobicContact CG1-CD1 4.31Å; V735-F740 HydrophobicContact CG1-CE1 4.39Å; V735-V750 HydrophobicContact CG2-CG1 3.94Å; V735-P754 HydrophobicContact CG2-CG 3.69Å; V735-L772 HydrophobicContact CB-CD2 3.98Å; V735-L772 HydrophobicContact CG1-CD2 3.67Å
736	Y	96	Very high	94.3	Very high	3 Å²	3	26 Å²	26	1%	0.012	14%	0.14	C	C	.	.			trans	-84.4	-24.3	-176.6	66.7	-86	0	0	0	113.1	R472 G734 F740 D745 A748 V750	R472-Y736 HydrophobicContact CB-CD2 4.03Å; R472-Y736 HydrophobicContact CB-CE2 4.35Å; G734-Y736 PolarHBondContact O-N 3.39Å; Y736-F740 HydrophobicContact CE1-CB 3.73Å; Y736-D745 PolarHBondContact OH-OD2 3.08Å; Y736-A748 HydrophobicContact CE1-CB 3.74Å; Y736-V750 HydrophobicContact CD1-CG2 4.12Å; Y736-V750 HydrophobicContact CE1-CG2 3.9Å
737	I	96.8	Very high	94.1	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	16%	0.164	C	C	.	.			trans	-161.1	155	176.6	-157.1	68.8	0	0	0	108.3	C177 D180 V735 N739 F740	C177-I737 HydrophobicContact CB-CD1 3.53Å; C177-I737 HydrophobicContact CB-CG1 3.43Å; C177-I737 VanDerWaalsContact CB-CG1 3.43Å; C177-I737 WeakPolarHBondContact SG-CD1 2.95Å; D180-I737 HydrophobicContact CB-CD1 4.07Å; V735-I737 VanDerWaalsContact CG1-O 3.27Å; V735-I737 WeakPolarHBondContact CG1-O 3.31Å; I737-N739 WeakPolarHBondContact CG1-OD1 3.36Å; I737-N739 VanDerWaalsContact CG2-OD1 3.31Å; I737-N739 WeakPolarHBondContact CG2-OD1 3.46Å; I737-F740 HydrophobicContact CG2-CB 4Å; I737-F740 VanDerWaalsContact O-CD1 3.29Å; I737-F740 WeakPolarHBondContact O-CD1 3.48Å
738	T	96.5	Very high	94.2	Very high	62 Å²	62	29.9 Å²	29.9	38%	0.38	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-38.3	-176.7	58.4	0	0	0	0	113	C177 L179 F740 L772	C177-T738 PolarHBondContact SG-OG1 3.01Å; L179-T738 HydrophobicContact CD1-CG2 4.49Å; T738-F740 WeakPolarHBondContact O-CD1 3.46Å; T738-F740 PolarHBondContact O-N 2.8Å; T738-L772 HydrophobicContact CG2-CD2 4.17Å
739	N	96.1	Very high	94.2	Very high	9 Å²	9	29.9 Å²	29.9	5%	0.048	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	24	-178.1	66.4	-15.8	0	0	0	114.1	N175 C177 I737 H741 V742 R743	N175-N739 PolarHBondContact O-ND2 2.93Å; C177-N739 PolarHBondContact N-ND2 3.12Å; I737-N739 WeakPolarHBondContact CG1-OD1 3.36Å; I737-N739 VanDerWaalsContact CG2-OD1 3.31Å; I737-N739 WeakPolarHBondContact CG2-OD1 3.46Å; N739-H741 PolarHBondContact O-N 2.94Å; N739-H741 VanDerWaalsContact O-N 3.08Å; N739-V742 PolarHBondContact O-N 2.87Å; N739-R743 PolarHBondContact O-N 2.88Å
740	F	95.8	Very high	94.4	Very high	43 Å²	43	30 Å²	30	19%	0.189	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-24.2	-178.3	69.7	-92.6	0	0	0	113.4	V735 Y736 I737 T738 V750 Y811 R922	V735-F740 HydrophobicContact CG1-CD1 4.31Å; V735-F740 HydrophobicContact CG1-CE1 4.39Å; Y736-F740 HydrophobicContact CE1-CB 3.73Å; I737-F740 HydrophobicContact CG2-CB 4Å; I737-F740 VanDerWaalsContact O-CD1 3.29Å; I737-F740 WeakPolarHBondContact O-CD1 3.48Å; T738-F740 WeakPolarHBondContact O-CD1 3.46Å; T738-F740 PolarHBondContact O-N 2.8Å; F740-V750 HydrophobicContact CD2-CG2 3.94Å; F740-V750 HydrophobicContact CE1-CG1 4.28Å; F740-V750 HydrophobicContact CE2-CG1 4.36Å; F740-V750 HydrophobicContact CE2-CG2 4.19Å; F740-V750 HydrophobicContact CG-CG2 4.14Å; F740-V750 HydrophobicContact CZ-CG1 4.07Å; F740-Y811 HydrophobicContact CD2-CE2 4.31Å; F740-Y811 HydrophobicContact CE2-CE2 4.24Å; F740-R922 PolarHBondContact O-NH1 3.05Å
741	H	94.1	Very high	94.5	Very high	104 Å²	104	29 Å²	29	48%	0.481	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-34.3	-179.4	63.3	-82.8	0	0	0	112.9	N739 Q906 R922	N739-H741 PolarHBondContact O-N 2.94Å; N739-H741 VanDerWaalsContact O-N 3.08Å; H741-Q906 PolarHBondContact O-NE2 2.82Å; H741-Q906 VanDerWaalsContact O-NE2 3.12Å; H741-R922 VanDerWaalsContact O-CZ 3.22Å; H741-R922 PolarHBondContact O-NH1 3.08Å; H741-R922 PolarHBondContact O-NH2 3.29Å
742	V	94.4	Very high	94.7	Very high	34 Å²	34	30.5 Å²	30.5	21%	0.206	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-33.3	172.5	-177.4	0	0	0	0	110.5	N175 N739	N175-V742 HydrophobicContact CB-CG1 4.23Å; N175-V742 HydrophobicContact CB-CG2 4.48Å; N739-V742 PolarHBondContact O-N 2.87Å
743	R	93.4	Very high	94.8	Very high	11 Å²	11	37.4 Å²	37.4	4%	0.042	19%	0.185	C	C	.	.			trans	-76.6	126.6	-169.9	-166.1	173.6	161.1	114.4	15.5	113.3	R114 E191 N739 D745 R922	R114-R743 VanDerWaalsContact CD-NH1 3.28Å; R114-R743 VanDerWaalsContact NE-NH1 3.11Å; E191-R743 IonicContact OE1-CZ 3.92Å; E191-R743 IonicContact OE1-NH1 2.77Å; E191-R743 PolarHBondContact OE1-NH1 2.95Å; E191-R743 IonicContact OE1-NH2 3.2Å; E191-R743 PolarHBondContact OE1-NH2 2.92Å; E191-R743 IonicContact OE2-CZ 2.97Å; E191-R743 IonicContact OE2-NH1 3.99Å; E191-R743 IonicContact OE2-NH2 3.55Å; E191-R743 PolarHBondContact OE2-NH2 3.48Å; N739-R743 PolarHBondContact O-N 2.88Å; R743-D745 WeakPolarHBondContact CD-OD2 3.48Å; R743-D745 IonicContact CZ-OD1 2.85Å; R743-D745 IonicContact CZ-OD2 3.66Å; R743-D745 IonicContact NE-OD1 2.61Å; R743-D745 PolarHBondContact NE-OD1 2.97Å; R743-D745 IonicContact NE-OD2 2.84Å; R743-D745 PolarHBondContact NE-OD2 3.16Å; R743-D745 IonicContact NH2-OD1 3.84Å; R743-D745 PolarHBondContact NH2-OD1 2.74Å; R743-D745 IonicContact NH2-OD2 3.02Å; R743-D745 PolarHBondContact O-N 3.37Å; R743-R922 PolarHBondContact O-NH1 3.47Å
744	M	92.3	Very high	95	Very high	17 Å²	17	39.3 Å²	39.3	8%	0.084	20%	0.197	C	C	.	.			trans	-94.9	71.8	179.5	-65.7	-74.6	-157.2	0	0	111.9	L115 Q906 M908 K920 R922	L115-M744 HydrophobicContact CD2-CB 3.84Å; L115-M744 HydrophobicContact CD2-CG 3.65Å; M744-Q906 HydrophobicContact CE-CB 4.16Å; M744-Q906 HydrophobicContact CE-CG 3.44Å; M744-Q906 VanDerWaalsContact CE-CG 3.44Å; M744-Q906 HydrophobicContact SD-CG 3.98Å; M744-Q906 PolarHBondContact SD-NE2 3.12Å; M744-M908 HydrophobicContact CB-SD 4.45Å; M744-M908 HydrophobicContact CE-CB 4.01Å; M744-M908 HydrophobicContact CE-CG 3.83Å; M744-M908 HydrophobicContact CE-SD 4.23Å; M744-M908 HydrophobicContact CG-SD 3.82Å; M744-K920 HydrophobicContact CB-CD 4.18Å; M744-R922 HydrophobicContact SD-CB 3.7Å
745	D	90.1	Very high	95.1	Very high	30 Å²	30	43 Å²	43	16%	0.16	21%	0.214	C	C	.	.			trans	-85.4	149.1	175.6	-71.7	-37.9	0	0	0	112.7	Y736 R743 L747 S813	Y736-D745 PolarHBondContact OH-OD2 3.08Å; R743-D745 WeakPolarHBondContact CD-OD2 3.48Å; R743-D745 IonicContact CZ-OD1 2.85Å; R743-D745 IonicContact CZ-OD2 3.66Å; R743-D745 IonicContact NE-OD1 2.61Å; R743-D745 PolarHBondContact NE-OD1 2.97Å; R743-D745 IonicContact NE-OD2 2.84Å; R743-D745 PolarHBondContact NE-OD2 3.16Å; R743-D745 IonicContact NH2-OD1 3.84Å; R743-D745 PolarHBondContact NH2-OD1 2.74Å; R743-D745 IonicContact NH2-OD2 3.02Å; R743-D745 PolarHBondContact O-N 3.37Å; D745-L747 PolarHBondContact O-N 2.9Å; D745-S813 WeakPolarHBondContact O-CB 3.47Å; D745-S813 PolarHBondContact O-N 3.02Å; D745-S813 PolarHBondContact O-OG 3.49Å
746	T	89.5	Confident	95.1	Very high	86 Å²	86	47.4 Å²	47.4	53%	0.528	23%	0.231	S	C	.	.	S	Bend	trans	-66	-34.4	-179	38.1	0	0	0	0	115	R812 S813	T746-R812 WeakPolarHBondContact O-CA 3.44Å; T746-S813 VanDerWaalsContact CA-OG 3.26Å; T746-S813 WeakPolarHBondContact CA-OG 3.39Å; T746-S813 PolarHBondContact N-OG 3.31Å; T746-S813 PolarHBondContact O-N 2.77Å
747	L	91.4	Very high	95.2	Very high	97 Å²	97	47.4 Å²	47.4	51%	0.508	23%	0.231	S	C	.	.	S	Bend	trans	-144.7	115.1	-178.2	-69.6	175.8	0	0	0	107.1	D745 F810	D745-L747 PolarHBondContact O-N 2.9Å; L747-F810 HydrophobicContact CD2-CE2 3.59Å; L747-F810 HydrophobicContact CD2-CZ 3.44Å; L747-F810 VanDerWaalsContact CD2-CZ 3.44Å
748	A	94.7	Very high	95.2	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.033	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.8	173.8	0	0	0	0	0	110.4	Y736 F810 Y811	Y736-A748 HydrophobicContact CE1-CB 3.74Å; A748-F810 WeakPolarHBondContact O-CA 3.4Å; A748-F810 WeakPolarHBondContact O-CD2 3.44Å; A748-Y811 HydrophobicContact CB-CD2 4.41Å; A748-Y811 PolarHBondContact N-O 3.47Å; A748-Y811 PolarHBondContact O-N 3.26Å
749	H	95.7	Very high	95.3	Very high	14 Å²	14	46.4 Å²	46.4	7%	0.065	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.7	172.3	-68	-81.8	0	0	0	108	L473 M733 V809 F810	L473-H749 HydrophobicContact CD1-CB 4.48Å; M733-H749 HydrophobicContact CE-CB 4.04Å; M733-H749 VanDerWaalsContact CE-ND1 3.34Å; M733-H749 WeakPolarHBondContact CE-ND1 3.39Å; M733-H749 HydrophobicContact CG-CB 4.16Å; M733-H749 HydrophobicContact SD-CB 4.48Å; H749-V809 WeakPolarHBondContact CA-O 3.09Å; H749-F810 AromaticContact CE1-CD2 3.19Å; H749-F810 WeakPolarHBondContact CE1-CD2 3.44Å; H749-F810 AromaticContact CE1-CE2 3.78Å; H749-F810 AromaticContact CE1-CG 3.94Å; H749-F810 AromaticContact ND1-CD2 3.55Å; H749-F810 AromaticContact NE2-CD2 3.62Å; H749-F810 AromaticContact NE2-CE2 3.79Å
750	V	97	Very high	95.3	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.03	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.8	177.3	-176.4	0	0	0	0	108.8	V735 Y736 F740 S808 V809 Y811	V735-V750 HydrophobicContact CG2-CG1 3.94Å; Y736-V750 HydrophobicContact CD1-CG2 4.12Å; Y736-V750 HydrophobicContact CE1-CG2 3.9Å; F740-V750 HydrophobicContact CD2-CG2 3.94Å; F740-V750 HydrophobicContact CE1-CG1 4.28Å; F740-V750 HydrophobicContact CE2-CG1 4.36Å; F740-V750 HydrophobicContact CE2-CG2 4.19Å; F740-V750 HydrophobicContact CG-CG2 4.14Å; F740-V750 HydrophobicContact CZ-CG1 4.07Å; V750-S808 CarbonylContact O-C 3.6Å; V750-S808 VanDerWaalsContact O-CA 3.25Å; V750-S808 WeakPolarHBondContact O-CA 3.4Å; V750-S808 VanDerWaalsContact O-CB 3.3Å; V750-S808 WeakPolarHBondContact O-CB 3.13Å; V750-V809 HydrophobicContact CB-CG1 3.92Å; V750-V809 PolarHBondContact N-O 3.46Å; V750-V809 PolarHBondContact O-N 2.85Å; V750-Y811 HydrophobicContact CG2-CE2 4.41Å
751	L	97.2	Very high	95.3	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.031	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	145.6	178.4	-165.6	69.2	0	0	0	110.2	P754 I776 F806 R807	L751-P754 HydrophobicContact CB-CG 4.19Å; L751-P754 HydrophobicContact CD2-CB 4.5Å; L751-I776 HydrophobicContact CD2-CD1 3.99Å; L751-I776 HydrophobicContact CD2-CG1 3.81Å; L751-F806 HydrophobicContact CD1-CD1 4.31Å; L751-R807 WeakPolarHBondContact CD1-O 3.39Å
752	Y	97.5	Very high	95.3	Very high	88 Å²	88	44.9 Å²	44.9	35%	0.345	22%	0.215	S	C	.	.	S	Bend	trans	-69.7	-46.8	-179.8	-85.7	49.8	0	0	0	112	R807 V809 V926	Y752-R807 WeakPolarHBondContact CB-O 3.25Å; Y752-R807 HydrophobicContact CD1-CB 4.24Å; Y752-R807 HydrophobicContact CD1-CG 3.96Å; Y752-R807 VanDerWaalsContact CD1-O 3.27Å; Y752-R807 WeakPolarHBondContact CD1-O 3.14Å; Y752-R807 HydrophobicContact CD2-CG 4.24Å; Y752-R807 HydrophobicContact CE1-CG 3.98Å; Y752-R807 HydrophobicContact CE2-CG 4.27Å; Y752-R807 HydrophobicContact CG-CB 4.13Å; Y752-R807 HydrophobicContact CG-CG 4.1Å; Y752-R807 PolarHBondContact N-O 3.05Å; Y752-V809 HydrophobicContact CE1-CB 3.94Å; Y752-V809 HydrophobicContact CE1-CG1 4.36Å; Y752-V926 HydrophobicContact CE1-CG1 4.19Å; Y752-V926 WeakPolarHBondContact OH-CG1 3.3Å; Y752-V926 WeakPolarHBondContact OH-CG2 3.34Å
753	Y	97.8	Very high	95.3	Very high	145 Å²	145	43.3 Å²	43.3	57%	0.569	21%	0.206	S	C	*	.	S	Bend	trans	-130.5	73.1	-175.8	-54.2	-66.3	0	0	0	111.3	I776	Y753-I776 WeakPolarHBondContact O-CG1 2.87Å
754	P	97.4	Very high	95.4	Very high	39 Å²	39	42.9 Å²	42.9	25%	0.253	21%	0.205	S	C	.	.			trans	-59.9	144	167.9	-12.6	25.2	0	0	0	111.2	V735 L751 P773	V735-P754 HydrophobicContact CG2-CG 3.69Å; L751-P754 HydrophobicContact CB-CG 4.19Å; L751-P754 HydrophobicContact CD2-CB 4.5Å; P754-P773 HydrophobicContact CB-CG 3.69Å
755	Q	97.3	Very high	95.5	Very high	77 Å²	77	46.4 Å²	46.4	36%	0.36	22%	0.221	S	C	.	.			trans	-127.1	147.3	176	-64.3	-179.7	-10.7	0	0	110.9	P773 G775 I776 N777 Y1047	Q755-P773 WeakPolarHBondContact O-CB 3.36Å; Q755-P773 VanDerWaalsContact O-CG 3.32Å; Q755-P773 WeakPolarHBondContact O-CG 3.48Å; Q755-G775 PolarHBondContact N-O 3.17Å; Q755-G775 VanDerWaalsContact N-O 3.07Å; Q755-I776 HydrophobicContact CG-CG2 4.38Å; Q755-N777 PolarHBondContact OE1-ND2 2.84Å; Q755-N777 VanDerWaalsContact OE1-ND2 3.13Å; Q755-Y1047 VanDerWaalsContact O-CE2 3.25Å; Q755-Y1047 WeakPolarHBondContact O-CE2 3.43Å; Q755-Y1047 PolarHBondContact O-OH 3.48Å
756	K	96.4	Very high	95.7	Very high	119 Å²	119	46.2 Å²	46.2	52%	0.517	22%	0.218	S	C	.	.			trans	-64.2	142.7	165.8	63.6	180	-179.5	176	0	109.6	N777	K756-N777 PolarHBondContact O-ND2 3.02Å
757	P	97.5	Very high	96	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.019	20%	0.195	C	C	.	.			trans	-66.1	135.5	175	27.3	-32.6	0	0	0	110.4	V759 M764 F769 Y1047	P757-V759 VanDerWaalsContact C-N 3.26Å; P757-V759 PolarHBondContact O-N 2.85Å; P757-M764 HydrophobicContact CG-CE 4.07Å; P757-M764 HydrophobicContact CG-SD 3.72Å; P757-F769 HydrophobicContact CG-CD1 4.36Å; P757-F769 HydrophobicContact CG-CE1 4.32Å; P757-Y1047 HydrophobicContact CB-CD1 4.48Å; P757-Y1047 HydrophobicContact CB-CD2 3.99Å; P757-Y1047 HydrophobicContact CB-CE2 4.33Å; P757-Y1047 HydrophobicContact CB-CG 4.03Å
758	L	96.9	Very high	96.2	Very high	40 Å²	40	42.4 Å²	42.4	21%	0.209	19%	0.188	C	C	.	.	S	Bend	trans	-66.3	-31.8	175.4	-72.5	173.4	0	0	0	112.5	N777 A991 G997 P1045	L758-N777 HydrophobicContact CD1-CB 4.14Å; L758-N777 HydrophobicContact CG-CB 4.32Å; L758-N777 PolarHBondContact N-OD1 2.61Å; L758-A991 HydrophobicContact CD1-CB 4.44Å; L758-G997 PolarHBondContact O-N 2.92Å; L758-P1045 HydrophobicContact CD1-CB 3.82Å
759	V	97.6	Very high	96.3	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.018	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	109.7	179.8	-177.9	0	0	0	0	107.5	P712 F713 P757 R938 E983 Q986 G987 G997 A999	P712-V759 HydrophobicContact CB-CG1 4.21Å; F713-V759 HydrophobicContact CE2-CG1 4.01Å; P757-V759 VanDerWaalsContact C-N 3.26Å; P757-V759 PolarHBondContact O-N 2.85Å; V759-R938 PolarHBondContact O-NH1 3.41Å; V759-R938 PolarHBondContact O-NH2 3.12Å; V759-E983 HydrophobicContact CB-CG 4.12Å; V759-E983 HydrophobicContact CG1-CG 4.29Å; V759-E983 HydrophobicContact CG2-CG 4.38Å; V759-Q986 HydrophobicContact CG1-CB 4.3Å; V759-Q986 HydrophobicContact CG1-CG 3.97Å; V759-Q986 HydrophobicContact CG2-CB 3.99Å; V759-Q986 HydrophobicContact CG2-CG 3.84Å; V759-G987 VanDerWaalsContact CG2-CA 3.47Å; V759-G987 VanDerWaalsContact CG2-N 3.35Å; V759-G997 WeakPolarHBondContact CA-O 3.28Å; V759-A999 HydrophobicContact CG1-CB 3.44Å; V759-A999 VanDerWaalsContact CG1-CB 3.44Å
760	T	96.7	Very high	96.2	Very high	30 Å²	30	47.8 Å²	47.8	18%	0.184	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.6	-169.6	-167.3	0	0	0	0	111.4	M764 I996 G997 A999	T760-M764 WeakPolarHBondContact OG1-CG 3.49Å; T760-M764 PolarHBondContact OG1-SD 2.91Å; T760-I996 HydrophobicContact CG2-CG2 3.39Å; T760-G997 PolarHBondContact N-O 2.76Å; T760-A999 PolarHBondContact O-N 3.12Å
761	T	95.8	Very high	96.2	Very high	3 Å²	3	51 Å²	51	2%	0.018	22%	0.221	C	C	.	.			trans	-85.2	153.1	164.9	67	0	0	0	0	108.7	S709 S763 M764	S709-T761 WeakPolarHBondContact O-CG2 3.06Å; S709-T761 PolarHBondContact O-OG1 3.31Å; T761-S763 VanDerWaalsContact C-N 3.26Å; T761-S763 PolarHBondContact O-N 2.84Å; T761-M764 WeakPolarHBondContact O-CB 3.18Å; T761-M764 PolarHBondContact O-N 3.24Å; T761-M764 WeakPolarHBondContact OG1-CG 3.45Å
762	R	94.4	Very high	96.2	Very high	91 Å²	91	51.2 Å²	51.2	34%	0.343	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-62	-34.7	174.3	-69.8	-178	177.6	-154.9	-5.7	112.1	Q23 W27 M764 E765 D998 T1000	Q23-R762 PolarHBondContact O-NH1 3.44Å; W27-R762 VanDerWaalsContact CD1-NH1 3.32Å; W27-R762 HydrophobicContact CD2-CB 3.85Å; W27-R762 HydrophobicContact CD2-CG 4.48Å; W27-R762 HydrophobicContact CE3-CB 3.73Å; W27-R762 HydrophobicContact CH2-CB 3.92Å; W27-R762 HydrophobicContact CZ2-CB 4.04Å; W27-R762 HydrophobicContact CZ3-CB 3.76Å; R762-M764 PolarHBondContact O-N 2.9Å; R762-E765 WeakPolarHBondContact O-CB 3.36Å; R762-E765 PolarHBondContact O-N 3.36Å; R762-D998 IonicContact CZ-OD2 3.27Å; R762-D998 IonicContact NE-OD2 3.17Å; R762-D998 PolarHBondContact NE-OD2 3.35Å; R762-D998 IonicContact NH2-OD2 3.99Å; R762-T1000 PolarHBondContact N-OG1 3.39Å; R762-T1000 VanDerWaalsContact N-OG1 3.09Å
763	S	95.4	Very high	96.1	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.014	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-58	-20.8	176.5	-53.4	0	0	0	0	115	W27 M702 T761 E765 Y766 L767	W27-S763 WeakPolarHBondContact CH2-OG 3.46Å; M702-S763 WeakPolarHBondContact CE-OG 3.5Å; T761-S763 VanDerWaalsContact C-N 3.26Å; T761-S763 PolarHBondContact O-N 2.84Å; S763-E765 PolarHBondContact O-N 2.6Å; S763-Y766 PolarHBondContact O-N 2.89Å; S763-L767 PolarHBondContact O-N 2.88Å
764	M	95.5	Very high	96	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-64.7	-23.4	178.7	-72.6	-152.8	-169.4	0	0	114	I710 P757 T760 T761 R762 L767 R768 F769	I710-M764 HydrophobicContact CB-CE 3.83Å; I710-M764 HydrophobicContact CG2-CE 4.24Å; I710-M764 HydrophobicContact CG2-CG 4.32Å; I710-M764 WeakPolarHBondContact O-CE 3.07Å; P757-M764 HydrophobicContact CG-CE 4.07Å; P757-M764 HydrophobicContact CG-SD 3.72Å; T760-M764 WeakPolarHBondContact OG1-CG 3.49Å; T760-M764 PolarHBondContact OG1-SD 2.91Å; T761-M764 WeakPolarHBondContact O-CB 3.18Å; T761-M764 PolarHBondContact O-N 3.24Å; T761-M764 WeakPolarHBondContact OG1-CG 3.45Å; R762-M764 PolarHBondContact O-N 2.9Å; M764-L767 PolarHBondContact O-N 2.94Å; M764-R768 PolarHBondContact O-N 2.77Å; M764-F769 HydrophobicContact CB-CB 4.23Å; M764-F769 HydrophobicContact CE-CD1 4.32Å; M764-F769 HydrophobicContact CG-CB 4.44Å; M764-F769 PolarHBondContact O-N 2.91Å; M764-F769 VanDerWaalsContact O-N 3.09Å; M764-F769 HydrophobicContact SD-CB 4.19Å; M764-F769 HydrophobicContact SD-CD1 3.46Å; M764-F769 WeakPolarHBondContact SD-CD1 3.34Å; M764-F769 HydrophobicContact SD-CE1 4.17Å; M764-F769 HydrophobicContact SD-CG 4.09Å
765	E	94.4	Very high	95.9	Very high	91 Å²	91	38.9 Å²	38.9	43%	0.425	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-51.1	175.9	174.6	141.6	-127.5	0	0	111	R762 S763 L767 R768 R770	R762-E765 WeakPolarHBondContact O-CB 3.36Å; R762-E765 PolarHBondContact O-N 3.36Å; S763-E765 PolarHBondContact O-N 2.6Å; E765-L767 VanDerWaalsContact C-N 3.26Å; E765-L767 PolarHBondContact O-N 2.84Å; E765-R768 WeakPolarHBondContact O-CA 3.28Å; E765-R768 PolarHBondContact O-N 2.99Å; E765-R770 IonicContact OE1-CZ 3.07Å; E765-R770 IonicContact OE1-NE 2.77Å; E765-R770 IonicContact OE1-NH2 2.71Å; E765-R770 PolarHBondContact OE1-NH2 3.11Å
766	Y	94.5	Very high	95.9	Very high	25 Å²	25	35.6 Å²	35.6	10%	0.098	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-30.9	179.5	-46.3	-46.8	0	0	0	112.4	W27 I30 S31 F34 S763 R768	W27-Y766 AromaticContact CE3-CE2 3.88Å; W27-Y766 HydrophobicContact CE3-CE2 3.88Å; W27-Y766 AromaticContact CZ3-CE2 3.98Å; W27-Y766 HydrophobicContact CZ3-CE2 3.98Å; W27-Y766 PolarHBondContact O-OH 3.15Å; I30-Y766 HydrophobicContact CB-CE2 4.4Å; I30-Y766 HydrophobicContact CG2-CD2 4.14Å; I30-Y766 HydrophobicContact CG2-CE2 3.5Å; I30-Y766 VanDerWaalsContact CG2-CE2 3.5Å; S31-Y766 WeakPolarHBondContact CB-OH 3.16Å; S31-Y766 PolarHBondContact N-OH 3.42Å; F34-Y766 HydrophobicContact CB-CD1 4.1Å; F34-Y766 HydrophobicContact CB-CG 4.15Å; F34-Y766 HydrophobicContact CD2-CD1 4.05Å; F34-Y766 AromaticContact CD2-CD2 3.47Å; F34-Y766 HydrophobicContact CD2-CD2 3.47Å; F34-Y766 VanDerWaalsContact CD2-CD2 3.47Å; F34-Y766 HydrophobicContact CD2-CE2 4.03Å; F34-Y766 AromaticContact CD2-CG 3.47Å; F34-Y766 HydrophobicContact CD2-CG 3.47Å; F34-Y766 VanDerWaalsContact CD2-CG 3.47Å; F34-Y766 AromaticContact CE2-CD2 3.78Å; F34-Y766 HydrophobicContact CE2-CD2 3.78Å; F34-Y766 HydrophobicContact CE2-CE2 4.37Å; F34-Y766 HydrophobicContact CE2-CG 4.17Å; F34-Y766 HydrophobicContact CG-CD1 4.39Å; F34-Y766 HydrophobicContact CG-CD2 4.39Å; F34-Y766 AromaticContact CG-CG 3.96Å; F34-Y766 HydrophobicContact CG-CG 3.96Å; S763-Y766 PolarHBondContact O-N 2.89Å; Y766-R768 PolarHBondContact O-N 2.71Å
767	L	94.8	Very high	96	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.037	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-2.8	173.5	-62.2	-177.4	0	0	0	113.6	L39 F475 L479 L528 V706 I710 S763 M764 E765 F769	L39-L767 HydrophobicContact CD1-CD2 3.8Å; L39-L767 HydrophobicContact CD2-CD2 4.17Å; F475-L767 VanDerWaalsContact CE1-O 3.31Å; F475-L767 WeakPolarHBondContact CE1-O 3.13Å; L479-L767 HydrophobicContact CD1-CD2 4.44Å; L528-L767 HydrophobicContact CD2-CD2 3.98Å; V706-L767 HydrophobicContact CG1-CD1 4.32Å; V706-L767 HydrophobicContact CG1-CD2 4Å; V706-L767 HydrophobicContact CG2-CD2 4.31Å; V706-L767 WeakPolarHBondContact O-CD1 3.43Å; I710-L767 HydrophobicContact CG2-CD1 3.96Å; S763-L767 PolarHBondContact O-N 2.88Å; M764-L767 PolarHBondContact O-N 2.94Å; E765-L767 VanDerWaalsContact C-N 3.26Å; E765-L767 PolarHBondContact O-N 2.84Å; L767-F769 HydrophobicContact CB-CB 4.48Å; L767-F769 PolarHBondContact O-N 3.19Å
768	R	96	Very high	96	Very high	96 Å²	96	31.1 Å²	31.1	36%	0.362	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	26.9	-175.1	-54.9	-72.5	176.1	175.4	-3.4	112.9	L179 F475 M764 E765 Y766 R770 E771 L772	L179-R768 HydrophobicContact CD2-CG 4.43Å; F475-R768 HydrophobicContact CE1-CB 4.03Å; M764-R768 PolarHBondContact O-N 2.77Å; E765-R768 WeakPolarHBondContact O-CA 3.28Å; E765-R768 PolarHBondContact O-N 2.99Å; Y766-R768 PolarHBondContact O-N 2.71Å; R768-R770 VanDerWaalsContact C-N 3.3Å; R768-R770 PolarHBondContact O-N 2.75Å; R768-E771 WeakPolarHBondContact CD-OE1 3.23Å; R768-E771 IonicContact CZ-OE1 3.52Å; R768-E771 IonicContact NE-OE1 3.15Å; R768-E771 IonicContact NH1-OE1 2.66Å; R768-E771 PolarHBondContact NH1-OE1 2.88Å; R768-E771 PolarHBondContact O-N 3.34Å; R768-L772 PolarHBondContact O-N 2.87Å
769	F	95.9	Very high	96.1	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.026	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-28	-174	-170	-94.7	0	0	0	112.1	I710 P757 M764 L767 E771 L772 P773 A774 Y1047	I710-F769 HydrophobicContact CD1-CE2 4.26Å; I710-F769 HydrophobicContact CD1-CZ 4.49Å; I710-F769 HydrophobicContact CG2-CD2 4.08Å; I710-F769 HydrophobicContact CG2-CE2 4.41Å; I710-F769 HydrophobicContact CG2-CG 4.2Å; P757-F769 HydrophobicContact CG-CD1 4.36Å; P757-F769 HydrophobicContact CG-CE1 4.32Å; M764-F769 HydrophobicContact CB-CB 4.23Å; M764-F769 HydrophobicContact CE-CD1 4.32Å; M764-F769 HydrophobicContact CG-CB 4.44Å; M764-F769 PolarHBondContact O-N 2.91Å; M764-F769 VanDerWaalsContact O-N 3.09Å; M764-F769 HydrophobicContact SD-CB 4.19Å; M764-F769 HydrophobicContact SD-CD1 3.46Å; M764-F769 WeakPolarHBondContact SD-CD1 3.34Å; M764-F769 HydrophobicContact SD-CE1 4.17Å; M764-F769 HydrophobicContact SD-CG 4.09Å; L767-F769 HydrophobicContact CB-CB 4.48Å; L767-F769 PolarHBondContact O-N 3.19Å; F769-E771 VanDerWaalsContact C-N 3.26Å; F769-E771 PolarHBondContact O-N 2.72Å; F769-L772 CarbonylContact O-C 3.53Å; F769-P773 HydrophobicContact CE1-CB 4.45Å; F769-P773 VanDerWaalsContact O-CA 3.31Å; F769-P773 WeakPolarHBondContact O-CA 3.46Å; F769-A774 HydrophobicContact CE2-CB 4.22Å; F769-A774 HydrophobicContact CZ-CB 4.26Å; F769-Y1047 HydrophobicContact CE1-CE1 4.27Å; F769-Y1047 HydrophobicContact CZ-CE1 4.32Å
770	R	95.1	Very high	96.1	Very high	125 Å²	125	31.6 Å²	31.6	47%	0.472	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-30.3	173.6	67.2	177.6	171.6	97.6	-14.1	112.9	E765 R768	E765-R770 IonicContact OE1-CZ 3.07Å; E765-R770 IonicContact OE1-NE 2.77Å; E765-R770 IonicContact OE1-NH2 2.71Å; E765-R770 PolarHBondContact OE1-NH2 3.11Å; R768-R770 VanDerWaalsContact C-N 3.3Å; R768-R770 PolarHBondContact O-N 2.75Å
771	E	95.9	Very high	96.2	Very high	72 Å²	72	30.2 Å²	30.2	34%	0.336	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-41.6	-179.2	-61.2	171.7	-163.3	0	0	110.8	L179 R768 F769 P773	L179-E771 HydrophobicContact CD1-CB 4.35Å; L179-E771 WeakPolarHBondContact CD1-OE2 3.47Å; L179-E771 WeakPolarHBondContact CD2-OE2 3.18Å; R768-E771 WeakPolarHBondContact CD-OE1 3.23Å; R768-E771 IonicContact CZ-OE1 3.52Å; R768-E771 IonicContact NE-OE1 3.15Å; R768-E771 IonicContact NH1-OE1 2.66Å; R768-E771 PolarHBondContact NH1-OE1 2.88Å; R768-E771 PolarHBondContact O-N 3.34Å; F769-E771 VanDerWaalsContact C-N 3.26Å; F769-E771 PolarHBondContact O-N 2.72Å; E771-P773 VanDerWaalsContact C-CD 3.42Å; E771-P773 WeakPolarHBondContact O-CD 3.48Å
772	L	96.4	Very high	96.3	Very high	11 Å²	11	31 Å²	31	6%	0.058	14%	0.136	C	C	.	.	S	Bend	trans	-121.3	70.8	178.7	-64.8	-178.6	0	0	0	112.5	L179 F475 V735 T738 R768 F769	L179-L772 HydrophobicContact CB-CD1 4.47Å; L179-L772 HydrophobicContact CD1-CD1 3.63Å; L179-L772 HydrophobicContact CD1-CD2 4.46Å; L179-L772 HydrophobicContact CD1-CG 3.78Å; F475-L772 HydrophobicContact CB-CB 4.19Å; F475-L772 HydrophobicContact CB-CD1 4.16Å; F475-L772 HydrophobicContact CD2-CD1 3.84Å; F475-L772 HydrophobicContact CE2-CD1 4.4Å; F475-L772 HydrophobicContact CG-CB 4.47Å; F475-L772 HydrophobicContact CG-CD1 3.93Å; V735-L772 HydrophobicContact CB-CD2 3.98Å; V735-L772 HydrophobicContact CG1-CD2 3.67Å; T738-L772 HydrophobicContact CG2-CD2 4.17Å; R768-L772 PolarHBondContact O-N 2.87Å; F769-L772 CarbonylContact O-C 3.53Å
773	P	96.5	Very high	96.4	Very high	9 Å²	9	27.4 Å²	27.4	6%	0.058	13%	0.125	C	C	.	.			trans	-76.7	159.5	-176.9	27.2	-29.9	0	0	0	113.2	G734 P754 Q755 F769 E771 Y1047	G734-P773 WeakPolarHBondContact CA-O 3.35Å; P754-P773 HydrophobicContact CB-CG 3.69Å; Q755-P773 WeakPolarHBondContact O-CB 3.36Å; Q755-P773 VanDerWaalsContact O-CG 3.32Å; Q755-P773 WeakPolarHBondContact O-CG 3.48Å; F769-P773 HydrophobicContact CE1-CB 4.45Å; F769-P773 VanDerWaalsContact O-CA 3.31Å; F769-P773 WeakPolarHBondContact O-CA 3.46Å; E771-P773 VanDerWaalsContact C-CD 3.42Å; E771-P773 WeakPolarHBondContact O-CD 3.48Å; P773-Y1047 WeakPolarHBondContact CB-OH 3.5Å
774	A	94.6	Very high	96.5	Very high	5 Å²	5	30.8 Å²	30.8	4%	0.041	15%	0.149	C	C	.	.			trans	-120.8	34.6	-175.1	0	0	0	0	0	114.7	T474 A732 M733 F769 Y1047	T474-A774 HydrophobicContact CG2-CB 4.49Å; A732-A774 HydrophobicContact CB-CB 4.01Å; M733-A774 CarbonylContact O-C 3.59Å; M733-A774 VanDerWaalsContact O-CA 3.3Å; M733-A774 WeakPolarHBondContact O-CA 3.4Å; M733-A774 VanDerWaalsContact O-O 3.13Å; F769-A774 HydrophobicContact CE2-CB 4.22Å; F769-A774 HydrophobicContact CZ-CB 4.26Å; A774-Y1047 PolarHBondContact N-OH 2.95Å; A774-Y1047 VanDerWaalsContact N-OH 3.12Å
775	G	95.9	Very high	96.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.			trans	-177.4	-175.5	-172.4	0	0	0	0	0	113.8	Q755 Y1047 Y1048	Q755-G775 PolarHBondContact N-O 3.17Å; Q755-G775 VanDerWaalsContact N-O 3.07Å; G775-Y1047 VanDerWaalsContact C-CZ 3.44Å; G775-Y1047 VanDerWaalsContact CA-OH 3.23Å; G775-Y1047 WeakPolarHBondContact CA-OH 3.5Å; G775-Y1047 PolarHBondContact N-OH 2.77Å; G775-Y1047 WeakPolarHBondContact O-CE2 3.36Å; G775-Y1048 CarbonylContact C-O 3.58Å; G775-Y1048 WeakPolarHBondContact CA-O 2.89Å
776	I	98.2	Very high	96.6	Very high	7 Å²	7	31 Å²	31	4%	0.036	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	137.1	-174.9	-56.7	-176.6	0	0	0	108.9	L751 Y753 Q755 S778 F805 F806 Y1048	L751-I776 HydrophobicContact CD2-CD1 3.99Å; L751-I776 HydrophobicContact CD2-CG1 3.81Å; Y753-I776 WeakPolarHBondContact O-CG1 2.87Å; Q755-I776 HydrophobicContact CG-CG2 4.38Å; I776-S778 PolarHBondContact O-N 2.91Å; I776-S778 PolarHBondContact O-OG 3.11Å; I776-F805 HydrophobicContact CB-CE2 4.42Å; I776-F805 HydrophobicContact CD1-CD2 4.44Å; I776-F805 HydrophobicContact CG2-CD2 4.12Å; I776-F805 HydrophobicContact CG2-CE2 3.9Å; I776-F806 HydrophobicContact CB-CD1 4.41Å; I776-F806 HydrophobicContact CB-CE1 3.8Å; I776-F806 HydrophobicContact CB-CE2 4.35Å; I776-F806 HydrophobicContact CB-CZ 3.74Å; I776-F806 HydrophobicContact CD1-CB 4.49Å; I776-F806 HydrophobicContact CD1-CD1 3.7Å; I776-F806 HydrophobicContact CD1-CE1 3.98Å; I776-F806 HydrophobicContact CD1-CG 4.01Å; I776-F806 HydrophobicContact CD1-CZ 4.5Å; I776-F806 HydrophobicContact CG1-CD1 3.95Å; I776-F806 HydrophobicContact CG1-CE1 3.7Å; I776-F806 HydrophobicContact CG1-CZ 4.18Å; I776-Y1048 PolarHBondContact N-O 3.06Å; I776-Y1048 PolarHBondContact O-N 2.99Å
777	N	98.2	Very high	96.6	Very high	28 Å²	28	31 Å²	31	15%	0.15	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	117.8	169.5	-56.1	-72.6	0	0	0	108.5	Q755 K756 L758	Q755-N777 PolarHBondContact OE1-ND2 2.84Å; Q755-N777 VanDerWaalsContact OE1-ND2 3.13Å; K756-N777 PolarHBondContact O-ND2 3.02Å; L758-N777 HydrophobicContact CD1-CB 4.14Å; L758-N777 HydrophobicContact CG-CB 4.32Å; L758-N777 PolarHBondContact N-OD1 2.61Å
778	S	97.6	Very high	96.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	140.9	-175	-49.4	0	0	0	0	108.8	I776 V780 F805 P1045 T1046	I776-S778 PolarHBondContact O-N 2.91Å; I776-S778 PolarHBondContact O-OG 3.11Å; S778-V780 PolarHBondContact O-N 3.45Å; S778-F805 WeakPolarHBondContact OG-CE2 3.44Å; S778-F805 VanDerWaalsContact OG-CZ 3.23Å; S778-F805 WeakPolarHBondContact OG-CZ 3.27Å; S778-P1045 CarbonylContact O-C 3.55Å; S778-P1045 WeakPolarHBondContact O-CA 3.4Å; S778-T1046 PolarHBondContact N-O 3.11Å; S778-T1046 PolarHBondContact O-N 2.83Å
779	I	98.4	Very high	96.7	Very high	52 Å²	52	31.8 Å²	31.8	27%	0.267	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	110.8	169.6	-58.7	178.8	0	0	0	107.7	I961 P963 D964 I965 I1043	I779-I961 HydrophobicContact CD1-CG2 3.77Å; I779-I961 HydrophobicContact CG2-CG2 4.31Å; I779-P963 HydrophobicContact CG2-CB 4.49Å; I779-D964 PolarHBondContact N-OD2 2.97Å; I779-D964 PolarHBondContact O-N 3.09Å; I779-I965 PolarHBondContact O-N 3.28Å; I779-I965 VanDerWaalsContact O-N 3.16Å; I779-I1043 HydrophobicContact CG2-CD1 3.9Å; I779-I1043 HydrophobicContact CG2-CG1 3.88Å
780	V	97.9	Very high	96.6	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	129	-176.1	179.3	0	0	0	0	109.7	S778 I965 I967 I1043 G1044 Y1048	S778-V780 PolarHBondContact O-N 3.45Å; V780-I965 WeakPolarHBondContact CA-O 3.41Å; V780-I965 HydrophobicContact CG1-CG2 4.33Å; V780-I965 HydrophobicContact CG2-CB 4.26Å; V780-I965 HydrophobicContact CG2-CG2 4.19Å; V780-I967 HydrophobicContact CG1-CD1 4.11Å; V780-I967 HydrophobicContact CG1-CG1 4Å; V780-I1043 CarbonylContact O-C 3.6Å; V780-I1043 VanDerWaalsContact O-CA 3.3Å; V780-I1043 WeakPolarHBondContact O-CA 3.09Å; V780-G1044 PolarHBondContact N-O 2.83Å; V780-G1044 PolarHBondContact O-N 2.86Å; V780-Y1048 HydrophobicContact CG2-CD2 3.97Å; V780-Y1048 HydrophobicContact CG2-CE2 3.57Å
781	A	98.1	Very high	96.4	Very high	1 Å²	1	39 Å²	39	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137	168.9	0	0	0	0	0	110.6	P963 I965 I966 I967 I1041 F1042 I1043	A781-P963 HydrophobicContact CB-CB 3.76Å; A781-P963 HydrophobicContact CB-CG 4.03Å; A781-I965 PolarHBondContact N-O 2.7Å; A781-I966 HydrophobicContact CB-CG1 4.39Å; A781-I966 VanDerWaalsContact O-CA 3.3Å; A781-I966 WeakPolarHBondContact O-CA 3.33Å; A781-I966 WeakPolarHBondContact O-CG2 3.43Å; A781-I967 PolarHBondContact O-N 2.79Å; A781-I1041 HydrophobicContact CB-CG2 4Å; A781-F1042 WeakPolarHBondContact CA-O 3.42Å; A781-I1043 HydrophobicContact CB-CB 4.32Å; A781-I1043 HydrophobicContact CB-CD1 4.36Å; A781-I1043 HydrophobicContact CB-CG1 4.18Å
782	I	97.8	Very high	95.9	Very high	20 Å²	20	38.8 Å²	38.8	10%	0.103	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	96.6	177	-50.9	-171.4	0	0	0	108.4	I967 P969 L981 F1042	I782-I967 WeakPolarHBondContact CA-O 3.33Å; I782-I967 HydrophobicContact CB-CG1 4.33Å; I782-I967 HydrophobicContact CD1-CD1 4.08Å; I782-I967 HydrophobicContact CG1-CD1 3.88Å; I782-I967 HydrophobicContact CG1-CG1 3.81Å; I782-I967 HydrophobicContact CG2-CG1 4.36Å; I782-P969 HydrophobicContact CG2-CB 3.92Å; I782-L981 HydrophobicContact CD1-CD2 3.47Å; I782-L981 VanDerWaalsContact CD1-CD2 3.47Å; I782-F1042 HydrophobicContact CB-CB 4.48Å; I782-F1042 HydrophobicContact CD1-CD1 3.7Å; I782-F1042 HydrophobicContact CD1-CE1 4.19Å; I782-F1042 HydrophobicContact CG1-CD1 4.02Å; I782-F1042 PolarHBondContact N-O 3.14Å
783	A	97.8	Very high	95.9	Very high	14 Å²	14	39.8 Å²	39.8	12%	0.116	21%	0.214	C	C	.	.			trans	-151.4	148.3	-176.5	0	0	0	0	0	111.7	Y785 N789 I966 I967 P969 I1041	A783-Y785 PolarHBondContact O-N 2.91Å; A783-N789 PolarHBondContact O-ND2 2.73Å; A783-I966 HydrophobicContact CB-CG2 4.1Å; A783-I967 PolarHBondContact N-O 2.84Å; A783-I967 VanDerWaalsContact O-O 3.1Å; A783-P969 VanDerWaalsContact C-CD 3.42Å; A783-I1041 HydrophobicContact CB-CD1 3.85Å; A783-I1041 HydrophobicContact CB-CG1 4.44Å; A783-I1041 HydrophobicContact CB-CG2 3.91Å
784	S	97.3	Very high	95.9	Very high	74 Å²	74	39.6 Å²	39.6	52%	0.517	21%	0.212	S	C	.	.			trans	-82.5	107.8	163.5	-175.1	0	0	0	0	108.2
785	Y	96.4	Very high	96.1	Very high	21 Å²	21	39.3 Å²	39.3	8%	0.082	21%	0.211	C	C	.	.			trans	-128.7	121.7	-177.8	-167.5	-111.4	0	0	0	110.1	A783 G787 I795 D953 I966 N1030 F1032	A783-Y785 PolarHBondContact O-N 2.91Å; Y785-G787 PolarHBondContact O-N 2.76Å; Y785-I795 WeakPolarHBondContact O-CD1 3.25Å; Y785-D953 PolarHBondContact OH-O 3.2Å; Y785-I966 HydrophobicContact CD1-CD1 4.24Å; Y785-I966 HydrophobicContact CG-CD1 4.49Å; Y785-N1030 PolarHBondContact OH-OD1 3.11Å; Y785-N1030 VanDerWaalsContact OH-OD1 3.06Å; Y785-F1032 HydrophobicContact CE1-CE2 4.13Å; Y785-F1032 AromaticContact CZ-CE2 3.71Å; Y785-F1032 VanDerWaalsContact OH-CD2 3.23Å; Y785-F1032 WeakPolarHBondContact OH-CD2 3.21Å; Y785-F1032 WeakPolarHBondContact OH-CE2 3.38Å
786	T	95.5	Very high	96.2	Very high	75 Å²	75	39.3 Å²	39.3	46%	0.46	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-9.6	177.7	-38.3	0	0	0	0	117.3	Y788 Y949	T786-Y788 HydrophobicContact CG2-CD2 3.94Å; T786-Y788 HydrophobicContact CG2-CE2 3.97Å; T786-Y949 WeakPolarHBondContact CG2-OH 3.33Å
787	G	94.8	Very high	96.2	Very high	26 Å²	26	39.1 Å²	39.1	27%	0.268	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	-12.9	176.6	0	0	0	0	0	115.6	Y785 N789 Q790	Y785-G787 PolarHBondContact O-N 2.76Å; G787-N789 PolarHBondContact O-N 3.15Å; G787-Q790 WeakPolarHBondContact O-CB 3.4Å; G787-Q790 VanDerWaalsContact O-CG 3.28Å; G787-Q790 WeakPolarHBondContact O-CG 3.16Å; G787-Q790 PolarHBondContact O-N 2.78Å
788	Y	96.6	Very high	96.2	Very high	119 Å²	119	41.7 Å²	41.7	47%	0.467	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.3	-176.7	-70.1	-80.2	0	0	0	115.2	T786 S793 I947	T786-Y788 HydrophobicContact CG2-CD2 3.94Å; T786-Y788 HydrophobicContact CG2-CE2 3.97Å; Y788-S793 VanDerWaalsContact O-CB 3.24Å; Y788-S793 WeakPolarHBondContact O-CB 3.4Å; Y788-I947 HydrophobicContact CD1-CB 4.16Å; Y788-I947 HydrophobicContact CD1-CD1 4.32Å; Y788-I947 HydrophobicContact CD1-CG2 4.38Å; Y788-I947 HydrophobicContact CD2-CB 4.41Å; Y788-I947 HydrophobicContact CD2-CD1 3.96Å; Y788-I947 HydrophobicContact CD2-CG2 3.94Å; Y788-I947 HydrophobicContact CE1-CD1 4.21Å; Y788-I947 HydrophobicContact CE2-CD1 3.82Å; Y788-I947 HydrophobicContact CG-CB 3.94Å; Y788-I947 HydrophobicContact CG-CD1 4.2Å; Y788-I947 HydrophobicContact CG-CG2 3.66Å
789	N	95.8	Very high	96.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	13.4	170.8	61.1	-2.9	0	0	0	113.3	A783 G787 S793 I795 N968	A783-N789 PolarHBondContact O-ND2 2.73Å; G787-N789 PolarHBondContact O-N 3.15Å; N789-S793 CarbonylContact C-O 3.6Å; N789-S793 VanDerWaalsContact CA-O 3.29Å; N789-S793 WeakPolarHBondContact CA-O 3.19Å; N789-S793 WeakPolarHBondContact CB-O 3.49Å; N789-I795 HydrophobicContact CB-CD1 3.85Å; N789-I795 HydrophobicContact CB-CG1 3.89Å; N789-N968 HydrophobicContact CB-CB 4.31Å; N789-N968 WeakPolarHBondContact O-CB 3.46Å
790	Q	93.6	Very high	96.2	Very high	107 Å²	107	40.5 Å²	40.5	50%	0.5	21%	0.214	S	C	.	.			trans	-70.2	158.6	174.3	-69	178.5	-2	0	0	112.7	G787 D792 S793	G787-Q790 WeakPolarHBondContact O-CB 3.4Å; G787-Q790 VanDerWaalsContact O-CG 3.28Å; G787-Q790 WeakPolarHBondContact O-CG 3.16Å; G787-Q790 PolarHBondContact O-N 2.78Å; Q790-D792 PolarHBondContact O-N 3.17Å; Q790-S793 WeakPolarHBondContact O-CB 3.21Å; Q790-S793 PolarHBondContact O-N 3.08Å; Q790-S793 PolarHBondContact O-OG 2.96Å
791	E	90.5	Very high	96.2	Very high	175 Å²	175	40.4 Å²	40.4	82%	0.818	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.7	60.8	175.7	-64.7	-61.5	157.2	0	0	113.6	S793	E791-S793 PolarHBondContact O-N 3.47Å
792	D	86.9	Confident	96.2	Very high	68 Å²	68	44 Å²	44	36%	0.364	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	20	179.3	-59.3	-18.2	0	0	0	115.7	Q790 G943 T944 R975	Q790-D792 PolarHBondContact O-N 3.17Å; D792-G943 WeakPolarHBondContact O-CA 3.27Å; D792-T944 PolarHBondContact O-N 3.28Å; D792-R975 IonicContact OD1-CZ 2.99Å; D792-R975 IonicContact OD1-NH1 3.76Å; D792-R975 PolarHBondContact OD1-NH1 3.36Å; D792-R975 IonicContact OD1-NH2 2.64Å; D792-R975 PolarHBondContact OD1-NH2 3.15Å; D792-R975 IonicContact OD2-CZ 2.8Å; D792-R975 IonicContact OD2-NH1 2.74Å; D792-R975 IonicContact OD2-NH2 3.09Å; D792-R975 PolarHBondContact OD2-NH2 3.38Å
793	S	94.6	Very high	96.1	Very high	32 Å²	32	51.5 Å²	51.5	22%	0.224	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	159.1	169.2	-59.3	0	0	0	0	111.6	Y788 N789 Q790 E791 T944	Y788-S793 VanDerWaalsContact O-CB 3.24Å; Y788-S793 WeakPolarHBondContact O-CB 3.4Å; N789-S793 CarbonylContact C-O 3.6Å; N789-S793 VanDerWaalsContact CA-O 3.29Å; N789-S793 WeakPolarHBondContact CA-O 3.19Å; N789-S793 WeakPolarHBondContact CB-O 3.49Å; Q790-S793 WeakPolarHBondContact O-CB 3.21Å; Q790-S793 PolarHBondContact O-N 3.08Å; Q790-S793 PolarHBondContact O-OG 2.96Å; E791-S793 PolarHBondContact O-N 3.47Å; S793-T944 CarbonylContact C-O 3.52Å; S793-T944 WeakPolarHBondContact CA-O 3.18Å
794	V	97.1	Very high	96.1	Very high	5 Å²	5	51 Å²	51	3%	0.03	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.2	178.5	61.3	0	0	0	0	110.4	T944 C945 G946 I965 I967	V794-T944 WeakPolarHBondContact CG1-O 3.47Å; V794-T944 PolarHBondContact N-O 2.72Å; V794-C945 CarbonylContact O-C 3.58Å; V794-C945 WeakPolarHBondContact O-CA 3.47Å; V794-G946 PolarHBondContact O-N 3.16Å; V794-I965 HydrophobicContact CG2-CB 4.32Å; V794-I965 HydrophobicContact CG2-CG1 4.47Å; V794-I965 HydrophobicContact CG2-CG2 3.32Å; V794-I967 HydrophobicContact CG2-CG2 3.97Å
795	I	98.3	Very high	96.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	135.5	171.9	-64.8	160.2	0	0	0	107.8	Y785 N789 I947 Y949 M954 I965 I966	Y785-I795 WeakPolarHBondContact O-CD1 3.25Å; N789-I795 HydrophobicContact CB-CD1 3.85Å; N789-I795 HydrophobicContact CB-CG1 3.89Å; I795-I947 HydrophobicContact CB-CG2 4.44Å; I795-I947 HydrophobicContact CG1-CG2 3.86Å; I795-I947 HydrophobicContact CG2-CG2 4.08Å; I795-Y949 HydrophobicContact CG2-CD2 3.65Å; I795-Y949 HydrophobicContact CG2-CE2 4.18Å; I795-M954 HydrophobicContact CG2-CE 3.87Å; I795-M954 HydrophobicContact CG2-SD 4.35Å; I795-I965 CarbonylContact O-C 3.42Å; I795-I965 WeakPolarHBondContact O-CA 3.18Å; I795-I966 HydrophobicContact CB-CB 4.24Å; I795-I966 PolarHBondContact N-O 3.35Å; I795-I966 VanDerWaalsContact N-O 3.09Å; I795-I966 PolarHBondContact O-N 2.92Å
796	M	97.9	Very high	96.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	150.9	179.2	-61.6	-174.2	75.2	0	0	112	R798 V801 F805 F806 F935 C945 I947 Q948 Y949 M954 D964 I965	M796-R798 PolarHBondContact O-N 3.2Å; M796-V801 HydrophobicContact CE-CG2 4.4Å; M796-F805 HydrophobicContact CE-CD1 3.78Å; M796-F805 HydrophobicContact CE-CE1 3.48Å; M796-F805 VanDerWaalsContact CE-CE1 3.48Å; M796-F806 HydrophobicContact CE-CD2 4.31Å; M796-F935 HydrophobicContact CE-CE1 4.1Å; M796-F935 HydrophobicContact CE-CE2 4.16Å; M796-F935 HydrophobicContact CE-CZ 3.89Å; M796-F935 HydrophobicContact SD-CD2 4.02Å; M796-F935 HydrophobicContact SD-CE2 3.53Å; M796-F935 VanDerWaalsContact SD-CE2 3.53Å; M796-F935 HydrophobicContact SD-CZ 3.85Å; M796-C945 HydrophobicContact CG-CB 4.45Å; M796-C945 HydrophobicContact SD-CB 3.93Å; M796-I947 PolarHBondContact N-O 2.92Å; M796-I947 VanDerWaalsContact N-O 3.1Å; M796-Q948 HydrophobicContact CB-CG 4.4Å; M796-Q948 VanDerWaalsContact O-CA 3.25Å; M796-Q948 WeakPolarHBondContact O-CA 3.37Å; M796-Y949 PolarHBondContact O-N 3.48Å; M796-Y949 VanDerWaalsContact O-N 3.08Å; M796-M954 VanDerWaalsContact C-CE 3.41Å; M796-M954 WeakPolarHBondContact O-CE 3.41Å; M796-D964 CarbonylContact C-O 3.54Å; M796-D964 WeakPolarHBondContact CA-O 3.5Å; M796-I965 HydrophobicContact CE-CD1 4.44Å; M796-I965 HydrophobicContact CE-CG1 4.44Å; M796-I965 HydrophobicContact CG-CG1 4.29Å
797	N	98.3	Very high	96.3	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.011	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	113.1	174.2	-168.8	-26.2	0	0	0	110.7	S799 A800 V801 Y949 M954 T962 P963 D964	N797-S799 VanDerWaalsContact C-N 3.33Å; N797-S799 PolarHBondContact O-N 3.09Å; N797-S799 WeakPolarHBondContact OD1-CB 3.29Å; N797-S799 PolarHBondContact OD1-N 3.32Å; N797-A800 HydrophobicContact CB-CB 3.99Å; N797-A800 WeakPolarHBondContact O-CB 3.3Å; N797-A800 PolarHBondContact O-N 2.9Å; N797-V801 WeakPolarHBondContact O-CG2 3.36Å; N797-V801 PolarHBondContact O-N 3.05Å; N797-V801 VanDerWaalsContact O-N 3.11Å; N797-Y949 CarbonylContact C-O 3.57Å; N797-Y949 WeakPolarHBondContact CA-O 3.39Å; N797-M954 HydrophobicContact CB-CE 3.78Å; N797-T962 PolarHBondContact ND2-OG1 2.87Å; N797-P963 WeakPolarHBondContact CB-O 3.34Å; N797-D964 PolarHBondContact N-O 3.3Å
798	R	98.2	Very high	96.4	Very high	82 Å²	82	45.5 Å²	45.5	31%	0.309	21%	0.208	S	C	.	.	H	α-helix	trans	-60.5	-41.9	178.9	-179.2	62	-158.4	-168.9	0.6	111.8	M796 A800 V801 D802 Q948 Y949 R950	M796-R798 PolarHBondContact O-N 3.2Å; R798-A800 VanDerWaalsContact C-N 3.26Å; R798-A800 PolarHBondContact O-N 2.91Å; R798-V801 WeakPolarHBondContact O-CB 3.42Å; R798-V801 PolarHBondContact O-N 3.47Å; R798-V801 VanDerWaalsContact O-N 3.09Å; R798-D802 IonicContact CZ-OD1 3.49Å; R798-D802 IonicContact NE-OD1 2.59Å; R798-D802 PolarHBondContact NE-OD1 3.43Å; R798-D802 IonicContact NE-OD2 3.5Å; R798-D802 PolarHBondContact NE-OD2 3.28Å; R798-D802 IonicContact NH2-OD1 3.05Å; R798-D802 PolarHBondContact NH2-OD1 2.95Å; R798-D802 PolarHBondContact O-N 3.39Å; R798-Q948 HydrophobicContact CB-CB 4.02Å; R798-Y949 WeakPolarHBondContact CB-O 3.45Å; R798-Y949 PolarHBondContact N-O 2.68Å; R798-R950 HydrophobicContact CB-CG 4.15Å; R798-R950 HydrophobicContact CG-CG 4.21Å
799	S	98.1	Very high	96.4	Very high	20 Å²	20	40.4 Å²	40.4	14%	0.14	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-34.4	179.7	-56.1	0	0	0	0	111.5	N797 R803 Q951	N797-S799 VanDerWaalsContact C-N 3.33Å; N797-S799 PolarHBondContact O-N 3.09Å; N797-S799 WeakPolarHBondContact OD1-CB 3.29Å; N797-S799 PolarHBondContact OD1-N 3.32Å; S799-R803 VanDerWaalsContact O-CG 3.27Å; S799-R803 WeakPolarHBondContact O-CG 3.23Å; S799-R803 PolarHBondContact O-N 2.96Å; S799-R803 VanDerWaalsContact O-N 3.17Å; S799-Q951 WeakPolarHBondContact OG-CB 3.25Å; S799-Q951 PolarHBondContact OG-N 3.26Å
800	A	97.9	Very high	96.4	Very high	8 Å²	8	40.7 Å²	40.7	7%	0.066	19%	0.19	C	C	.	.	H	α-helix	trans	-67.5	-43.6	171.9	0	0	0	0	0	111.7	N797 R798 D802 R803 G804 F805	N797-A800 HydrophobicContact CB-CB 3.99Å; N797-A800 WeakPolarHBondContact O-CB 3.3Å; N797-A800 PolarHBondContact O-N 2.9Å; R798-A800 VanDerWaalsContact C-N 3.26Å; R798-A800 PolarHBondContact O-N 2.91Å; A800-D802 VanDerWaalsContact C-N 3.31Å; A800-D802 PolarHBondContact O-N 3.3Å; A800-R803 WeakPolarHBondContact O-CB 3.4Å; A800-R803 PolarHBondContact O-N 3.22Å; A800-G804 PolarHBondContact O-N 3.32Å; A800-G804 VanDerWaalsContact O-N 3.16Å; A800-F805 VanDerWaalsContact C-CB 3.42Å; A800-F805 HydrophobicContact CB-CB 4Å; A800-F805 HydrophobicContact CB-CD1 4.39Å; A800-F805 HydrophobicContact CB-CG 4.31Å; A800-F805 WeakPolarHBondContact O-CB 3.27Å; A800-F805 PolarHBondContact O-N 3.45Å
801	V	98	Very high	96.5	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-41.5	175.6	172.7	0	0	0	0	111.7	M796 N797 R798 R803 G804 F805 R807 I928 P929	M796-V801 HydrophobicContact CE-CG2 4.4Å; N797-V801 WeakPolarHBondContact O-CG2 3.36Å; N797-V801 PolarHBondContact O-N 3.05Å; N797-V801 VanDerWaalsContact O-N 3.11Å; R798-V801 WeakPolarHBondContact O-CB 3.42Å; R798-V801 PolarHBondContact O-N 3.47Å; R798-V801 VanDerWaalsContact O-N 3.09Å; V801-R803 VanDerWaalsContact C-N 3.34Å; V801-R803 PolarHBondContact O-N 2.91Å; V801-G804 PolarHBondContact O-N 3.12Å; V801-G804 VanDerWaalsContact O-N 3.08Å; V801-F805 HydrophobicContact CG2-CD1 4.32Å; V801-R807 PolarHBondContact O-NH2 3.19Å; V801-I928 HydrophobicContact CG1-CG2 3.55Å; V801-P929 HydrophobicContact CG1-CB 4.14Å; V801-P929 HydrophobicContact CG1-CG 4.37Å; V801-P929 HydrophobicContact CG2-CB 4.2Å
802	D	97.8	Very high	96.7	Very high	77 Å²	77	30.1 Å²	30.1	41%	0.412	14%	0.138	S	C	.	.	H	α-helix	trans	-64.7	-38.3	177.7	-69.3	-32.9	0	0	0	111.6	R798 A800 G804 R807	R798-D802 IonicContact CZ-OD1 3.49Å; R798-D802 IonicContact NE-OD1 2.59Å; R798-D802 PolarHBondContact NE-OD1 3.43Å; R798-D802 IonicContact NE-OD2 3.5Å; R798-D802 PolarHBondContact NE-OD2 3.28Å; R798-D802 IonicContact NH2-OD1 3.05Å; R798-D802 PolarHBondContact NH2-OD1 2.95Å; R798-D802 PolarHBondContact O-N 3.39Å; A800-D802 VanDerWaalsContact C-N 3.31Å; A800-D802 PolarHBondContact O-N 3.3Å; D802-G804 PolarHBondContact O-N 3.18Å; D802-R807 PolarHBondContact O-NH2 2.9Å
803	R	97.7	Very high	97.1	Very high	176 Å²	176	27.4 Å²	27.4	66%	0.664	13%	0.125	S	C	*	.	H	α-helix	trans	-67.8	-15.9	172.9	-69.4	169.7	-173.1	148.4	6.4	113.9	S799 A800 V801	S799-R803 VanDerWaalsContact O-CG 3.27Å; S799-R803 WeakPolarHBondContact O-CG 3.23Å; S799-R803 PolarHBondContact O-N 2.96Å; S799-R803 VanDerWaalsContact O-N 3.17Å; A800-R803 WeakPolarHBondContact O-CB 3.4Å; A800-R803 PolarHBondContact O-N 3.22Å; V801-R803 VanDerWaalsContact C-N 3.34Å; V801-R803 PolarHBondContact O-N 2.91Å
804	G	96.7	Very high	97.1	Very high	4 Å²	4	27.3 Å²	27.3	4%	0.041	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	119.4	8.4	175.7	0	0	0	0	0	115.4	A800 V801 D802 F806 R807	A800-G804 PolarHBondContact O-N 3.32Å; A800-G804 VanDerWaalsContact O-N 3.16Å; V801-G804 PolarHBondContact O-N 3.12Å; V801-G804 VanDerWaalsContact O-N 3.08Å; D802-G804 PolarHBondContact O-N 3.18Å; G804-F806 PolarHBondContact O-N 2.81Å; G804-R807 WeakPolarHBondContact O-CB 3.39Å; G804-R807 PolarHBondContact O-N 3.48Å; G804-R807 VanDerWaalsContact O-N 3.13Å
805	F	97.9	Very high	97	Very high	21 Å²	21	32.5 Å²	32.5	9%	0.092	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	126	176.2	-175.9	-123.5	0	0	0	111.1	I776 S778 M796 A800 V801 R807 P929 D964 I965	I776-F805 HydrophobicContact CB-CE2 4.42Å; I776-F805 HydrophobicContact CD1-CD2 4.44Å; I776-F805 HydrophobicContact CG2-CD2 4.12Å; I776-F805 HydrophobicContact CG2-CE2 3.9Å; S778-F805 WeakPolarHBondContact OG-CE2 3.44Å; S778-F805 VanDerWaalsContact OG-CZ 3.23Å; S778-F805 WeakPolarHBondContact OG-CZ 3.27Å; M796-F805 HydrophobicContact CE-CD1 3.78Å; M796-F805 HydrophobicContact CE-CE1 3.48Å; M796-F805 VanDerWaalsContact CE-CE1 3.48Å; A800-F805 VanDerWaalsContact C-CB 3.42Å; A800-F805 HydrophobicContact CB-CB 4Å; A800-F805 HydrophobicContact CB-CD1 4.39Å; A800-F805 HydrophobicContact CB-CG 4.31Å; A800-F805 WeakPolarHBondContact O-CB 3.27Å; A800-F805 PolarHBondContact O-N 3.45Å; V801-F805 HydrophobicContact CG2-CD1 4.32Å; F805-R807 PolarHBondContact O-N 3.32Å; F805-P929 WeakPolarHBondContact O-CG 3.45Å; F805-D964 HydrophobicContact CE1-CB 4.07Å; F805-D964 HydrophobicContact CE2-CB 4.37Å; F805-D964 HydrophobicContact CZ-CB 3.84Å; F805-I965 HydrophobicContact CE1-CD1 4.06Å; F805-I965 HydrophobicContact CE1-CG1 4.09Å; F805-I965 HydrophobicContact CZ-CD1 3.92Å; F805-I965 HydrophobicContact CZ-CG1 4.24Å
806	F	97.8	Very high	96.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	16.2	-176.7	-77.5	-62.1	0	0	0	117	L751 I776 M796 G804 S808 P929 F935 I965 Y1048 R1050	L751-F806 HydrophobicContact CD1-CD1 4.31Å; I776-F806 HydrophobicContact CB-CD1 4.41Å; I776-F806 HydrophobicContact CB-CE1 3.8Å; I776-F806 HydrophobicContact CB-CE2 4.35Å; I776-F806 HydrophobicContact CB-CZ 3.74Å; I776-F806 HydrophobicContact CD1-CB 4.49Å; I776-F806 HydrophobicContact CD1-CD1 3.7Å; I776-F806 HydrophobicContact CD1-CE1 3.98Å; I776-F806 HydrophobicContact CD1-CG 4.01Å; I776-F806 HydrophobicContact CD1-CZ 4.5Å; I776-F806 HydrophobicContact CG1-CD1 3.95Å; I776-F806 HydrophobicContact CG1-CE1 3.7Å; I776-F806 HydrophobicContact CG1-CZ 4.18Å; M796-F806 HydrophobicContact CE-CD2 4.31Å; G804-F806 PolarHBondContact O-N 2.81Å; F806-S808 PolarHBondContact O-N 3.23Å; F806-P929 HydrophobicContact CB-CG 3.69Å; F806-F935 HydrophobicContact CB-CE1 3.93Å; F806-F935 HydrophobicContact CD1-CE1 4.4Å; F806-F935 HydrophobicContact CD2-CD1 4.11Å; F806-F935 AromaticContact CD2-CE1 3.82Å; F806-F935 HydrophobicContact CD2-CE1 3.82Å; F806-F935 HydrophobicContact CE2-CD1 4.3Å; F806-F935 HydrophobicContact CE2-CE1 4.46Å; F806-F935 HydrophobicContact CG-CD1 4.33Å; F806-F935 AromaticContact CG-CE1 3.8Å; F806-F935 HydrophobicContact CG-CE1 3.8Å; F806-I965 HydrophobicContact CE2-CD1 4.35Å; F806-Y1048 WeakPolarHBondContact CE1-O 3.4Å; F806-Y1048 VanDerWaalsContact CZ-O 3.27Å; F806-Y1048 WeakPolarHBondContact CZ-O 3.45Å; F806-R1050 HydrophobicContact CD1-CB 3.68Å; F806-R1050 HydrophobicContact CE1-CB 4.2Å; F806-R1050 HydrophobicContact CG-CB 4.31Å; F806-R1050 WeakPolarHBondContact O-CD 3.49Å; F806-R1050 PolarHBondContact O-NH1 3.06Å
807	R	97.9	Very high	96.6	Very high	59 Å²	59	38.8 Å²	38.8	22%	0.223	17%	0.171	C	C	.	.			trans	-62.4	131	175.8	-169.6	173.7	-64.4	170.2	6.6	110	L751 Y752 V801 D802 G804 F805 V926 I928	L751-R807 WeakPolarHBondContact CD1-O 3.39Å; Y752-R807 WeakPolarHBondContact CB-O 3.25Å; Y752-R807 HydrophobicContact CD1-CB 4.24Å; Y752-R807 HydrophobicContact CD1-CG 3.96Å; Y752-R807 VanDerWaalsContact CD1-O 3.27Å; Y752-R807 WeakPolarHBondContact CD1-O 3.14Å; Y752-R807 HydrophobicContact CD2-CG 4.24Å; Y752-R807 HydrophobicContact CE1-CG 3.98Å; Y752-R807 HydrophobicContact CE2-CG 4.27Å; Y752-R807 HydrophobicContact CG-CB 4.13Å; Y752-R807 HydrophobicContact CG-CG 4.1Å; Y752-R807 PolarHBondContact N-O 3.05Å; V801-R807 PolarHBondContact O-NH2 3.19Å; D802-R807 PolarHBondContact O-NH2 2.9Å; G804-R807 WeakPolarHBondContact O-CB 3.39Å; G804-R807 PolarHBondContact O-N 3.48Å; G804-R807 VanDerWaalsContact O-N 3.13Å; F805-R807 PolarHBondContact O-N 3.32Å; R807-V926 HydrophobicContact CG-CG1 3.88Å; R807-I928 HydrophobicContact CG-CG1 4.44Å
808	S	96.8	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	161.6	178.4	67	0	0	0	0	111	V750 F806 R927 R1050	V750-S808 CarbonylContact O-C 3.6Å; V750-S808 VanDerWaalsContact O-CA 3.25Å; V750-S808 WeakPolarHBondContact O-CA 3.4Å; V750-S808 VanDerWaalsContact O-CB 3.3Å; V750-S808 WeakPolarHBondContact O-CB 3.13Å; F806-S808 PolarHBondContact O-N 3.23Å; S808-R927 PolarHBondContact N-O 3.31Å; S808-R927 PolarHBondContact O-N 3.08Å; S808-R1050 PolarHBondContact OG-NH1 3.1Å
809	V	96.6	Very high	95.9	Very high	12 Å²	12	37 Å²	37	7%	0.073	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.5	169.5	56.7	0	0	0	0	108.5	H749 V750 Y752 Y811 R924	H749-V809 WeakPolarHBondContact CA-O 3.09Å; V750-V809 HydrophobicContact CB-CG1 3.92Å; V750-V809 PolarHBondContact N-O 3.46Å; V750-V809 PolarHBondContact O-N 2.85Å; Y752-V809 HydrophobicContact CE1-CB 3.94Å; Y752-V809 HydrophobicContact CE1-CG1 4.36Å; V809-Y811 HydrophobicContact CB-CE2 4.19Å; V809-Y811 HydrophobicContact CG1-CD2 4.26Å; V809-Y811 HydrophobicContact CG1-CE2 3.43Å; V809-Y811 VanDerWaalsContact CG1-CE2 3.43Å; V809-Y811 HydrophobicContact CG2-CD2 4.2Å; V809-Y811 HydrophobicContact CG2-CE1 4.13Å; V809-Y811 HydrophobicContact CG2-CE2 3.72Å; V809-R924 HydrophobicContact CG2-CB 4.12Å
810	F	96.3	Very high	95.2	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.3	173.9	172.5	-115	0	0	0	109.1	L747 A748 H749 R812 R924 S925 R927	L747-F810 HydrophobicContact CD2-CE2 3.59Å; L747-F810 HydrophobicContact CD2-CZ 3.44Å; L747-F810 VanDerWaalsContact CD2-CZ 3.44Å; A748-F810 WeakPolarHBondContact O-CA 3.4Å; A748-F810 WeakPolarHBondContact O-CD2 3.44Å; H749-F810 AromaticContact CE1-CD2 3.19Å; H749-F810 WeakPolarHBondContact CE1-CD2 3.44Å; H749-F810 AromaticContact CE1-CE2 3.78Å; H749-F810 AromaticContact CE1-CG 3.94Å; H749-F810 AromaticContact ND1-CD2 3.55Å; H749-F810 AromaticContact NE2-CD2 3.62Å; H749-F810 AromaticContact NE2-CE2 3.79Å; F810-R812 HydrophobicContact CE1-CB 4.05Å; F810-R812 HydrophobicContact CZ-CB 4.11Å; F810-R924 CarbonylContact O-C 3.55Å; F810-R924 WeakPolarHBondContact O-CA 3.09Å; F810-S925 WeakPolarHBondContact CD1-OG 3.35Å; F810-S925 PolarHBondContact N-O 3.38Å; F810-S925 PolarHBondContact O-N 2.83Å; F810-S925 PolarHBondContact O-OG 2.96Å; F810-R927 HydrophobicContact CB-CG 4.08Å
811	Y	95.9	Very high	93.9	Very high	30 Å²	30	46 Å²	46	12%	0.118	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.9	172.9	-60	-86.6	0	0	0	110.1	F740 A748 V750 V809 D905 R922 V923 R924	F740-Y811 HydrophobicContact CD2-CE2 4.31Å; F740-Y811 HydrophobicContact CE2-CE2 4.24Å; A748-Y811 HydrophobicContact CB-CD2 4.41Å; A748-Y811 PolarHBondContact N-O 3.47Å; A748-Y811 PolarHBondContact O-N 3.26Å; V750-Y811 HydrophobicContact CG2-CE2 4.41Å; V809-Y811 HydrophobicContact CB-CE2 4.19Å; V809-Y811 HydrophobicContact CG1-CD2 4.26Å; V809-Y811 HydrophobicContact CG1-CE2 3.43Å; V809-Y811 VanDerWaalsContact CG1-CE2 3.43Å; V809-Y811 HydrophobicContact CG2-CD2 4.2Å; V809-Y811 HydrophobicContact CG2-CE1 4.13Å; V809-Y811 HydrophobicContact CG2-CE2 3.72Å; Y811-D905 WeakPolarHBondContact CE1-OD2 3.41Å; Y811-R922 HydrophobicContact CD1-CG 4.08Å; Y811-V923 WeakPolarHBondContact CA-O 3.5Å; Y811-R924 HydrophobicContact CD1-CB 3.67Å; Y811-R924 HydrophobicContact CE1-CB 3.57Å
812	R	94.8	Very high	92.7	Very high	30 Å²	30	48.2 Å²	48.2	11%	0.113	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.8	168.4	-179.6	-179.1	-65.1	-72.4	1.3	109.6	T746 F810 Y814 E900 R922 V923	T746-R812 WeakPolarHBondContact O-CA 3.44Å; F810-R812 HydrophobicContact CE1-CB 4.05Å; F810-R812 HydrophobicContact CZ-CB 4.11Å; R812-Y814 VanDerWaalsContact CD-CZ 3.45Å; R812-Y814 WeakPolarHBondContact CD-OH 3.45Å; R812-Y814 HydrophobicContact CG-CD2 4.38Å; R812-Y814 HydrophobicContact CG-CE2 3.88Å; R812-E900 WeakPolarHBondContact CD-OE2 3.49Å; R812-E900 IonicContact CZ-OE1 3.9Å; R812-E900 IonicContact CZ-OE2 3.75Å; R812-E900 IonicContact NE-OE1 3.29Å; R812-E900 PolarHBondContact NE-OE1 3.26Å; R812-E900 IonicContact NE-OE2 2.82Å; R812-E900 PolarHBondContact NE-OE2 3.35Å; R812-E900 IonicContact NH2-OE1 3.07Å; R812-E900 PolarHBondContact NH2-OE1 3.31Å; R812-R922 WeakPolarHBondContact O-CA 3.26Å; R812-V923 PolarHBondContact N-O 2.91Å; R812-V923 PolarHBondContact O-N 3.37Å
813	S	94.9	Very high	91.7	Very high	11 Å²	11	53.5 Å²	53.5	8%	0.077	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	136.1	169.2	76.7	0	0	0	0	111.7	D745 T746 I921	D745-S813 WeakPolarHBondContact O-CB 3.47Å; D745-S813 PolarHBondContact O-N 3.02Å; D745-S813 PolarHBondContact O-OG 3.49Å; T746-S813 VanDerWaalsContact CA-OG 3.26Å; T746-S813 WeakPolarHBondContact CA-OG 3.39Å; T746-S813 PolarHBondContact N-OG 3.31Å; T746-S813 PolarHBondContact O-N 2.77Å; S813-I921 CarbonylContact C-O 3.53Å; S813-I921 VanDerWaalsContact CA-O 3.28Å; S813-I921 WeakPolarHBondContact CA-O 3.45Å
814	Y	95	Very high	90.9	Very high	31 Å²	31	51 Å²	51	12%	0.122	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144	164.9	-66.5	-92.9	0	0	0	108.7	R812 I866 L896 R897 E900 K920 I921 V923	R812-Y814 VanDerWaalsContact CD-CZ 3.45Å; R812-Y814 WeakPolarHBondContact CD-OH 3.45Å; R812-Y814 HydrophobicContact CG-CD2 4.38Å; R812-Y814 HydrophobicContact CG-CE2 3.88Å; Y814-I866 HydrophobicContact CD1-CD1 3.79Å; Y814-I866 HydrophobicContact CD2-CD1 3.49Å; Y814-I866 VanDerWaalsContact CD2-CD1 3.49Å; Y814-I866 HydrophobicContact CE1-CD1 4.29Å; Y814-I866 HydrophobicContact CE2-CD1 4.06Å; Y814-I866 HydrophobicContact CG-CD1 3.34Å; Y814-L896 HydrophobicContact CE2-CD1 3.55Å; Y814-L896 WeakPolarHBondContact OH-CD1 3.44Å; Y814-R897 PolarHBondContact OH-N 3Å; Y814-E900 PolarHBondContact OH-OE2 3.03Å; Y814-K920 CarbonylContact O-C 3.53Å; Y814-K920 WeakPolarHBondContact O-CA 3.48Å; Y814-I921 PolarHBondContact N-O 3.47Å; Y814-I921 PolarHBondContact O-N 3.06Å; Y814-V923 HydrophobicContact CD2-CG2 4.44Å; Y814-V923 HydrophobicContact CE2-CG2 4.44Å
815	K	94.4	Very high	90.3	Very high	114 Å²	114	54 Å²	54	50%	0.496	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139.3	178.7	68.4	179.9	-177	176.7	0	109.3	F918 C919 K920	K815-F918 HydrophobicContact CB-CE2 4.17Å; K815-F918 HydrophobicContact CB-CZ 3.94Å; K815-F918 HydrophobicContact CD-CZ 4.46Å; K815-C919 WeakPolarHBondContact CA-O 3.33Å; K815-K920 HydrophobicContact CB-CG 3.82Å
816	E	94.9	Very high	89.8	Confident	44 Å²	44	58 Å²	58	21%	0.206	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	152.4	177.4	-163.9	54.1	-106.7	0	0	109.5	F829 I867 K869 T894 F918 C919	E816-F829 HydrophobicContact CB-CE1 4.15Å; E816-F829 HydrophobicContact CB-CZ 4.14Å; E816-F829 HydrophobicContact CG-CE1 3.81Å; E816-F829 HydrophobicContact CG-CZ 4.14Å; E816-I867 HydrophobicContact CB-CD1 3.6Å; E816-I867 HydrophobicContact CB-CG2 4.27Å; E816-I867 HydrophobicContact CG-CG2 4.35Å; E816-K869 VanDerWaalsContact CD-NZ 3.34Å; E816-K869 HydrophobicContact CG-CD 4.03Å; E816-K869 IonicContact OE1-NZ 3.85Å; E816-K869 PolarHBondContact OE1-NZ 3.07Å; E816-T894 HydrophobicContact CB-CG2 4.36Å; E816-T894 HydrophobicContact CG-CG2 3.98Å; E816-T894 WeakPolarHBondContact OE2-CG2 3.42Å; E816-F918 WeakPolarHBondContact O-CD2 3.46Å; E816-F918 WeakPolarHBondContact O-CE2 3.31Å; E816-C919 PolarHBondContact N-O 3.49Å; E816-C919 PolarHBondContact O-N 3.32Å
817	Q	92.6	Very high	89.6	Confident	88 Å²	88	58.7 Å²	58.7	41%	0.411	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	147.4	179	73.6	-175.5	1.1	0	0	110.8	F918	Q817-F918 HydrophobicContact CB-CD2 3.73Å; Q817-F918 HydrophobicContact CB-CE2 4.37Å
818	E	91.9	Very high	89.4	Confident	26 Å²	26	58.3 Å²	58.3	12%	0.121	29%	0.286	C	S	.	.			trans	-70.8	148.8	164.2	-69.7	177.6	172.9	0	0	109.6	E827 F829 Y916 K917	E818-E827 WeakPolarHBondContact CB-O 3.49Å; E818-E827 WeakPolarHBondContact CG-O 3.36Å; E818-F829 HydrophobicContact CG-CD2 3.74Å; E818-F829 HydrophobicContact CG-CE2 3.73Å; E818-F829 HydrophobicContact CG-CG 4.15Å; E818-F829 HydrophobicContact CG-CZ 4.13Å; E818-F829 WeakPolarHBondContact OE1-CD2 3.22Å; E818-F829 PolarHBondContact OE1-N 2.98Å; E818-Y916 WeakPolarHBondContact O-CB 3.45Å; E818-K917 VanDerWaalsContact CD-CB 3.5Å; E818-K917 HydrophobicContact CG-CB 4.16Å; E818-K917 PolarHBondContact N-O 2.93Å; E818-K917 WeakPolarHBondContact OE2-CB 3.25Å
819	S	89.1	Confident	89.4	Confident	21 Å²	21	58.7 Å²	58.7	15%	0.147	29%	0.288	C	S	.	.			trans	-153.4	147.8	175.8	65.4	0	0	0	0	110.6	K821 E827	S819-K821 WeakPolarHBondContact OG-CE 3.48Å; S819-E827 VanDerWaalsContact O-CB 3.32Å; S819-E827 WeakPolarHBondContact O-CB 3.42Å; S819-E827 PolarHBondContact O-N 2.77Å; S819-E827 VanDerWaalsContact OG-CD 3.27Å; S819-E827 PolarHBondContact OG-OE2 3.05Å
820	K	83.4	Confident	89.3	Confident	87 Å²	87	60.4 Å²	60.4	38%	0.378	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-104.1	100.1	173.5	-171.7	164.1	-177.6	162	0	108.7	G822 F823 E826 Y916	K820-G822 VanDerWaalsContact CG-O 3.31Å; K820-G822 WeakPolarHBondContact CG-O 3.28Å; K820-G822 PolarHBondContact O-N 2.94Å; K820-F823 WeakPolarHBondContact CE-O 3.44Å; K820-F823 PolarHBondContact NZ-O 3.33Å; K820-E826 HydrophobicContact CB-CG 4.49Å; K820-E826 HydrophobicContact CD-CG 3.76Å; K820-E826 WeakPolarHBondContact CD-OE1 3.39Å; K820-E826 VanDerWaalsContact CE-OE1 3.3Å; K820-E826 WeakPolarHBondContact CE-OE1 3.47Å; K820-E826 HydrophobicContact CG-CG 3.87Å; K820-E826 IonicContact NZ-OE1 3.67Å; K820-E826 PolarHBondContact NZ-OE1 3.4Å; K820-Y916 HydrophobicContact CB-CE1 4.3Å
821	K	71	Confident	89.2	Confident	128 Å²	128	63.3 Å²	63.3	56%	0.557	31%	0.307	S	S	*	.			trans	-96.2	61.4	-176.7	-70.4	178.6	-177.3	154	0	110.1	S819 Q825 E827	S819-K821 WeakPolarHBondContact OG-CE 3.48Å; K821-Q825 PolarHBondContact N-O 3.47Å; K821-Q825 PolarHBondContact O-OE1 3.47Å; K821-E827 WeakPolarHBondContact CE-OE1 3.29Å; K821-E827 IonicContact NZ-OE1 2.78Å; K821-E827 PolarHBondContact NZ-OE1 3.11Å; K821-E827 IonicContact NZ-OE2 3.71Å
822	G	73.2	Confident	89.1	Confident	48 Å²	48	62.1 Å²	62.1	50%	0.495	30%	0.303	S	S	.	.	S	Bend	trans	135.9	-171.4	-177.2	0	0	0	0	0	112	K820	K820-G822 VanDerWaalsContact CG-O 3.31Å; K820-G822 WeakPolarHBondContact CG-O 3.28Å; K820-G822 PolarHBondContact O-N 2.94Å
823	F	76.3	Confident	89	Confident	187 Å²	187	63.7 Å²	63.7	82%	0.82	32%	0.316	S	S	*	.	S	Bend	trans	-72.6	-40.5	176.3	-78	-79.2	0	0	0	112.4	K820	K820-F823 WeakPolarHBondContact CE-O 3.44Å; K820-F823 PolarHBondContact NZ-O 3.33Å
824	D	80.6	Confident	88.6	Confident	125 Å²	125	70.5 Å²	70.5	67%	0.668	34%	0.34	S	S	*	.	S	Bend	trans	-116	-16.7	-175.5	-57	-42.9	0	0	0	113.9	E826 T872	D824-E826 PolarHBondContact O-N 3.08Å; D824-T872 WeakPolarHBondContact O-CG2 3.4Å
825	Q	84.9	Confident	88.3	Confident	67 Å²	67	75.6 Å²	75.6	31%	0.313	37%	0.365	S	S	.	.			trans	-78.5	83.5	-178.8	-66.7	-177.4	9.9	0	0	111.6	K821 V871	K821-Q825 PolarHBondContact N-O 3.47Å; K821-Q825 PolarHBondContact O-OE1 3.47Å; Q825-V871 HydrophobicContact CB-CG2 4.36Å
826	E	88.5	Confident	88	Confident	103 Å²	103	72.6 Å²	72.6	48%	0.481	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-89.4	126.8	173.1	-66.4	-176.6	175.7	0	0	110.6	K820 D824 T872	K820-E826 HydrophobicContact CB-CG 4.49Å; K820-E826 HydrophobicContact CD-CG 3.76Å; K820-E826 WeakPolarHBondContact CD-OE1 3.39Å; K820-E826 VanDerWaalsContact CE-OE1 3.3Å; K820-E826 WeakPolarHBondContact CE-OE1 3.47Å; K820-E826 HydrophobicContact CG-CG 3.87Å; K820-E826 IonicContact NZ-OE1 3.67Å; K820-E826 PolarHBondContact NZ-OE1 3.4Å; D824-E826 PolarHBondContact O-N 3.08Å; E826-T872 PolarHBondContact O-N 3.09Å
827	E	91.9	Very high	87.8	Confident	15 Å²	15	70.7 Å²	70.7	7%	0.07	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	124.3	165.2	-60.9	-175.9	174.3	0	0	108.8	E818 S819 K821 K869 T870 V871	E818-E827 WeakPolarHBondContact CB-O 3.49Å; E818-E827 WeakPolarHBondContact CG-O 3.36Å; S819-E827 VanDerWaalsContact O-CB 3.32Å; S819-E827 WeakPolarHBondContact O-CB 3.42Å; S819-E827 PolarHBondContact O-N 2.77Å; S819-E827 VanDerWaalsContact OG-CD 3.27Å; S819-E827 PolarHBondContact OG-OE2 3.05Å; K821-E827 WeakPolarHBondContact CE-OE1 3.29Å; K821-E827 IonicContact NZ-OE1 2.78Å; K821-E827 PolarHBondContact NZ-OE1 3.11Å; K821-E827 IonicContact NZ-OE2 3.71Å; E827-K869 HydrophobicContact CB-CD 4.24Å; E827-K869 HydrophobicContact CB-CG 4.44Å; E827-K869 IonicContact OE2-NZ 3.63Å; E827-K869 PolarHBondContact OE2-NZ 3.09Å; E827-T870 VanDerWaalsContact CA-O 3.27Å; E827-T870 WeakPolarHBondContact CA-O 3.44Å; E827-V871 HydrophobicContact CG-CB 4.13Å; E827-V871 HydrophobicContact CG-CG2 4.04Å
828	V	94.4	Very high	87.7	Confident	51 Å²	51	70.9 Å²	70.9	31%	0.309	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.7	-178	64.3	0	0	0	0	110.9	E830 K869 T870	V828-E830 HydrophobicContact CG1-CG 4.08Å; V828-E830 PolarHBondContact O-N 3.07Å; V828-K869 WeakPolarHBondContact O-CA 3.35Å; V828-T870 WeakPolarHBondContact CG1-OG1 3.26Å; V828-T870 PolarHBondContact N-O 2.79Å; V828-T870 PolarHBondContact O-N 3.48Å
829	F	96.1	Very high	87.4	Confident	9 Å²	9	72.5 Å²	72.5	4%	0.039	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	114.7	166.6	-60.4	-46.6	0	0	0	110.1	E816 E818 D851 I867 G868 K869 K917 C919	E816-F829 HydrophobicContact CB-CE1 4.15Å; E816-F829 HydrophobicContact CB-CZ 4.14Å; E816-F829 HydrophobicContact CG-CE1 3.81Å; E816-F829 HydrophobicContact CG-CZ 4.14Å; E818-F829 HydrophobicContact CG-CD2 3.74Å; E818-F829 HydrophobicContact CG-CE2 3.73Å; E818-F829 HydrophobicContact CG-CG 4.15Å; E818-F829 HydrophobicContact CG-CZ 4.13Å; E818-F829 WeakPolarHBondContact OE1-CD2 3.22Å; E818-F829 PolarHBondContact OE1-N 2.98Å; F829-D851 CarbonylContact C-O 3.6Å; F829-I867 HydrophobicContact CD1-CG2 3.6Å; F829-I867 HydrophobicContact CE1-CG2 3.49Å; F829-I867 VanDerWaalsContact CE1-CG2 3.49Å; F829-I867 HydrophobicContact CZ-CG2 4.4Å; F829-G868 WeakPolarHBondContact CA-O 3.33Å; F829-K869 HydrophobicContact CD1-CB 4.14Å; F829-K869 HydrophobicContact CD1-CD 4.39Å; F829-K869 HydrophobicContact CD1-CG 4.23Å; F829-K869 HydrophobicContact CE1-CB 4.33Å; F829-K869 HydrophobicContact CE1-CD 3.95Å; F829-K869 HydrophobicContact CE1-CG 4.27Å; F829-K917 HydrophobicContact CD2-CB 4.33Å; F829-K917 HydrophobicContact CD2-CD 3.84Å; F829-K917 HydrophobicContact CD2-CG 4.15Å; F829-K917 HydrophobicContact CE2-CB 4.32Å; F829-K917 HydrophobicContact CE2-CD 4.49Å; F829-K917 HydrophobicContact CE2-CG 4.3Å; F829-C919 HydrophobicContact CE2-CB 4.05Å; F829-C919 HydrophobicContact CZ-CB 4.24Å
830	E	94.7	Very high	87.4	Confident	47 Å²	47	73.3 Å²	73.3	22%	0.22	37%	0.374	C	S	.	.			trans	-158	163.2	175.6	66.8	179.8	-175.7	0	0	108.6	V828 P832 G852 G868 T870 K889	V828-E830 HydrophobicContact CG1-CG 4.08Å; V828-E830 PolarHBondContact O-N 3.07Å; E830-P832 WeakPolarHBondContact O-CD 3.47Å; E830-G852 VanDerWaalsContact C-CA 3.46Å; E830-G868 PolarHBondContact N-O 2.74Å; E830-G868 CarbonylContact O-C 3.48Å; E830-T870 VanDerWaalsContact CD-OG1 3.26Å; E830-T870 HydrophobicContact CG-CG2 3.81Å; E830-T870 WeakPolarHBondContact CG-OG1 3.17Å; E830-T870 WeakPolarHBondContact OE1-CB 3.3Å; E830-T870 WeakPolarHBondContact OE1-CG2 3.46Å; E830-T870 PolarHBondContact OE1-OG1 2.66Å; E830-K889 WeakPolarHBondContact OE1-CD 3.4Å; E830-K889 WeakPolarHBondContact OE1-CE 3.36Å; E830-K889 IonicContact OE1-NZ 3.21Å; E830-K889 PolarHBondContact OE1-NZ 2.81Å; E830-K889 IonicContact OE2-NZ 2.73Å; E830-K889 PolarHBondContact OE2-NZ 3.12Å
831	K	95.4	Very high	87.5	Confident	68 Å²	68	76 Å²	76	30%	0.296	38%	0.382	S	S	.	.			trans	-73	114.8	174.3	-171	168.8	-175.9	160.8	0	110.9	Y845 L848	K831-Y845 WeakPolarHBondContact CE-O 3.37Å; K831-L848 HydrophobicContact CG-CB 4.45Å; K831-L848 PolarHBondContact NZ-O 3.37Å
832	P	93.9	Very high	88.3	Confident	5 Å²	5	79.1 Å²	79.1	3%	0.032	40%	0.398	C	S	.	.			trans	-70.2	133.6	179.1	-16.5	32.1	0	0	0	111.4	E830 C837 M840 Y845 T870	E830-P832 WeakPolarHBondContact O-CD 3.47Å; P832-C837 HydrophobicContact CB-CB 4.35Å; P832-M840 HydrophobicContact CB-CE 4.01Å; P832-M840 HydrophobicContact CB-CG 4.46Å; P832-M840 HydrophobicContact CB-SD 4.17Å; P832-M840 WeakPolarHBondContact O-CE 3.31Å; P832-Y845 HydrophobicContact CB-CD1 4.24Å; P832-Y845 HydrophobicContact CB-CE1 4.21Å; P832-Y845 HydrophobicContact CG-CD1 3.9Å; P832-Y845 HydrophobicContact CG-CE1 3.9Å; P832-T870 HydrophobicContact CB-CG2 4Å; P832-T870 HydrophobicContact CG-CG2 3.92Å
833	T	91.4	Very high	89	Confident	62 Å²	62	77.4 Å²	77.4	38%	0.38	38%	0.38	S	S	.	.			trans	-112.2	140.7	177.9	46	0	0	0	0	111.4	E835 T836 C837	T833-E835 WeakPolarHBondContact CB-OE2 3.25Å; T833-E835 PolarHBondContact O-N 3.2Å; T833-T836 PolarHBondContact O-N 3.28Å; T833-T836 PolarHBondContact O-OG1 2.82Å; T833-T836 PolarHBondContact OG1-OG1 3.24Å; T833-C837 WeakPolarHBondContact O-CB 3.46Å; T833-C837 PolarHBondContact O-N 3.12Å
834	R	87.9	Confident	89.6	Confident	155 Å²	155	72.7 Å²	72.7	59%	0.585	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.8	-173.4	-73.2	-175.2	179.7	-164.5	3.5	113.4	M840 Y887	R834-M840 VanDerWaalsContact CA-SD 3.56Å; R834-M840 HydrophobicContact CB-SD 4.25Å; R834-M840 HydrophobicContact CG-CE 4.07Å; R834-M840 HydrophobicContact CG-SD 3.69Å; R834-M840 PolarHBondContact N-SD 3.2Å; R834-Y887 WeakPolarHBondContact O-CE1 3.49Å
835	E	88.6	Confident	90.3	Very high	138 Å²	138	67.2 Å²	67.2	65%	0.645	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-35	178.9	-60.8	70.6	-151.9	0	0	111.3	T833 R886	T833-E835 WeakPolarHBondContact CB-OE2 3.25Å; T833-E835 PolarHBondContact O-N 3.2Å; E835-R886 VanDerWaalsContact O-O 3.09Å
836	T	87.9	Confident	90.7	Very high	50 Å²	50	70.3 Å²	70.3	31%	0.307	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-29.1	-170.9	60	0	0	0	0	113.4	T833 Y887 T888 K889	T833-T836 PolarHBondContact O-N 3.28Å; T833-T836 PolarHBondContact O-OG1 2.82Å; T833-T836 PolarHBondContact OG1-OG1 3.24Å; T836-Y887 WeakPolarHBondContact O-CA 3.04Å; T836-T888 PolarHBondContact O-N 3.43Å; T836-K889 PolarHBondContact O-N 3.48Å; T836-K889 VanDerWaalsContact O-N 3.11Å
837	C	89.7	Confident	91	Very high	4 Å²	4	68.3 Å²	68.3	3%	0.027	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.8	-173.6	-64.7	0	0	0	0	112.7	P832 T833 M840 K889	P832-C837 HydrophobicContact CB-CB 4.35Å; T833-C837 WeakPolarHBondContact O-CB 3.46Å; T833-C837 PolarHBondContact O-N 3.12Å; C837-M840 HydrophobicContact CB-CG 3.94Å; C837-M840 HydrophobicContact CB-SD 4.04Å; C837-K889 CarbonylContact C-O 3.23Å; C837-K889 WeakPolarHBondContact CA-O 3.45Å
838	Q	90.2	Very high	91.2	Very high	93 Å²	93	67.7 Å²	67.7	44%	0.435	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	141.4	168	-167.9	-175.3	14.6	0	0	110.8	Y887 K889 R890 D891	Q838-Y887 HydrophobicContact CB-CD2 3.93Å; Q838-Y887 HydrophobicContact CB-CG 3.89Å; Q838-Y887 HydrophobicContact CG-CD2 4.01Å; Q838-Y887 HydrophobicContact CG-CG 4.48Å; Q838-K889 PolarHBondContact N-O 3.14Å; Q838-R890 WeakPolarHBondContact O-CA 3.32Å; Q838-D891 PolarHBondContact O-N 3.27Å
839	G	86	Confident	91.3	Very high	60 Å²	60	69 Å²	69	62%	0.619	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	15.1	167.5	0	0	0	0	0	115.5
840	M	89.4	Confident	91.1	Very high	37 Å²	37	75.7 Å²	75.7	18%	0.182	38%	0.379	C	S	.	.			trans	-58.3	137.9	172.1	-69.2	-175.4	71.1	0	0	111.2	P832 R834 C837 Y845 D891	P832-M840 HydrophobicContact CB-CE 4.01Å; P832-M840 HydrophobicContact CB-CG 4.46Å; P832-M840 HydrophobicContact CB-SD 4.17Å; P832-M840 WeakPolarHBondContact O-CE 3.31Å; R834-M840 VanDerWaalsContact CA-SD 3.56Å; R834-M840 HydrophobicContact CB-SD 4.25Å; R834-M840 HydrophobicContact CG-CE 4.07Å; R834-M840 HydrophobicContact CG-SD 3.69Å; R834-M840 PolarHBondContact N-SD 3.2Å; C837-M840 HydrophobicContact CB-CG 3.94Å; C837-M840 HydrophobicContact CB-SD 4.04Å; M840-Y845 HydrophobicContact CE-CD1 3.88Å; M840-Y845 HydrophobicContact CE-CD2 3.62Å; M840-Y845 HydrophobicContact CE-CE1 3.91Å; M840-Y845 HydrophobicContact CE-CE2 3.7Å; M840-Y845 HydrophobicContact CE-CG 3.73Å; M840-D891 HydrophobicContact CG-CB 4.16Å
841	R	86.7	Confident	91	Very high	143 Å²	143	77.1 Å²	77.1	54%	0.54	39%	0.388	S	S	.	.			trans	-78.9	165.2	175.5	-64.9	-166.5	-176.8	179.7	-1.4	111.1	A843 Y845 F895	R841-A843 HydrophobicContact CB-CB 4.44Å; R841-A843 PolarHBondContact O-N 3.15Å; R841-Y845 PolarHBondContact N-OH 3.13Å; R841-Y845 VanDerWaalsContact N-OH 3.11Å; R841-F895 HydrophobicContact CB-CE1 3.91Å; R841-F895 HydrophobicContact CB-CZ 3.88Å; R841-F895 VanDerWaalsContact CD-CZ 3.42Å; R841-F895 HydrophobicContact CG-CE1 4.11Å; R841-F895 HydrophobicContact CG-CE2 4.21Å; R841-F895 HydrophobicContact CG-CZ 3.63Å
842	H	85.9	Confident	90.9	Very high	195 Å²	195	73.9 Å²	73.9	90%	0.903	37%	0.374	S	S	*	.	S	Bend	trans	-74.5	42	170.2	-60.3	-65.2	0	0	0	112.5
843	A	88.1	Confident	91.1	Very high	12 Å²	12	74 Å²	74	10%	0.099	37%	0.374	C	S	.	.	S	Bend	trans	-99.2	165	176.2	0	0	0	0	0	110.7	R841 Y845 D863 V865 F895	R841-A843 HydrophobicContact CB-CB 4.44Å; R841-A843 PolarHBondContact O-N 3.15Å; A843-Y845 HydrophobicContact CB-CD2 4.41Å; A843-Y845 HydrophobicContact CB-CE2 3.95Å; A843-Y845 WeakPolarHBondContact O-CD2 3.43Å; A843-D863 WeakPolarHBondContact CB-O 3.15Å; A843-V865 HydrophobicContact CB-CG2 3.79Å; A843-F895 HydrophobicContact CB-CD1 4.17Å; A843-F895 HydrophobicContact CB-CE1 3.78Å
844	I	90.1	Very high	91.3	Very high	87 Å²	87	71.1 Å²	71.1	45%	0.446	36%	0.357	S	S	.	.			trans	-86.5	113.4	172.5	-58.8	171.6	0	0	0	108	D846 K847	I844-D846 HydrophobicContact CG2-CB 3.87Å; I844-K847 HydrophobicContact CG2-CG 4.32Å
845	Y	94.1	Very high	91.7	Very high	10 Å²	10	65.3 Å²	65.3	4%	0.039	34%	0.342	C	S	.	.			trans	-94.8	-4.7	174.2	-67	-110.2	0	0	0	111.6	K831 P832 M840 R841 A843 K847 L848 V865 D891 F895	K831-Y845 WeakPolarHBondContact CE-O 3.37Å; P832-Y845 HydrophobicContact CB-CD1 4.24Å; P832-Y845 HydrophobicContact CB-CE1 4.21Å; P832-Y845 HydrophobicContact CG-CD1 3.9Å; P832-Y845 HydrophobicContact CG-CE1 3.9Å; M840-Y845 HydrophobicContact CE-CD1 3.88Å; M840-Y845 HydrophobicContact CE-CD2 3.62Å; M840-Y845 HydrophobicContact CE-CE1 3.91Å; M840-Y845 HydrophobicContact CE-CE2 3.7Å; M840-Y845 HydrophobicContact CE-CG 3.73Å; R841-Y845 PolarHBondContact N-OH 3.13Å; R841-Y845 VanDerWaalsContact N-OH 3.11Å; A843-Y845 HydrophobicContact CB-CD2 4.41Å; A843-Y845 HydrophobicContact CB-CE2 3.95Å; A843-Y845 WeakPolarHBondContact O-CD2 3.43Å; Y845-K847 PolarHBondContact O-N 3.13Å; Y845-L848 HydrophobicContact CD1-CD1 4.2Å; Y845-L848 WeakPolarHBondContact O-CB 3.42Å; Y845-L848 PolarHBondContact O-N 3.04Å; Y845-L848 VanDerWaalsContact O-N 3.09Å; Y845-V865 HydrophobicContact CD1-CB 4.19Å; Y845-V865 HydrophobicContact CD1-CG1 4.13Å; Y845-V865 HydrophobicContact CD1-CG2 3.67Å; Y845-V865 HydrophobicContact CD2-CG2 3.91Å; Y845-V865 HydrophobicContact CE1-CB 4.38Å; Y845-V865 HydrophobicContact CE1-CG1 4.11Å; Y845-V865 HydrophobicContact CE1-CG2 3.62Å; Y845-V865 HydrophobicContact CE2-CG2 3.81Å; Y845-V865 HydrophobicContact CG-CG2 3.84Å; Y845-D891 PolarHBondContact OH-OD2 2.94Å; Y845-F895 WeakPolarHBondContact OH-CZ 3.48Å
846	D	93.6	Very high	92.2	Very high	132 Å²	132	62.4 Å²	62.4	71%	0.706	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-21	-177	-56.8	-30.7	0	0	0	113	I844 L848	I844-D846 HydrophobicContact CG2-CB 3.87Å; D846-L848 PolarHBondContact O-N 3.43Å
847	K	95.4	Very high	92.5	Very high	61 Å²	61	62.6 Å²	62.6	27%	0.265	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.5	175.6	-60.6	-175.9	-177.7	-176.1	0	113.3	I844 Y845 I854 V858 R859 D864	I844-K847 HydrophobicContact CG2-CG 4.32Å; Y845-K847 PolarHBondContact O-N 3.13Å; K847-I854 HydrophobicContact CB-CD1 3.89Å; K847-I854 WeakPolarHBondContact O-CG1 3.28Å; K847-V858 HydrophobicContact CD-CG1 4.36Å; K847-R859 PolarHBondContact NZ-O 3.11Å; K847-D864 IonicContact NZ-OD1 3.8Å; K847-D864 IonicContact NZ-OD2 2.89Å; K847-D864 PolarHBondContact NZ-OD2 3.05Å
848	L	96.1	Very high	92.9	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.01	36%	0.359	C	S	.	.	S	Bend	trans	-84.4	138.8	174.4	-57.6	177.3	0	0	0	110.1	K831 Y845 D846 L853 I854 V865	K831-L848 HydrophobicContact CG-CB 4.45Å; K831-L848 PolarHBondContact NZ-O 3.37Å; Y845-L848 HydrophobicContact CD1-CD1 4.2Å; Y845-L848 WeakPolarHBondContact O-CB 3.42Å; Y845-L848 PolarHBondContact O-N 3.04Å; Y845-L848 VanDerWaalsContact O-N 3.09Å; D846-L848 PolarHBondContact O-N 3.43Å; L848-L853 CarbonylContact C-O 3.43Å; L848-L853 WeakPolarHBondContact CA-O 3.41Å; L848-I854 HydrophobicContact CD2-CB 4.35Å; L848-V865 HydrophobicContact CD1-CB 4.3Å; L848-V865 HydrophobicContact CD1-CG1 3.91Å; L848-V865 HydrophobicContact CD2-CG1 4.47Å
849	D	95.4	Very high	93.2	Very high	80 Å²	80	66.5 Å²	66.5	43%	0.428	36%	0.362	S	S	.	.			trans	-75.3	176.8	167.1	-62.4	-30.7	0	0	0	110	D851 G852 L853	D849-D851 WeakPolarHBondContact CB-OD1 3.28Å; D849-D851 PolarHBondContact O-N 2.92Å; D849-G852 PolarHBondContact O-N 3.4Å; D849-L853 PolarHBondContact N-O 2.76Å
850	D	92.6	Very high	93.6	Very high	149 Å²	149	63.7 Å²	63.7	80%	0.797	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.9	-173.5	-63.1	-29.2	0	0	0	113.2	G852	D850-G852 PolarHBondContact O-N 3.45Å
851	D	92.8	Very high	93.8	Very high	77 Å²	77	64.6 Å²	64.6	41%	0.412	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-1.2	173.3	66.5	-10	0	0	0	113.3	F829 D849 L853	F829-D851 CarbonylContact C-O 3.6Å; D849-D851 WeakPolarHBondContact CB-OD1 3.28Å; D849-D851 PolarHBondContact O-N 2.92Å; D851-L853 VanDerWaalsContact C-N 3.28Å; D851-L853 PolarHBondContact O-N 2.88Å; D851-L853 PolarHBondContact OD1-N 3.17Å
852	G	93.9	Very high	93.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	75.8	12.9	-176.9	0	0	0	0	0	113.5	E830 D849 D850 G868	E830-G852 VanDerWaalsContact C-CA 3.46Å; D849-G852 PolarHBondContact O-N 3.4Å; D850-G852 PolarHBondContact O-N 3.45Å; G852-G868 WeakPolarHBondContact O-CA 3.47Å; G852-G868 PolarHBondContact O-N 3.37Å
853	L	96.7	Very high	94	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.031	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-112	166.7	177.6	-56.4	-179.6	0	0	0	110.8	L848 D849 D851 I867 V907 V909 C919	L848-L853 CarbonylContact C-O 3.43Å; L848-L853 WeakPolarHBondContact CA-O 3.41Å; D849-L853 PolarHBondContact N-O 2.76Å; D851-L853 VanDerWaalsContact C-N 3.28Å; D851-L853 PolarHBondContact O-N 2.88Å; D851-L853 PolarHBondContact OD1-N 3.17Å; L853-I867 HydrophobicContact CD2-CB 4.38Å; L853-I867 HydrophobicContact CD2-CG1 4.23Å; L853-I867 HydrophobicContact CD2-CG2 3.87Å; L853-V907 HydrophobicContact CD1-CG1 4.37Å; L853-V909 HydrophobicContact CD1-CG2 3.41Å; L853-V909 VanDerWaalsContact CD1-CG2 3.41Å; L853-C919 HydrophobicContact CD2-CB 4.26Å
854	I	96.6	Very high	94.3	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.015	30%	0.302	C	S	.	.			trans	-105.7	134.5	178	-170.9	161	0	0	0	110.6	K847 L848 V858 V860 I866 V904 V907 I921	K847-I854 HydrophobicContact CB-CD1 3.89Å; K847-I854 WeakPolarHBondContact O-CG1 3.28Å; L848-I854 HydrophobicContact CD2-CB 4.35Å; I854-V858 HydrophobicContact CD1-CB 3.99Å; I854-V858 HydrophobicContact CD1-CG1 3.78Å; I854-V858 HydrophobicContact CG1-CB 3.92Å; I854-V858 HydrophobicContact CG1-CG1 4.14Å; I854-V858 HydrophobicContact CG1-CG2 4.18Å; I854-V860 HydrophobicContact CD1-CG1 3.42Å; I854-V860 VanDerWaalsContact CD1-CG1 3.42Å; I854-I866 HydrophobicContact CG2-CB 4.33Å; I854-V904 HydrophobicContact CD1-CG2 4.14Å; I854-V904 HydrophobicContact CG1-CG2 4.21Å; I854-V904 HydrophobicContact CG2-CG1 4.35Å; I854-V904 HydrophobicContact CG2-CG2 3.78Å; I854-V907 VanDerWaalsContact O-CG2 3.26Å; I854-V907 WeakPolarHBondContact O-CG2 3.41Å; I854-I921 HydrophobicContact CG2-CD1 3.92Å; I854-I921 HydrophobicContact CG2-CG2 4.46Å
855	A	96.8	Very high	94.5	Very high	33 Å²	33	49 Å²	49	27%	0.273	28%	0.28	S	S	.	.			trans	-66	146.6	176.3	0	0	0	0	0	112.9	V858	A855-V858 HydrophobicContact CB-CG2 4.28Å; A855-V858 WeakPolarHBondContact O-CG2 3.39Å
856	P	97.3	Very high	94.6	Very high	76 Å²	76	48.5 Å²	48.5	49%	0.494	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	145.7	168	-24.4	34.7	0	0	0	112.6	V907	P856-V907 HydrophobicContact CG-CB 4.47Å; P856-V907 HydrophobicContact CG-CG2 4.29Å
857	G	95.8	Very high	94.7	Very high	54 Å²	54	42.2 Å²	42.2	56%	0.557	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.8	-12.2	-178.9	0	0	0	0	0	115	I903 V904	G857-I903 WeakPolarHBondContact O-CG2 3.5Å; G857-V904 PolarHBondContact N-O 2.77Å
858	V	97.1	Very high	94.7	Very high	47 Å²	47	39.3 Å²	39.3	29%	0.285	23%	0.232	S	C	.	.			trans	-74	136.5	178.9	-177.4	0	0	0	0	111.3	K847 I854 A855 I903 V904	K847-V858 HydrophobicContact CD-CG1 4.36Å; I854-V858 HydrophobicContact CD1-CB 3.99Å; I854-V858 HydrophobicContact CD1-CG1 3.78Å; I854-V858 HydrophobicContact CG1-CB 3.92Å; I854-V858 HydrophobicContact CG1-CG1 4.14Å; I854-V858 HydrophobicContact CG1-CG2 4.18Å; A855-V858 HydrophobicContact CB-CG2 4.28Å; A855-V858 WeakPolarHBondContact O-CG2 3.39Å; V858-I903 WeakPolarHBondContact O-CA 3.48Å; V858-V904 PolarHBondContact O-N 3.44Å
859	R	96.9	Very high	94.7	Very high	133 Å²	133	39.8 Å²	39.8	50%	0.502	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	123	174.8	179.4	68.3	179.2	144.9	-2.5	110.4	K847 T901 G902	K847-R859 PolarHBondContact NZ-O 3.11Å; R859-T901 PolarHBondContact NH2-OG1 3.22Å; R859-T901 VanDerWaalsContact NH2-OG1 3.14Å; R859-G902 WeakPolarHBondContact CD-O 3.15Å; R859-G902 PolarHBondContact NH1-O 3.21Å
860	V	95.3	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.1	177.9	-66.5	0	0	0	0	111.5	I854 D864 I866 L896 G902 V904 V923	I854-V860 HydrophobicContact CD1-CG1 3.42Å; I854-V860 VanDerWaalsContact CD1-CG1 3.42Å; V860-D864 WeakPolarHBondContact CA-OD2 3.23Å; V860-I866 HydrophobicContact CG1-CG2 4.41Å; V860-L896 HydrophobicContact CB-CD2 4.2Å; V860-L896 HydrophobicContact CG2-CD2 3.93Å; V860-G902 PolarHBondContact N-O 3.39Å; V860-G902 PolarHBondContact O-N 3.27Å; V860-V904 HydrophobicContact CG1-CG2 4Å; V860-V904 HydrophobicContact CG2-CG2 4.28Å; V860-V923 HydrophobicContact CG2-CG1 3.92Å; V860-V923 HydrophobicContact CG2-CG2 4.49Å
861	S	93.8	Very high	94.6	Very high	56 Å²	56	29.1 Å²	29.1	39%	0.392	18%	0.177	S	C	.	.			trans	-128.5	174.9	179.3	-165.1	0	0	0	0	110.4	D864 L896 E900	S861-D864 PolarHBondContact N-OD2 2.8Å; S861-D864 VanDerWaalsContact O-CB 3.31Å; S861-D864 WeakPolarHBondContact O-CB 3.07Å; S861-D864 PolarHBondContact O-N 3.31Å; S861-D864 VanDerWaalsContact O-N 3.16Å; S861-L896 VanDerWaalsContact O-CD2 3.3Å; S861-L896 WeakPolarHBondContact O-CD2 3.13Å; S861-E900 CarbonylContact C-O 3.58Å
862	G	88.1	Confident	94.5	Very high	19 Å²	19	27.9 Å²	27.9	20%	0.196	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	140.3	176	0	0	0	0	0	111.9	D864 T898 E900	G862-D864 PolarHBondContact O-N 3.09Å; G862-T898 WeakPolarHBondContact CA-O 3.3Å; G862-E900 PolarHBondContact N-O 3.28Å; G862-E900 VanDerWaalsContact N-O 3.11Å
863	D	87.5	Confident	94.1	Very high	78 Å²	78	30.4 Å²	30.4	42%	0.417	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	4.2	-177.5	-61	-15.5	0	0	0	116	A843 T898	A843-D863 WeakPolarHBondContact CB-O 3.15Å; D863-T898 PolarHBondContact OD1-OG1 3.43Å
864	D	93.9	Very high	93.4	Very high	13 Å²	13	32.8 Å²	32.8	7%	0.07	20%	0.201	C	C	.	.			trans	-69.5	145.3	167.1	-73.9	-29.4	0	0	0	111.2	K847 V860 S861 G862 F895 L896	K847-D864 IonicContact NZ-OD1 3.8Å; K847-D864 IonicContact NZ-OD2 2.89Å; K847-D864 PolarHBondContact NZ-OD2 3.05Å; V860-D864 WeakPolarHBondContact CA-OD2 3.23Å; S861-D864 PolarHBondContact N-OD2 2.8Å; S861-D864 VanDerWaalsContact O-CB 3.31Å; S861-D864 WeakPolarHBondContact O-CB 3.07Å; S861-D864 PolarHBondContact O-N 3.31Å; S861-D864 VanDerWaalsContact O-N 3.16Å; G862-D864 PolarHBondContact O-N 3.09Å; D864-F895 WeakPolarHBondContact O-CA 3.4Å; D864-L896 PolarHBondContact O-N 3.15Å
865	V	94.9	Very high	92.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133.3	174.9	-163.6	0	0	0	0	109.4	A843 Y845 L848 F895	A843-V865 HydrophobicContact CB-CG2 3.79Å; Y845-V865 HydrophobicContact CD1-CB 4.19Å; Y845-V865 HydrophobicContact CD1-CG1 4.13Å; Y845-V865 HydrophobicContact CD1-CG2 3.67Å; Y845-V865 HydrophobicContact CD2-CG2 3.91Å; Y845-V865 HydrophobicContact CE1-CB 4.38Å; Y845-V865 HydrophobicContact CE1-CG1 4.11Å; Y845-V865 HydrophobicContact CE1-CG2 3.62Å; Y845-V865 HydrophobicContact CE2-CG2 3.81Å; Y845-V865 HydrophobicContact CG-CG2 3.84Å; L848-V865 HydrophobicContact CD1-CB 4.3Å; L848-V865 HydrophobicContact CD1-CG1 3.91Å; L848-V865 HydrophobicContact CD2-CG1 4.47Å; V865-F895 HydrophobicContact CG2-CD1 3.79Å; V865-F895 HydrophobicContact CG2-CE1 3.48Å; V865-F895 VanDerWaalsContact CG2-CE1 3.48Å; V865-F895 HydrophobicContact CG2-CZ 4.35Å
866	I	95.7	Very high	90.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-26.8	176.9	54.8	169.5	0	0	0	112.5	Y814 I854 V860 T894 L896 I921	Y814-I866 HydrophobicContact CD1-CD1 3.79Å; Y814-I866 HydrophobicContact CD2-CD1 3.49Å; Y814-I866 VanDerWaalsContact CD2-CD1 3.49Å; Y814-I866 HydrophobicContact CE1-CD1 4.29Å; Y814-I866 HydrophobicContact CE2-CD1 4.06Å; Y814-I866 HydrophobicContact CG-CD1 3.34Å; I854-I866 HydrophobicContact CG2-CB 4.33Å; V860-I866 HydrophobicContact CG1-CG2 4.41Å; I866-T894 WeakPolarHBondContact CG1-O 3.35Å; I866-T894 PolarHBondContact N-O 2.78Å; I866-T894 VanDerWaalsContact N-O 3.12Å; I866-L896 HydrophobicContact CG2-CB 4.47Å; I866-I921 HydrophobicContact CB-CD1 4.46Å; I866-I921 WeakPolarHBondContact O-CD1 3.32Å
867	I	96.6	Very high	88.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	108.6	175.2	-54.8	173.2	0	0	0	107.4	E816 F829 L853 K869 S893 T894 I921	E816-I867 HydrophobicContact CB-CD1 3.6Å; E816-I867 HydrophobicContact CB-CG2 4.27Å; E816-I867 HydrophobicContact CG-CG2 4.35Å; F829-I867 HydrophobicContact CD1-CG2 3.6Å; F829-I867 HydrophobicContact CE1-CG2 3.49Å; F829-I867 VanDerWaalsContact CE1-CG2 3.49Å; F829-I867 HydrophobicContact CZ-CG2 4.4Å; L853-I867 HydrophobicContact CD2-CB 4.38Å; L853-I867 HydrophobicContact CD2-CG1 4.23Å; L853-I867 HydrophobicContact CD2-CG2 3.87Å; I867-K869 PolarHBondContact O-N 3.23Å; I867-S893 CarbonylContact O-C 3.57Å; I867-S893 VanDerWaalsContact O-CA 3.24Å; I867-S893 WeakPolarHBondContact O-CA 3.37Å; I867-S893 WeakPolarHBondContact O-CB 3.27Å; I867-T894 WeakPolarHBondContact CB-OG1 3.46Å; I867-T894 PolarHBondContact N-O 3.02Å; I867-T894 PolarHBondContact O-N 2.95Å; I867-I921 HydrophobicContact CD1-CD1 4.12Å; I867-I921 HydrophobicContact CD1-CG1 4.26Å; I867-I921 HydrophobicContact CG1-CD1 3.54Å; I867-I921 HydrophobicContact CG1-CG1 4.23Å
868	G	96.2	Very high	86.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.283	C	S	.	.			trans	-68.9	115.7	166.6	0	0	0	0	0	110.1	F829 E830 G852 S893	F829-G868 WeakPolarHBondContact CA-O 3.33Å; E830-G868 PolarHBondContact N-O 2.74Å; E830-G868 CarbonylContact O-C 3.48Å; G852-G868 WeakPolarHBondContact O-CA 3.47Å; G852-G868 PolarHBondContact O-N 3.37Å; G868-S893 WeakPolarHBondContact CA-OG 3.42Å
869	K	95.2	Very high	84.4	Confident	12 Å²	12	58.9 Å²	58.9	5%	0.052	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128	176.7	-173.3	171.3	70.9	162.5	0	109.5	E816 E827 V828 F829 I867 C892 S893	E816-K869 VanDerWaalsContact CD-NZ 3.34Å; E816-K869 HydrophobicContact CG-CD 4.03Å; E816-K869 IonicContact OE1-NZ 3.85Å; E816-K869 PolarHBondContact OE1-NZ 3.07Å; E827-K869 HydrophobicContact CB-CD 4.24Å; E827-K869 HydrophobicContact CB-CG 4.44Å; E827-K869 IonicContact OE2-NZ 3.63Å; E827-K869 PolarHBondContact OE2-NZ 3.09Å; V828-K869 WeakPolarHBondContact O-CA 3.35Å; F829-K869 HydrophobicContact CD1-CB 4.14Å; F829-K869 HydrophobicContact CD1-CD 4.39Å; F829-K869 HydrophobicContact CD1-CG 4.23Å; F829-K869 HydrophobicContact CE1-CB 4.33Å; F829-K869 HydrophobicContact CE1-CD 3.95Å; F829-K869 HydrophobicContact CE1-CG 4.27Å; I867-K869 PolarHBondContact O-N 3.23Å; K869-C892 WeakPolarHBondContact CE-O 3.49Å; K869-C892 CarbonylContact O-C 3.51Å; K869-C892 WeakPolarHBondContact O-CA 3.48Å; K869-C892 PolarHBondContact O-N 3.26Å; K869-S893 PolarHBondContact N-OG 2.79Å; K869-S893 PolarHBondContact O-N 3.12Å
870	T	93.6	Very high	82.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	153.6	177.2	67	0	0	0	0	109.9	E827 V828 E830 P832 R890	E827-T870 VanDerWaalsContact CA-O 3.27Å; E827-T870 WeakPolarHBondContact CA-O 3.44Å; V828-T870 WeakPolarHBondContact CG1-OG1 3.26Å; V828-T870 PolarHBondContact N-O 2.79Å; V828-T870 PolarHBondContact O-N 3.48Å; E830-T870 VanDerWaalsContact CD-OG1 3.26Å; E830-T870 HydrophobicContact CG-CG2 3.81Å; E830-T870 WeakPolarHBondContact CG-OG1 3.17Å; E830-T870 WeakPolarHBondContact OE1-CB 3.3Å; E830-T870 WeakPolarHBondContact OE1-CG2 3.46Å; E830-T870 PolarHBondContact OE1-OG1 2.66Å; P832-T870 HydrophobicContact CB-CG2 4Å; P832-T870 HydrophobicContact CG-CG2 3.92Å; T870-R890 CarbonylContact C-O 3.55Å; T870-R890 WeakPolarHBondContact CA-O 3.43Å
871	V	93.2	Very high	79.8	Confident	5 Å²	5	67.8 Å²	67.8	3%	0.03	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.1	170.3	63.9	0	0	0	0	108.7	Q825 E827 K889 R890	Q825-V871 HydrophobicContact CB-CG2 4.36Å; E827-V871 HydrophobicContact CG-CB 4.13Å; E827-V871 HydrophobicContact CG-CG2 4.04Å; V871-K889 CarbonylContact O-C 3.55Å; V871-K889 WeakPolarHBondContact O-CA 3.37Å; V871-R890 HydrophobicContact CG1-CB 3.82Å; V871-R890 PolarHBondContact N-O 3.45Å; V871-R890 PolarHBondContact O-N 3.15Å
872	T	90.6	Very high	77.6	Confident	51 Å²	51	71.1 Å²	71.1	31%	0.313	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	139.3	175.7	-167.6	0	0	0	0	111	D824 E826	D824-T872 WeakPolarHBondContact O-CG2 3.4Å; E826-T872 PolarHBondContact O-N 3.09Å
873	L	85.4	Confident	75.8	Confident	53 Å²	53	76.4 Å²	76.4	28%	0.277	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-85.9	135.3	177.1	-72.8	166.6	0	0	0	109.4	T888 R890	L873-T888 PolarHBondContact N-O 2.84Å; L873-T888 VanDerWaalsContact N-O 3.1Å; L873-R890 HydrophobicContact CD1-CB 4.45Å; L873-R890 HydrophobicContact CD2-CB 4.12Å; L873-R890 HydrophobicContact CG-CB 4.22Å
874	P	80.3	Confident	74.1	Confident	55 Å²	55	80.4 Å²	80.4	36%	0.357	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-67.3	148.1	179.1	30.3	-35.4	0	0	0	110.8	N876	P874-N876 PolarHBondContact O-N 2.93Å
875	E	69.4	Low	72.4	Confident	163 Å²	163	85.8 Å²	85.8	76%	0.762	45%	0.446	S	S	*	.			trans	-78	99	170.1	-53.4	-158.4	134.3	0	0	109.1	R885	E875-R885 VanDerWaalsContact CG-NH1 3.33Å; E875-R885 IonicContact OE1-NH1 3.83Å
876	N	62.1	Low	71.2	Confident	96 Å²	96	94.8 Å²	94.8	51%	0.513	48%	0.48	S	S	.	.			trans	-76.5	126.8	171.4	-78.3	-10.8	0	0	0	109.9	P874 D878 R885	P874-N876 PolarHBondContact O-N 2.93Å; N876-D878 VanDerWaalsContact C-N 3.34Å; N876-R885 PolarHBondContact O-NH2 3.25Å
877	E	55.9	Low	70.5	Confident	198 Å²	198	98.2 Å²	98.2	93%	0.925	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-16.9	174.1	-69.6	-176.9	155.5	0	0	113	E879	E877-E879 PolarHBondContact O-N 2.91Å
878	D	54.1	Low	70	Confident	160 Å²	160	102.1 Å²	102.1	86%	0.856	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.8	-174.4	-77.8	-31.4	0	0	0	115.4	N876 L880	N876-D878 VanDerWaalsContact C-N 3.34Å; D878-L880 PolarHBondContact O-N 3.24Å
879	E	53.3	Low	69.7	Low	144 Å²	144	104.7 Å²	104.7	67%	0.673	53%	0.528	S	S	*	.	S	Bend	trans	-86	88.9	173.1	-73.4	-173.6	168.8	0	0	110	E877 E881	E877-E879 PolarHBondContact O-N 2.91Å; E879-E881 PolarHBondContact O-N 3.19Å; E879-E881 VanDerWaalsContact O-N 3.14Å
880	L	48.7	Very low	69.6	Low	159 Å²	159	109.7 Å²	109.7	83%	0.832	55%	0.547	S	S	*	.			trans	-47.6	116.8	170.3	-96.8	133.9	0	0	0	111.5	D878	D878-L880 PolarHBondContact O-N 3.24Å
881	E	47.9	Very low	69.5	Low	162 Å²	162	110.6 Å²	110.6	76%	0.757	55%	0.552	S	S	*	*	S	Bend	trans	44.1	121.4	156.8	-66.9	-176.7	157.9	0	0	119.3	E879	E879-E881 PolarHBondContact O-N 3.19Å; E879-E881 VanDerWaalsContact O-N 3.14Å
882	S	47.5	Very low	69.5	Low	126 Å²	126	112.1 Å²	112.1	88%	0.881	56%	0.562	S	S	*	*			trans	80.2	29.9	142.6	77.7	0	0	0	0	120.3
883	T	50.7	Low	69.7	Low	129 Å²	129	110.3 Å²	110.3	79%	0.791	55%	0.552	S	S	*	*			trans	-107.2	116	158.5	-20.1	0	0	0	0	109.4	R885	T883-R885 PolarHBondContact O-N 3.06Å
884	N	50.6	Low	70.1	Confident	162 Å²	162	109 Å²	109	87%	0.866	55%	0.546	S	S	*	.			trans	-47.9	116.1	173.5	-84.6	-21.4	0	0	0	109.5	R886	N884-R886 VanDerWaalsContact C-N 3.31Å; N884-R886 PolarHBondContact O-N 3.09Å
885	R	59.2	Low	70.7	Confident	127 Å²	127	107.9 Å²	107.9	48%	0.479	54%	0.536	S	S	.	.			trans	-62.5	95.7	172.2	-84.8	-172.7	176.5	159.2	5.8	108.3	E875 N876 T883 Y887	E875-R885 VanDerWaalsContact CG-NH1 3.33Å; E875-R885 IonicContact OE1-NH1 3.83Å; N876-R885 PolarHBondContact O-NH2 3.25Å; T883-R885 PolarHBondContact O-N 3.06Å; R885-Y887 VanDerWaalsContact C-N 3.26Å; R885-Y887 PolarHBondContact O-N 3.04Å
886	R	69.8	Low	71.8	Confident	189 Å²	189	100.3 Å²	100.3	71%	0.713	50%	0.5	S	S	*	.			trans	-68.2	-26.9	-178.3	-174.4	175.2	174.4	179	-1.2	112.5	E835 N884	E835-R886 VanDerWaalsContact O-O 3.09Å; N884-R886 VanDerWaalsContact C-N 3.31Å; N884-R886 PolarHBondContact O-N 3.09Å
887	Y	80.6	Confident	73	Confident	72 Å²	72	101 Å²	101	28%	0.282	50%	0.495	S	S	.	.			trans	-132	138.9	-175.4	-53.1	-67	0	0	0	110.8	R834 T836 Q838 R885	R834-Y887 WeakPolarHBondContact O-CE1 3.49Å; T836-Y887 WeakPolarHBondContact O-CA 3.04Å; Q838-Y887 HydrophobicContact CB-CD2 3.93Å; Q838-Y887 HydrophobicContact CB-CG 3.89Å; Q838-Y887 HydrophobicContact CG-CD2 4.01Å; Q838-Y887 HydrophobicContact CG-CG 4.48Å; R885-Y887 VanDerWaalsContact C-N 3.26Å; R885-Y887 PolarHBondContact O-N 3.04Å
888	T	86.1	Confident	74.4	Confident	81 Å²	81	96.4 Å²	96.4	50%	0.497	48%	0.481	S	S	.	.	S	Bend	trans	-105.5	-25.7	-179.6	51.5	0	0	0	0	112.5	T836 L873	T836-T888 PolarHBondContact O-N 3.43Å; L873-T888 PolarHBondContact N-O 2.84Å; L873-T888 VanDerWaalsContact N-O 3.1Å
889	K	90.1	Very high	75.9	Confident	54 Å²	54	91.7 Å²	91.7	24%	0.235	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	164.4	-179.3	-58.7	-172	-173.3	-173.7	0	110.8	E830 T836 C837 Q838 V871	E830-K889 WeakPolarHBondContact OE1-CD 3.4Å; E830-K889 WeakPolarHBondContact OE1-CE 3.36Å; E830-K889 IonicContact OE1-NZ 3.21Å; E830-K889 PolarHBondContact OE1-NZ 2.81Å; E830-K889 IonicContact OE2-NZ 2.73Å; E830-K889 PolarHBondContact OE2-NZ 3.12Å; T836-K889 PolarHBondContact O-N 3.48Å; T836-K889 VanDerWaalsContact O-N 3.11Å; C837-K889 CarbonylContact C-O 3.23Å; C837-K889 WeakPolarHBondContact CA-O 3.45Å; Q838-K889 PolarHBondContact N-O 3.14Å; V871-K889 CarbonylContact O-C 3.55Å; V871-K889 WeakPolarHBondContact O-CA 3.37Å
890	R	91.8	Very high	77.4	Confident	117 Å²	117	85.6 Å²	85.6	44%	0.442	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.9	172.2	-177.2	-178.4	70.2	-169.6	-1.9	110.1	Q838 T870 V871 L873	Q838-R890 WeakPolarHBondContact O-CA 3.32Å; T870-R890 CarbonylContact C-O 3.55Å; T870-R890 WeakPolarHBondContact CA-O 3.43Å; V871-R890 HydrophobicContact CG1-CB 3.82Å; V871-R890 PolarHBondContact N-O 3.45Å; V871-R890 PolarHBondContact O-N 3.15Å; L873-R890 HydrophobicContact CD1-CB 4.45Å; L873-R890 HydrophobicContact CD2-CB 4.12Å; L873-R890 HydrophobicContact CG-CB 4.22Å
891	D	93.1	Very high	79.5	Confident	19 Å²	19	81 Å²	81	10%	0.102	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.5	176.1	-174.8	15.6	0	0	0	111.6	Q838 M840 Y845 S893	Q838-D891 PolarHBondContact O-N 3.27Å; M840-D891 HydrophobicContact CG-CB 4.16Å; Y845-D891 PolarHBondContact OH-OD2 2.94Å; D891-S893 WeakPolarHBondContact OD1-CB 3.3Å; D891-S893 PolarHBondContact OD1-N 2.74Å; D891-S893 PolarHBondContact OD1-OG 3.03Å
892	C	92.8	Very high	81.8	Confident	37 Å²	37	73.4 Å²	73.4	25%	0.25	38%	0.375	C	S	.	.			trans	-130.6	25	174.1	-69.8	0	0	0	0	111.3	K869	K869-C892 WeakPolarHBondContact CE-O 3.49Å; K869-C892 CarbonylContact O-C 3.51Å; K869-C892 WeakPolarHBondContact O-CA 3.48Å; K869-C892 PolarHBondContact O-N 3.26Å
893	S	94.6	Very high	84.1	Confident	13 Å²	13	69.6 Å²	69.6	9%	0.091	35%	0.345	C	S	.	.			trans	-61.3	154.8	-177.2	-61.6	0	0	0	0	113.2	I867 G868 K869 D891 F895	I867-S893 CarbonylContact O-C 3.57Å; I867-S893 VanDerWaalsContact O-CA 3.24Å; I867-S893 WeakPolarHBondContact O-CA 3.37Å; I867-S893 WeakPolarHBondContact O-CB 3.27Å; G868-S893 WeakPolarHBondContact CA-OG 3.42Å; K869-S893 PolarHBondContact N-OG 2.79Å; K869-S893 PolarHBondContact O-N 3.12Å; D891-S893 WeakPolarHBondContact OD1-CB 3.3Å; D891-S893 PolarHBondContact OD1-N 2.74Å; D891-S893 PolarHBondContact OD1-OG 3.03Å; S893-F895 WeakPolarHBondContact O-CE2 3.32Å
894	T	94	Very high	86.4	Confident	25 Å²	25	63.5 Å²	63.5	15%	0.153	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.2	173	71.3	0	0	0	0	111.4	E816 I866 I867	E816-T894 HydrophobicContact CB-CG2 4.36Å; E816-T894 HydrophobicContact CG-CG2 3.98Å; E816-T894 WeakPolarHBondContact OE2-CG2 3.42Å; I866-T894 WeakPolarHBondContact CG1-O 3.35Å; I866-T894 PolarHBondContact N-O 2.78Å; I866-T894 VanDerWaalsContact N-O 3.12Å; I867-T894 WeakPolarHBondContact CB-OG1 3.46Å; I867-T894 PolarHBondContact N-O 3.02Å; I867-T894 PolarHBondContact O-N 2.95Å
895	F	93.4	Very high	88.6	Confident	33 Å²	33	57.8 Å²	57.8	15%	0.145	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	150.5	-177.5	-58.2	-94.8	0	0	0	110.1	R841 A843 Y845 D864 V865 S893	R841-F895 HydrophobicContact CB-CE1 3.91Å; R841-F895 HydrophobicContact CB-CZ 3.88Å; R841-F895 VanDerWaalsContact CD-CZ 3.42Å; R841-F895 HydrophobicContact CG-CE1 4.11Å; R841-F895 HydrophobicContact CG-CE2 4.21Å; R841-F895 HydrophobicContact CG-CZ 3.63Å; A843-F895 HydrophobicContact CB-CD1 4.17Å; A843-F895 HydrophobicContact CB-CE1 3.78Å; Y845-F895 WeakPolarHBondContact OH-CZ 3.48Å; D864-F895 WeakPolarHBondContact O-CA 3.4Å; V865-F895 HydrophobicContact CG2-CD1 3.79Å; V865-F895 HydrophobicContact CG2-CE1 3.48Å; V865-F895 VanDerWaalsContact CG2-CE1 3.48Å; V865-F895 HydrophobicContact CG2-CZ 4.35Å; S893-F895 WeakPolarHBondContact O-CE2 3.32Å
896	L	91.7	Very high	90.3	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.016	27%	0.266	C	S	.	.			trans	-62.3	147.7	164.7	-161.6	74.1	0	0	0	109.2	Y814 V860 S861 D864 I866 T898 E900 V923	Y814-L896 HydrophobicContact CE2-CD1 3.55Å; Y814-L896 WeakPolarHBondContact OH-CD1 3.44Å; V860-L896 HydrophobicContact CB-CD2 4.2Å; V860-L896 HydrophobicContact CG2-CD2 3.93Å; S861-L896 VanDerWaalsContact O-CD2 3.3Å; S861-L896 WeakPolarHBondContact O-CD2 3.13Å; D864-L896 PolarHBondContact O-N 3.15Å; I866-L896 HydrophobicContact CG2-CB 4.47Å; L896-T898 PolarHBondContact O-N 3.41Å; L896-E900 HydrophobicContact CD2-CB 4.39Å; L896-E900 VanDerWaalsContact CD2-O 3.29Å; L896-E900 WeakPolarHBondContact CD2-O 3.35Å; L896-E900 HydrophobicContact CG-CB 4.36Å; L896-V923 HydrophobicContact CD1-CG1 4.45Å; L896-V923 HydrophobicContact CD1-CG2 4.18Å
897	R	87.5	Confident	91.6	Very high	111 Å²	111	47.2 Å²	47.2	42%	0.419	24%	0.244	S	C	.	.			trans	-64.6	137.4	175.6	-73.4	173.7	175	-162.4	-0.7	109.2	Y814 S899 E900	Y814-R897 PolarHBondContact OH-N 3Å; R897-S899 PolarHBondContact O-N 2.97Å; R897-S899 VanDerWaalsContact O-N 3.09Å; R897-E900 HydrophobicContact CB-CB 4.27Å; R897-E900 HydrophobicContact CB-CG 3.99Å; R897-E900 WeakPolarHBondContact CD-OE1 3.48Å; R897-E900 PolarHBondContact O-N 2.83Å
898	T	85.1	Confident	92.3	Very high	101 Å²	101	45.2 Å²	45.2	62%	0.62	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.9	-174.3	-44.5	0	0	0	0	114.2	G862 D863 L896 E900	G862-T898 WeakPolarHBondContact CA-O 3.3Å; D863-T898 PolarHBondContact OD1-OG1 3.43Å; L896-T898 PolarHBondContact O-N 3.41Å; T898-E900 VanDerWaalsContact C-N 3.34Å
899	S	84.5	Confident	92.8	Very high	61 Å²	61	45 Å²	45	43%	0.427	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	0.9	179.7	47.7	0	0	0	0	114.4	R897 R1078	R897-S899 PolarHBondContact O-N 2.97Å; R897-S899 VanDerWaalsContact O-N 3.09Å; S899-R1078 PolarHBondContact OG-NH2 3.11Å
900	E	86.4	Confident	93	Very high	17 Å²	17	44.1 Å²	44.1	8%	0.079	24%	0.235	C	C	.	.			trans	-106.8	140	-177	-65.4	-177.1	-173.7	0	0	110.1	R812 Y814 S861 G862 L896 R897 T898	R812-E900 WeakPolarHBondContact CD-OE2 3.49Å; R812-E900 IonicContact CZ-OE1 3.9Å; R812-E900 IonicContact CZ-OE2 3.75Å; R812-E900 IonicContact NE-OE1 3.29Å; R812-E900 PolarHBondContact NE-OE1 3.26Å; R812-E900 IonicContact NE-OE2 2.82Å; R812-E900 PolarHBondContact NE-OE2 3.35Å; R812-E900 IonicContact NH2-OE1 3.07Å; R812-E900 PolarHBondContact NH2-OE1 3.31Å; Y814-E900 PolarHBondContact OH-OE2 3.03Å; S861-E900 CarbonylContact C-O 3.58Å; G862-E900 PolarHBondContact N-O 3.28Å; G862-E900 VanDerWaalsContact N-O 3.11Å; L896-E900 HydrophobicContact CD2-CB 4.39Å; L896-E900 VanDerWaalsContact CD2-O 3.29Å; L896-E900 WeakPolarHBondContact CD2-O 3.35Å; L896-E900 HydrophobicContact CG-CB 4.36Å; R897-E900 HydrophobicContact CB-CB 4.27Å; R897-E900 HydrophobicContact CB-CG 3.99Å; R897-E900 WeakPolarHBondContact CD-OE1 3.48Å; R897-E900 PolarHBondContact O-N 2.83Å; T898-E900 VanDerWaalsContact C-N 3.34Å
901	T	92.6	Very high	92.9	Very high	63 Å²	63	42.8 Å²	42.8	39%	0.387	24%	0.236	S	C	.	.			trans	-135.5	143.6	169.7	74.8	0	0	0	0	107.5	R859 S925	R859-T901 PolarHBondContact NH2-OG1 3.22Å; R859-T901 VanDerWaalsContact NH2-OG1 3.14Å; T901-S925 WeakPolarHBondContact O-CB 3.38Å
902	G	94.8	Very high	92.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	-172.1	-177.4	0	0	0	0	0	113	R859 V860 R924	R859-G902 WeakPolarHBondContact CD-O 3.15Å; R859-G902 PolarHBondContact NH1-O 3.21Å; V860-G902 PolarHBondContact N-O 3.39Å; V860-G902 PolarHBondContact O-N 3.27Å; G902-R924 CarbonylContact C-O 3.53Å; G902-R924 WeakPolarHBondContact CA-O 3.31Å
903	I	97.5	Very high	92.2	Very high	47 Å²	47	45.6 Å²	45.6	24%	0.241	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.7	168.9	-64	171.7	0	0	0	105.9	G857 V858 D905 R924	G857-I903 WeakPolarHBondContact O-CG2 3.5Å; V858-I903 WeakPolarHBondContact O-CA 3.48Å; I903-D905 PolarHBondContact O-N 2.75Å; I903-R924 HydrophobicContact CB-CG 4.44Å; I903-R924 PolarHBondContact N-O 2.95Å; I903-R924 WeakPolarHBondContact O-CG 3.21Å; I903-R924 PolarHBondContact O-N 3.12Å
904	V	97.4	Very high	91.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	124.3	173.6	-176.4	0	0	0	0	108	I854 G857 V858 V860 V907 I921	I854-V904 HydrophobicContact CD1-CG2 4.14Å; I854-V904 HydrophobicContact CG1-CG2 4.21Å; I854-V904 HydrophobicContact CG2-CG1 4.35Å; I854-V904 HydrophobicContact CG2-CG2 3.78Å; G857-V904 PolarHBondContact N-O 2.77Å; V858-V904 PolarHBondContact O-N 3.44Å; V860-V904 HydrophobicContact CG1-CG2 4Å; V860-V904 HydrophobicContact CG2-CG2 4.28Å; V904-V907 HydrophobicContact CG1-CG2 3.84Å; V904-I921 HydrophobicContact CG1-CG2 3.88Å
905	D	97.1	Very high	91.2	Very high	42 Å²	42	49.8 Å²	49.8	23%	0.225	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-52.3	-174.6	-173.7	49.6	0	0	0	111.1	Y811 I903 R922 R924	Y811-D905 WeakPolarHBondContact CE1-OD2 3.41Å; I903-D905 PolarHBondContact O-N 2.75Å; D905-R922 HydrophobicContact CB-CB 4.45Å; D905-R922 HydrophobicContact CB-CG 4.46Å; D905-R922 WeakPolarHBondContact CB-O 3.49Å; D905-R922 PolarHBondContact N-O 3.25Å; D905-R922 IonicContact OD2-CZ 2.75Å; D905-R922 IonicContact OD2-NE 3.58Å; D905-R922 PolarHBondContact OD2-NE 3.2Å; D905-R922 IonicContact OD2-NH2 3Å; D905-R922 PolarHBondContact OD2-NH2 2.98Å; D905-R924 HydrophobicContact CB-CB 4.13Å; D905-R924 HydrophobicContact CB-CG 3.99Å; D905-R924 WeakPolarHBondContact OD1-CD 3.18Å; D905-R924 IonicContact OD1-NE 2.69Å
906	Q	96.1	Very high	91.1	Very high	54 Å²	54	52.2 Å²	52.2	25%	0.252	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	151.6	175.1	48.8	170.5	15.9	0	0	111.2	H741 M744 R922	H741-Q906 PolarHBondContact O-NE2 2.82Å; H741-Q906 VanDerWaalsContact O-NE2 3.12Å; M744-Q906 HydrophobicContact CE-CB 4.16Å; M744-Q906 HydrophobicContact CE-CG 3.44Å; M744-Q906 VanDerWaalsContact CE-CG 3.44Å; M744-Q906 HydrophobicContact SD-CG 3.98Å; M744-Q906 PolarHBondContact SD-NE2 3.12Å; Q906-R922 HydrophobicContact CG-CB 4.07Å; Q906-R922 PolarHBondContact N-O 2.8Å; Q906-R922 VanDerWaalsContact NE2-NH2 3.12Å; Q906-R922 PolarHBondContact O-N 3.31Å
907	V	96.8	Very high	91.2	Very high	40 Å²	40	56 Å²	56	24%	0.242	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.3	175.9	176.9	0	0	0	0	108.3	L853 I854 P856 V904 V909 I921	L853-V907 HydrophobicContact CD1-CG1 4.37Å; I854-V907 VanDerWaalsContact O-CG2 3.26Å; I854-V907 WeakPolarHBondContact O-CG2 3.41Å; P856-V907 HydrophobicContact CG-CB 4.47Å; P856-V907 HydrophobicContact CG-CG2 4.29Å; V904-V907 HydrophobicContact CG1-CG2 3.84Å; V907-V909 HydrophobicContact CG1-CG2 4.31Å; V907-I921 HydrophobicContact CB-CG1 4.48Å; V907-I921 HydrophobicContact CG1-CD1 4.47Å; V907-I921 HydrophobicContact CG1-CG1 4.06Å; V907-I921 HydrophobicContact CG2-CB 4.38Å; V907-I921 HydrophobicContact CG2-CD1 4.17Å; V907-I921 HydrophobicContact CG2-CG1 3.92Å; V907-I921 HydrophobicContact CG2-CG2 4.07Å
908	M	95.6	Very high	91.5	Very high	30 Å²	30	50.9 Å²	50.9	15%	0.148	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.8	170	65.7	171.8	-71.2	0	0	109.7	L115 M744 T910 C919 K920	L115-M908 HydrophobicContact CB-CE 3.73Å; L115-M908 HydrophobicContact CB-SD 4.12Å; L115-M908 HydrophobicContact CD2-SD 3.82Å; L115-M908 HydrophobicContact CG-SD 4.46Å; M744-M908 HydrophobicContact CB-SD 4.45Å; M744-M908 HydrophobicContact CE-CB 4.01Å; M744-M908 HydrophobicContact CE-CG 3.83Å; M744-M908 HydrophobicContact CE-SD 4.23Å; M744-M908 HydrophobicContact CG-SD 3.82Å; M908-T910 HydrophobicContact CE-CG2 3.66Å; M908-C919 WeakPolarHBondContact O-CA 3.43Å; M908-K920 HydrophobicContact CG-CB 3.57Å; M908-K920 HydrophobicContact CG-CG 4.35Å; M908-K920 WeakPolarHBondContact CG-O 3.24Å; M908-K920 PolarHBondContact N-O 2.77Å; M908-K920 PolarHBondContact O-N 3.11Å; M908-K920 HydrophobicContact SD-CB 3.86Å; M908-K920 HydrophobicContact SD-CD 3.71Å; M908-K920 HydrophobicContact SD-CG 4.15Å
909	V	95.8	Very high	92	Very high	75 Å²	75	46.1 Å²	46.1	46%	0.455	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.7	171.2	-175.3	0	0	0	0	107.1	L853 V907 K917 F918	L853-V909 HydrophobicContact CD1-CG2 3.41Å; L853-V909 VanDerWaalsContact CD1-CG2 3.41Å; V907-V909 HydrophobicContact CG1-CG2 4.31Å; V909-K917 HydrophobicContact CG1-CD 3.93Å; V909-K917 HydrophobicContact CG1-CG 3.67Å; V909-F918 WeakPolarHBondContact CA-O 3.43Å
910	T	94.3	Very high	92.5	Very high	36 Å²	36	43.6 Å²	43.6	22%	0.221	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	-174.5	-178.1	-169.3	0	0	0	0	109.8	R116 M908 F918	R116-T910 HydrophobicContact CG-CG2 4.02Å; M908-T910 HydrophobicContact CE-CG2 3.66Å; T910-F918 HydrophobicContact CG2-CB 4.17Å; T910-F918 HydrophobicContact CG2-CD1 3.64Å; T910-F918 HydrophobicContact CG2-CG 4.39Å; T910-F918 PolarHBondContact N-O 3.01Å; T910-F918 PolarHBondContact O-N 2.86Å
911	L	90.6	Very high	93	Very high	89 Å²	89	42.8 Å²	42.8	47%	0.466	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.5	175.3	-60.2	176.1	0	0	0	109.8	R116 Y916	R116-L911 PolarHBondContact NE-O 3.39Å; R116-L911 VanDerWaalsContact NE-O 3.12Å; R116-L911 PolarHBondContact NH2-O 3.47Å; L911-Y916 WeakPolarHBondContact CA-O 2.95Å
912	N	87.4	Confident	93.2	Very high	14 Å²	14	40.2 Å²	40.2	8%	0.075	21%	0.207	C	C	.	.			trans	-76.4	176.1	169.4	70.5	11.1	0	0	0	111	E914 G915 Y916 F918	N912-E914 PolarHBondContact O-N 3.21Å; N912-E914 VanDerWaalsContact O-N 3.14Å; N912-E914 WeakPolarHBondContact OD1-CA 3.24Å; N912-E914 WeakPolarHBondContact OD1-CB 3.08Å; N912-E914 PolarHBondContact OD1-N 3.46Å; N912-G915 PolarHBondContact O-N 3.13Å; N912-G915 PolarHBondContact OD1-N 3.11Å; N912-Y916 PolarHBondContact N-O 2.94Å; N912-Y916 PolarHBondContact OD1-N 3.09Å; N912-Y916 PolarHBondContact OD1-O 3.35Å; N912-F918 HydrophobicContact CB-CB 4.33Å
913	Q	84.1	Confident	93.3	Very high	101 Å²	101	40.6 Å²	40.6	47%	0.472	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24	176.2	61.3	172.1	36.1	0	0	113.8	L118 G915	L118-Q913 HydrophobicContact CD2-CB 3.77Å; Q913-G915 VanDerWaalsContact C-N 3.32Å
914	E	82.4	Confident	93.3	Very high	96 Å²	96	42.2 Å²	42.2	45%	0.449	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-1.2	179.9	-54.8	-58.2	148	0	0	111.8	R101 N912 Y916	R101-E914 VanDerWaalsContact CZ-O 3.26Å; R101-E914 PolarHBondContact NE-O 3.21Å; R101-E914 PolarHBondContact NH2-O 3.15Å; N912-E914 PolarHBondContact O-N 3.21Å; N912-E914 VanDerWaalsContact O-N 3.14Å; N912-E914 WeakPolarHBondContact OD1-CA 3.24Å; N912-E914 WeakPolarHBondContact OD1-CB 3.08Å; N912-E914 PolarHBondContact OD1-N 3.46Å; E914-Y916 VanDerWaalsContact C-N 3.33Å; E914-Y916 HydrophobicContact CB-CD2 3.67Å; E914-Y916 HydrophobicContact CB-CE2 3.92Å
915	G	85.3	Confident	93.2	Very high	30 Å²	30	43 Å²	43	31%	0.309	22%	0.218	S	C	.	.	S	Bend	trans	78.1	9.5	-176.8	0	0	0	0	0	115	N912 Q913	N912-G915 PolarHBondContact O-N 3.13Å; N912-G915 PolarHBondContact OD1-N 3.11Å; Q913-G915 VanDerWaalsContact C-N 3.32Å
916	Y	90.4	Very high	93.1	Very high	84 Å²	84	44 Å²	44	33%	0.329	23%	0.226	S	C	.	.			trans	-84.7	151.4	172.8	-63.3	-61.6	0	0	0	111.4	E818 K820 L911 N912 E914 F918	E818-Y916 WeakPolarHBondContact O-CB 3.45Å; K820-Y916 HydrophobicContact CB-CE1 4.3Å; L911-Y916 WeakPolarHBondContact CA-O 2.95Å; N912-Y916 PolarHBondContact N-O 2.94Å; N912-Y916 PolarHBondContact OD1-N 3.09Å; N912-Y916 PolarHBondContact OD1-O 3.35Å; E914-Y916 VanDerWaalsContact C-N 3.33Å; E914-Y916 HydrophobicContact CB-CD2 3.67Å; E914-Y916 HydrophobicContact CB-CE2 3.92Å; Y916-F918 PolarHBondContact O-N 3.2Å
917	K	93.1	Very high	93.1	Very high	83 Å²	83	42.6 Å²	42.6	36%	0.361	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	134.9	175.9	-160.3	-179.6	-77.5	173.3	0	110	E818 F829 V909	E818-K917 VanDerWaalsContact CD-CB 3.5Å; E818-K917 HydrophobicContact CG-CB 4.16Å; E818-K917 PolarHBondContact N-O 2.93Å; E818-K917 WeakPolarHBondContact OE2-CB 3.25Å; F829-K917 HydrophobicContact CD2-CB 4.33Å; F829-K917 HydrophobicContact CD2-CD 3.84Å; F829-K917 HydrophobicContact CD2-CG 4.15Å; F829-K917 HydrophobicContact CE2-CB 4.32Å; F829-K917 HydrophobicContact CE2-CD 4.49Å; F829-K917 HydrophobicContact CE2-CG 4.3Å; V909-K917 HydrophobicContact CG1-CD 3.93Å; V909-K917 HydrophobicContact CG1-CG 3.67Å
918	F	94.6	Very high	93.1	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126.2	-176.5	179.5	-114.9	0	0	0	109.4	N117 K815 E816 Q817 V909 T910 N912 Y916 K920	N117-F918 WeakPolarHBondContact ND2-CZ 2.99Å; K815-F918 HydrophobicContact CB-CE2 4.17Å; K815-F918 HydrophobicContact CB-CZ 3.94Å; K815-F918 HydrophobicContact CD-CZ 4.46Å; E816-F918 WeakPolarHBondContact O-CD2 3.46Å; E816-F918 WeakPolarHBondContact O-CE2 3.31Å; Q817-F918 HydrophobicContact CB-CD2 3.73Å; Q817-F918 HydrophobicContact CB-CE2 4.37Å; V909-F918 WeakPolarHBondContact CA-O 3.43Å; T910-F918 HydrophobicContact CG2-CB 4.17Å; T910-F918 HydrophobicContact CG2-CD1 3.64Å; T910-F918 HydrophobicContact CG2-CG 4.39Å; T910-F918 PolarHBondContact N-O 3.01Å; T910-F918 PolarHBondContact O-N 2.86Å; N912-F918 HydrophobicContact CB-CB 4.33Å; Y916-F918 PolarHBondContact O-N 3.2Å; F918-K920 HydrophobicContact CE1-CD 3.81Å; F918-K920 VanDerWaalsContact CE1-CE 3.47Å; F918-K920 HydrophobicContact CE1-CG 3.6Å; F918-K920 HydrophobicContact CZ-CD 4.06Å; F918-K920 VanDerWaalsContact CZ-CE 3.49Å; F918-K920 HydrophobicContact CZ-CG 3.63Å
919	C	95.5	Very high	93.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.3	-178	-177	0	0	0	0	110.9	K815 E816 F829 L853 M908	K815-C919 WeakPolarHBondContact CA-O 3.33Å; E816-C919 PolarHBondContact N-O 3.49Å; E816-C919 PolarHBondContact O-N 3.32Å; F829-C919 HydrophobicContact CE2-CB 4.05Å; F829-C919 HydrophobicContact CZ-CB 4.24Å; L853-C919 HydrophobicContact CD2-CB 4.26Å; M908-C919 WeakPolarHBondContact O-CA 3.43Å
920	K	95.9	Very high	93.1	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.035	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.4	163.8	-62.9	176	163.2	164.8	0	110.3	R114 L115 N117 M744 Y814 K815 M908 F918	R114-K920 PolarHBondContact O-NZ 3.39Å; L115-K920 WeakPolarHBondContact O-CE 3.49Å; L115-K920 PolarHBondContact O-NZ 3.14Å; N117-K920 VanDerWaalsContact OD1-CE 3.24Å; N117-K920 WeakPolarHBondContact OD1-CE 3.48Å; N117-K920 PolarHBondContact OD1-NZ 3.02Å; M744-K920 HydrophobicContact CB-CD 4.18Å; Y814-K920 CarbonylContact O-C 3.53Å; Y814-K920 WeakPolarHBondContact O-CA 3.48Å; K815-K920 HydrophobicContact CB-CG 3.82Å; M908-K920 HydrophobicContact CG-CB 3.57Å; M908-K920 HydrophobicContact CG-CG 4.35Å; M908-K920 WeakPolarHBondContact CG-O 3.24Å; M908-K920 PolarHBondContact N-O 2.77Å; M908-K920 PolarHBondContact O-N 3.11Å; M908-K920 HydrophobicContact SD-CB 3.86Å; M908-K920 HydrophobicContact SD-CD 3.71Å; M908-K920 HydrophobicContact SD-CG 4.15Å; F918-K920 HydrophobicContact CE1-CD 3.81Å; F918-K920 VanDerWaalsContact CE1-CE 3.47Å; F918-K920 HydrophobicContact CE1-CG 3.6Å; F918-K920 HydrophobicContact CZ-CD 4.06Å; F918-K920 VanDerWaalsContact CZ-CE 3.49Å; F918-K920 HydrophobicContact CZ-CG 3.63Å
921	I	96.6	Very high	93.2	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	123.7	179.1	-59.2	-168.2	0	0	0	108.5	S813 Y814 I854 I866 I867 V904 V907 V923	S813-I921 CarbonylContact C-O 3.53Å; S813-I921 VanDerWaalsContact CA-O 3.28Å; S813-I921 WeakPolarHBondContact CA-O 3.45Å; Y814-I921 PolarHBondContact N-O 3.47Å; Y814-I921 PolarHBondContact O-N 3.06Å; I854-I921 HydrophobicContact CG2-CD1 3.92Å; I854-I921 HydrophobicContact CG2-CG2 4.46Å; I866-I921 HydrophobicContact CB-CD1 4.46Å; I866-I921 WeakPolarHBondContact O-CD1 3.32Å; I867-I921 HydrophobicContact CD1-CD1 4.12Å; I867-I921 HydrophobicContact CD1-CG1 4.26Å; I867-I921 HydrophobicContact CG1-CD1 3.54Å; I867-I921 HydrophobicContact CG1-CG1 4.23Å; V904-I921 HydrophobicContact CG1-CG2 3.88Å; V907-I921 HydrophobicContact CB-CG1 4.48Å; V907-I921 HydrophobicContact CG1-CD1 4.47Å; V907-I921 HydrophobicContact CG1-CG1 4.06Å; V907-I921 HydrophobicContact CG2-CB 4.38Å; V907-I921 HydrophobicContact CG2-CD1 4.17Å; V907-I921 HydrophobicContact CG2-CG1 3.92Å; V907-I921 HydrophobicContact CG2-CG2 4.07Å; I921-V923 HydrophobicContact CG2-CG2 4.27Å
922	R	96.8	Very high	93.4	Very high	9 Å²	9	42 Å²	42	3%	0.034	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.9	172.5	-168.3	169	74.2	-162.3	-3	109.8	F740 H741 R743 M744 Y811 R812 D905 Q906	F740-R922 PolarHBondContact O-NH1 3.05Å; H741-R922 VanDerWaalsContact O-CZ 3.22Å; H741-R922 PolarHBondContact O-NH1 3.08Å; H741-R922 PolarHBondContact O-NH2 3.29Å; R743-R922 PolarHBondContact O-NH1 3.47Å; M744-R922 HydrophobicContact SD-CB 3.7Å; Y811-R922 HydrophobicContact CD1-CG 4.08Å; R812-R922 WeakPolarHBondContact O-CA 3.26Å; D905-R922 HydrophobicContact CB-CB 4.45Å; D905-R922 HydrophobicContact CB-CG 4.46Å; D905-R922 WeakPolarHBondContact CB-O 3.49Å; D905-R922 PolarHBondContact N-O 3.25Å; D905-R922 IonicContact OD2-CZ 2.75Å; D905-R922 IonicContact OD2-NE 3.58Å; D905-R922 PolarHBondContact OD2-NE 3.2Å; D905-R922 IonicContact OD2-NH2 3Å; D905-R922 PolarHBondContact OD2-NH2 2.98Å; Q906-R922 HydrophobicContact CG-CB 4.07Å; Q906-R922 PolarHBondContact N-O 2.8Å; Q906-R922 VanDerWaalsContact NE2-NH2 3.12Å; Q906-R922 PolarHBondContact O-N 3.31Å
923	V	96.7	Very high	93.9	Very high	9 Å²	9	41.4 Å²	41.4	6%	0.055	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.6	175.8	-178.5	0	0	0	0	108.2	Y811 R812 Y814 V860 L896 I921	Y811-V923 WeakPolarHBondContact CA-O 3.5Å; R812-V923 PolarHBondContact N-O 2.91Å; R812-V923 PolarHBondContact O-N 3.37Å; Y814-V923 HydrophobicContact CD2-CG2 4.44Å; Y814-V923 HydrophobicContact CE2-CG2 4.44Å; V860-V923 HydrophobicContact CG2-CG1 3.92Å; V860-V923 HydrophobicContact CG2-CG2 4.49Å; L896-V923 HydrophobicContact CD1-CG1 4.45Å; L896-V923 HydrophobicContact CD1-CG2 4.18Å; I921-V923 HydrophobicContact CG2-CG2 4.27Å
924	R	96.2	Very high	94.4	Very high	81 Å²	81	39.7 Å²	39.7	31%	0.306	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.6	176.1	64.5	177.9	175.2	82.3	2.8	111.2	V809 F810 Y811 G902 I903 D905	V809-R924 HydrophobicContact CG2-CB 4.12Å; F810-R924 CarbonylContact O-C 3.55Å; F810-R924 WeakPolarHBondContact O-CA 3.09Å; Y811-R924 HydrophobicContact CD1-CB 3.67Å; Y811-R924 HydrophobicContact CE1-CB 3.57Å; G902-R924 CarbonylContact C-O 3.53Å; G902-R924 WeakPolarHBondContact CA-O 3.31Å; I903-R924 HydrophobicContact CB-CG 4.44Å; I903-R924 PolarHBondContact N-O 2.95Å; I903-R924 WeakPolarHBondContact O-CG 3.21Å; I903-R924 PolarHBondContact O-N 3.12Å; D905-R924 HydrophobicContact CB-CB 4.13Å; D905-R924 HydrophobicContact CB-CG 3.99Å; D905-R924 WeakPolarHBondContact OD1-CD 3.18Å; D905-R924 IonicContact OD1-NE 2.69Å
925	S	95.5	Very high	95.1	Very high	18 Å²	18	35.2 Å²	35.2	13%	0.126	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	128.6	173	63.7	0	0	0	0	109.5	F810 T901	F810-S925 WeakPolarHBondContact CD1-OG 3.35Å; F810-S925 PolarHBondContact N-O 3.38Å; F810-S925 PolarHBondContact O-N 2.83Å; F810-S925 PolarHBondContact O-OG 2.96Å; T901-S925 WeakPolarHBondContact O-CB 3.38Å
926	V	95.9	Very high	95.6	Very high	64 Å²	64	33.8 Å²	33.8	39%	0.388	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.7	176.8	-176.2	0	0	0	0	108.5	Y752 R807	Y752-V926 HydrophobicContact CE1-CG1 4.19Å; Y752-V926 WeakPolarHBondContact OH-CG1 3.3Å; Y752-V926 WeakPolarHBondContact OH-CG2 3.34Å; R807-V926 HydrophobicContact CG-CG1 3.88Å
927	R	95.3	Very high	95.9	Very high	24 Å²	24	29.8 Å²	29.8	9%	0.091	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	106.4	-179.1	-61.4	-61.7	-168.4	132	18.2	108.9	S808 F810 R1050 M1054 D1056 D1057	S808-R927 PolarHBondContact N-O 3.31Å; S808-R927 PolarHBondContact O-N 3.08Å; F810-R927 HydrophobicContact CB-CG 4.08Å; R927-R1050 PolarHBondContact O-NH1 3.04Å; R927-M1054 HydrophobicContact CB-CE 3.72Å; R927-M1054 HydrophobicContact CB-SD 3.71Å; R927-M1054 HydrophobicContact CG-CE 3.83Å; R927-M1054 HydrophobicContact CG-SD 3.65Å; R927-D1056 IonicContact NH1-OD2 3.21Å; R927-D1056 PolarHBondContact NH1-OD2 3.14Å; R927-D1057 IonicContact CZ-OD1 3.94Å; R927-D1057 IonicContact NH1-OD1 2.83Å; R927-D1057 IonicContact NH2-OD1 2.99Å; R927-D1057 PolarHBondContact NH2-OD1 3.41Å
928	I	97.1	Very high	96.1	Very high	73 Å²	73	25.9 Å²	25.9	37%	0.374	13%	0.133	S	C	.	.			trans	-85	141	174.4	-58.3	175.3	0	0	0	107.9	V801 R807 Q930 R1050	V801-I928 HydrophobicContact CG1-CG2 3.55Å; R807-I928 HydrophobicContact CG-CG1 4.44Å; I928-Q930 PolarHBondContact O-N 3.17Å; I928-R1050 PolarHBondContact O-NH2 2.9Å
929	P	97	Very high	96.2	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	13%	0.132	C	C	.	.			trans	-52.1	130.2	170.6	-32.4	39	0	0	0	113.1	V801 F805 F806 F935 Q948	V801-P929 HydrophobicContact CG1-CB 4.14Å; V801-P929 HydrophobicContact CG1-CG 4.37Å; V801-P929 HydrophobicContact CG2-CB 4.2Å; F805-P929 WeakPolarHBondContact O-CG 3.45Å; F806-P929 HydrophobicContact CB-CG 3.69Å; P929-F935 HydrophobicContact CB-CZ 4.01Å; P929-F935 HydrophobicContact CG-CZ 4.36Å; P929-Q948 PolarHBondContact O-NE2 3.13Å
930	Q	95.4	Very high	96	Very high	60 Å²	60	25.9 Å²	25.9	28%	0.28	13%	0.134	S	C	.	.			trans	-133.5	169.9	177.9	62.1	-178.4	-17.8	0	0	112	I928 G932 D933 C945 V1055 D1056	I928-Q930 PolarHBondContact O-N 3.17Å; Q930-G932 PolarHBondContact O-N 2.86Å; Q930-D933 PolarHBondContact N-OD2 3.27Å; Q930-D933 WeakPolarHBondContact O-CB 3.45Å; Q930-D933 PolarHBondContact O-N 3.33Å; Q930-D933 VanDerWaalsContact O-N 3.14Å; Q930-C945 WeakPolarHBondContact O-CB 3.15Å; Q930-V1055 VanDerWaalsContact CD-CG1 3.45Å; Q930-V1055 HydrophobicContact CG-CG1 3.76Å; Q930-D1056 PolarHBondContact NE2-OD1 3.09Å; Q930-D1056 PolarHBondContact NE2-OD2 3.15Å
931	I	96.2	Very high	95.8	Very high	96 Å²	96	26 Å²	26	49%	0.492	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	134.3	175.5	-62.7	173	0	0	0	109.2	C945 G946 V1055	I931-C945 CarbonylContact C-O 3.56Å; I931-C945 WeakPolarHBondContact CA-O 3.42Å; I931-C945 WeakPolarHBondContact CG2-O 3.34Å; I931-G946 WeakPolarHBondContact CG2-O 3.49Å; I931-V1055 WeakPolarHBondContact O-CG1 3.29Å
932	G	95.1	Very high	95.7	Very high	27 Å²	27	30.2 Å²	30.2	28%	0.278	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	-12.8	-175.8	0	0	0	0	0	115.3	Q930 C945	Q930-G932 PolarHBondContact O-N 2.86Å; G932-C945 PolarHBondContact N-O 2.87Å
933	D	96.1	Very high	95.5	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.011	16%	0.157	C	C	.	.			trans	-65.5	148.8	170.8	-81.1	-2.3	0	0	0	111	Q930 F935 T944 C945 R1050 M1054 V1055	Q930-D933 PolarHBondContact N-OD2 3.27Å; Q930-D933 WeakPolarHBondContact O-CB 3.45Å; Q930-D933 PolarHBondContact O-N 3.33Å; Q930-D933 VanDerWaalsContact O-N 3.14Å; D933-F935 HydrophobicContact CB-CE2 3.83Å; D933-F935 HydrophobicContact CB-CZ 4.24Å; D933-T944 WeakPolarHBondContact O-CA 3.37Å; D933-C945 PolarHBondContact O-N 2.79Å; D933-R1050 IonicContact OD2-CZ 3.34Å; D933-R1050 IonicContact OD2-NE 3.67Å; D933-R1050 IonicContact OD2-NH2 3.26Å; D933-R1050 PolarHBondContact OD2-NH2 3.29Å; D933-M1054 WeakPolarHBondContact OD1-CA 3.1Å; D933-V1055 PolarHBondContact OD1-N 2.93Å
934	K	96.2	Very high	95.5	Very high	65 Å²	65	32.2 Å²	32.2	28%	0.283	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.9	-173.1	-69.2	173.3	-179.3	177.5	0	111.8	G943 T944 L1051 H1053	K934-G943 WeakPolarHBondContact CA-O 3.45Å; K934-T944 HydrophobicContact CG-CG2 3.68Å; K934-L1051 HydrophobicContact CB-CB 4.11Å; K934-L1051 HydrophobicContact CB-CD1 4.17Å; K934-L1051 WeakPolarHBondContact O-CB 3.46Å; K934-L1051 PolarHBondContact O-N 3.49Å; K934-H1053 HydrophobicContact CD-CB 4.19Å
935	F	96.5	Very high	95.5	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	154.2	175	-59.9	-88.8	0	0	0	109.3	M796 F806 P929 D933 K942 G943 C945 Y1048 Q1049 R1050	M796-F935 HydrophobicContact CE-CE1 4.1Å; M796-F935 HydrophobicContact CE-CE2 4.16Å; M796-F935 HydrophobicContact CE-CZ 3.89Å; M796-F935 HydrophobicContact SD-CD2 4.02Å; M796-F935 HydrophobicContact SD-CE2 3.53Å; M796-F935 VanDerWaalsContact SD-CE2 3.53Å; M796-F935 HydrophobicContact SD-CZ 3.85Å; F806-F935 HydrophobicContact CB-CE1 3.93Å; F806-F935 HydrophobicContact CD1-CE1 4.4Å; F806-F935 HydrophobicContact CD2-CD1 4.11Å; F806-F935 AromaticContact CD2-CE1 3.82Å; F806-F935 HydrophobicContact CD2-CE1 3.82Å; F806-F935 HydrophobicContact CE2-CD1 4.3Å; F806-F935 HydrophobicContact CE2-CE1 4.46Å; F806-F935 HydrophobicContact CG-CD1 4.33Å; F806-F935 AromaticContact CG-CE1 3.8Å; F806-F935 HydrophobicContact CG-CE1 3.8Å; P929-F935 HydrophobicContact CB-CZ 4.01Å; P929-F935 HydrophobicContact CG-CZ 4.36Å; D933-F935 HydrophobicContact CB-CE2 3.83Å; D933-F935 HydrophobicContact CB-CZ 4.24Å; F935-K942 WeakPolarHBondContact O-CA 3.43Å; F935-G943 PolarHBondContact N-O 2.88Å; F935-G943 PolarHBondContact O-N 2.81Å; F935-G943 VanDerWaalsContact O-O 3.07Å; F935-C945 HydrophobicContact CE2-CB 4.24Å; F935-Y1048 HydrophobicContact CB-CD1 4.36Å; F935-Q1049 CarbonylContact C-O 3.35Å; F935-Q1049 VanDerWaalsContact CA-O 3.3Å; F935-Q1049 WeakPolarHBondContact CA-O 3.25Å; F935-R1050 HydrophobicContact CD1-CB 4.11Å; F935-R1050 HydrophobicContact CD1-CG 4.24Å; F935-R1050 HydrophobicContact CE1-CB 3.9Å; F935-R1050 HydrophobicContact CE1-CG 3.71Å; F935-R1050 HydrophobicContact CZ-CG 4.29Å
936	A	96.3	Very high	95.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.1	173.6	0	0	0	0	0	111.3	M728 Q941 Q1049 L1051	M728-A936 HydrophobicContact CE-CB 4.38Å; M728-A936 HydrophobicContact SD-CB 4.29Å; A936-Q941 VanDerWaalsContact CA-O 3.26Å; A936-Q941 WeakPolarHBondContact CA-O 3.12Å; A936-Q1049 PolarHBondContact N-O 2.59Å; A936-Q1049 PolarHBondContact O-N 3.34Å; A936-L1051 HydrophobicContact CB-CD1 4.1Å; A936-L1051 HydrophobicContact CB-CD2 4.34Å; A936-L1051 HydrophobicContact CB-CG 4.36Å
937	S	95.8	Very high	95.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	167.5	162	158.4	0	0	0	0	110	Q725 H939 Q941 H980	Q725-S937 PolarHBondContact OE1-O 3.15Å; S937-H939 PolarHBondContact O-N 2.95Å; S937-H939 VanDerWaalsContact O-N 3.14Å; S937-H939 PolarHBondContact OG-CD2 2.67Å; S937-H939 PolarHBondContact OG-N 2.92Å; S937-Q941 PolarHBondContact N-O 3.06Å; S937-Q941 VanDerWaalsContact N-O 3.08Å; S937-H980 PolarHBondContact OG-ND1 2.75Å; S937-H980 VanDerWaalsContact OG-ND1 3.09Å
938	R	96.4	Very high	95.8	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	7.6	173.3	-65.1	-172.3	-68.1	166	-11.1	114.8	I710 I711 Q725 V759 E983 Y1047	I710-R938 WeakPolarHBondContact O-CD 3.31Å; I710-R938 PolarHBondContact O-NH1 3.47Å; I711-R938 WeakPolarHBondContact CG2-O 3.46Å; Q725-R938 WeakPolarHBondContact CG-O 3.49Å; V759-R938 PolarHBondContact O-NH1 3.41Å; V759-R938 PolarHBondContact O-NH2 3.12Å; R938-E983 IonicContact CZ-OE1 3.62Å; R938-E983 IonicContact NE-OE1 3.61Å; R938-E983 PolarHBondContact NE-OE1 3.05Å; R938-E983 IonicContact NH2-OE1 3.65Å; R938-E983 PolarHBondContact NH2-OE1 3.24Å; R938-Y1047 HydrophobicContact CG-CD1 4.05Å
939	H	96.9	Very high	95.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	23.9	-178.1	-64.1	-87.4	0	0	0	113.5	P712 N717 S937 Q941 T977 G979 H980 E983	P712-H939 WeakPolarHBondContact CG-NE2 3.1Å; P712-H939 PolarHBondContact O-CE1 2.6Å; N717-H939 PolarHBondContact ND2-ND1 3.48Å; N717-H939 PolarHBondContact OD1-ND1 2.92Å; N717-H939 VanDerWaalsContact OD1-ND1 3.1Å; S937-H939 PolarHBondContact O-N 2.95Å; S937-H939 VanDerWaalsContact O-N 3.14Å; S937-H939 PolarHBondContact OG-CD2 2.67Å; S937-H939 PolarHBondContact OG-N 2.92Å; H939-Q941 PolarHBondContact O-N 2.94Å; H939-T977 HydrophobicContact CB-CG2 4.27Å; H939-T977 WeakPolarHBondContact O-CG2 3.46Å; H939-G979 PolarHBondContact CE1-O 2.95Å; H939-G979 PolarHBondContact NE2-O 2.87Å; H939-H980 HydrophobicContact CB-CB 4.05Å; H939-H980 VanDerWaalsContact CD2-CA 3.48Å; H939-H980 WeakPolarHBondContact CD2-CA 3.46Å; H939-H980 AromaticContact CD2-ND1 3.9Å; H939-H980 PolarHBondContact CE1-N 3.26Å; H939-H980 PolarHBondContact ND1-N 3.29Å; H939-E983 IonicContact CD2-OE2 2.89Å; H939-E983 PolarHBondContact CD2-OE2 3.35Å; H939-E983 VanDerWaalsContact CD2-OE2 3.29Å; H939-E983 IonicContact NE2-OE2 3.6Å; H939-E983 PolarHBondContact NE2-OE2 3.37Å
940	G	92.1	Very high	95.9	Very high	4 Å²	4	32 Å²	32	4%	0.041	16%	0.164	C	C	.	.	S	Bend	trans	73.3	15.4	179.8	0	0	0	0	0	113.5	M728 K942	M728-G940 VanDerWaalsContact CE-CA 3.42Å; G940-K942 PolarHBondContact O-N 3.44Å
941	Q	92.5	Very high	96	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.056	17%	0.165	C	C	.	.			trans	-94.7	91.4	177.8	-174.1	172.7	4.8	0	0	109.6	A936 S937 H939 A971 H980	A936-Q941 VanDerWaalsContact CA-O 3.26Å; A936-Q941 WeakPolarHBondContact CA-O 3.12Å; S937-Q941 PolarHBondContact N-O 3.06Å; S937-Q941 VanDerWaalsContact N-O 3.08Å; H939-Q941 PolarHBondContact O-N 2.94Å; Q941-A971 VanDerWaalsContact NE2-CB 3.3Å; Q941-H980 PolarHBondContact OE1-CD2 3.09Å
942	K	93.3	Very high	96	Very high	88 Å²	88	32.7 Å²	32.7	38%	0.383	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	138.2	175.9	-179.7	-177.1	179.2	-179.5	0	109.9	M728 F935 G940 L1051	M728-K942 HydrophobicContact CE-CB 4.31Å; M728-K942 HydrophobicContact SD-CB 3.82Å; M728-K942 HydrophobicContact SD-CD 3.98Å; M728-K942 HydrophobicContact SD-CG 4.21Å; F935-K942 WeakPolarHBondContact O-CA 3.43Å; G940-K942 PolarHBondContact O-N 3.44Å; K942-L1051 HydrophobicContact CG-CD1 4.33Å
943	G	93	Very high	96.2	Very high	12 Å²	12	33.3 Å²	33.3	12%	0.124	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	157.9	169.9	0	0	0	0	0	114.1	D792 K934 F935	D792-G943 WeakPolarHBondContact O-CA 3.27Å; K934-G943 WeakPolarHBondContact CA-O 3.45Å; F935-G943 PolarHBondContact N-O 2.88Å; F935-G943 PolarHBondContact O-N 2.81Å; F935-G943 VanDerWaalsContact O-O 3.07Å
944	T	96.1	Very high	96.2	Very high	47 Å²	47	33.2 Å²	33.2	29%	0.288	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	140.4	174.8	43.9	0	0	0	0	110.6	D792 S793 V794 D933 K934 G946	D792-T944 PolarHBondContact O-N 3.28Å; S793-T944 CarbonylContact C-O 3.52Å; S793-T944 WeakPolarHBondContact CA-O 3.18Å; V794-T944 WeakPolarHBondContact CG1-O 3.47Å; V794-T944 PolarHBondContact N-O 2.72Å; D933-T944 WeakPolarHBondContact O-CA 3.37Å; K934-T944 HydrophobicContact CG-CG2 3.68Å; T944-G946 PolarHBondContact O-N 2.95Å; T944-G946 VanDerWaalsContact O-N 3.1Å
945	C	96.6	Very high	96.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	115.1	172.8	-180	0	0	0	0	109.7	V794 M796 Q930 I931 G932 D933 F935	V794-C945 CarbonylContact O-C 3.58Å; V794-C945 WeakPolarHBondContact O-CA 3.47Å; M796-C945 HydrophobicContact CG-CB 4.45Å; M796-C945 HydrophobicContact SD-CB 3.93Å; Q930-C945 WeakPolarHBondContact O-CB 3.15Å; I931-C945 CarbonylContact C-O 3.56Å; I931-C945 WeakPolarHBondContact CA-O 3.42Å; I931-C945 WeakPolarHBondContact CG2-O 3.34Å; G932-C945 PolarHBondContact N-O 2.87Å; D933-C945 PolarHBondContact O-N 2.79Å; F935-C945 HydrophobicContact CE2-CB 4.24Å
946	G	96.6	Very high	96.4	Very high	22 Å²	22	33.6 Å²	33.6	23%	0.227	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-44.7	179.7	0	0	0	0	0	112.6	V794 I931 T944	V794-G946 PolarHBondContact O-N 3.16Å; I931-G946 WeakPolarHBondContact CG2-O 3.49Å; T944-G946 PolarHBondContact O-N 2.95Å; T944-G946 VanDerWaalsContact O-N 3.1Å
947	I	97.9	Very high	96.4	Very high	31 Å²	31	33.7 Å²	33.7	16%	0.159	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	159.8	176.6	-163.7	162.9	0	0	0	110.4	Y788 I795 M796 Y949	Y788-I947 HydrophobicContact CD1-CB 4.16Å; Y788-I947 HydrophobicContact CD1-CD1 4.32Å; Y788-I947 HydrophobicContact CD1-CG2 4.38Å; Y788-I947 HydrophobicContact CD2-CB 4.41Å; Y788-I947 HydrophobicContact CD2-CD1 3.96Å; Y788-I947 HydrophobicContact CD2-CG2 3.94Å; Y788-I947 HydrophobicContact CE1-CD1 4.21Å; Y788-I947 HydrophobicContact CE2-CD1 3.82Å; Y788-I947 HydrophobicContact CG-CB 3.94Å; Y788-I947 HydrophobicContact CG-CD1 4.2Å; Y788-I947 HydrophobicContact CG-CG2 3.66Å; I795-I947 HydrophobicContact CB-CG2 4.44Å; I795-I947 HydrophobicContact CG1-CG2 3.86Å; I795-I947 HydrophobicContact CG2-CG2 4.08Å; M796-I947 PolarHBondContact N-O 2.92Å; M796-I947 VanDerWaalsContact N-O 3.1Å; I947-Y949 HydrophobicContact CD1-CE1 4.18Å; I947-Y949 HydrophobicContact CD1-CE2 4.4Å; I947-Y949 HydrophobicContact CG2-CD2 3.97Å; I947-Y949 HydrophobicContact CG2-CE2 3.5Å; I947-Y949 VanDerWaalsContact CG2-CE2 3.5Å
948	Q	98.1	Very high	96.4	Very high	33 Å²	33	37.7 Å²	37.7	15%	0.154	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.7	173.7	-59	-178.9	-9.8	0	0	109.7	M796 R798 P929	M796-Q948 HydrophobicContact CB-CG 4.4Å; M796-Q948 VanDerWaalsContact O-CA 3.25Å; M796-Q948 WeakPolarHBondContact O-CA 3.37Å; R798-Q948 HydrophobicContact CB-CB 4.02Å; P929-Q948 PolarHBondContact O-NE2 3.13Å
949	Y	98.3	Very high	96.3	Very high	30 Å²	30	43.2 Å²	43.2	12%	0.118	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.6	175	-76.2	-63.1	0	0	0	110.7	T786 I795 M796 N797 R798 I947 D953 F1032	T786-Y949 WeakPolarHBondContact CG2-OH 3.33Å; I795-Y949 HydrophobicContact CG2-CD2 3.65Å; I795-Y949 HydrophobicContact CG2-CE2 4.18Å; M796-Y949 PolarHBondContact O-N 3.48Å; M796-Y949 VanDerWaalsContact O-N 3.08Å; N797-Y949 CarbonylContact C-O 3.57Å; N797-Y949 WeakPolarHBondContact CA-O 3.39Å; R798-Y949 WeakPolarHBondContact CB-O 3.45Å; R798-Y949 PolarHBondContact N-O 2.68Å; I947-Y949 HydrophobicContact CD1-CE1 4.18Å; I947-Y949 HydrophobicContact CD1-CE2 4.4Å; I947-Y949 HydrophobicContact CG2-CD2 3.97Å; I947-Y949 HydrophobicContact CG2-CE2 3.5Å; I947-Y949 VanDerWaalsContact CG2-CE2 3.5Å; Y949-D953 HydrophobicContact CD1-CB 3.9Å; Y949-D953 HydrophobicContact CG-CB 4.22Å; Y949-F1032 HydrophobicContact CE1-CZ 4.34Å
950	R	98.2	Very high	96.2	Very high	140 Å²	140	45.1 Å²	45.1	53%	0.528	24%	0.236	S	C	.	.			trans	-73.1	166	173	-64.7	-173.6	-62.5	-119.6	-7.7	110.4	R798 E952 D953 M954	R798-R950 HydrophobicContact CB-CG 4.15Å; R798-R950 HydrophobicContact CG-CG 4.21Å; R950-E952 VanDerWaalsContact CB-CD 3.46Å; R950-E952 HydrophobicContact CB-CG 4.48Å; R950-E952 WeakPolarHBondContact CB-OE1 3.43Å; R950-E952 VanDerWaalsContact CB-OE2 3.25Å; R950-E952 WeakPolarHBondContact CB-OE2 3.48Å; R950-E952 WeakPolarHBondContact CD-OE1 3.3Å; R950-E952 IonicContact CZ-OE1 3.51Å; R950-E952 IonicContact NE-OE1 2.7Å; R950-E952 PolarHBondContact NE-OE1 3.16Å; R950-E952 IonicContact NH2-OE1 3.56Å; R950-E952 PolarHBondContact O-N 3.08Å; R950-D953 PolarHBondContact O-N 3.17Å; R950-M954 PolarHBondContact O-N 2.98Å
951	Q	97.7	Very high	96.4	Very high	68 Å²	68	48 Å²	48	32%	0.318	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-56.2	-36.5	-175.2	-175.1	170.6	-7.6	0	0	112.9	S799 D953 M954 T962	S799-Q951 WeakPolarHBondContact OG-CB 3.25Å; S799-Q951 PolarHBondContact OG-N 3.26Å; Q951-D953 VanDerWaalsContact C-N 3.32Å; Q951-D953 PolarHBondContact O-N 3.48Å; Q951-M954 PolarHBondContact O-N 3.3Å; Q951-T962 HydrophobicContact CG-CG2 3.97Å
952	E	96.9	Very high	96.7	Very high	103 Å²	103	48.1 Å²	48.1	48%	0.481	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-67.2	-28.9	178.2	62.3	-87.7	-159.9	0	0	114.1	R950 G1031	R950-E952 VanDerWaalsContact CB-CD 3.46Å; R950-E952 HydrophobicContact CB-CG 4.48Å; R950-E952 WeakPolarHBondContact CB-OE1 3.43Å; R950-E952 VanDerWaalsContact CB-OE2 3.25Å; R950-E952 WeakPolarHBondContact CB-OE2 3.48Å; R950-E952 WeakPolarHBondContact CD-OE1 3.3Å; R950-E952 IonicContact CZ-OE1 3.51Å; R950-E952 IonicContact NE-OE1 2.7Å; R950-E952 PolarHBondContact NE-OE1 3.16Å; R950-E952 IonicContact NH2-OE1 3.56Å; R950-E952 PolarHBondContact O-N 3.08Å; E952-G1031 CarbonylContact O-C 3.49Å; E952-G1031 WeakPolarHBondContact O-CA 3.32Å
953	D	97.5	Very high	96.9	Very high	39 Å²	39	44 Å²	44	21%	0.209	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-89.5	-11.9	179.7	-63.8	-39.3	0	0	0	111.8	Y785 Y949 R950 Q951 F1032	Y785-D953 PolarHBondContact OH-O 3.2Å; Y949-D953 HydrophobicContact CD1-CB 3.9Å; Y949-D953 HydrophobicContact CG-CB 4.22Å; R950-D953 PolarHBondContact O-N 3.17Å; Q951-D953 VanDerWaalsContact C-N 3.32Å; Q951-D953 PolarHBondContact O-N 3.48Å; D953-F1032 HydrophobicContact CB-CE1 3.7Å; D953-F1032 HydrophobicContact CB-CZ 4.07Å; D953-F1032 WeakPolarHBondContact OD1-CE1 3.5Å
954	M	98	Very high	97.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	S	Bend	trans	-80.1	147.4	178.4	-77.8	-63.8	-145.4	0	0	111.3	I795 M796 N797 R950 Q951 T962 I966 G1031	I795-M954 HydrophobicContact CG2-CE 3.87Å; I795-M954 HydrophobicContact CG2-SD 4.35Å; M796-M954 VanDerWaalsContact C-CE 3.41Å; M796-M954 WeakPolarHBondContact O-CE 3.41Å; N797-M954 HydrophobicContact CB-CE 3.78Å; R950-M954 PolarHBondContact O-N 2.98Å; Q951-M954 PolarHBondContact O-N 3.3Å; M954-T962 HydrophobicContact CB-CG2 4.14Å; M954-I966 HydrophobicContact CE-CD1 4.36Å; M954-I966 HydrophobicContact CE-CG1 4.46Å; M954-I966 HydrophobicContact SD-CD1 3.8Å; M954-I966 HydrophobicContact SD-CG1 4.5Å; M954-G1031 WeakPolarHBondContact O-CA 3.3Å
955	P	98	Very high	97.3	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.032	22%	0.222	C	C	.	.			trans	-66.5	145.1	171.1	31.7	-35.4	0	0	0	110	P963 I966 L1028 Y1029 I1037	P955-P963 HydrophobicContact CG-CG 4.22Å; P955-P963 WeakPolarHBondContact O-CD 3.01Å; P955-I966 HydrophobicContact CG-CD1 3.79Å; P955-L1028 HydrophobicContact CB-CB 4.47Å; P955-L1028 HydrophobicContact CB-CD2 4.12Å; P955-L1028 HydrophobicContact CG-CD2 4.31Å; P955-Y1029 WeakPolarHBondContact CA-O 3.48Å; P955-Y1029 WeakPolarHBondContact CB-O 3.34Å; P955-I1037 HydrophobicContact CB-CD1 4.35Å
956	F	97.9	Very high	97.3	Very high	69 Å²	69	42.6 Å²	42.6	30%	0.303	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-129.4	152.9	-176.7	60.7	-86.4	0	0	0	112	I961 T962 L1028 Y1029	F956-I961 CarbonylContact C-O 3.52Å; F956-I961 WeakPolarHBondContact CA-O 3.38Å; F956-T962 HydrophobicContact CB-CG2 3.76Å; F956-L1028 CarbonylContact O-C 3.5Å; F956-L1028 WeakPolarHBondContact O-CA 3.45Å; F956-Y1029 HydrophobicContact CD2-CD2 4.29Å; F956-Y1029 HydrophobicContact CE2-CD2 4.06Å; F956-Y1029 HydrophobicContact CE2-CG 4.05Å; F956-Y1029 HydrophobicContact CZ-CG 4.26Å; F956-Y1029 PolarHBondContact N-O 2.75Å; F956-Y1029 WeakPolarHBondContact O-CD2 3.5Å; F956-Y1029 PolarHBondContact O-N 3.27Å
957	T	97.2	Very high	97.4	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	21%	0.213	C	C	.	.			trans	-83	178	177.3	71.3	0	0	0	0	111.9	E959 G960 I961 E1026 L1028 I1043	T957-E959 WeakPolarHBondContact CB-OE2 3.35Å; T957-E959 PolarHBondContact O-N 3.13Å; T957-E959 PolarHBondContact OG1-N 3.26Å; T957-E959 PolarHBondContact OG1-OE2 2.96Å; T957-G960 PolarHBondContact O-N 2.94Å; T957-I961 HydrophobicContact CG2-CB 4.11Å; T957-I961 PolarHBondContact N-O 2.97Å; T957-I961 WeakPolarHBondContact OG1-CB 3.14Å; T957-I961 PolarHBondContact OG1-N 3.24Å; T957-E1026 WeakPolarHBondContact CG2-OE2 3.36Å; T957-L1028 HydrophobicContact CG2-CD1 4.02Å; T957-L1028 HydrophobicContact CG2-CG 4.18Å; T957-I1043 HydrophobicContact CG2-CD1 4.18Å
958	C	95.2	Very high	97.3	Very high	84 Å²	84	41 Å²	41	57%	0.568	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.2	173.9	-65.6	0	0	0	0	113	G960	C958-G960 VanDerWaalsContact C-N 3.33Å
959	E	94	Very high	97.2	Very high	117 Å²	117	41.8 Å²	41.8	55%	0.547	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-7.5	179.3	-52.9	73.3	-156.1	0	0	112.5	T957 I961	T957-E959 WeakPolarHBondContact CB-OE2 3.35Å; T957-E959 PolarHBondContact O-N 3.13Å; T957-E959 PolarHBondContact OG1-N 3.26Å; T957-E959 PolarHBondContact OG1-OE2 2.96Å; E959-I961 HydrophobicContact CB-CD1 4.47Å; E959-I961 HydrophobicContact CB-CG1 4.34Å
960	G	94.6	Very high	97.1	Very high	40 Å²	40	47.2 Å²	47.2	41%	0.412	24%	0.242	S	C	.	.			trans	84	16	-176.1	0	0	0	0	0	114.5	T957 C958	T957-G960 PolarHBondContact O-N 2.94Å; C958-G960 VanDerWaalsContact C-N 3.33Å
961	I	97.5	Very high	96.9	Very high	64 Å²	64	41 Å²	41	33%	0.328	22%	0.221	S	C	.	.			trans	-72.4	130.5	173.3	-60.9	172.3	0	0	0	108.6	I779 F956 T957 E959	I779-I961 HydrophobicContact CD1-CG2 3.77Å; I779-I961 HydrophobicContact CG2-CG2 4.31Å; F956-I961 CarbonylContact C-O 3.52Å; F956-I961 WeakPolarHBondContact CA-O 3.38Å; T957-I961 HydrophobicContact CG2-CB 4.11Å; T957-I961 PolarHBondContact N-O 2.97Å; T957-I961 WeakPolarHBondContact OG1-CB 3.14Å; T957-I961 PolarHBondContact OG1-N 3.24Å; E959-I961 HydrophobicContact CB-CD1 4.47Å; E959-I961 HydrophobicContact CB-CG1 4.34Å
962	T	98.1	Very high	96.7	Very high	16 Å²	16	38.6 Å²	38.6	10%	0.098	21%	0.21	C	C	.	.			trans	-110.5	138.5	171.6	51.4	0	0	0	0	109.1	N797 Q951 M954 F956	N797-T962 PolarHBondContact ND2-OG1 2.87Å; Q951-T962 HydrophobicContact CG-CG2 3.97Å; M954-T962 HydrophobicContact CB-CG2 4.14Å; F956-T962 HydrophobicContact CB-CG2 3.76Å
963	P	98.1	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.218	C	C	.	.			trans	-68.7	142.8	179.2	29.3	-33.4	0	0	0	110.6	I779 A781 N797 P955 I966 I1043	I779-P963 HydrophobicContact CG2-CB 4.49Å; A781-P963 HydrophobicContact CB-CB 3.76Å; A781-P963 HydrophobicContact CB-CG 4.03Å; N797-P963 WeakPolarHBondContact CB-O 3.34Å; P955-P963 HydrophobicContact CG-CG 4.22Å; P955-P963 WeakPolarHBondContact O-CD 3.01Å; P963-I966 HydrophobicContact CB-CG1 4.17Å; P963-I966 HydrophobicContact CG-CD1 3.86Å; P963-I966 HydrophobicContact CG-CG1 3.68Å; P963-I1043 HydrophobicContact CB-CD1 4.41Å
964	D	98.2	Very high	96.3	Very high	31 Å²	31	40.8 Å²	40.8	17%	0.166	24%	0.237	C	C	.	.	S	Bend	trans	-74.2	-35.1	172.1	-61.9	-50.2	0	0	0	110.8	I779 M796 N797 F805	I779-D964 PolarHBondContact N-OD2 2.97Å; I779-D964 PolarHBondContact O-N 3.09Å; M796-D964 CarbonylContact C-O 3.54Å; M796-D964 WeakPolarHBondContact CA-O 3.5Å; N797-D964 PolarHBondContact N-O 3.3Å; F805-D964 HydrophobicContact CE1-CB 4.07Å; F805-D964 HydrophobicContact CE2-CB 4.37Å; F805-D964 HydrophobicContact CZ-CB 3.84Å
965	I	97.8	Very high	96.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	133	-175	-77.7	176.3	0	0	0	109.5	I779 V780 A781 V794 I795 M796 F805 F806 I967 Y1048	I779-I965 PolarHBondContact O-N 3.28Å; I779-I965 VanDerWaalsContact O-N 3.16Å; V780-I965 WeakPolarHBondContact CA-O 3.41Å; V780-I965 HydrophobicContact CG1-CG2 4.33Å; V780-I965 HydrophobicContact CG2-CB 4.26Å; V780-I965 HydrophobicContact CG2-CG2 4.19Å; A781-I965 PolarHBondContact N-O 2.7Å; V794-I965 HydrophobicContact CG2-CB 4.32Å; V794-I965 HydrophobicContact CG2-CG1 4.47Å; V794-I965 HydrophobicContact CG2-CG2 3.32Å; I795-I965 CarbonylContact O-C 3.42Å; I795-I965 WeakPolarHBondContact O-CA 3.18Å; M796-I965 HydrophobicContact CE-CD1 4.44Å; M796-I965 HydrophobicContact CE-CG1 4.44Å; M796-I965 HydrophobicContact CG-CG1 4.29Å; F805-I965 HydrophobicContact CE1-CD1 4.06Å; F805-I965 HydrophobicContact CE1-CG1 4.09Å; F805-I965 HydrophobicContact CZ-CD1 3.92Å; F805-I965 HydrophobicContact CZ-CG1 4.24Å; F806-I965 HydrophobicContact CE2-CD1 4.35Å; I965-I967 HydrophobicContact CG2-CG2 3.98Å; I965-Y1048 HydrophobicContact CD1-CD1 3.79Å; I965-Y1048 HydrophobicContact CD1-CE1 4.25Å; I965-Y1048 HydrophobicContact CD1-CG 4.11Å; I965-Y1048 HydrophobicContact CG2-CE1 4.29Å
966	I	98.3	Very high	96	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.4	170.5	-48.4	179.4	0	0	0	109.8	A781 A783 Y785 I795 M954 P955 P963	A781-I966 HydrophobicContact CB-CG1 4.39Å; A781-I966 VanDerWaalsContact O-CA 3.3Å; A781-I966 WeakPolarHBondContact O-CA 3.33Å; A781-I966 WeakPolarHBondContact O-CG2 3.43Å; A783-I966 HydrophobicContact CB-CG2 4.1Å; Y785-I966 HydrophobicContact CD1-CD1 4.24Å; Y785-I966 HydrophobicContact CG-CD1 4.49Å; I795-I966 HydrophobicContact CB-CB 4.24Å; I795-I966 PolarHBondContact N-O 3.35Å; I795-I966 VanDerWaalsContact N-O 3.09Å; I795-I966 PolarHBondContact O-N 2.92Å; M954-I966 HydrophobicContact CE-CD1 4.36Å; M954-I966 HydrophobicContact CE-CG1 4.46Å; M954-I966 HydrophobicContact SD-CD1 3.8Å; M954-I966 HydrophobicContact SD-CG1 4.5Å; P955-I966 HydrophobicContact CG-CD1 3.79Å; P963-I966 HydrophobicContact CB-CG1 4.17Å; P963-I966 HydrophobicContact CG-CD1 3.86Å; P963-I966 HydrophobicContact CG-CG1 3.68Å
967	I	97.4	Very high	95.8	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.036	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	153.7	174.1	62.4	172.4	0	0	0	111.1	V780 A781 I782 A783 V794 I965 H980 Y1048	V780-I967 HydrophobicContact CG1-CD1 4.11Å; V780-I967 HydrophobicContact CG1-CG1 4Å; A781-I967 PolarHBondContact O-N 2.79Å; I782-I967 WeakPolarHBondContact CA-O 3.33Å; I782-I967 HydrophobicContact CB-CG1 4.33Å; I782-I967 HydrophobicContact CD1-CD1 4.08Å; I782-I967 HydrophobicContact CG1-CD1 3.88Å; I782-I967 HydrophobicContact CG1-CG1 3.81Å; I782-I967 HydrophobicContact CG2-CG1 4.36Å; A783-I967 PolarHBondContact N-O 2.84Å; A783-I967 VanDerWaalsContact O-O 3.1Å; V794-I967 HydrophobicContact CG2-CG2 3.97Å; I965-I967 HydrophobicContact CG2-CG2 3.98Å; I967-H980 WeakPolarHBondContact CD1-NE2 3.2Å; I967-Y1048 WeakPolarHBondContact CG2-OH 3.35Å
968	N	97.1	Very high	95.8	Very high	13 Å²	13	47.5 Å²	47.5	7%	0.07	27%	0.271	C	S	.	.			trans	-81.8	133.6	179.4	179.6	-4.3	0	0	0	111.7	N789 H970 A971	N789-N968 HydrophobicContact CB-CB 4.31Å; N789-N968 WeakPolarHBondContact O-CB 3.46Å; N968-H970 PolarHBondContact O-N 3.14Å; N968-H970 PolarHBondContact OD1-CD2 3.43Å; N968-H970 PolarHBondContact OD1-N 3Å; N968-A971 WeakPolarHBondContact O-CB 3.49Å; N968-A971 PolarHBondContact O-N 3.24Å
969	P	96.5	Very high	95.9	Very high	49 Å²	49	43.5 Å²	43.5	32%	0.318	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-56.5	-29	176.4	21.7	-35.6	0	0	0	114.6	I782 A783 A971 I972 P973	I782-P969 HydrophobicContact CG2-CB 3.92Å; A783-P969 VanDerWaalsContact C-CD 3.42Å; P969-A971 PolarHBondContact O-N 3.2Å; P969-I972 PolarHBondContact O-N 3.49Å; P969-P973 WeakPolarHBondContact O-CD 3.36Å
970	H	95.5	Very high	96.1	Very high	144 Å²	144	38 Å²	38	67%	0.667	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-62.6	-16.7	-179.8	-70.7	-68.6	0	0	0	114	N968 I972	N968-H970 PolarHBondContact O-N 3.14Å; N968-H970 PolarHBondContact OD1-CD2 3.43Å; N968-H970 PolarHBondContact OD1-N 3Å; H970-I972 VanDerWaalsContact C-N 3.26Å; H970-I972 PolarHBondContact O-N 2.98Å
971	A	93.5	Very high	96.2	Very high	9 Å²	9	38.4 Å²	38.4	7%	0.074	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-71.3	-16.1	174.5	0	0	0	0	0	113.9	Q941 N968 P969 R975	Q941-A971 VanDerWaalsContact NE2-CB 3.3Å; N968-A971 WeakPolarHBondContact O-CB 3.49Å; N968-A971 PolarHBondContact O-N 3.24Å; P969-A971 PolarHBondContact O-N 3.2Å; A971-R975 VanDerWaalsContact O-CB 3.29Å; A971-R975 WeakPolarHBondContact O-CB 3.49Å; A971-R975 VanDerWaalsContact O-CD 3.31Å; A971-R975 WeakPolarHBondContact O-CD 3.24Å; A971-R975 WeakPolarHBondContact O-CG 3.47Å
972	I	94.1	Very high	96.2	Very high	18 Å²	18	36 Å²	36	9%	0.092	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-53.2	-173.5	-54	-61.1	0	0	0	112.7	P969 H970 S974 R975 M976 L981	P969-I972 PolarHBondContact O-N 3.49Å; H970-I972 VanDerWaalsContact C-N 3.26Å; H970-I972 PolarHBondContact O-N 2.98Å; I972-S974 PolarHBondContact O-N 3.45Å; I972-R975 PolarHBondContact O-N 3.37Å; I972-M976 PolarHBondContact O-N 3.31Å; I972-L981 HydrophobicContact CD1-CD2 4.47Å; I972-L981 HydrophobicContact CG2-CD1 4.16Å
973	P	94.9	Very high	96.2	Very high	101 Å²	101	35.2 Å²	35.2	66%	0.656	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-40.3	-170.7	-24.3	34.7	0	0	0	114.2	P969 R975 M976	P969-P973 WeakPolarHBondContact O-CD 3.36Å; P973-R975 VanDerWaalsContact C-N 3.35Å; P973-M976 WeakPolarHBondContact O-CG 3.14Å
974	S	91.6	Very high	96.2	Very high	87 Å²	87	35.4 Å²	35.4	61%	0.608	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-23.2	-179.5	59.8	0	0	0	0	113.3	I972	I972-S974 PolarHBondContact O-N 3.45Å
975	R	92.4	Very high	96.1	Very high	28 Å²	28	34.4 Å²	34.4	11%	0.106	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-21	-178.4	-61.2	-163.1	165.9	108.2	20.6	113.7	D792 A971 I972 P973 T977	D792-R975 IonicContact OD1-CZ 2.99Å; D792-R975 IonicContact OD1-NH1 3.76Å; D792-R975 PolarHBondContact OD1-NH1 3.36Å; D792-R975 IonicContact OD1-NH2 2.64Å; D792-R975 PolarHBondContact OD1-NH2 3.15Å; D792-R975 IonicContact OD2-CZ 2.8Å; D792-R975 IonicContact OD2-NH1 2.74Å; D792-R975 IonicContact OD2-NH2 3.09Å; D792-R975 PolarHBondContact OD2-NH2 3.38Å; A971-R975 VanDerWaalsContact O-CB 3.29Å; A971-R975 WeakPolarHBondContact O-CB 3.49Å; A971-R975 VanDerWaalsContact O-CD 3.31Å; A971-R975 WeakPolarHBondContact O-CD 3.24Å; A971-R975 WeakPolarHBondContact O-CG 3.47Å; I972-R975 PolarHBondContact O-N 3.37Å; P973-R975 VanDerWaalsContact C-N 3.35Å; R975-T977 HydrophobicContact CB-CG2 4.01Å; R975-T977 PolarHBondContact O-N 3.42Å
976	M	96	Very high	96.1	Very high	110 Å²	110	35.3 Å²	35.3	54%	0.542	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	42.4	-179.5	-56.6	177.4	67.2	0	0	112.1	Q718 I972 P973 I978	Q718-M976 HydrophobicContact CB-CB 4.37Å; I972-M976 PolarHBondContact O-N 3.31Å; P973-M976 WeakPolarHBondContact O-CG 3.14Å; M976-I978 VanDerWaalsContact C-N 3.31Å; M976-I978 PolarHBondContact O-N 2.82Å; M976-I978 VanDerWaalsContact O-N 3.17Å
977	T	95.1	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-88.1	67.7	177.7	50.2	0	0	0	0	110.3	R721 H939 R975 G979 H980	R721-T977 HydrophobicContact CB-CG2 4.12Å; R721-T977 HydrophobicContact CG-CG2 3.68Å; H939-T977 HydrophobicContact CB-CG2 4.27Å; H939-T977 WeakPolarHBondContact O-CG2 3.46Å; R975-T977 HydrophobicContact CB-CG2 4.01Å; R975-T977 PolarHBondContact O-N 3.42Å; T977-G979 VanDerWaalsContact C-N 3.31Å; T977-G979 PolarHBondContact O-N 3.13Å; T977-H980 WeakPolarHBondContact O-CB 3.38Å; T977-H980 PolarHBondContact O-N 3.09Å
978	I	97	Very high	96.1	Very high	80 Å²	80	35.6 Å²	35.6	41%	0.41	20%	0.195	S	C	.	.	H	α-helix	trans	-69.3	-32.5	-177.2	-56.1	-55.8	0	0	0	111.3	M976 H980 L981 I982	M976-I978 VanDerWaalsContact C-N 3.31Å; M976-I978 PolarHBondContact O-N 2.82Å; M976-I978 VanDerWaalsContact O-N 3.17Å; I978-H980 PolarHBondContact O-N 2.89Å; I978-H980 VanDerWaalsContact O-N 3.08Å; I978-L981 HydrophobicContact CD1-CD1 4.3Å; I978-L981 WeakPolarHBondContact O-CB 3.36Å; I978-L981 PolarHBondContact O-N 3.35Å; I978-I982 HydrophobicContact CG2-CD1 4.12Å; I978-I982 HydrophobicContact CG2-CG1 4.3Å; I978-I982 WeakPolarHBondContact O-CG1 3.5Å; I978-I982 PolarHBondContact O-N 3.46Å; I978-I982 VanDerWaalsContact O-N 3.11Å
979	G	96.4	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-51.7	-33.2	172.7	0	0	0	0	0	113.3	N717 H939 T977 L981 I982 E983	N717-G979 WeakPolarHBondContact OD1-CA 3.42Å; N717-G979 PolarHBondContact OD1-N 3.4Å; H939-G979 PolarHBondContact CE1-O 2.95Å; H939-G979 PolarHBondContact NE2-O 2.87Å; T977-G979 VanDerWaalsContact C-N 3.31Å; T977-G979 PolarHBondContact O-N 3.13Å; G979-L981 PolarHBondContact O-N 3.04Å; G979-I982 PolarHBondContact O-N 2.86Å; G979-E983 WeakPolarHBondContact O-CB 3.47Å; G979-E983 PolarHBondContact O-N 3.48Å
980	H	97.6	Very high	96.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-65.7	-36.8	176.5	-176.3	54.3	0	0	0	113	S937 H939 Q941 I967 T977 I978 C984 Y1048	S937-H980 PolarHBondContact OG-ND1 2.75Å; S937-H980 VanDerWaalsContact OG-ND1 3.09Å; H939-H980 HydrophobicContact CB-CB 4.05Å; H939-H980 VanDerWaalsContact CD2-CA 3.48Å; H939-H980 WeakPolarHBondContact CD2-CA 3.46Å; H939-H980 AromaticContact CD2-ND1 3.9Å; H939-H980 PolarHBondContact CE1-N 3.26Å; H939-H980 PolarHBondContact ND1-N 3.29Å; Q941-H980 PolarHBondContact OE1-CD2 3.09Å; I967-H980 WeakPolarHBondContact CD1-NE2 3.2Å; T977-H980 WeakPolarHBondContact O-CB 3.38Å; T977-H980 PolarHBondContact O-N 3.09Å; I978-H980 PolarHBondContact O-N 2.89Å; I978-H980 VanDerWaalsContact O-N 3.08Å; H980-C984 WeakPolarHBondContact O-CB 3.39Å; H980-C984 PolarHBondContact O-N 3.43Å; H980-C984 VanDerWaalsContact O-N 3.14Å; H980-Y1048 AromaticContact CE1-CE2 3.97Å
981	L	97.4	Very high	96.2	Very high	49 Å²	49	28.5 Å²	28.5	26%	0.257	17%	0.166	S	C	.	.	H	α-helix	trans	-71.4	-40.3	176.4	-57.9	-179.8	0	0	0	110.9	I782 I972 I978 G979 C984 L985 F1042	I782-L981 HydrophobicContact CD1-CD2 3.47Å; I782-L981 VanDerWaalsContact CD1-CD2 3.47Å; I972-L981 HydrophobicContact CD1-CD2 4.47Å; I972-L981 HydrophobicContact CG2-CD1 4.16Å; I978-L981 HydrophobicContact CD1-CD1 4.3Å; I978-L981 WeakPolarHBondContact O-CB 3.36Å; I978-L981 PolarHBondContact O-N 3.35Å; G979-L981 PolarHBondContact O-N 3.04Å; L981-C984 PolarHBondContact O-N 2.62Å; L981-L985 PolarHBondContact O-N 3.33Å; L981-F1042 HydrophobicContact CB-CZ 4.43Å; L981-F1042 HydrophobicContact CD2-CD1 4.31Å; L981-F1042 HydrophobicContact CD2-CE1 3.97Å
982	I	97.4	Very high	96.3	Very high	12 Å²	12	30.9 Å²	30.9	6%	0.062	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-43	177.2	-56.5	171.6	0	0	0	110	F713 H716 I978 G979 C984 L985 Q986 V1008 I1011	F713-I982 HydrophobicContact CD1-CG2 4.43Å; F713-I982 HydrophobicContact CD2-CB 4.09Å; F713-I982 HydrophobicContact CD2-CG2 3.68Å; F713-I982 HydrophobicContact CE1-CG2 4.3Å; F713-I982 HydrophobicContact CE2-CB 4.33Å; F713-I982 HydrophobicContact CE2-CG2 3.52Å; F713-I982 HydrophobicContact CG-CG2 4.15Å; F713-I982 HydrophobicContact CZ-CG2 3.86Å; H716-I982 HydrophobicContact CB-CD1 4.06Å; I978-I982 HydrophobicContact CG2-CD1 4.12Å; I978-I982 HydrophobicContact CG2-CG1 4.3Å; I978-I982 WeakPolarHBondContact O-CG1 3.5Å; I978-I982 PolarHBondContact O-N 3.46Å; I978-I982 VanDerWaalsContact O-N 3.11Å; G979-I982 PolarHBondContact O-N 2.86Å; I982-C984 VanDerWaalsContact C-N 3.32Å; I982-C984 PolarHBondContact O-N 2.92Å; I982-L985 PolarHBondContact O-N 3.19Å; I982-Q986 WeakPolarHBondContact O-CB 3.41Å; I982-Q986 PolarHBondContact O-N 2.95Å; I982-V1008 HydrophobicContact CD1-CG2 4.1Å; I982-V1008 HydrophobicContact CG1-CG2 4.03Å; I982-I1011 HydrophobicContact CG2-CD1 4.21Å
983	E	98	Very high	96.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-56.2	-46.5	174	-174.5	-170.2	-177.5	0	0	111.1	P712 V759 R938 H939 G979 L985 G987 T1046 Y1047	P712-E983 HydrophobicContact CG-CB 4.22Å; P712-E983 HydrophobicContact CG-CG 3.95Å; V759-E983 HydrophobicContact CB-CG 4.12Å; V759-E983 HydrophobicContact CG1-CG 4.29Å; V759-E983 HydrophobicContact CG2-CG 4.38Å; R938-E983 IonicContact CZ-OE1 3.62Å; R938-E983 IonicContact NE-OE1 3.61Å; R938-E983 PolarHBondContact NE-OE1 3.05Å; R938-E983 IonicContact NH2-OE1 3.65Å; R938-E983 PolarHBondContact NH2-OE1 3.24Å; H939-E983 IonicContact CD2-OE2 2.89Å; H939-E983 PolarHBondContact CD2-OE2 3.35Å; H939-E983 VanDerWaalsContact CD2-OE2 3.29Å; H939-E983 IonicContact NE2-OE2 3.6Å; H939-E983 PolarHBondContact NE2-OE2 3.37Å; G979-E983 WeakPolarHBondContact O-CB 3.47Å; G979-E983 PolarHBondContact O-N 3.48Å; E983-L985 PolarHBondContact O-N 3.34Å; E983-G987 WeakPolarHBondContact O-CA 3.46Å; E983-G987 PolarHBondContact O-N 3.05Å; E983-T1046 HydrophobicContact CG-CG2 4.3Å; E983-T1046 WeakPolarHBondContact OE2-CG2 3.41Å; E983-Y1047 PolarHBondContact OE1-N 2.85Å
984	C	97.6	Very high	96.4	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.02	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-41.7	179.4	-172.1	0	0	0	0	112.5	H980 L981 I982 K988 F1042 G1044	H980-C984 WeakPolarHBondContact O-CB 3.39Å; H980-C984 PolarHBondContact O-N 3.43Å; H980-C984 VanDerWaalsContact O-N 3.14Å; L981-C984 PolarHBondContact O-N 2.62Å; I982-C984 VanDerWaalsContact C-N 3.32Å; I982-C984 PolarHBondContact O-N 2.92Å; C984-K988 PolarHBondContact O-N 3.05Å; C984-K988 VanDerWaalsContact O-N 3.16Å; C984-F1042 HydrophobicContact CB-CE1 3.63Å; C984-F1042 HydrophobicContact CB-CZ 4Å; C984-F1042 WeakPolarHBondContact SG-CE1 3.38Å; C984-G1044 VanDerWaalsContact SG-C 3.54Å; C984-G1044 WeakPolarHBondContact SG-CA 3.39Å; C984-G1044 PolarHBondContact SG-N 2.95Å; C984-G1044 VanDerWaalsContact SG-N 3.37Å
985	L	97.6	Very high	96.6	Very high	10 Å²	10	34 Å²	34	5%	0.052	19%	0.192	C	C	.	.	H	α-helix	trans	-67.9	-48.7	178.2	-167.3	71.2	0	0	0	111.4	L981 I982 E983 G987 K988 V989 V1008 I1011 L1015	L981-L985 PolarHBondContact O-N 3.33Å; I982-L985 PolarHBondContact O-N 3.19Å; E983-L985 PolarHBondContact O-N 3.34Å; L985-G987 VanDerWaalsContact C-N 3.29Å; L985-G987 PolarHBondContact O-N 3.17Å; L985-K988 PolarHBondContact O-N 3.34Å; L985-V989 PolarHBondContact O-N 2.83Å; L985-V989 VanDerWaalsContact O-N 3.16Å; L985-V1008 HydrophobicContact CD2-CG1 4.22Å; L985-I1011 HydrophobicContact CB-CG2 4.41Å; L985-I1011 HydrophobicContact CD2-CB 4.31Å; L985-I1011 HydrophobicContact CD2-CG2 3.81Å; L985-I1011 HydrophobicContact CG-CG2 3.77Å; L985-L1015 HydrophobicContact CD1-CD2 3.51Å; L985-L1015 HydrophobicContact CG-CD2 4.48Å
986	Q	97.4	Very high	96.8	Very high	20 Å²	20	36 Å²	36	9%	0.093	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-38.8	176.5	-177.9	57.9	44.7	0	0	111.1	V759 I982 K988 V989 S990 I1011	V759-Q986 HydrophobicContact CG1-CB 4.3Å; V759-Q986 HydrophobicContact CG1-CG 3.97Å; V759-Q986 HydrophobicContact CG2-CB 3.99Å; V759-Q986 HydrophobicContact CG2-CG 3.84Å; I982-Q986 WeakPolarHBondContact O-CB 3.41Å; I982-Q986 PolarHBondContact O-N 2.95Å; Q986-K988 VanDerWaalsContact C-N 3.29Å; Q986-K988 PolarHBondContact O-N 2.9Å; Q986-V989 PolarHBondContact O-N 3.09Å; Q986-S990 PolarHBondContact NE2-OG 3.17Å; Q986-S990 VanDerWaalsContact NE2-OG 3.09Å; Q986-S990 VanDerWaalsContact O-CB 3.25Å; Q986-S990 WeakPolarHBondContact O-CB 3.17Å; Q986-S990 PolarHBondContact O-N 3.38Å; Q986-S990 PolarHBondContact O-OG 3.38Å; Q986-I1011 HydrophobicContact CB-CD1 4.29Å; Q986-I1011 VanDerWaalsContact OE1-CD1 3.22Å; Q986-I1011 VanDerWaalsContact OE1-CG1 3.23Å
987	G	97.4	Very high	96.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-37.9	177.5	0	0	0	0	0	112.2	V759 E983 L985 A991	V759-G987 VanDerWaalsContact CG2-CA 3.47Å; V759-G987 VanDerWaalsContact CG2-N 3.35Å; E983-G987 WeakPolarHBondContact O-CA 3.46Å; E983-G987 PolarHBondContact O-N 3.05Å; L985-G987 VanDerWaalsContact C-N 3.29Å; L985-G987 PolarHBondContact O-N 3.17Å; G987-A991 WeakPolarHBondContact O-CB 3.36Å; G987-A991 PolarHBondContact O-N 2.88Å
988	K	97.4	Very high	96.6	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.057	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-47.6	174.8	-173.3	177.3	-67.1	-171.4	0	111.7	C984 L985 Q986 S990 A991 N992 L1015 Y1020 G1024 E1026 I1043	C984-K988 PolarHBondContact O-N 3.05Å; C984-K988 VanDerWaalsContact O-N 3.16Å; L985-K988 PolarHBondContact O-N 3.34Å; Q986-K988 VanDerWaalsContact C-N 3.29Å; Q986-K988 PolarHBondContact O-N 2.9Å; K988-S990 VanDerWaalsContact C-N 3.32Å; K988-S990 PolarHBondContact O-N 3.36Å; K988-A991 PolarHBondContact O-N 3.48Å; K988-N992 PolarHBondContact O-N 2.86Å; K988-N992 VanDerWaalsContact O-N 3.12Å; K988-N992 PolarHBondContact O-ND2 2.93Å; K988-L1015 HydrophobicContact CD-CD1 3.77Å; K988-L1015 HydrophobicContact CD-CD2 4.24Å; K988-L1015 HydrophobicContact CG-CD1 3.89Å; K988-Y1020 HydrophobicContact CD-CD1 4.47Å; K988-G1024 PolarHBondContact NZ-O 2.85Å; K988-E1026 IonicContact NZ-OE1 2.66Å; K988-E1026 PolarHBondContact NZ-OE1 3.33Å; K988-I1043 WeakPolarHBondContact CE-O 3.22Å; K988-I1043 PolarHBondContact NZ-O 3.44Å
989	V	97.5	Very high	96.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-59.9	-44.7	176.2	174.1	0	0	0	0	111	L985 Q986 A991 N992 K993 I1011 L1014 L1015	L985-V989 PolarHBondContact O-N 2.83Å; L985-V989 VanDerWaalsContact O-N 3.16Å; Q986-V989 PolarHBondContact O-N 3.09Å; V989-A991 PolarHBondContact O-N 2.88Å; V989-N992 PolarHBondContact O-N 3.37Å; V989-K993 WeakPolarHBondContact O-CB 3.25Å; V989-K993 PolarHBondContact O-N 3.15Å; V989-I1011 HydrophobicContact CB-CG2 4.47Å; V989-I1011 HydrophobicContact CG2-CG2 3.74Å; V989-L1014 HydrophobicContact CG1-CB 4Å; V989-L1014 HydrophobicContact CG1-CD1 4.31Å; V989-L1015 HydrophobicContact CG2-CB 3.73Å; V989-L1015 HydrophobicContact CG2-CD1 4.01Å; V989-L1015 HydrophobicContact CG2-CG 4.37Å
990	S	96.9	Very high	96.5	Very high	3 Å²	3	29 Å²	29	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-61.4	-44.9	-179.6	-56.9	0	0	0	0	111.5	Q986 K988 N992 G994 E995 G997	Q986-S990 PolarHBondContact NE2-OG 3.17Å; Q986-S990 VanDerWaalsContact NE2-OG 3.09Å; Q986-S990 VanDerWaalsContact O-CB 3.25Å; Q986-S990 WeakPolarHBondContact O-CB 3.17Å; Q986-S990 PolarHBondContact O-N 3.38Å; Q986-S990 PolarHBondContact O-OG 3.38Å; K988-S990 VanDerWaalsContact C-N 3.32Å; K988-S990 PolarHBondContact O-N 3.36Å; S990-N992 PolarHBondContact O-N 2.92Å; S990-G994 WeakPolarHBondContact O-CA 3.49Å; S990-G994 PolarHBondContact O-N 3.4Å; S990-E995 CarbonylContact C-O 3.43Å; S990-E995 WeakPolarHBondContact CA-O 3.32Å; S990-E995 WeakPolarHBondContact CB-O 3.42Å; S990-E995 PolarHBondContact O-N 2.98Å; S990-G997 WeakPolarHBondContact OG-CA 3.49Å; S990-G997 PolarHBondContact OG-N 2.83Å
991	A	96.8	Very high	96.4	Very high	52 Å²	52	29.2 Å²	29.2	43%	0.43	17%	0.172	S	C	.	.	H	α-helix	trans	-63.9	-38.4	177.4	0	0	0	0	0	113	L758 G987 K988 V989 P1045	L758-A991 HydrophobicContact CD1-CB 4.44Å; G987-A991 WeakPolarHBondContact O-CB 3.36Å; G987-A991 PolarHBondContact O-N 2.88Å; K988-A991 PolarHBondContact O-N 3.48Å; V989-A991 PolarHBondContact O-N 2.88Å; A991-P1045 HydrophobicContact CB-CG 4.33Å
992	N	96.6	Very high	96.1	Very high	60 Å²	60	31.8 Å²	31.8	32%	0.321	18%	0.181	S	C	.	.	H	α-helix	trans	-77.4	-39.4	179.3	-71.9	-30.3	0	0	0	112.9	K988 V989 S990 G994 Y1018 Y1020	K988-N992 PolarHBondContact O-N 2.86Å; K988-N992 VanDerWaalsContact O-N 3.12Å; K988-N992 PolarHBondContact O-ND2 2.93Å; V989-N992 PolarHBondContact O-N 3.37Å; S990-N992 PolarHBondContact O-N 2.92Å; N992-G994 VanDerWaalsContact C-N 3.34Å; N992-Y1018 HydrophobicContact CB-CD1 4.12Å; N992-Y1018 HydrophobicContact CB-CD2 4.32Å; N992-Y1018 HydrophobicContact CB-CE1 4.45Å; N992-Y1018 HydrophobicContact CB-CG 4.08Å; N992-Y1020 WeakPolarHBondContact ND2-CE2 3.43Å
993	K	96.8	Very high	95.6	Very high	94 Å²	94	32.3 Å²	32.3	41%	0.409	18%	0.184	S	C	.	.	H	α-helix	trans	-74.7	-25.2	178.9	-172.2	172.7	-175.9	-162.1	0	112.6	V989 E995 Y1018	V989-K993 WeakPolarHBondContact O-CB 3.25Å; V989-K993 PolarHBondContact O-N 3.15Å; K993-E995 VanDerWaalsContact C-N 3.32Å; K993-E995 HydrophobicContact CB-CB 4.49Å; K993-E995 HydrophobicContact CD-CB 4.21Å; K993-E995 VanDerWaalsContact CD-OE2 3.31Å; K993-E995 WeakPolarHBondContact CD-OE2 3.41Å; K993-E995 WeakPolarHBondContact CE-OE2 3.38Å; K993-E995 HydrophobicContact CG-CB 4.14Å; K993-E995 IonicContact NZ-OE2 2.75Å; K993-E995 PolarHBondContact NZ-OE2 3.16Å; K993-Y1018 WeakPolarHBondContact CA-OH 3.5Å; K993-Y1018 HydrophobicContact CB-CE2 4.2Å; K993-Y1018 WeakPolarHBondContact CB-OH 3.32Å; K993-Y1018 WeakPolarHBondContact CG-OH 3.47Å
994	G	94.6	Very high	94.6	Very high	73 Å²	73	39.2 Å²	39.2	75%	0.753	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	14.8	-173	0	0	0	0	0	113.7	S990 N992	S990-G994 WeakPolarHBondContact O-CA 3.49Å; S990-G994 PolarHBondContact O-N 3.4Å; N992-G994 VanDerWaalsContact C-N 3.34Å
995	E	95.1	Very high	93.7	Very high	105 Å²	105	41.9 Å²	41.9	49%	0.491	24%	0.243	S	C	.	.	S	Bend	trans	-105.8	157.6	-179.7	-166.4	171	-158.2	0	0	110.5	S990 K993	S990-E995 CarbonylContact C-O 3.43Å; S990-E995 WeakPolarHBondContact CA-O 3.32Å; S990-E995 WeakPolarHBondContact CB-O 3.42Å; S990-E995 PolarHBondContact O-N 2.98Å; K993-E995 VanDerWaalsContact C-N 3.32Å; K993-E995 HydrophobicContact CB-CB 4.49Å; K993-E995 HydrophobicContact CD-CB 4.21Å; K993-E995 VanDerWaalsContact CD-OE2 3.31Å; K993-E995 WeakPolarHBondContact CD-OE2 3.41Å; K993-E995 WeakPolarHBondContact CE-OE2 3.38Å; K993-E995 HydrophobicContact CG-CB 4.14Å; K993-E995 IonicContact NZ-OE2 2.75Å; K993-E995 PolarHBondContact NZ-OE2 3.16Å
996	I	95.6	Very high	93.2	Very high	69 Å²	69	43.1 Å²	43.1	35%	0.354	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-87.4	123.8	170.8	-61.1	-61.1	0	0	0	108.3	T760 D998	T760-I996 HydrophobicContact CG2-CG2 3.39Å; I996-D998 PolarHBondContact O-N 3.02Å
997	G	94.1	Very high	93	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128.3	-179.6	0	0	0	0	0	111.9	L758 V759 T760 S990	L758-G997 PolarHBondContact O-N 2.92Å; V759-G997 WeakPolarHBondContact CA-O 3.28Å; T760-G997 PolarHBondContact N-O 2.76Å; S990-G997 WeakPolarHBondContact OG-CA 3.49Å; S990-G997 PolarHBondContact OG-N 2.83Å
998	D	94.3	Very high	92.8	Very high	38 Å²	38	48.5 Å²	48.5	20%	0.203	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	121	172.6	-167.3	-8.5	0	0	0	110.4	R762 I996 T1000	R762-D998 IonicContact CZ-OD2 3.27Å; R762-D998 IonicContact NE-OD2 3.17Å; R762-D998 PolarHBondContact NE-OD2 3.35Å; R762-D998 IonicContact NH2-OD2 3.99Å; I996-D998 PolarHBondContact O-N 3.02Å; D998-T1000 WeakPolarHBondContact OD1-CB 3.27Å; D998-T1000 PolarHBondContact OD1-N 3.43Å; D998-T1000 PolarHBondContact OD1-OG1 2.98Å
999	A	95.9	Very high	92.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.299	C	S	.	.			trans	-121.6	25.4	177.5	0	0	0	0	0	112.9	P712 F713 V759 T760	P712-A999 HydrophobicContact CB-CB 3.57Å; F713-A999 HydrophobicContact CD1-CB 4.26Å; F713-A999 HydrophobicContact CD2-CB 3.76Å; F713-A999 HydrophobicContact CE1-CB 3.95Å; F713-A999 HydrophobicContact CE2-CB 3.4Å; F713-A999 VanDerWaalsContact CE2-CB 3.4Å; F713-A999 HydrophobicContact CG-CB 4.17Å; F713-A999 HydrophobicContact CZ-CB 3.51Å; F713-A999 PolarHBondContact N-O 3.28Å; F713-A999 VanDerWaalsContact N-O 3.16Å; V759-A999 HydrophobicContact CG1-CB 3.44Å; V759-A999 VanDerWaalsContact CG1-CB 3.44Å; T760-A999 PolarHBondContact O-N 3.12Å
1000	T	95	Very high	92.6	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.018	32%	0.32	C	S	.	.			trans	-54.5	133.4	175.2	-63.7	0	0	0	0	110.6	W27 R762 D998 N1003	W27-T1000 HydrophobicContact CH2-CG2 4.12Å; W27-T1000 HydrophobicContact CZ2-CG2 3.49Å; W27-T1000 VanDerWaalsContact CZ2-CG2 3.49Å; R762-T1000 PolarHBondContact N-OG1 3.39Å; R762-T1000 VanDerWaalsContact N-OG1 3.09Å; D998-T1000 WeakPolarHBondContact OD1-CB 3.27Å; D998-T1000 PolarHBondContact OD1-N 3.43Å; D998-T1000 PolarHBondContact OD1-OG1 2.98Å; T1000-N1003 WeakPolarHBondContact O-CB 3.48Å
1001	P	94.1	Very high	92.5	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.026	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	148.2	178.7	-11.3	23.5	0	0	0	111.4	L704 P714 N1003	L704-P1001 HydrophobicContact CD1-CG 3.82Å; P714-P1001 HydrophobicContact CG-CB 3.79Å; P714-P1001 HydrophobicContact CG-CG 3.48Å; P714-P1001 VanDerWaalsContact CG-CG 3.48Å; P1001-N1003 PolarHBondContact O-N 3.32Å
1002	F	91.8	Very high	92.5	Very high	103 Å²	103	54.2 Å²	54.2	45%	0.452	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	23.2	177.3	-43	-68.7	0	0	0	114.8	P700 I703 D715 D1004	P700-F1002 HydrophobicContact CB-CD2 3.71Å; P700-F1002 HydrophobicContact CB-CE2 4.17Å; P700-F1002 HydrophobicContact CB-CG 4.32Å; I703-F1002 HydrophobicContact CD1-CE2 4.46Å; D715-F1002 HydrophobicContact CB-CD1 4.23Å; D715-F1002 HydrophobicContact CB-CE1 3.89Å; D715-F1002 HydrophobicContact CB-CZ 4.42Å; D715-F1002 PolarHBondContact OD2-N 2.99Å; F1002-D1004 PolarHBondContact O-N 3.48Å
1003	N	86.6	Confident	92.5	Very high	24 Å²	24	55.3 Å²	55.3	13%	0.128	31%	0.305	C	S	.	.			trans	-85.9	106.5	174.1	-175.4	0.3	0	0	0	110.2	T1000 P1001 A1005 V1006	T1000-N1003 WeakPolarHBondContact O-CB 3.48Å; P1001-N1003 PolarHBondContact O-N 3.32Å; N1003-A1005 PolarHBondContact O-N 2.64Å; N1003-A1005 WeakPolarHBondContact OD1-CB 3.23Å; N1003-A1005 PolarHBondContact OD1-N 3.09Å; N1003-V1006 HydrophobicContact CB-CG1 3.94Å
1004	D	77.8	Confident	92.4	Very high	146 Å²	146	53.8 Å²	53.8	78%	0.781	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.7	179.9	-152.2	22.3	0	0	0	112.8	F1002 V1006	F1002-D1004 PolarHBondContact O-N 3.48Å; D1004-V1006 PolarHBondContact O-N 3.45Å
1005	A	78.8	Confident	92.5	Very high	59 Å²	59	50.3 Å²	50.3	49%	0.488	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.7	176.6	0	0	0	0	0	112.6	N1003 K1010	N1003-A1005 PolarHBondContact O-N 2.64Å; N1003-A1005 WeakPolarHBondContact OD1-CB 3.23Å; N1003-A1005 PolarHBondContact OD1-N 3.09Å; A1005-K1010 WeakPolarHBondContact O-CD 3.26Å; A1005-K1010 PolarHBondContact O-NZ 2.83Å
1006	V	87.1	Confident	92.6	Very high	35 Å²	35	48.3 Å²	48.3	21%	0.212	26%	0.263	C	S	.	.			trans	-114	123	179.7	63.6	0	0	0	0	110.9	F713 N1003 D1004 I1011	F713-V1006 HydrophobicContact CE1-CG1 4.12Å; N1003-V1006 HydrophobicContact CB-CG1 3.94Å; D1004-V1006 PolarHBondContact O-N 3.45Å; V1006-I1011 HydrophobicContact CG2-CD1 3.93Å; V1006-I1011 HydrophobicContact CG2-CG1 4.14Å
1007	N	92.3	Very high	92.6	Very high	70 Å²	70	51 Å²	51	37%	0.374	28%	0.278	S	S	.	.			trans	-139.2	162.7	174	68.4	31.2	0	0	0	110.8	Q1009 K1010 I1011	N1007-Q1009 PolarHBondContact O-N 3.16Å; N1007-Q1009 VanDerWaalsContact O-N 3.14Å; N1007-Q1009 PolarHBondContact OD1-N 3.29Å; N1007-K1010 PolarHBondContact O-N 3.5Å; N1007-K1010 WeakPolarHBondContact OD1-CB 3.42Å; N1007-K1010 WeakPolarHBondContact OD1-CG 3.46Å; N1007-K1010 PolarHBondContact OD1-N 2.89Å; N1007-I1011 WeakPolarHBondContact O-CG1 3.42Å; N1007-I1011 PolarHBondContact O-N 2.82Å; N1007-I1011 VanDerWaalsContact O-N 3.15Å
1008	V	94.4	Very high	92.7	Very high	64 Å²	64	55.7 Å²	55.7	39%	0.388	30%	0.295	S	S	.	.	H	α-helix	trans	-57.7	-32.9	-176.6	-179.1	0	0	0	0	111.9	I982 L985 S1012	I982-V1008 HydrophobicContact CD1-CG2 4.1Å; I982-V1008 HydrophobicContact CG1-CG2 4.03Å; L985-V1008 HydrophobicContact CD2-CG1 4.22Å; V1008-S1012 VanDerWaalsContact O-CB 3.32Å; V1008-S1012 WeakPolarHBondContact O-CB 3.37Å; V1008-S1012 PolarHBondContact O-N 3.49Å; V1008-S1012 PolarHBondContact O-OG 3.4Å
1009	Q	95.4	Very high	92.8	Very high	84 Å²	84	57.4 Å²	57.4	39%	0.393	32%	0.321	S	S	.	.	H	α-helix	trans	-71.5	-42	-178.9	-170.4	58.4	35.1	0	0	112.3	N1007 S1012 N1013	N1007-Q1009 PolarHBondContact O-N 3.16Å; N1007-Q1009 VanDerWaalsContact O-N 3.14Å; N1007-Q1009 PolarHBondContact OD1-N 3.29Å; Q1009-S1012 WeakPolarHBondContact O-CB 3.41Å; Q1009-S1012 PolarHBondContact O-N 2.79Å; Q1009-N1013 PolarHBondContact NE2-OD1 3.27Å; Q1009-N1013 VanDerWaalsContact O-CG 3.28Å; Q1009-N1013 PolarHBondContact O-N 3.26Å; Q1009-N1013 PolarHBondContact O-OD1 3.31Å
1010	K	94.1	Very high	92.8	Very high	101 Å²	101	60.4 Å²	60.4	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-59.2	-46.9	172.8	-76.4	173.7	172	175.2	0	110.7	A1005 N1007 S1012 N1013 L1014	A1005-K1010 WeakPolarHBondContact O-CD 3.26Å; A1005-K1010 PolarHBondContact O-NZ 2.83Å; N1007-K1010 PolarHBondContact O-N 3.5Å; N1007-K1010 WeakPolarHBondContact OD1-CB 3.42Å; N1007-K1010 WeakPolarHBondContact OD1-CG 3.46Å; N1007-K1010 PolarHBondContact OD1-N 2.89Å; K1010-S1012 VanDerWaalsContact C-N 3.29Å; K1010-S1012 PolarHBondContact O-N 2.78Å; K1010-N1013 PolarHBondContact O-N 3.41Å; K1010-L1014 WeakPolarHBondContact O-CG 3.38Å; K1010-L1014 PolarHBondContact O-N 3.07Å
1011	I	95.6	Very high	92.9	Very high	3 Å²	3	64.8 Å²	64.8	2%	0.015	35%	0.353	C	S	.	.	H	α-helix	trans	-60.6	-41.4	176.3	-57	171.3	0	0	0	110.7	I982 L985 Q986 V989 V1006 N1007 L1014 L1015	I982-I1011 HydrophobicContact CG2-CD1 4.21Å; L985-I1011 HydrophobicContact CB-CG2 4.41Å; L985-I1011 HydrophobicContact CD2-CB 4.31Å; L985-I1011 HydrophobicContact CD2-CG2 3.81Å; L985-I1011 HydrophobicContact CG-CG2 3.77Å; Q986-I1011 HydrophobicContact CB-CD1 4.29Å; Q986-I1011 VanDerWaalsContact OE1-CD1 3.22Å; Q986-I1011 VanDerWaalsContact OE1-CG1 3.23Å; V989-I1011 HydrophobicContact CB-CG2 4.47Å; V989-I1011 HydrophobicContact CG2-CG2 3.74Å; V1006-I1011 HydrophobicContact CG2-CD1 3.93Å; V1006-I1011 HydrophobicContact CG2-CG1 4.14Å; N1007-I1011 WeakPolarHBondContact O-CG1 3.42Å; N1007-I1011 PolarHBondContact O-N 2.82Å; N1007-I1011 VanDerWaalsContact O-N 3.15Å; I1011-L1014 PolarHBondContact O-N 3.29Å; I1011-L1015 WeakPolarHBondContact O-CB 3.29Å; I1011-L1015 PolarHBondContact O-N 3.49Å
1012	S	95.9	Very high	92.9	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-64.6	-41.3	179.4	-60.8	0	0	0	0	112.5	V1008 Q1009 K1010 L1015 S1016 L1022 R1023	V1008-S1012 VanDerWaalsContact O-CB 3.32Å; V1008-S1012 WeakPolarHBondContact O-CB 3.37Å; V1008-S1012 PolarHBondContact O-N 3.49Å; V1008-S1012 PolarHBondContact O-OG 3.4Å; Q1009-S1012 WeakPolarHBondContact O-CB 3.41Å; Q1009-S1012 PolarHBondContact O-N 2.79Å; K1010-S1012 VanDerWaalsContact C-N 3.29Å; K1010-S1012 PolarHBondContact O-N 2.78Å; S1012-L1015 PolarHBondContact O-N 3.43Å; S1012-S1016 PolarHBondContact O-N 3.48Å; S1012-S1016 VanDerWaalsContact O-N 3.08Å; S1012-L1022 VanDerWaalsContact CA-O 3.31Å; S1012-L1022 WeakPolarHBondContact CA-O 3.47Å; S1012-L1022 WeakPolarHBondContact CB-O 3.2Å; S1012-L1022 WeakPolarHBondContact O-CB 3.29Å; S1012-L1022 PolarHBondContact OG-O 3.48Å; S1012-R1023 PolarHBondContact OG-NH1 3.14Å
1013	N	96.8	Very high	93.1	Very high	83 Å²	83	67.6 Å²	67.6	44%	0.444	37%	0.365	S	S	.	.	H	α-helix	trans	-64.3	-47.4	176.6	-67.1	-9.9	0	0	0	110.2	Q1009 K1010 L1015 S1016 D1017	Q1009-N1013 PolarHBondContact NE2-OD1 3.27Å; Q1009-N1013 VanDerWaalsContact O-CG 3.28Å; Q1009-N1013 PolarHBondContact O-N 3.26Å; Q1009-N1013 PolarHBondContact O-OD1 3.31Å; K1010-N1013 PolarHBondContact O-N 3.41Å; N1013-L1015 VanDerWaalsContact C-N 3.28Å; N1013-L1015 PolarHBondContact O-N 3.34Å; N1013-S1016 VanDerWaalsContact O-CB 3.27Å; N1013-S1016 WeakPolarHBondContact O-CB 3.46Å; N1013-S1016 PolarHBondContact O-N 3.37Å; N1013-D1017 PolarHBondContact O-N 3.14Å; N1013-D1017 VanDerWaalsContact O-N 3.15Å
1014	L	95.9	Very high	93.5	Very high	63 Å²	63	66.6 Å²	66.6	33%	0.33	36%	0.36	S	S	.	.	H	α-helix	trans	-57.6	-40.5	175.4	-70.6	173.3	0	0	0	112.2	V989 K1010 I1011 S1016 D1017 Y1018	V989-L1014 HydrophobicContact CG1-CB 4Å; V989-L1014 HydrophobicContact CG1-CD1 4.31Å; K1010-L1014 WeakPolarHBondContact O-CG 3.38Å; K1010-L1014 PolarHBondContact O-N 3.07Å; I1011-L1014 PolarHBondContact O-N 3.29Å; L1014-S1016 VanDerWaalsContact C-N 3.3Å; L1014-S1016 PolarHBondContact O-N 2.84Å; L1014-D1017 WeakPolarHBondContact O-CB 3.34Å; L1014-D1017 PolarHBondContact O-N 3.34Å; L1014-Y1018 WeakPolarHBondContact O-CD2 3.5Å
1015	L	96.1	Very high	94.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66.1	-35	177.9	-173.1	59.2	0	0	0	112.3	L985 K988 V989 I1011 S1012 N1013 D1017 Y1018 Y1020 H1021	L985-L1015 HydrophobicContact CD1-CD2 3.51Å; L985-L1015 HydrophobicContact CG-CD2 4.48Å; K988-L1015 HydrophobicContact CD-CD1 3.77Å; K988-L1015 HydrophobicContact CD-CD2 4.24Å; K988-L1015 HydrophobicContact CG-CD1 3.89Å; V989-L1015 HydrophobicContact CG2-CB 3.73Å; V989-L1015 HydrophobicContact CG2-CD1 4.01Å; V989-L1015 HydrophobicContact CG2-CG 4.37Å; I1011-L1015 WeakPolarHBondContact O-CB 3.29Å; I1011-L1015 PolarHBondContact O-N 3.49Å; S1012-L1015 PolarHBondContact O-N 3.43Å; N1013-L1015 VanDerWaalsContact C-N 3.28Å; N1013-L1015 PolarHBondContact O-N 3.34Å; L1015-D1017 VanDerWaalsContact C-N 3.3Å; L1015-Y1018 PolarHBondContact O-N 3.41Å; L1015-Y1020 HydrophobicContact CD1-CD2 4.17Å; L1015-Y1020 HydrophobicContact CD1-CG 4.11Å; L1015-Y1020 PolarHBondContact O-N 3.24Å; L1015-H1021 WeakPolarHBondContact CD2-O 3.25Å
1016	S	96.8	Very high	95.3	Very high	63 Å²	63	60.7 Å²	60.7	44%	0.441	32%	0.319	S	S	.	.	H	α-helix	trans	-64.7	-35.3	175.8	-167	0	0	0	0	112	S1012 N1013 L1014 Y1018 G1019	S1012-S1016 PolarHBondContact O-N 3.48Å; S1012-S1016 VanDerWaalsContact O-N 3.08Å; N1013-S1016 VanDerWaalsContact O-CB 3.27Å; N1013-S1016 WeakPolarHBondContact O-CB 3.46Å; N1013-S1016 PolarHBondContact O-N 3.37Å; L1014-S1016 VanDerWaalsContact C-N 3.3Å; L1014-S1016 PolarHBondContact O-N 2.84Å; S1016-Y1018 PolarHBondContact O-N 3.11Å; S1016-G1019 PolarHBondContact O-N 3.49Å
1017	D	96.8	Very high	95.8	Very high	126 Å²	126	61.9 Å²	61.9	67%	0.674	33%	0.326	S	S	*	.	H	α-helix	trans	-62.5	-28.1	178.7	-60.2	-27	0	0	0	112.1	N1013 L1014 L1015 G1019	N1013-D1017 PolarHBondContact O-N 3.14Å; N1013-D1017 VanDerWaalsContact O-N 3.15Å; L1014-D1017 WeakPolarHBondContact O-CB 3.34Å; L1014-D1017 PolarHBondContact O-N 3.34Å; L1015-D1017 VanDerWaalsContact C-N 3.3Å; D1017-G1019 VanDerWaalsContact C-N 3.3Å; D1017-G1019 PolarHBondContact O-N 3.43Å
1018	Y	96.1	Very high	96.1	Very high	101 Å²	101	58.5 Å²	58.5	40%	0.396	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	9.4	174.8	-68.8	-77.7	0	0	0	114	N992 K993 L1014 L1015 S1016 Y1020	N992-Y1018 HydrophobicContact CB-CD1 4.12Å; N992-Y1018 HydrophobicContact CB-CD2 4.32Å; N992-Y1018 HydrophobicContact CB-CE1 4.45Å; N992-Y1018 HydrophobicContact CB-CG 4.08Å; K993-Y1018 WeakPolarHBondContact CA-OH 3.5Å; K993-Y1018 HydrophobicContact CB-CE2 4.2Å; K993-Y1018 WeakPolarHBondContact CB-OH 3.32Å; K993-Y1018 WeakPolarHBondContact CG-OH 3.47Å; L1014-Y1018 WeakPolarHBondContact O-CD2 3.5Å; L1015-Y1018 PolarHBondContact O-N 3.41Å; S1016-Y1018 PolarHBondContact O-N 3.11Å; Y1018-Y1020 VanDerWaalsContact C-N 3.3Å; Y1018-Y1020 WeakPolarHBondContact O-CD2 3.5Å; Y1018-Y1020 PolarHBondContact O-N 3.35Å
1019	G	94.8	Very high	96.3	Very high	73 Å²	73	57.6 Å²	57.6	75%	0.753	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	12.4	176.9	0	0	0	0	0	115.1	S1016 D1017	S1016-G1019 PolarHBondContact O-N 3.49Å; D1017-G1019 VanDerWaalsContact C-N 3.3Å; D1017-G1019 PolarHBondContact O-N 3.43Å
1020	Y	96.3	Very high	96.4	Very high	64 Å²	64	55.5 Å²	55.5	25%	0.251	29%	0.29	S	S	.	.	S	Bend	trans	-91.3	163	172.5	-72	-86.2	0	0	0	111.2	K988 N992 L1015 Y1018 L1022 E1026	K988-Y1020 HydrophobicContact CD-CD1 4.47Å; N992-Y1020 WeakPolarHBondContact ND2-CE2 3.43Å; L1015-Y1020 HydrophobicContact CD1-CD2 4.17Å; L1015-Y1020 HydrophobicContact CD1-CG 4.11Å; L1015-Y1020 PolarHBondContact O-N 3.24Å; Y1018-Y1020 VanDerWaalsContact C-N 3.3Å; Y1018-Y1020 WeakPolarHBondContact O-CD2 3.5Å; Y1018-Y1020 PolarHBondContact O-N 3.35Å; Y1020-L1022 PolarHBondContact O-N 3.09Å; Y1020-E1026 WeakPolarHBondContact CD1-OE1 3.19Å; Y1020-E1026 WeakPolarHBondContact CE1-OE1 2.99Å
1021	H	96.6	Very high	96.5	Very high	95 Å²	95	51.6 Å²	51.6	44%	0.44	28%	0.278	S	S	.	.			trans	-65.8	125.4	171.5	-172.7	-86.7	0	0	0	110.3	L1015 R1023 G1024 N1025	L1015-H1021 WeakPolarHBondContact CD2-O 3.25Å; H1021-R1023 PolarHBondContact ND1-N 3.1Å; H1021-R1023 PolarHBondContact O-N 3.34Å; H1021-G1024 PolarHBondContact O-N 3.12Å; H1021-N1025 WeakPolarHBondContact CB-O 3.34Å
1022	L	95.8	Very high	96.5	Very high	59 Å²	59	56.4 Å²	56.4	31%	0.309	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-24	-173.7	69.5	146.1	0	0	0	115.6	S1012 Y1020	S1012-L1022 VanDerWaalsContact CA-O 3.31Å; S1012-L1022 WeakPolarHBondContact CA-O 3.47Å; S1012-L1022 WeakPolarHBondContact CB-O 3.2Å; S1012-L1022 WeakPolarHBondContact O-CB 3.29Å; S1012-L1022 PolarHBondContact OG-O 3.48Å; Y1020-L1022 PolarHBondContact O-N 3.09Å
1023	R	95.1	Very high	96.6	Very high	107 Å²	107	61.1 Å²	61.1	40%	0.404	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	7.8	178.1	-55.7	-53.5	-174.9	-148.6	0.7	114.8	S1012 H1021 N1025 F1042	S1012-R1023 PolarHBondContact OG-NH1 3.14Å; H1021-R1023 PolarHBondContact ND1-N 3.1Å; H1021-R1023 PolarHBondContact O-N 3.34Å; R1023-N1025 VanDerWaalsContact C-N 3.28Å; R1023-N1025 PolarHBondContact O-N 3.03Å; R1023-F1042 WeakPolarHBondContact O-CD2 3.5Å; R1023-F1042 VanDerWaalsContact O-CE2 3.28Å; R1023-F1042 WeakPolarHBondContact O-CE2 3.47Å
1024	G	94.9	Very high	96.4	Very high	3 Å²	3	59.1 Å²	59.1	3%	0.031	33%	0.327	C	S	.	.	S	Bend	trans	79.7	-2.3	177.8	0	0	0	0	0	116.2	K988 H1021	K988-G1024 PolarHBondContact NZ-O 2.85Å; H1021-G1024 PolarHBondContact O-N 3.12Å
1025	N	97.6	Very high	96.5	Very high	55 Å²	55	64.8 Å²	64.8	29%	0.294	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	138.2	175.9	-67.5	-29	0	0	0	112	H1021 R1023 Q1040 I1041 F1042	H1021-N1025 WeakPolarHBondContact CB-O 3.34Å; R1023-N1025 VanDerWaalsContact C-N 3.28Å; R1023-N1025 PolarHBondContact O-N 3.03Å; N1025-Q1040 HydrophobicContact CB-CB 4.01Å; N1025-I1041 WeakPolarHBondContact CA-O 3.48Å; N1025-F1042 WeakPolarHBondContact OD1-CA 3.4Å; N1025-F1042 WeakPolarHBondContact OD1-CB 3.47Å
1026	E	97.6	Very high	96.6	Very high	26 Å²	26	70.9 Å²	70.9	12%	0.121	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158.7	177.4	-72	174.5	-164.1	0	0	111.7	T957 K988 Y1020 L1028 Q1040 I1041 I1043	T957-E1026 WeakPolarHBondContact CG2-OE2 3.36Å; K988-E1026 IonicContact NZ-OE1 2.66Å; K988-E1026 PolarHBondContact NZ-OE1 3.33Å; Y1020-E1026 WeakPolarHBondContact CD1-OE1 3.19Å; Y1020-E1026 WeakPolarHBondContact CE1-OE1 2.99Å; E1026-L1028 HydrophobicContact CB-CD1 3.9Å; E1026-L1028 PolarHBondContact O-N 3.4Å; E1026-Q1040 CarbonylContact O-C 3.6Å; E1026-Q1040 WeakPolarHBondContact O-CA 3.35Å; E1026-Q1040 WeakPolarHBondContact O-CB 3.42Å; E1026-I1041 PolarHBondContact N-O 3.03Å; E1026-I1041 PolarHBondContact O-N 2.82Å; E1026-I1043 HydrophobicContact CB-CG2 3.91Å; E1026-I1043 HydrophobicContact CG-CG2 4.05Å; E1026-I1043 WeakPolarHBondContact OE2-CG2 3.32Å
1027	V	98	Very high	96.6	Very high	59 Å²	59	70.4 Å²	70.4	36%	0.358	36%	0.363	S	S	.	.			trans	-83.9	114.1	173.7	-179.7	0	0	0	0	108.3	K1036 Q1040	V1027-K1036 HydrophobicContact CG1-CD 4.33Å; V1027-K1036 HydrophobicContact CG1-CG 4.36Å; V1027-Q1040 HydrophobicContact CG2-CG 4.24Å
1028	L	98	Very high	96.6	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	37%	0.368	C	S	.	.			trans	-104.3	151.3	174.4	-81.7	65.8	0	0	0	110.8	P955 F956 T957 E1026 I1037 I1041 I1043	P955-L1028 HydrophobicContact CB-CB 4.47Å; P955-L1028 HydrophobicContact CB-CD2 4.12Å; P955-L1028 HydrophobicContact CG-CD2 4.31Å; F956-L1028 CarbonylContact O-C 3.5Å; F956-L1028 WeakPolarHBondContact O-CA 3.45Å; T957-L1028 HydrophobicContact CG2-CD1 4.02Å; T957-L1028 HydrophobicContact CG2-CG 4.18Å; E1026-L1028 HydrophobicContact CB-CD1 3.9Å; E1026-L1028 PolarHBondContact O-N 3.4Å; L1028-I1037 HydrophobicContact CB-CD1 4.18Å; L1028-I1037 PolarHBondContact O-N 3.06Å; L1028-I1041 HydrophobicContact CB-CG1 4.17Å; L1028-I1041 HydrophobicContact CD1-CB 3.93Å; L1028-I1041 HydrophobicContact CD1-CG1 4.38Å; L1028-I1041 HydrophobicContact CD2-CB 4.06Å; L1028-I1041 HydrophobicContact CD2-CG1 4.18Å; L1028-I1041 HydrophobicContact CD2-CG2 4.21Å; L1028-I1041 HydrophobicContact CG-CB 4.42Å; L1028-I1041 HydrophobicContact CG-CG1 4.47Å; L1028-I1043 HydrophobicContact CD1-CG2 4.37Å; L1028-I1043 HydrophobicContact CD2-CD1 4.43Å
1029	Y	97.9	Very high	96.7	Very high	45 Å²	45	69.3 Å²	69.3	18%	0.176	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-104.9	145.8	175.6	-58.3	-101.2	0	0	0	109.3	P955 F956 G1031 G1034 K1036	P955-Y1029 WeakPolarHBondContact CA-O 3.48Å; P955-Y1029 WeakPolarHBondContact CB-O 3.34Å; F956-Y1029 HydrophobicContact CD2-CD2 4.29Å; F956-Y1029 HydrophobicContact CE2-CD2 4.06Å; F956-Y1029 HydrophobicContact CE2-CG 4.05Å; F956-Y1029 HydrophobicContact CZ-CG 4.26Å; F956-Y1029 PolarHBondContact N-O 2.75Å; F956-Y1029 WeakPolarHBondContact O-CD2 3.5Å; F956-Y1029 PolarHBondContact O-N 3.27Å; Y1029-G1031 PolarHBondContact O-N 2.96Å; Y1029-G1034 WeakPolarHBondContact CD1-O 2.93Å; Y1029-K1036 HydrophobicContact CD1-CB 4.38Å; Y1029-K1036 HydrophobicContact CD1-CG 3.5Å; Y1029-K1036 HydrophobicContact CE1-CB 4.43Å; Y1029-K1036 HydrophobicContact CE1-CD 3.89Å; Y1029-K1036 HydrophobicContact CE1-CG 3.17Å; Y1029-K1036 HydrophobicContact CG-CG 4.47Å; Y1029-K1036 WeakPolarHBondContact OH-CE 3.4Å
1030	N	97.7	Very high	96.8	Very high	40 Å²	40	71.6 Å²	71.6	21%	0.214	37%	0.365	C	S	.	.			trans	-72.9	124	175.8	-173.5	-3.8	0	0	0	110.3	Y785 F1032 T1033 G1034 R1035	Y785-N1030 PolarHBondContact OH-OD1 3.11Å; Y785-N1030 VanDerWaalsContact OH-OD1 3.06Å; N1030-F1032 PolarHBondContact O-N 2.86Å; N1030-F1032 WeakPolarHBondContact OD1-CD2 3.3Å; N1030-F1032 PolarHBondContact OD1-N 3.11Å; N1030-T1033 PolarHBondContact O-N 3.09Å; N1030-G1034 WeakPolarHBondContact O-CA 3.47Å; N1030-G1034 PolarHBondContact O-N 3.29Å; N1030-R1035 PolarHBondContact N-O 3.03Å
1031	G	96	Very high	96.9	Very high	19 Å²	19	69.3 Å²	69.3	20%	0.196	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-32.7	178.3	0	0	0	0	0	113.9	E952 M954 Y1029	E952-G1031 CarbonylContact O-C 3.49Å; E952-G1031 WeakPolarHBondContact O-CA 3.32Å; M954-G1031 WeakPolarHBondContact O-CA 3.3Å; Y1029-G1031 PolarHBondContact O-N 2.96Å
1032	F	96.4	Very high	96.9	Very high	104 Å²	104	66.4 Å²	66.4	46%	0.456	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-34.2	-177.6	-58.1	-61.3	0	0	0	114.8	Y785 Y949 D953 N1030	Y785-F1032 HydrophobicContact CE1-CE2 4.13Å; Y785-F1032 AromaticContact CZ-CE2 3.71Å; Y785-F1032 VanDerWaalsContact OH-CD2 3.23Å; Y785-F1032 WeakPolarHBondContact OH-CD2 3.21Å; Y785-F1032 WeakPolarHBondContact OH-CE2 3.38Å; Y949-F1032 HydrophobicContact CE1-CZ 4.34Å; D953-F1032 HydrophobicContact CB-CE1 3.7Å; D953-F1032 HydrophobicContact CB-CZ 4.07Å; D953-F1032 WeakPolarHBondContact OD1-CE1 3.5Å; N1030-F1032 PolarHBondContact O-N 2.86Å; N1030-F1032 WeakPolarHBondContact OD1-CD2 3.3Å; N1030-F1032 PolarHBondContact OD1-N 3.11Å
1033	T	96.9	Very high	97.1	Very high	98 Å²	98	63.8 Å²	63.8	60%	0.601	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-12.6	-170.1	62.8	0	0	0	0	113.9	N1030 R1035	N1030-T1033 PolarHBondContact O-N 3.09Å; T1033-R1035 PolarHBondContact O-N 3.08Å; T1033-R1035 VanDerWaalsContact O-N 3.17Å; T1033-R1035 WeakPolarHBondContact OG1-CB 3.48Å; T1033-R1035 PolarHBondContact OG1-N 3.44Å
1034	G	94.1	Very high	97.2	Very high	41 Å²	41	58.8 Å²	58.8	42%	0.423	31%	0.311	S	S	.	.			trans	69.1	0.3	-170.5	0	0	0	0	0	114.2	Y1029 N1030	Y1029-G1034 WeakPolarHBondContact CD1-O 2.93Å; N1030-G1034 WeakPolarHBondContact O-CA 3.47Å; N1030-G1034 PolarHBondContact O-N 3.29Å
1035	R	97	Very high	97.3	Very high	183 Å²	183	59.7 Å²	59.7	69%	0.691	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-73.1	136.9	179.4	-169.8	-177.8	174.2	179.8	-0.3	110.2	N1030 T1033 I1037	N1030-R1035 PolarHBondContact N-O 3.03Å; T1033-R1035 PolarHBondContact O-N 3.08Å; T1033-R1035 VanDerWaalsContact O-N 3.17Å; T1033-R1035 WeakPolarHBondContact OG1-CB 3.48Å; T1033-R1035 PolarHBondContact OG1-N 3.44Å; R1035-I1037 PolarHBondContact O-N 3.36Å
1036	K	97.8	Very high	97.3	Very high	128 Å²	128	57.1 Å²	57.1	56%	0.557	30%	0.303	S	S	*	.	B	Isolated β-bridge	trans	-55	130.9	168.1	-67.4	-178.4	-174.2	-165.5	0	110.2	V1027 Y1029	V1027-K1036 HydrophobicContact CG1-CD 4.33Å; V1027-K1036 HydrophobicContact CG1-CG 4.36Å; Y1029-K1036 HydrophobicContact CD1-CB 4.38Å; Y1029-K1036 HydrophobicContact CD1-CG 3.5Å; Y1029-K1036 HydrophobicContact CE1-CB 4.43Å; Y1029-K1036 HydrophobicContact CE1-CD 3.89Å; Y1029-K1036 HydrophobicContact CE1-CG 3.17Å; Y1029-K1036 HydrophobicContact CG-CG 4.47Å; Y1029-K1036 WeakPolarHBondContact OH-CE 3.4Å
1037	I	97.4	Very high	97.4	Very high	53 Å²	53	55.9 Å²	55.9	27%	0.272	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-68.2	137.3	171.7	-60.2	174.6	0	0	0	107.9	P955 L1028 R1035 S1039 I1041	P955-I1037 HydrophobicContact CB-CD1 4.35Å; L1028-I1037 HydrophobicContact CB-CD1 4.18Å; L1028-I1037 PolarHBondContact O-N 3.06Å; R1035-I1037 PolarHBondContact O-N 3.36Å; I1037-S1039 VanDerWaalsContact C-N 3.29Å; I1037-S1039 WeakPolarHBondContact CG2-O 3.43Å; I1037-S1039 PolarHBondContact O-N 2.92Å; I1037-I1041 HydrophobicContact CD1-CG1 4.5Å; I1037-I1041 HydrophobicContact CG2-CD1 4.46Å
1038	T	97.4	Very high	97.4	Very high	128 Å²	128	53.4 Å²	53.4	79%	0.785	28%	0.282	S	S	*	.	S	Bend	trans	-60.8	-39.8	-176.8	-50.5	0	0	0	0	112.1
1039	S	97.1	Very high	97.3	Very high	76 Å²	76	53.4 Å²	53.4	53%	0.531	28%	0.282	S	S	.	.	S	Bend	trans	-91.7	143.2	175.7	-55.8	0	0	0	0	110.9	I1037	I1037-S1039 VanDerWaalsContact C-N 3.29Å; I1037-S1039 WeakPolarHBondContact CG2-O 3.43Å; I1037-S1039 PolarHBondContact O-N 2.92Å
1040	Q	96.8	Very high	97.3	Very high	121 Å²	121	51.4 Å²	51.4	57%	0.565	27%	0.274	S	S	*	.			trans	-71.5	145.9	166.4	-57.9	83.1	-1.7	0	0	109.9	N1025 E1026 V1027	N1025-Q1040 HydrophobicContact CB-CB 4.01Å; E1026-Q1040 CarbonylContact O-C 3.6Å; E1026-Q1040 WeakPolarHBondContact O-CA 3.35Å; E1026-Q1040 WeakPolarHBondContact O-CB 3.42Å; V1027-Q1040 HydrophobicContact CG2-CG 4.24Å
1041	I	98.1	Very high	97.2	Very high	16 Å²	16	49.6 Å²	49.6	8%	0.082	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.1	-177.3	-54.1	-53.9	0	0	0	109.3	A781 A783 N1025 E1026 L1028 I1037 I1043	A781-I1041 HydrophobicContact CB-CG2 4Å; A783-I1041 HydrophobicContact CB-CD1 3.85Å; A783-I1041 HydrophobicContact CB-CG1 4.44Å; A783-I1041 HydrophobicContact CB-CG2 3.91Å; N1025-I1041 WeakPolarHBondContact CA-O 3.48Å; E1026-I1041 PolarHBondContact N-O 3.03Å; E1026-I1041 PolarHBondContact O-N 2.82Å; L1028-I1041 HydrophobicContact CB-CG1 4.17Å; L1028-I1041 HydrophobicContact CD1-CB 3.93Å; L1028-I1041 HydrophobicContact CD1-CG1 4.38Å; L1028-I1041 HydrophobicContact CD2-CB 4.06Å; L1028-I1041 HydrophobicContact CD2-CG1 4.18Å; L1028-I1041 HydrophobicContact CD2-CG2 4.21Å; L1028-I1041 HydrophobicContact CG-CB 4.42Å; L1028-I1041 HydrophobicContact CG-CG1 4.47Å; I1037-I1041 HydrophobicContact CD1-CG1 4.5Å; I1037-I1041 HydrophobicContact CG2-CD1 4.46Å; I1041-I1043 PolarHBondContact O-N 2.95Å
1042	F	98.4	Very high	97.1	Very high	33 Å²	33	51.7 Å²	51.7	15%	0.145	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	116.9	169.7	-173.5	-96.8	0	0	0	108.8	A781 I782 L981 C984 R1023 N1025	A781-F1042 WeakPolarHBondContact CA-O 3.42Å; I782-F1042 HydrophobicContact CB-CB 4.48Å; I782-F1042 HydrophobicContact CD1-CD1 3.7Å; I782-F1042 HydrophobicContact CD1-CE1 4.19Å; I782-F1042 HydrophobicContact CG1-CD1 4.02Å; I782-F1042 PolarHBondContact N-O 3.14Å; L981-F1042 HydrophobicContact CB-CZ 4.43Å; L981-F1042 HydrophobicContact CD2-CD1 4.31Å; L981-F1042 HydrophobicContact CD2-CE1 3.97Å; C984-F1042 HydrophobicContact CB-CE1 3.63Å; C984-F1042 HydrophobicContact CB-CZ 4Å; C984-F1042 WeakPolarHBondContact SG-CE1 3.38Å; R1023-F1042 WeakPolarHBondContact O-CD2 3.5Å; R1023-F1042 VanDerWaalsContact O-CE2 3.28Å; R1023-F1042 WeakPolarHBondContact O-CE2 3.47Å; N1025-F1042 WeakPolarHBondContact OD1-CA 3.4Å; N1025-F1042 WeakPolarHBondContact OD1-CB 3.47Å
1043	I	98.1	Very high	96.6	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143	-175.3	-176	171.4	0	0	0	109.8	I779 V780 A781 T957 P963 K988 E1026 L1028 I1041	I779-I1043 HydrophobicContact CG2-CD1 3.9Å; I779-I1043 HydrophobicContact CG2-CG1 3.88Å; V780-I1043 CarbonylContact O-C 3.6Å; V780-I1043 VanDerWaalsContact O-CA 3.3Å; V780-I1043 WeakPolarHBondContact O-CA 3.09Å; A781-I1043 HydrophobicContact CB-CB 4.32Å; A781-I1043 HydrophobicContact CB-CD1 4.36Å; A781-I1043 HydrophobicContact CB-CG1 4.18Å; T957-I1043 HydrophobicContact CG2-CD1 4.18Å; P963-I1043 HydrophobicContact CB-CD1 4.41Å; K988-I1043 WeakPolarHBondContact CE-O 3.22Å; K988-I1043 PolarHBondContact NZ-O 3.44Å; E1026-I1043 HydrophobicContact CB-CG2 3.91Å; E1026-I1043 HydrophobicContact CG-CG2 4.05Å; E1026-I1043 WeakPolarHBondContact OE2-CG2 3.32Å; L1028-I1043 HydrophobicContact CD1-CG2 4.37Å; L1028-I1043 HydrophobicContact CD2-CD1 4.43Å; I1041-I1043 PolarHBondContact O-N 2.95Å
1044	G	97.3	Very high	96.4	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177	167.6	172	0	0	0	0	0	114.1	V780 C984 T1046	V780-G1044 PolarHBondContact N-O 2.83Å; V780-G1044 PolarHBondContact O-N 2.86Å; C984-G1044 VanDerWaalsContact SG-C 3.54Å; C984-G1044 WeakPolarHBondContact SG-CA 3.39Å; C984-G1044 PolarHBondContact SG-N 2.95Å; C984-G1044 VanDerWaalsContact SG-N 3.37Å; G1044-T1046 PolarHBondContact O-N 2.87Å
1045	P	98	Very high	96.3	Very high	22 Å²	22	45 Å²	45	14%	0.143	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	127.8	178.5	-16.6	31.4	0	0	0	111.7	L758 S778 A991	L758-P1045 HydrophobicContact CD1-CB 3.82Å; S778-P1045 CarbonylContact O-C 3.55Å; S778-P1045 WeakPolarHBondContact O-CA 3.4Å; A991-P1045 HydrophobicContact CB-CG 4.33Å
1046	T	98	Very high	96	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	145.4	176.2	-55.9	0	0	0	0	111.1	S778 E983 G1044 Y1048	S778-T1046 PolarHBondContact N-O 3.11Å; S778-T1046 PolarHBondContact O-N 2.83Å; E983-T1046 HydrophobicContact CG-CG2 4.3Å; E983-T1046 WeakPolarHBondContact OE2-CG2 3.41Å; G1044-T1046 PolarHBondContact O-N 2.87Å; T1046-Y1048 HydrophobicContact CG2-CD2 4.13Å; T1046-Y1048 HydrophobicContact CG2-CE2 3.97Å; T1046-Y1048 PolarHBondContact O-N 2.89Å
1047	Y	98.1	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	110.8	-178.4	-173.5	-98.7	0	0	0	112.6	Q755 P757 F769 P773 A774 G775 R938 E983 Q1049	Q755-Y1047 VanDerWaalsContact O-CE2 3.25Å; Q755-Y1047 WeakPolarHBondContact O-CE2 3.43Å; Q755-Y1047 PolarHBondContact O-OH 3.48Å; P757-Y1047 HydrophobicContact CB-CD1 4.48Å; P757-Y1047 HydrophobicContact CB-CD2 3.99Å; P757-Y1047 HydrophobicContact CB-CE2 4.33Å; P757-Y1047 HydrophobicContact CB-CG 4.03Å; F769-Y1047 HydrophobicContact CE1-CE1 4.27Å; F769-Y1047 HydrophobicContact CZ-CE1 4.32Å; P773-Y1047 WeakPolarHBondContact CB-OH 3.5Å; A774-Y1047 PolarHBondContact N-OH 2.95Å; A774-Y1047 VanDerWaalsContact N-OH 3.12Å; G775-Y1047 VanDerWaalsContact C-CZ 3.44Å; G775-Y1047 VanDerWaalsContact CA-OH 3.23Å; G775-Y1047 WeakPolarHBondContact CA-OH 3.5Å; G775-Y1047 PolarHBondContact N-OH 2.77Å; G775-Y1047 WeakPolarHBondContact O-CE2 3.36Å; R938-Y1047 HydrophobicContact CG-CD1 4.05Å; E983-Y1047 PolarHBondContact OE1-N 2.85Å; Y1047-Q1049 HydrophobicContact CE1-CG 4.27Å
1048	Y	98.1	Very high	95	Very high	6 Å²	6	38.6 Å²	38.6	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	154	178.5	-92.7	-120.7	0	0	0	112.3	G775 I776 V780 F806 F935 I965 I967 H980 T1046	G775-Y1048 CarbonylContact C-O 3.58Å; G775-Y1048 WeakPolarHBondContact CA-O 2.89Å; I776-Y1048 PolarHBondContact N-O 3.06Å; I776-Y1048 PolarHBondContact O-N 2.99Å; V780-Y1048 HydrophobicContact CG2-CD2 3.97Å; V780-Y1048 HydrophobicContact CG2-CE2 3.57Å; F806-Y1048 WeakPolarHBondContact CE1-O 3.4Å; F806-Y1048 VanDerWaalsContact CZ-O 3.27Å; F806-Y1048 WeakPolarHBondContact CZ-O 3.45Å; F935-Y1048 HydrophobicContact CB-CD1 4.36Å; I965-Y1048 HydrophobicContact CD1-CD1 3.79Å; I965-Y1048 HydrophobicContact CD1-CE1 4.25Å; I965-Y1048 HydrophobicContact CD1-CG 4.11Å; I965-Y1048 HydrophobicContact CG2-CE1 4.29Å; I967-Y1048 WeakPolarHBondContact CG2-OH 3.35Å; H980-Y1048 AromaticContact CE1-CE2 3.97Å; T1046-Y1048 HydrophobicContact CG2-CD2 4.13Å; T1046-Y1048 HydrophobicContact CG2-CE2 3.97Å; T1046-Y1048 PolarHBondContact O-N 2.89Å
1049	Q	97.6	Very high	94.6	Very high	1 Å²	1	38 Å²	38	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.3	179.4	-60	179.2	-22.9	0	0	110	A732 F935 A936 Y1047	A732-Q1049 HydrophobicContact CB-CB 4.12Å; A732-Q1049 HydrophobicContact CB-CG 4.38Å; F935-Q1049 CarbonylContact C-O 3.35Å; F935-Q1049 VanDerWaalsContact CA-O 3.3Å; F935-Q1049 WeakPolarHBondContact CA-O 3.25Å; A936-Q1049 PolarHBondContact N-O 2.59Å; A936-Q1049 PolarHBondContact O-N 3.34Å; Y1047-Q1049 HydrophobicContact CE1-CG 4.27Å
1050	R	97.6	Very high	94.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.4	167.2	-173.6	176.9	-170.4	-174.6	-1.2	109	A732 M733 F806 S808 R927 I928 D933 F935	A732-R1050 CarbonylContact C-O 3.39Å; A732-R1050 WeakPolarHBondContact CA-O 3.47Å; M733-R1050 WeakPolarHBondContact CG-O 3.31Å; M733-R1050 PolarHBondContact N-O 3.21Å; M733-R1050 HydrophobicContact SD-CB 4.3Å; M733-R1050 HydrophobicContact SD-CG 3.79Å; F806-R1050 HydrophobicContact CD1-CB 3.68Å; F806-R1050 HydrophobicContact CE1-CB 4.2Å; F806-R1050 HydrophobicContact CG-CB 4.31Å; F806-R1050 WeakPolarHBondContact O-CD 3.49Å; F806-R1050 PolarHBondContact O-NH1 3.06Å; S808-R1050 PolarHBondContact OG-NH1 3.1Å; R927-R1050 PolarHBondContact O-NH1 3.04Å; I928-R1050 PolarHBondContact O-NH2 2.9Å; D933-R1050 IonicContact OD2-CZ 3.34Å; D933-R1050 IonicContact OD2-NE 3.67Å; D933-R1050 IonicContact OD2-NH2 3.26Å; D933-R1050 PolarHBondContact OD2-NH2 3.29Å; F935-R1050 HydrophobicContact CD1-CB 4.11Å; F935-R1050 HydrophobicContact CD1-CG 4.24Å; F935-R1050 HydrophobicContact CE1-CB 3.9Å; F935-R1050 HydrophobicContact CE1-CG 3.71Å; F935-R1050 HydrophobicContact CZ-CG 4.29Å
1051	L	95.8	Very high	94	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-93.1	152.8	-179.4	-56.4	-176.8	0	0	0	111.4	M728 Q731 K934 A936 K942 H1053	M728-L1051 HydrophobicContact SD-CD1 4.33Å; Q731-L1051 HydrophobicContact CB-CD2 4.37Å; Q731-L1051 WeakPolarHBondContact O-CA 3.32Å; K934-L1051 HydrophobicContact CB-CB 4.11Å; K934-L1051 HydrophobicContact CB-CD1 4.17Å; K934-L1051 WeakPolarHBondContact O-CB 3.46Å; K934-L1051 PolarHBondContact O-N 3.49Å; A936-L1051 HydrophobicContact CB-CD1 4.1Å; A936-L1051 HydrophobicContact CB-CD2 4.34Å; A936-L1051 HydrophobicContact CB-CG 4.36Å; K942-L1051 HydrophobicContact CG-CD1 4.33Å; L1051-H1053 PolarHBondContact O-N 3.32Å; L1051-H1053 VanDerWaalsContact O-N 3.13Å
1052	K	92.9	Very high	93.5	Very high	64 Å²	64	39.7 Å²	39.7	28%	0.278	20%	0.201	S	C	.	.	S	Bend	trans	-63.6	-18.2	-176.2	68.9	169.9	173.5	-174.1	0	117.1	L473 Q731 M733 M1054	L473-K1052 HydrophobicContact CD1-CB 4.24Å; L473-K1052 HydrophobicContact CD1-CD 4.17Å; L473-K1052 HydrophobicContact CD2-CB 4.13Å; L473-K1052 HydrophobicContact CD2-CD 3.77Å; L473-K1052 HydrophobicContact CD2-CG 4.2Å; Q731-K1052 HydrophobicContact CB-CG 4.42Å; Q731-K1052 PolarHBondContact O-N 3.3Å; M733-K1052 VanDerWaalsContact CE-CA 3.49Å; M733-K1052 HydrophobicContact CE-CB 4.22Å; K1052-M1054 PolarHBondContact O-N 3.37Å
1053	H	87	Confident	93.1	Very high	53 Å²	53	43 Å²	43	25%	0.245	24%	0.235	C	C	.	.			trans	-88	90.4	-172	-68.2	-52.8	0	0	0	110.9	K934 L1051	K934-H1053 HydrophobicContact CD-CB 4.19Å; L1051-H1053 PolarHBondContact O-N 3.32Å; L1051-H1053 VanDerWaalsContact O-N 3.13Å
1054	M	91.7	Very high	92.5	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.01	28%	0.276	C	S	.	.			trans	-83.9	154.2	175.1	-57.8	179.2	-162.3	0	0	112	M733 R927 D933 K1052 D1057 K1058	M733-M1054 HydrophobicContact CE-CE 3.13Å; M733-M1054 HydrophobicContact SD-CE 4.16Å; R927-M1054 HydrophobicContact CB-CE 3.72Å; R927-M1054 HydrophobicContact CB-SD 3.71Å; R927-M1054 HydrophobicContact CG-CE 3.83Å; R927-M1054 HydrophobicContact CG-SD 3.65Å; D933-M1054 WeakPolarHBondContact OD1-CA 3.1Å; K1052-M1054 PolarHBondContact O-N 3.37Å; M1054-D1057 PolarHBondContact O-N 3.3Å; M1054-K1058 WeakPolarHBondContact O-CG 3.4Å
1055	V	92.5	Very high	92	Very high	48 Å²	48	55.2 Å²	55.2	29%	0.291	29%	0.29	S	S	.	.	S	Bend	trans	-65.7	-41.7	177.4	61.1	0	0	0	0	112.3	Q930 I931 D933 D1057 K1058 I1059	Q930-V1055 VanDerWaalsContact CD-CG1 3.45Å; Q930-V1055 HydrophobicContact CG-CG1 3.76Å; I931-V1055 WeakPolarHBondContact O-CG1 3.29Å; D933-V1055 PolarHBondContact OD1-N 2.93Å; V1055-D1057 PolarHBondContact O-N 3.39Å; V1055-D1057 VanDerWaalsContact O-N 3.09Å; V1055-K1058 PolarHBondContact O-N 3.2Å; V1055-I1059 PolarHBondContact O-N 3.46Å
1056	D	89.4	Confident	91.5	Very high	62 Å²	62	57.2 Å²	57.2	33%	0.332	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.9	177.2	-72.5	-10.5	0	0	0	112.7	R927 Q930 K1058 R1078	R927-D1056 IonicContact NH1-OD2 3.21Å; R927-D1056 PolarHBondContact NH1-OD2 3.14Å; Q930-D1056 PolarHBondContact NE2-OD1 3.09Å; Q930-D1056 PolarHBondContact NE2-OD2 3.15Å; D1056-K1058 VanDerWaalsContact C-N 3.29Å; D1056-R1078 VanDerWaalsContact O-CZ 3.24Å; D1056-R1078 PolarHBondContact O-NH1 3.41Å; D1056-R1078 PolarHBondContact O-NH2 3.04Å
1057	D	85.9	Confident	91.3	Very high	42 Å²	42	61.2 Å²	61.2	23%	0.225	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-5.6	-178.3	-67.5	-17.9	0	0	0	112.4	R927 M1054 V1055 R1078	R927-D1057 IonicContact CZ-OD1 3.94Å; R927-D1057 IonicContact NH1-OD1 2.83Å; R927-D1057 IonicContact NH2-OD1 2.99Å; R927-D1057 PolarHBondContact NH2-OD1 3.41Å; M1054-D1057 PolarHBondContact O-N 3.3Å; V1055-D1057 PolarHBondContact O-N 3.39Å; V1055-D1057 VanDerWaalsContact O-N 3.09Å; D1057-R1078 PolarHBondContact O-NH1 2.8Å
1058	K	89	Confident	91	Very high	124 Å²	124	64.2 Å²	64.2	54%	0.539	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-34.5	-174.5	-65.8	-64.3	-174.8	179.1	0	113.7	M1054 V1055 D1056 H1060	M1054-K1058 WeakPolarHBondContact O-CG 3.4Å; V1055-K1058 PolarHBondContact O-N 3.2Å; D1056-K1058 VanDerWaalsContact C-N 3.29Å; K1058-H1060 PolarHBondContact O-N 3.16Å; K1058-H1060 PolarHBondContact O-ND1 3.23Å
1059	I	90.2	Very high	90.8	Very high	115 Å²	115	71.8 Å²	71.8	59%	0.59	38%	0.376	S	S	*	.			trans	-60.8	129.8	179.4	-168.3	169.3	0	0	0	110.5	V1055 R1078	V1055-I1059 PolarHBondContact O-N 3.46Å; I1059-R1078 PolarHBondContact O-NE 3.14Å; I1059-R1078 PolarHBondContact O-NH2 2.92Å
1060	H	89.4	Confident	90.6	Very high	82 Å²	82	77.9 Å²	77.9	38%	0.38	41%	0.408	S	S	.	.			trans	-153.3	149.3	172.1	71	-68	0	0	0	109.2	K1058 R1078 L1084	K1058-H1060 PolarHBondContact O-N 3.16Å; K1058-H1060 PolarHBondContact O-ND1 3.23Å; H1060-R1078 HydrophobicContact CB-CB 4.34Å; H1060-R1078 HydrophobicContact CB-CG 3.89Å; H1060-L1084 WeakPolarHBondContact NE2-CD2 3.32Å
1061	S	90	Very high	90.4	Very high	99 Å²	99	79.1 Å²	79.1	69%	0.692	42%	0.415	S	S	*	.			trans	-142.6	157.6	177.6	59.1	0	0	0	0	108.4
1062	R	88.1	Confident	90.3	Very high	68 Å²	68	84.1 Å²	84.1	26%	0.257	43%	0.433	S	S	.	.			trans	-146.8	130	177	-178.1	-178.1	169.3	122.2	-4.2	109.6	G1065 P1066 D1081 G1083	R1062-G1065 VanDerWaalsContact NH2-C 3.32Å; R1062-G1065 PolarHBondContact NH2-O 3.23Å; R1062-G1065 VanDerWaalsContact NH2-O 3.13Å; R1062-P1066 PolarHBondContact NH1-O 3.43Å; R1062-P1066 PolarHBondContact NH2-O 2.89Å; R1062-D1081 PolarHBondContact NH1-O 3.5Å; R1062-G1083 VanDerWaalsContact CD-CA 3.47Å
1063	A	89.4	Confident	90.3	Very high	104 Å²	104	84.4 Å²	84.4	86%	0.86	44%	0.436	S	S	*	.	S	Bend	trans	-104.3	-53.8	170.4	0	0	0	0	0	110.7
1064	R	85.8	Confident	90.6	Very high	232 Å²	232	83.6 Å²	83.6	88%	0.875	44%	0.436	S	S	*	.	S	Bend	trans	-144.4	154.5	167.1	-67.2	-175.6	179.1	179	0.2	107
1065	G	86.5	Confident	90.6	Very high	30 Å²	30	85.3 Å²	85.3	31%	0.309	44%	0.444	S	S	.	.			trans	-172.2	-172.3	-175.8	0	0	0	0	0	112.8	R1062	R1062-G1065 VanDerWaalsContact NH2-C 3.32Å; R1062-G1065 PolarHBondContact NH2-O 3.23Å; R1062-G1065 VanDerWaalsContact NH2-O 3.13Å
1066	P	88.8	Confident	90.4	Very high	64 Å²	64	89.7 Å²	89.7	42%	0.416	46%	0.461	S	S	.	.			trans	-60.9	148.9	-179.2	26.6	-34.5	0	0	0	111.4	R1062 M1075 R1080 D1081	R1062-P1066 PolarHBondContact NH1-O 3.43Å; R1062-P1066 PolarHBondContact NH2-O 2.89Å; P1066-M1075 HydrophobicContact CB-CG 4.04Å; P1066-M1075 HydrophobicContact CG-CG 4.22Å; P1066-M1075 PolarHBondContact O-N 2.67Å; P1066-R1080 VanDerWaalsContact CG-O 3.24Å; P1066-R1080 WeakPolarHBondContact CG-O 3.45Å; P1066-D1081 HydrophobicContact CG-CB 4.4Å
1067	I	92.7	Very high	90.2	Very high	86 Å²	86	88.7 Å²	88.7	44%	0.441	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-118.7	151.2	179.9	58.9	174.6	0	0	0	110.2	R1072 Q1073	I1067-R1072 HydrophobicContact CD1-CB 4.09Å; I1067-R1072 HydrophobicContact CD1-CG 4.29Å; I1067-Q1073 CarbonylContact C-O 3.55Å; I1067-Q1073 VanDerWaalsContact CA-O 3.24Å; I1067-Q1073 WeakPolarHBondContact CA-O 3.33Å; I1067-Q1073 WeakPolarHBondContact CB-O 3.38Å
1068	Q	92.6	Very high	90	Very high	62 Å²	62	90.2 Å²	90.2	29%	0.29	47%	0.468	S	S	.	.			trans	-65.8	137.9	168.9	-74.8	-176.6	1	0	0	109.8	L1070 N1071 R1072 Q1073 M1075	Q1068-L1070 PolarHBondContact O-N 2.85Å; Q1068-N1071 WeakPolarHBondContact CB-OD1 2.91Å; Q1068-N1071 PolarHBondContact OE1-ND2 3.03Å; Q1068-N1071 VanDerWaalsContact OE1-ND2 3.08Å; Q1068-N1071 PolarHBondContact OE1-OD1 3.41Å; Q1068-R1072 WeakPolarHBondContact O-CA 3.39Å; Q1068-R1072 PolarHBondContact O-N 3.27Å; Q1068-Q1073 PolarHBondContact N-O 3.14Å; Q1068-M1075 HydrophobicContact CB-SD 4.17Å; Q1068-M1075 HydrophobicContact CG-SD 3.39Å; Q1068-M1075 WeakPolarHBondContact CG-SD 3.43Å
1069	I	93.3	Very high	89.4	Confident	166 Å²	166	88.3 Å²	88.3	85%	0.851	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-39.2	-174.4	-61.6	171.7	0	0	0	111.3
1070	L	93.5	Very high	89	Confident	129 Å²	129	90.1 Å²	90.1	68%	0.675	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-57.5	-172.1	-178.8	65.3	0	0	0	112.8	Q1068 Y1153 L1157	Q1068-L1070 PolarHBondContact O-N 2.85Å; L1070-Y1153 WeakPolarHBondContact O-CE1 3.43Å; L1070-L1157 HydrophobicContact CG-CD2 4.4Å
1071	N	93.1	Very high	88.6	Confident	27 Å²	27	89.7 Å²	89.7	14%	0.144	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-3.3	-174.4	60.8	2.4	0	0	0	113.3	Q1068 Q1073 Y1153	Q1068-N1071 WeakPolarHBondContact CB-OD1 2.91Å; Q1068-N1071 PolarHBondContact OE1-ND2 3.03Å; Q1068-N1071 VanDerWaalsContact OE1-ND2 3.08Å; Q1068-N1071 PolarHBondContact OE1-OD1 3.41Å; N1071-Q1073 HydrophobicContact CB-CG 4.34Å; N1071-Q1073 PolarHBondContact ND2-OE1 3.16Å; N1071-Q1073 VanDerWaalsContact ND2-OE1 3.09Å; N1071-Q1073 PolarHBondContact O-N 3.34Å; N1071-Q1073 VanDerWaalsContact O-N 3.11Å; N1071-Q1073 PolarHBondContact OD1-N 3.39Å; N1071-Q1073 VanDerWaalsContact OD1-N 3.15Å; N1071-Y1153 VanDerWaalsContact O-CD1 3.25Å; N1071-Y1153 WeakPolarHBondContact O-CD1 3.39Å
1072	R	93.9	Very high	88.5	Confident	107 Å²	107	85.1 Å²	85.1	40%	0.404	44%	0.439	S	S	.	.			trans	57.9	17.6	-176.5	-59	-171	179.9	-167	-0.5	115.1	I1067 Q1068 Y1153	I1067-R1072 HydrophobicContact CD1-CB 4.09Å; I1067-R1072 HydrophobicContact CD1-CG 4.29Å; Q1068-R1072 WeakPolarHBondContact O-CA 3.39Å; Q1068-R1072 PolarHBondContact O-N 3.27Å; R1072-Y1153 HydrophobicContact CB-CD1 4Å; R1072-Y1153 HydrophobicContact CB-CE1 4.48Å; R1072-Y1153 HydrophobicContact CB-CG 4.15Å; R1072-Y1153 HydrophobicContact CG-CD1 3.91Å; R1072-Y1153 HydrophobicContact CG-CD2 4.44Å; R1072-Y1153 HydrophobicContact CG-CE1 3.91Å; R1072-Y1153 HydrophobicContact CG-CE2 4.44Å; R1072-Y1153 HydrophobicContact CG-CG 4.17Å
1073	Q	93.4	Very high	88.5	Confident	70 Å²	70	82.9 Å²	82.9	33%	0.327	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-81.1	159	175.1	-70	-175.2	-31.4	0	0	111.1	I1067 Q1068 N1071 M1075 D1112	I1067-Q1073 CarbonylContact C-O 3.55Å; I1067-Q1073 VanDerWaalsContact CA-O 3.24Å; I1067-Q1073 WeakPolarHBondContact CA-O 3.33Å; I1067-Q1073 WeakPolarHBondContact CB-O 3.38Å; Q1068-Q1073 PolarHBondContact N-O 3.14Å; N1071-Q1073 HydrophobicContact CB-CG 4.34Å; N1071-Q1073 PolarHBondContact ND2-OE1 3.16Å; N1071-Q1073 VanDerWaalsContact ND2-OE1 3.09Å; N1071-Q1073 PolarHBondContact O-N 3.34Å; N1071-Q1073 VanDerWaalsContact O-N 3.11Å; N1071-Q1073 PolarHBondContact OD1-N 3.39Å; N1071-Q1073 VanDerWaalsContact OD1-N 3.15Å; Q1073-M1075 PolarHBondContact O-N 2.88Å; Q1073-D1112 HydrophobicContact CG-CB 4.43Å
1074	P	94	Very high	88.7	Confident	37 Å²	37	84.7 Å²	84.7	24%	0.24	43%	0.431	C	S	.	.	B	Isolated β-bridge	trans	-47.6	138.2	170.6	-31.5	38.4	0	0	0	113.1
1075	M	90.9	Very high	89	Confident	37 Å²	37	84.6 Å²	84.6	18%	0.182	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-58.9	158.3	172	-72.1	-67	-70.6	0	0	111.5	P1066 Q1068 Q1073 G1082 G1083	P1066-M1075 HydrophobicContact CB-CG 4.04Å; P1066-M1075 HydrophobicContact CG-CG 4.22Å; P1066-M1075 PolarHBondContact O-N 2.67Å; Q1068-M1075 HydrophobicContact CB-SD 4.17Å; Q1068-M1075 HydrophobicContact CG-SD 3.39Å; Q1068-M1075 WeakPolarHBondContact CG-SD 3.43Å; Q1073-M1075 PolarHBondContact O-N 2.88Å; M1075-G1082 CarbonylContact O-C 3.56Å; M1075-G1082 WeakPolarHBondContact O-CA 3.43Å; M1075-G1083 PolarHBondContact O-N 2.9Å
1076	E	89.4	Confident	89.4	Confident	141 Å²	141	86.6 Å²	86.6	66%	0.659	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-95.1	151.2	171.9	63.1	175.9	-175	0	0	112.1
1077	G	84.6	Confident	89.7	Confident	41 Å²	41	84.3 Å²	84.3	42%	0.423	42%	0.419	S	S	.	.	S	Bend	trans	86.8	138.9	167.9	0	0	0	0	0	115.4	S1079 R1080 G1082	G1077-S1079 VanDerWaalsContact C-N 3.32Å; G1077-S1079 PolarHBondContact O-N 3.26Å; G1077-R1080 PolarHBondContact O-N 3.47Å; G1077-R1080 VanDerWaalsContact O-N 3.15Å; G1077-G1082 WeakPolarHBondContact O-CA 3.5Å; G1077-G1082 PolarHBondContact O-N 2.94Å
1078	R	81.5	Confident	89.9	Confident	73 Å²	73	86.3 Å²	86.3	28%	0.275	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-54.6	-41.2	-179.2	175.7	175.7	-174.7	-110.6	-10.9	114.1	S899 D1056 D1057 I1059 H1060 R1080 D1081	S899-R1078 PolarHBondContact OG-NH2 3.11Å; D1056-R1078 VanDerWaalsContact O-CZ 3.24Å; D1056-R1078 PolarHBondContact O-NH1 3.41Å; D1056-R1078 PolarHBondContact O-NH2 3.04Å; D1057-R1078 PolarHBondContact O-NH1 2.8Å; I1059-R1078 PolarHBondContact O-NE 3.14Å; I1059-R1078 PolarHBondContact O-NH2 2.92Å; H1060-R1078 HydrophobicContact CB-CB 4.34Å; H1060-R1078 HydrophobicContact CB-CG 3.89Å; R1078-R1080 PolarHBondContact O-N 3.08Å; R1078-R1080 VanDerWaalsContact O-N 3.11Å; R1078-D1081 PolarHBondContact O-N 3.37Å
1079	S	76.2	Confident	90.2	Very high	85 Å²	85	90.5 Å²	90.5	59%	0.594	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-68.8	-8.7	-176.5	57.9	0	0	0	0	114.2	G1077	G1077-S1079 VanDerWaalsContact C-N 3.32Å; G1077-S1079 PolarHBondContact O-N 3.26Å
1080	R	80.9	Confident	90.3	Very high	153 Å²	153	87 Å²	87	58%	0.577	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-121	20.5	179.8	-63.8	-178.9	175.7	177.1	-2.3	111.7	P1066 G1077 R1078 G1082	P1066-R1080 VanDerWaalsContact CG-O 3.24Å; P1066-R1080 WeakPolarHBondContact CG-O 3.45Å; G1077-R1080 PolarHBondContact O-N 3.47Å; G1077-R1080 VanDerWaalsContact O-N 3.15Å; R1078-R1080 PolarHBondContact O-N 3.08Å; R1078-R1080 VanDerWaalsContact O-N 3.11Å; R1080-G1082 PolarHBondContact O-N 3.2Å
1081	D	82.4	Confident	90.5	Very high	73 Å²	73	84.4 Å²	84.4	39%	0.39	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	41.6	-174.2	-169.4	42.8	0	0	0	112	R1062 P1066 R1078	R1062-D1081 PolarHBondContact NH1-O 3.5Å; P1066-D1081 HydrophobicContact CG-CB 4.4Å; R1078-D1081 PolarHBondContact O-N 3.37Å
1082	G	86.9	Confident	90.7	Very high	2 Å²	2	86.5 Å²	86.5	2%	0.021	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-69.9	156.8	-175.7	0	0	0	0	0	113.6	M1075 G1077 R1080	M1075-G1082 CarbonylContact O-C 3.56Å; M1075-G1082 WeakPolarHBondContact O-CA 3.43Å; G1077-G1082 WeakPolarHBondContact O-CA 3.5Å; G1077-G1082 PolarHBondContact O-N 2.94Å; R1080-G1082 PolarHBondContact O-N 3.2Å
1083	G	88.9	Confident	90.9	Very high	22 Å²	22	84.8 Å²	84.8	23%	0.227	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-78.7	167.3	175.8	0	0	0	0	0	114	R1062 M1075	R1062-G1083 VanDerWaalsContact CD-CA 3.47Å; M1075-G1083 PolarHBondContact O-N 2.9Å
1084	L	92.4	Very high	91.1	Very high	141 Å²	141	83.7 Å²	83.7	74%	0.738	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-84	142.2	170.8	-69.6	172.6	0	0	0	110.2	H1060 F1086	H1060-L1084 WeakPolarHBondContact NE2-CD2 3.32Å; L1084-F1086 PolarHBondContact O-N 3.03Å
1085	R	93	Very high	91.3	Very high	230 Å²	230	86.6 Å²	86.6	87%	0.868	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-80.7	116.1	176.8	-176.7	173.1	-179.1	160.4	-0.7	109.8
1086	F	95.3	Very high	91.6	Very high	72 Å²	72	89 Å²	89	32%	0.316	46%	0.458	S	S	.	.			trans	-91.4	103.1	164.7	-169.2	-97.1	0	0	0	107.9	L1084 E1090 R1091 Q1094 L1103 L1107	L1084-F1086 PolarHBondContact O-N 3.03Å; F1086-E1090 HydrophobicContact CD2-CB 3.79Å; F1086-E1090 HydrophobicContact CE1-CB 4.35Å; F1086-E1090 HydrophobicContact CE2-CB 3.56Å; F1086-E1090 HydrophobicContact CG-CB 4.29Å; F1086-E1090 HydrophobicContact CZ-CB 3.86Å; F1086-R1091 HydrophobicContact CE1-CB 3.87Å; F1086-Q1094 HydrophobicContact CZ-CG 4.01Å; F1086-L1103 HydrophobicContact CE1-CD1 3.83Å; F1086-L1103 HydrophobicContact CZ-CD1 4.18Å; F1086-L1107 HydrophobicContact CD1-CD2 3.87Å; F1086-L1107 HydrophobicContact CD1-CG 4.49Å; F1086-L1107 HydrophobicContact CE1-CD2 4.31Å
1087	G	95.4	Very high	92	Very high	16 Å²	16	89.6 Å²	89.6	17%	0.165	46%	0.46	C	S	.	.			trans	-87.1	-175.8	-172.7	0	0	0	0	0	113.4	E1090 R1091	G1087-E1090 VanDerWaalsContact C-OE2 3.26Å; G1087-E1090 WeakPolarHBondContact CA-OE2 3.25Å; G1087-E1090 PolarHBondContact N-OE2 2.71Å; G1087-R1091 PolarHBondContact O-N 3.44Å; G1087-R1091 VanDerWaalsContact O-N 3.11Å
1088	E	96.9	Very high	92.6	Very high	128 Å²	128	90.5 Å²	90.5	60%	0.598	47%	0.47	S	S	*	.	H	α-helix	trans	-64.6	-41.3	177.7	172.9	157.5	-130.6	0	0	112.1	E1090 R1091 D1092	E1088-E1090 PolarHBondContact O-N 3.17Å; E1088-R1091 WeakPolarHBondContact O-CB 3.44Å; E1088-R1091 PolarHBondContact O-N 3.42Å; E1088-R1091 IonicContact OE1-CZ 2.65Å; E1088-R1091 IonicContact OE1-NH1 2.67Å; E1088-R1091 IonicContact OE1-NH2 3.79Å; E1088-R1091 PolarHBondContact OE1-NH2 3.02Å; E1088-D1092 PolarHBondContact O-N 3.08Å
1089	M	97.5	Very high	93.3	Very high	150 Å²	150	88.4 Å²	88.4	74%	0.739	47%	0.468	S	S	*	.	H	α-helix	trans	-65.3	-41.8	179.5	-63.9	-176.8	72.3	0	0	111.3	R1091 D1092 C1093	M1089-R1091 VanDerWaalsContact C-N 3.33Å; M1089-R1091 PolarHBondContact O-N 2.88Å; M1089-D1092 PolarHBondContact O-N 2.84Å; M1089-C1093 PolarHBondContact O-N 2.96Å; M1089-C1093 PolarHBondContact O-SG 3.42Å
1090	E	96.7	Very high	94.3	Very high	92 Å²	92	88 Å²	88	43%	0.43	47%	0.469	S	S	.	.	H	α-helix	trans	-64.8	-38.8	177.2	-64.9	75.4	-164.8	0	0	111.7	F1086 G1087 E1088 Q1094	F1086-E1090 HydrophobicContact CD2-CB 3.79Å; F1086-E1090 HydrophobicContact CE1-CB 4.35Å; F1086-E1090 HydrophobicContact CE2-CB 3.56Å; F1086-E1090 HydrophobicContact CG-CB 4.29Å; F1086-E1090 HydrophobicContact CZ-CB 3.86Å; G1087-E1090 VanDerWaalsContact C-OE2 3.26Å; G1087-E1090 WeakPolarHBondContact CA-OE2 3.25Å; G1087-E1090 PolarHBondContact N-OE2 2.71Å; E1088-E1090 PolarHBondContact O-N 3.17Å; E1090-Q1094 WeakPolarHBondContact O-CG 3.47Å; E1090-Q1094 PolarHBondContact O-N 3.23Å
1091	R	96.9	Very high	95.1	Very high	76 Å²	76	88.7 Å²	88.7	29%	0.287	48%	0.479	S	S	.	.	H	α-helix	trans	-57.3	-51.3	172	175.2	-159.3	74.6	-158.2	-0.8	110.6	F1086 G1087 E1088 M1089 C1093 Q1094 I1095 L1103 L1107	F1086-R1091 HydrophobicContact CE1-CB 3.87Å; G1087-R1091 PolarHBondContact O-N 3.44Å; G1087-R1091 VanDerWaalsContact O-N 3.11Å; E1088-R1091 WeakPolarHBondContact O-CB 3.44Å; E1088-R1091 PolarHBondContact O-N 3.42Å; E1088-R1091 IonicContact OE1-CZ 2.65Å; E1088-R1091 IonicContact OE1-NH1 2.67Å; E1088-R1091 IonicContact OE1-NH2 3.79Å; E1088-R1091 PolarHBondContact OE1-NH2 3.02Å; M1089-R1091 VanDerWaalsContact C-N 3.33Å; M1089-R1091 PolarHBondContact O-N 2.88Å; R1091-C1093 VanDerWaalsContact C-N 3.3Å; R1091-C1093 PolarHBondContact O-N 3.09Å; R1091-Q1094 WeakPolarHBondContact O-CB 3.43Å; R1091-Q1094 PolarHBondContact O-N 2.87Å; R1091-I1095 HydrophobicContact CG-CD1 3.98Å; R1091-I1095 WeakPolarHBondContact O-CG1 3.27Å; R1091-I1095 PolarHBondContact O-N 3.49Å; R1091-L1103 HydrophobicContact CB-CD1 4.05Å; R1091-L1103 HydrophobicContact CG-CD1 3.59Å; R1091-L1103 HydrophobicContact CG-CD2 4.07Å; R1091-L1103 HydrophobicContact CG-CG 4.41Å; R1091-L1107 HydrophobicContact CG-CD1 4.38Å
1092	D	97.7	Very high	95.8	Very high	70 Å²	70	89.1 Å²	89.1	37%	0.374	48%	0.478	S	S	.	.	H	α-helix	trans	-65.8	-34.3	-174.9	-68.8	-10.1	0	0	0	112.1	E1088 M1089 Q1094 I1095 A1096	E1088-D1092 PolarHBondContact O-N 3.08Å; M1089-D1092 PolarHBondContact O-N 2.84Å; D1092-Q1094 VanDerWaalsContact C-N 3.31Å; D1092-Q1094 PolarHBondContact O-N 3.26Å; D1092-I1095 PolarHBondContact O-N 3.28Å; D1092-A1096 PolarHBondContact O-N 3.1Å
1093	C	97.9	Very high	96.3	Very high	72 Å²	72	90.3 Å²	90.3	49%	0.486	48%	0.483	S	S	.	.	H	α-helix	trans	-58.7	-41.9	170.1	-69	0	0	0	0	112.3	M1089 R1091 A1096 H1097	M1089-C1093 PolarHBondContact O-N 2.96Å; M1089-C1093 PolarHBondContact O-SG 3.42Å; R1091-C1093 VanDerWaalsContact C-N 3.3Å; R1091-C1093 PolarHBondContact O-N 3.09Å; C1093-A1096 WeakPolarHBondContact O-CB 3.43Å; C1093-A1096 PolarHBondContact O-N 2.84Å; C1093-H1097 PolarHBondContact O-CD2 3.26Å; C1093-H1097 PolarHBondContact O-N 3.1Å; C1093-H1097 VanDerWaalsContact O-N 3.13Å
1094	Q	97.3	Very high	96.6	Very high	47 Å²	47	96.3 Å²	96.3	22%	0.22	50%	0.499	C	S	.	.	H	α-helix	trans	-71.2	-32.7	178.2	-62.6	-57.4	-40.8	0	0	112.7	F1086 E1090 R1091 D1092 A1096 H1097 G1098 A1099 F1102 L1103	F1086-Q1094 HydrophobicContact CZ-CG 4.01Å; E1090-Q1094 WeakPolarHBondContact O-CG 3.47Å; E1090-Q1094 PolarHBondContact O-N 3.23Å; R1091-Q1094 WeakPolarHBondContact O-CB 3.43Å; R1091-Q1094 PolarHBondContact O-N 2.87Å; D1092-Q1094 VanDerWaalsContact C-N 3.31Å; D1092-Q1094 PolarHBondContact O-N 3.26Å; Q1094-A1096 VanDerWaalsContact C-N 3.34Å; Q1094-H1097 PolarHBondContact O-N 2.59Å; Q1094-G1098 PolarHBondContact O-N 2.65Å; Q1094-G1098 VanDerWaalsContact O-N 3.17Å; Q1094-A1099 PolarHBondContact O-N 2.67Å; Q1094-F1102 HydrophobicContact CB-CD1 4.38Å; Q1094-F1102 VanDerWaalsContact CD-CE1 3.49Å; Q1094-F1102 HydrophobicContact CG-CD1 3.75Å; Q1094-F1102 HydrophobicContact CG-CE1 3.69Å; Q1094-F1102 VanDerWaalsContact OE1-CD1 3.3Å; Q1094-L1103 HydrophobicContact CB-CD1 4.25Å
1095	I	97.6	Very high	96.8	Very high	98 Å²	98	93 Å²	93	50%	0.503	48%	0.48	S	S	.	.	H	α-helix	trans	-63.3	-43.4	171.1	-65.1	171.8	0	0	0	109.9	R1091 D1092 H1097 G1098 L1103	R1091-I1095 HydrophobicContact CG-CD1 3.98Å; R1091-I1095 WeakPolarHBondContact O-CG1 3.27Å; R1091-I1095 PolarHBondContact O-N 3.49Å; D1092-I1095 PolarHBondContact O-N 3.28Å; I1095-H1097 VanDerWaalsContact C-N 3.27Å; I1095-H1097 PolarHBondContact O-N 3.01Å; I1095-G1098 WeakPolarHBondContact O-CA 3.35Å; I1095-G1098 PolarHBondContact O-N 3.47Å; I1095-L1103 HydrophobicContact CD1-CD2 4.2Å; I1095-L1103 HydrophobicContact CG1-CD2 3.77Å
1096	A	97.9	Very high	96.9	Very high	88 Å²	88	86.7 Å²	86.7	73%	0.727	46%	0.456	S	S	*	.	H	α-helix	trans	-61.2	-34.9	177.1	0	0	0	0	0	112.7	D1092 C1093 Q1094 G1098	D1092-A1096 PolarHBondContact O-N 3.1Å; C1093-A1096 WeakPolarHBondContact O-CB 3.43Å; C1093-A1096 PolarHBondContact O-N 2.84Å; Q1094-A1096 VanDerWaalsContact C-N 3.34Å; A1096-G1098 VanDerWaalsContact C-N 3.27Å; A1096-G1098 PolarHBondContact O-N 2.98Å
1097	H	97.4	Very high	96.9	Very high	153 Å²	153	87 Å²	87	71%	0.708	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.1	171.4	-75.6	-65.4	0	0	0	114.2	C1093 Q1094 I1095 A1099	C1093-H1097 PolarHBondContact O-CD2 3.26Å; C1093-H1097 PolarHBondContact O-N 3.1Å; C1093-H1097 VanDerWaalsContact O-N 3.13Å; Q1094-H1097 PolarHBondContact O-N 2.59Å; I1095-H1097 VanDerWaalsContact C-N 3.27Å; I1095-H1097 PolarHBondContact O-N 3.01Å; H1097-A1099 VanDerWaalsContact C-N 3.3Å; H1097-A1099 HydrophobicContact CB-CB 4.44Å
1098	G	96.9	Very high	96.9	Very high	60 Å²	60	87 Å²	87	62%	0.619	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	18.6	-173.5	0	0	0	0	0	114	Q1094 I1095 A1096 A1100	Q1094-G1098 PolarHBondContact O-N 2.65Å; Q1094-G1098 VanDerWaalsContact O-N 3.17Å; I1095-G1098 WeakPolarHBondContact O-CA 3.35Å; I1095-G1098 PolarHBondContact O-N 3.47Å; A1096-G1098 VanDerWaalsContact C-N 3.27Å; A1096-G1098 PolarHBondContact O-N 2.98Å; G1098-A1100 PolarHBondContact O-N 3.3Å
1099	A	97.6	Very high	96.8	Very high	29 Å²	29	85.1 Å²	85.1	24%	0.24	45%	0.448	C	S	.	.			trans	-82.3	59.8	-174.5	0	0	0	0	0	112.4	Q1094 H1097 Q1101 F1102 L1103	Q1094-A1099 PolarHBondContact O-N 2.67Å; H1097-A1099 VanDerWaalsContact C-N 3.3Å; H1097-A1099 HydrophobicContact CB-CB 4.44Å; A1099-Q1101 PolarHBondContact O-N 3.28Å; A1099-F1102 HydrophobicContact CB-CB 4.07Å; A1099-F1102 PolarHBondContact O-N 3.42Å; A1099-L1103 PolarHBondContact O-N 2.91Å
1100	A	96.8	Very high	96.7	Very high	75 Å²	75	80.6 Å²	80.6	62%	0.62	43%	0.434	S	S	*	.	H	α-helix	trans	-59.8	-39.8	-172.5	0	0	0	0	0	113.8	G1098 L1103 R1104	G1098-A1100 PolarHBondContact O-N 3.3Å; A1100-L1103 PolarHBondContact O-N 2.96Å; A1100-R1104 PolarHBondContact O-N 2.88Å
1101	Q	97.3	Very high	96.5	Very high	169 Å²	169	77.9 Å²	77.9	79%	0.79	43%	0.425	S	S	*	.	H	α-helix	trans	-67.6	-43.9	178.5	-176.7	171.9	0.6	0	0	111.8	A1099 L1103 R1104 E1105	A1099-Q1101 PolarHBondContact O-N 3.28Å; Q1101-L1103 VanDerWaalsContact C-N 3.29Å; Q1101-L1103 PolarHBondContact O-N 3.49Å; Q1101-R1104 PolarHBondContact O-N 3.24Å; Q1101-E1105 WeakPolarHBondContact O-CB 3.2Å; Q1101-E1105 PolarHBondContact O-N 3Å
1102	F	97.6	Very high	96.4	Very high	81 Å²	81	74.7 Å²	74.7	36%	0.355	41%	0.413	S	S	.	.	H	α-helix	trans	-59.4	-43.7	174.9	176.6	-100.3	0	0	0	110.8	Q1094 A1099 R1104 E1105 R1106	Q1094-F1102 HydrophobicContact CB-CD1 4.38Å; Q1094-F1102 VanDerWaalsContact CD-CE1 3.49Å; Q1094-F1102 HydrophobicContact CG-CD1 3.75Å; Q1094-F1102 HydrophobicContact CG-CE1 3.69Å; Q1094-F1102 VanDerWaalsContact OE1-CD1 3.3Å; A1099-F1102 HydrophobicContact CB-CB 4.07Å; A1099-F1102 PolarHBondContact O-N 3.42Å; F1102-R1104 PolarHBondContact O-N 3.47Å; F1102-E1105 WeakPolarHBondContact O-CB 3.35Å; F1102-E1105 PolarHBondContact O-N 3.31Å; F1102-R1106 HydrophobicContact CD1-CG 4.13Å; F1102-R1106 HydrophobicContact CD2-CG 4.22Å; F1102-R1106 HydrophobicContact CE1-CG 3.71Å; F1102-R1106 HydrophobicContact CE2-CG 3.82Å; F1102-R1106 HydrophobicContact CG-CG 4.38Å; F1102-R1106 HydrophobicContact CZ-CG 3.55Å; F1102-R1106 WeakPolarHBondContact O-CG 3.38Å; F1102-R1106 PolarHBondContact O-N 3.29Å
1103	L	96.6	Very high	96.3	Very high	27 Å²	27	74.7 Å²	74.7	14%	0.141	42%	0.417	C	S	.	.	H	α-helix	trans	-62.5	-44.7	179	-172.8	69.5	0	0	0	112.2	F1086 R1091 Q1094 I1095 A1099 A1100 Q1101 R1106 L1107	F1086-L1103 HydrophobicContact CE1-CD1 3.83Å; F1086-L1103 HydrophobicContact CZ-CD1 4.18Å; R1091-L1103 HydrophobicContact CB-CD1 4.05Å; R1091-L1103 HydrophobicContact CG-CD1 3.59Å; R1091-L1103 HydrophobicContact CG-CD2 4.07Å; R1091-L1103 HydrophobicContact CG-CG 4.41Å; Q1094-L1103 HydrophobicContact CB-CD1 4.25Å; I1095-L1103 HydrophobicContact CD1-CD2 4.2Å; I1095-L1103 HydrophobicContact CG1-CD2 3.77Å; A1099-L1103 PolarHBondContact O-N 2.91Å; A1100-L1103 PolarHBondContact O-N 2.96Å; Q1101-L1103 VanDerWaalsContact C-N 3.29Å; Q1101-L1103 PolarHBondContact O-N 3.49Å; L1103-R1106 PolarHBondContact O-N 2.98Å; L1103-L1107 HydrophobicContact CD1-CD1 3.88Å; L1103-L1107 HydrophobicContact CD1-CG 4.25Å; L1103-L1107 HydrophobicContact CG-CD1 3.97Å; L1103-L1107 WeakPolarHBondContact O-CB 3.34Å; L1103-L1107 PolarHBondContact O-N 3.39Å
1104	R	96.6	Very high	96.2	Very high	149 Å²	149	74.6 Å²	74.6	56%	0.562	41%	0.407	S	S	*	.	H	α-helix	trans	-60.3	-45.4	174.1	175.5	179.1	158.3	165.9	-4.8	111.3	A1100 Q1101 F1102 R1106 F1108	A1100-R1104 PolarHBondContact O-N 2.88Å; Q1101-R1104 PolarHBondContact O-N 3.24Å; F1102-R1104 PolarHBondContact O-N 3.47Å; R1104-R1106 PolarHBondContact O-N 3.27Å; R1104-F1108 VanDerWaalsContact O-CB 3.25Å; R1104-F1108 WeakPolarHBondContact O-CB 3.16Å; R1104-F1108 PolarHBondContact O-N 3.47Å
1105	E	96.3	Very high	96.2	Very high	72 Å²	72	77.1 Å²	77.1	34%	0.336	42%	0.419	S	S	.	.	I	π-helix	trans	-58.9	-48.8	178.4	-171.1	-159.2	161.2	0	0	111.2	Q1101 F1102 E1109 A1110	Q1101-E1105 WeakPolarHBondContact O-CB 3.2Å; Q1101-E1105 PolarHBondContact O-N 3Å; F1102-E1105 WeakPolarHBondContact O-CB 3.35Å; F1102-E1105 PolarHBondContact O-N 3.31Å; E1105-E1109 HydrophobicContact CG-CB 4.36Å; E1105-E1109 CarbonylContact O-C 3.54Å; E1105-E1109 WeakPolarHBondContact O-CA 3.22Å; E1105-E1109 WeakPolarHBondContact O-CB 3.31Å; E1105-E1109 PolarHBondContact O-N 3.15Å; E1105-A1110 PolarHBondContact O-N 3.29Å
1106	R	94.9	Very high	96.1	Very high	96 Å²	96	73 Å²	73	36%	0.362	40%	0.398	S	S	.	.	I	π-helix	trans	-66.8	-46.1	-177.7	-67.5	-60.7	97.5	179.7	4.8	113.1	F1102 L1103 R1104	F1102-R1106 HydrophobicContact CD1-CG 4.13Å; F1102-R1106 HydrophobicContact CD2-CG 4.22Å; F1102-R1106 HydrophobicContact CE1-CG 3.71Å; F1102-R1106 HydrophobicContact CE2-CG 3.82Å; F1102-R1106 HydrophobicContact CG-CG 4.38Å; F1102-R1106 HydrophobicContact CZ-CG 3.55Å; F1102-R1106 WeakPolarHBondContact O-CG 3.38Å; F1102-R1106 PolarHBondContact O-N 3.29Å; L1103-R1106 PolarHBondContact O-N 2.98Å; R1104-R1106 PolarHBondContact O-N 3.27Å
1107	L	95.7	Very high	96	Very high	78 Å²	78	70.5 Å²	70.5	41%	0.408	37%	0.372	S	S	.	.	I	π-helix	trans	-78.9	-28.1	-176.3	-70.9	178.6	0	0	0	113.6	F1086 R1091 L1103	F1086-L1107 HydrophobicContact CD1-CD2 3.87Å; F1086-L1107 HydrophobicContact CD1-CG 4.49Å; F1086-L1107 HydrophobicContact CE1-CD2 4.31Å; R1091-L1107 HydrophobicContact CG-CD1 4.38Å; L1103-L1107 HydrophobicContact CD1-CD1 3.88Å; L1103-L1107 HydrophobicContact CD1-CG 4.25Å; L1103-L1107 HydrophobicContact CG-CD1 3.97Å; L1103-L1107 WeakPolarHBondContact O-CB 3.34Å; L1103-L1107 PolarHBondContact O-N 3.39Å
1108	F	95.4	Very high	95.9	Very high	18 Å²	18	63.2 Å²	63.2	8%	0.079	34%	0.338	C	S	.	.	I	π-helix	trans	-112	-57.5	-175.8	176.2	-125.5	0	0	0	112.9	R1104 D1112 P1113 R1150 M1151 P1152	R1104-F1108 VanDerWaalsContact O-CB 3.25Å; R1104-F1108 WeakPolarHBondContact O-CB 3.16Å; R1104-F1108 PolarHBondContact O-N 3.47Å; F1108-D1112 CarbonylContact O-C 3.55Å; F1108-D1112 PolarHBondContact O-N 3.04Å; F1108-P1113 HydrophobicContact CE2-CB 4.3Å; F1108-P1113 HydrophobicContact CZ-CB 4.34Å; F1108-P1113 WeakPolarHBondContact O-CD 3.47Å; F1108-R1150 HydrophobicContact CE1-CB 4.15Å; F1108-R1150 HydrophobicContact CZ-CB 3.85Å; F1108-M1151 WeakPolarHBondContact CE2-O 3.28Å; F1108-P1152 HydrophobicContact CD2-CB 4.26Å; F1108-P1152 HydrophobicContact CD2-CG 3.79Å; F1108-P1152 HydrophobicContact CE2-CG 4.47Å
1109	E	95.1	Very high	95.8	Very high	88 Å²	88	60.3 Å²	60.3	41%	0.411	31%	0.308	S	S	.	.	I	π-helix	trans	-76.7	-37.9	-169.7	-59.3	-168.9	162	0	0	113.3	E1105	E1105-E1109 HydrophobicContact CG-CB 4.36Å; E1105-E1109 CarbonylContact O-C 3.54Å; E1105-E1109 WeakPolarHBondContact O-CA 3.22Å; E1105-E1109 WeakPolarHBondContact O-CB 3.31Å; E1105-E1109 PolarHBondContact O-N 3.15Å
1110	A	93.8	Very high	95.6	Very high	55 Å²	55	60.8 Å²	60.8	46%	0.455	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-9.4	-179	0	0	0	0	0	114.1	E1105	E1105-A1110 PolarHBondContact O-N 3.29Å
1111	S	93.1	Very high	95.4	Very high	34 Å²	34	62 Å²	62	24%	0.238	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-74.6	-175.6	170.4	0	0	0	0	111.9
1112	D	94.2	Very high	95.1	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.048	27%	0.268	C	S	.	.			trans	-144.5	59.5	-168.7	60.2	-52.7	0	0	0	112.5	Q1073 F1108 Y1114 P1152 Y1153 A1154	Q1073-D1112 HydrophobicContact CG-CB 4.43Å; F1108-D1112 CarbonylContact O-C 3.55Å; F1108-D1112 PolarHBondContact O-N 3.04Å; D1112-Y1114 PolarHBondContact O-N 3.08Å; D1112-P1152 WeakPolarHBondContact OD2-CB 3.49Å; D1112-Y1153 PolarHBondContact O-N 2.98Å; D1112-Y1153 PolarHBondContact OD2-N 3.37Å; D1112-A1154 PolarHBondContact OD2-N 3.3Å
1113	P	96.4	Very high	94.9	Very high	70 Å²	70	50.6 Å²	50.6	46%	0.455	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	120.8	179.1	27.4	-33.8	0	0	0	110.6	F1108	F1108-P1113 HydrophobicContact CE2-CB 4.3Å; F1108-P1113 HydrophobicContact CZ-CB 4.34Å; F1108-P1113 WeakPolarHBondContact O-CD 3.47Å
1114	Y	96.7	Very high	94.8	Very high	71 Å²	71	51.8 Å²	51.8	28%	0.278	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	159.8	-179.9	-159.3	-104.5	0	0	0	112.1	D1112 V1116 R1150 M1151 Y1153 K1156	D1112-Y1114 PolarHBondContact O-N 3.08Å; Y1114-V1116 HydrophobicContact CD1-CG1 3.83Å; Y1114-V1116 HydrophobicContact CE1-CG1 3.73Å; Y1114-R1150 WeakPolarHBondContact O-CA 3.47Å; Y1114-M1151 CarbonylContact C-O 3.54Å; Y1114-M1151 WeakPolarHBondContact CA-O 3.21Å; Y1114-M1151 WeakPolarHBondContact CB-O 3.05Å; Y1114-M1151 PolarHBondContact N-O 3.4Å; Y1114-M1151 PolarHBondContact O-N 2.93Å; Y1114-Y1153 AromaticContact CD1-CD2 3.91Å; Y1114-Y1153 HydrophobicContact CD1-CD2 3.91Å; Y1114-Y1153 AromaticContact CD2-CD2 3.62Å; Y1114-Y1153 HydrophobicContact CD2-CD2 3.62Å; Y1114-Y1153 HydrophobicContact CD2-CE2 4.36Å; Y1114-Y1153 HydrophobicContact CE1-CD2 4.07Å; Y1114-Y1153 HydrophobicContact CE1-CE2 4.33Å; Y1114-Y1153 AromaticContact CE2-CD2 3.77Å; Y1114-Y1153 HydrophobicContact CE2-CD2 3.77Å; Y1114-Y1153 HydrophobicContact CE2-CE2 4.04Å; Y1114-Y1153 AromaticContact CG-CD2 3.68Å; Y1114-Y1153 HydrophobicContact CG-CD2 3.68Å; Y1114-Y1153 HydrophobicContact CG-CG 4.47Å; Y1114-Y1153 AromaticContact CZ-CD2 4Å; Y1114-K1156 HydrophobicContact CD1-CD 4.07Å; Y1114-K1156 HydrophobicContact CE1-CD 3.73Å
1115	Q	95.6	Very high	94.7	Very high	100 Å²	100	46.8 Å²	46.8	47%	0.467	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.5	-177.6	-52.9	-172.1	-17.8	0	0	109.9	L1148 V1149 R1150	Q1115-L1148 HydrophobicContact CB-CD1 4Å; Q1115-V1149 WeakPolarHBondContact CA-O 3.25Å; Q1115-R1150 HydrophobicContact CG-CG 4.18Å
1116	V	96	Very high	94.6	Very high	11 Å²	11	44.2 Å²	44.2	7%	0.067	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.8	178.1	-64.9	0	0	0	0	110.6	Y1114 V1118 M1125 V1149 M1151 K1156	Y1114-V1116 HydrophobicContact CD1-CG1 3.83Å; Y1114-V1116 HydrophobicContact CE1-CG1 3.73Å; V1116-V1118 HydrophobicContact CG2-CG2 4.04Å; V1116-M1125 HydrophobicContact CB-CG 4.37Å; V1116-M1125 HydrophobicContact CB-SD 4.38Å; V1116-M1125 HydrophobicContact CG1-SD 4.04Å; V1116-V1149 HydrophobicContact CG2-CB 4.44Å; V1116-V1149 PolarHBondContact N-O 3.01Å; V1116-V1149 PolarHBondContact O-N 3.21Å; V1116-M1151 HydrophobicContact CG1-SD 4.4Å; V1116-M1151 HydrophobicContact CG2-CG 4.05Å; V1116-M1151 HydrophobicContact CG2-SD 3.47Å; V1116-M1151 WeakPolarHBondContact CG2-SD 3.13Å; V1116-K1156 HydrophobicContact CG1-CG 4.12Å
1117	H	95.6	Very high	94.6	Very high	35 Å²	35	43.7 Å²	43.7	16%	0.162	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.8	173.3	-66.4	76.7	0	0	0	108.8	M1125 A1126 A1128 Y1135 I1146 S1147	H1117-M1125 CarbonylContact O-C 3.6Å; H1117-M1125 WeakPolarHBondContact O-CA 3.37Å; H1117-A1126 PolarHBondContact O-N 3.2Å; H1117-A1128 HydrophobicContact CB-CB 3.65Å; H1117-A1128 VanDerWaalsContact CG-CB 3.43Å; H1117-A1128 WeakPolarHBondContact ND1-CB 3.09Å; H1117-Y1135 AromaticContact CD2-CE1 3.81Å; H1117-Y1135 AromaticContact NE2-CE1 3.61Å; H1117-Y1135 AromaticContact NE2-CZ 3.8Å; H1117-I1146 HydrophobicContact CB-CG2 3.76Å; H1117-S1147 WeakPolarHBondContact CA-O 3.48Å
1118	V	96	Very high	94.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.2	-172.3	178.1	0	0	0	0	109.5	V1116 N1120 I1146 S1147 V1149 M1171	V1116-V1118 HydrophobicContact CG2-CG2 4.04Å; V1118-N1120 PolarHBondContact O-N 2.65Å; V1118-I1146 CarbonylContact O-C 3.57Å; V1118-I1146 WeakPolarHBondContact O-CA 3.49Å; V1118-I1146 WeakPolarHBondContact O-CG2 3.47Å; V1118-S1147 PolarHBondContact N-O 3.23Å; V1118-S1147 PolarHBondContact O-N 3.25Å; V1118-V1149 HydrophobicContact CB-CG2 4.5Å; V1118-V1149 HydrophobicContact CG2-CB 4.45Å; V1118-V1149 HydrophobicContact CG2-CG2 4.17Å; V1118-M1171 HydrophobicContact CG1-CG 3.88Å; V1118-M1171 WeakPolarHBondContact CG1-O 3.46Å; V1118-M1171 HydrophobicContact CG1-SD 4.44Å; V1118-M1171 HydrophobicContact CG2-CE 3.65Å; V1118-M1171 HydrophobicContact CG2-CG 4.14Å; V1118-M1171 HydrophobicContact CG2-SD 3.59Å; V1118-M1171 VanDerWaalsContact CG2-SD 3.59Å
1119	C	95.1	Very high	94.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	122.6	175.7	178.3	0	0	0	0	110.9	L1121 C1122 G1123 I1124 C1137 N1142 I1146	C1119-L1121 PolarHBondContact O-N 2.66Å; C1119-L1121 VanDerWaalsContact O-N 3.15Å; C1119-C1122 PolarHBondContact O-N 2.86Å; C1119-G1123 WeakPolarHBondContact O-CA 3.48Å; C1119-G1123 PolarHBondContact O-N 2.9Å; C1119-I1124 PolarHBondContact N-O 3.2Å; C1119-C1137 HydrophobicContact CB-CB 3.73Å; C1119-N1142 PolarHBondContact SG-ND2 3.34Å; C1119-N1142 VanDerWaalsContact SG-ND2 3.4Å; C1119-I1146 HydrophobicContact CB-CD1 3.89Å
1120	N	93.3	Very high	94.3	Very high	39 Å²	39	43.9 Å²	43.9	21%	0.209	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.8	-177.3	-69.2	5.8	0	0	0	113.3	V1118 Q1145 S1147 S1173	V1118-N1120 PolarHBondContact O-N 2.65Å; N1120-Q1145 HydrophobicContact CB-CB 4.25Å; N1120-Q1145 PolarHBondContact N-O 3.05Å; N1120-Q1145 VanDerWaalsContact N-O 3.17Å; N1120-S1147 VanDerWaalsContact CG-OG 3.3Å; N1120-S1147 PolarHBondContact ND2-OG 3.23Å; N1120-S1147 VanDerWaalsContact OD1-CB 3.29Å; N1120-S1147 WeakPolarHBondContact OD1-CB 3.46Å; N1120-S1147 PolarHBondContact OD1-N 3.37Å; N1120-S1147 PolarHBondContact OD1-OG 3.17Å; N1120-S1173 PolarHBondContact OD1-OG 3.38Å
1121	L	92.1	Very high	94.4	Very high	99 Å²	99	51.6 Å²	51.6	52%	0.518	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-41.7	-178.9	-59.7	179.6	0	0	0	113.8	C1119 C1140 N1142	C1119-L1121 PolarHBondContact O-N 2.66Å; C1119-L1121 VanDerWaalsContact O-N 3.15Å; L1121-C1140 HydrophobicContact CB-CB 4.41Å; L1121-C1140 HydrophobicContact CD1-CB 4.19Å; L1121-N1142 HydrophobicContact CD1-CB 3.98Å
1122	C	91.1	Very high	94.4	Very high	10 Å²	10	53.3 Å²	53.3	7%	0.068	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-14.2	-173.9	61.4	0	0	0	0	114.5	C1119 I1124 C1140 R1170	C1119-C1122 PolarHBondContact O-N 2.86Å; C1122-I1124 PolarHBondContact O-N 2.83Å; C1122-C1140 WeakPolarHBondContact CB-SG 3.45Å; C1122-R1170 WeakPolarHBondContact O-CB 3.49Å; C1122-R1170 WeakPolarHBondContact O-CD 3.43Å; C1122-R1170 WeakPolarHBondContact O-CG 3.35Å; C1122-R1170 PolarHBondContact O-NH1 3.22Å
1123	G	92.6	Very high	94.3	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.01	31%	0.305	C	S	.	.			trans	70.2	15	-177	0	0	0	0	0	114.2	C1119 M1171	C1119-G1123 WeakPolarHBondContact O-CA 3.48Å; C1119-G1123 PolarHBondContact O-N 2.9Å; G1123-M1171 WeakPolarHBondContact CA-O 3.3Å; G1123-M1171 WeakPolarHBondContact O-CG 3.35Å; G1123-M1171 PolarHBondContact O-N 3.26Å
1124	I	94.6	Very high	94.1	Very high	52 Å²	52	60.3 Å²	60.3	27%	0.267	31%	0.308	S	S	.	.	S	Bend	trans	-99	149.9	177.4	-62.3	174.5	0	0	0	109.6	C1119 C1122 A1126 M1163	C1119-I1124 PolarHBondContact N-O 3.2Å; C1122-I1124 PolarHBondContact O-N 2.83Å; I1124-A1126 PolarHBondContact O-N 3.05Å; I1124-M1163 HydrophobicContact CB-CE 4.47Å; I1124-M1163 HydrophobicContact CG1-CE 4.37Å; I1124-M1163 HydrophobicContact CG2-CE 3.8Å; I1124-M1163 HydrophobicContact CG2-SD 4.46Å
1125	M	95.6	Very high	94	Very high	44 Å²	44	59.8 Å²	59.8	22%	0.217	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-57.2	128.1	174.8	-69	179.3	-81.8	0	0	111.4	V1116 H1117 K1156 F1159 Q1160 M1163	V1116-M1125 HydrophobicContact CB-CG 4.37Å; V1116-M1125 HydrophobicContact CB-SD 4.38Å; V1116-M1125 HydrophobicContact CG1-SD 4.04Å; H1117-M1125 CarbonylContact O-C 3.6Å; H1117-M1125 WeakPolarHBondContact O-CA 3.37Å; M1125-K1156 HydrophobicContact CE-CG 4.46Å; M1125-K1156 HydrophobicContact SD-CG 3.9Å; M1125-F1159 HydrophobicContact CE-CB 4.23Å; M1125-Q1160 HydrophobicContact CE-CG 3.87Å; M1125-M1163 HydrophobicContact CE-CE 4.21Å; M1125-M1163 HydrophobicContact CE-SD 4.39Å
1126	A	94.3	Very high	93.9	Very high	19 Å²	19	57.6 Å²	57.6	16%	0.157	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-92.6	161.7	-178.5	0	0	0	0	0	111.9	H1117 I1124 A1128 C1137 I1146	H1117-A1126 PolarHBondContact O-N 3.2Å; I1124-A1126 PolarHBondContact O-N 3.05Å; A1126-A1128 PolarHBondContact O-N 2.68Å; A1126-C1137 HydrophobicContact CB-CB 4.44Å; A1126-I1146 HydrophobicContact CB-CD1 3.92Å; A1126-I1146 HydrophobicContact CB-CG2 4.15Å
1127	I	94.9	Very high	93.8	Very high	85 Å²	85	57.7 Å²	57.7	44%	0.436	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	117.9	170.1	-57.9	173.2	0	0	0	106.8	Y1135 E1136 R1138	I1127-Y1135 WeakPolarHBondContact O-CA 3.01Å; I1127-E1136 HydrophobicContact CB-CG 4.02Å; I1127-E1136 WeakPolarHBondContact CB-O 3.4Å; I1127-E1136 HydrophobicContact CD1-CG 4.46Å; I1127-E1136 HydrophobicContact CG2-CG 4.43Å; I1127-E1136 PolarHBondContact N-O 2.96Å; I1127-E1136 PolarHBondContact O-N 2.96Å; I1127-R1138 HydrophobicContact CD1-CG 4.09Å
1128	A	94	Very high	93.7	Very high	40 Å²	40	65 Å²	65	33%	0.331	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.6	-177.8	0	0	0	0	0	111.9	H1117 A1126 Y1135	H1117-A1128 HydrophobicContact CB-CB 3.65Å; H1117-A1128 VanDerWaalsContact CG-CB 3.43Å; H1117-A1128 WeakPolarHBondContact ND1-CB 3.09Å; A1126-A1128 PolarHBondContact O-N 2.68Å; A1128-Y1135 HydrophobicContact CB-CD1 3.54Å; A1128-Y1135 HydrophobicContact CB-CE1 3.91Å
1129	N	93.6	Very high	93.3	Very high	65 Å²	65	68.7 Å²	68.7	35%	0.348	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	96.3	168.4	-173.5	-11.6	0	0	0	109	R1131 T1132 H1133 T1134	N1129-R1131 PolarHBondContact O-N 3.46Å; N1129-R1131 WeakPolarHBondContact OD1-CB 3.42Å; N1129-R1131 PolarHBondContact OD1-N 2.86Å; N1129-R1131 VanDerWaalsContact OD1-N 3.12Å; N1129-T1132 PolarHBondContact ND2-OG1 3.32Å; N1129-T1132 PolarHBondContact O-N 3.05Å; N1129-H1133 WeakPolarHBondContact O-CA 3.39Å; N1129-H1133 PolarHBondContact O-N 3.24Å; N1129-T1134 PolarHBondContact N-O 3.18Å; N1129-T1134 PolarHBondContact O-N 2.97Å
1130	T	92.8	Very high	93.1	Very high	82 Å²	82	71 Å²	71	50%	0.503	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.1	-178.9	-47.2	0	0	0	0	112.4
1131	R	94.1	Very high	93	Very high	217 Å²	217	80 Å²	80	82%	0.819	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-37.8	-180	-169.9	-178.1	70.3	-173.6	1.7	112.5	N1129	N1129-R1131 PolarHBondContact O-N 3.46Å; N1129-R1131 WeakPolarHBondContact OD1-CB 3.42Å; N1129-R1131 PolarHBondContact OD1-N 2.86Å; N1129-R1131 VanDerWaalsContact OD1-N 3.12Å
1132	T	94.2	Very high	92.9	Very high	71 Å²	71	75.9 Å²	75.9	44%	0.436	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	1.4	178.7	51.3	0	0	0	0	112.6	N1129 T1134	N1129-T1132 PolarHBondContact ND2-OG1 3.32Å; N1129-T1132 PolarHBondContact O-N 3.05Å; T1132-T1134 PolarHBondContact O-N 3.22Å; T1132-T1134 VanDerWaalsContact O-N 3.14Å; T1132-T1134 PolarHBondContact OG1-OG1 3.35Å
1133	H	91.3	Very high	92.9	Very high	142 Å²	142	81.9 Å²	81.9	66%	0.657	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	28.4	-171.3	-62	-69.9	0	0	0	114.1	N1129	N1129-H1133 WeakPolarHBondContact O-CA 3.39Å; N1129-H1133 PolarHBondContact O-N 3.24Å
1134	T	92.3	Very high	92.7	Very high	84 Å²	84	88 Å²	88	52%	0.515	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.5	178.1	55.4	0	0	0	0	109.8	N1129 T1132	N1129-T1134 PolarHBondContact N-O 3.18Å; N1129-T1134 PolarHBondContact O-N 2.97Å; T1132-T1134 PolarHBondContact O-N 3.22Å; T1132-T1134 VanDerWaalsContact O-N 3.14Å; T1132-T1134 PolarHBondContact OG1-OG1 3.35Å
1135	Y	95.3	Very high	92.6	Very high	59 Å²	59	90.3 Å²	90.3	23%	0.231	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.9	176.2	-50.2	-52.2	0	0	0	109.3	H1117 I1127 A1128 K1143	H1117-Y1135 AromaticContact CD2-CE1 3.81Å; H1117-Y1135 AromaticContact NE2-CE1 3.61Å; H1117-Y1135 AromaticContact NE2-CZ 3.8Å; I1127-Y1135 WeakPolarHBondContact O-CA 3.01Å; A1128-Y1135 HydrophobicContact CB-CD1 3.54Å; A1128-Y1135 HydrophobicContact CB-CE1 3.91Å; Y1135-K1143 VanDerWaalsContact O-CA 3.32Å; Y1135-K1143 WeakPolarHBondContact O-CA 3.22Å
1136	E	94.1	Very high	92.5	Very high	55 Å²	55	89.5 Å²	89.5	26%	0.257	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139	178.1	67	167.6	-156.7	0	0	112.9	I1127 R1138 K1143	I1127-E1136 HydrophobicContact CB-CG 4.02Å; I1127-E1136 WeakPolarHBondContact CB-O 3.4Å; I1127-E1136 HydrophobicContact CD1-CG 4.46Å; I1127-E1136 HydrophobicContact CG2-CG 4.43Å; I1127-E1136 PolarHBondContact N-O 2.96Å; I1127-E1136 PolarHBondContact O-N 2.96Å; E1136-R1138 IonicContact OE1-CZ 2.72Å; E1136-R1138 IonicContact OE1-NE 3.76Å; E1136-R1138 PolarHBondContact OE1-NE 2.78Å; E1136-R1138 IonicContact OE1-NH2 3.51Å; E1136-K1143 HydrophobicContact CB-CD 4.43Å; E1136-K1143 HydrophobicContact CB-CG 3.96Å; E1136-K1143 WeakPolarHBondContact OE2-CE 3.24Å; E1136-K1143 IonicContact OE2-NZ 2.68Å
1137	C	93.3	Very high	92.5	Very high	13 Å²	13	90 Å²	90	9%	0.088	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-111.1	110.1	167.1	178.1	0	0	0	0	109	C1119 A1126 R1141 N1142 I1146	C1119-C1137 HydrophobicContact CB-CB 3.73Å; A1126-C1137 HydrophobicContact CB-CB 4.44Å; C1137-R1141 VanDerWaalsContact O-CA 3.26Å; C1137-R1141 WeakPolarHBondContact O-CA 3.29Å; C1137-R1141 PolarHBondContact O-N 3.2Å; C1137-N1142 PolarHBondContact N-O 2.84Å; C1137-N1142 PolarHBondContact O-N 3.2Å; C1137-I1146 HydrophobicContact CB-CD1 4.35Å
1138	R	92.8	Very high	92.5	Very high	188 Å²	188	90.4 Å²	90.4	71%	0.709	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-38	-176.9	-66.5	-175.4	179.1	-178.9	0.1	113	I1127 E1136 C1140 R1141	I1127-R1138 HydrophobicContact CD1-CG 4.09Å; E1136-R1138 IonicContact OE1-CZ 2.72Å; E1136-R1138 IonicContact OE1-NE 3.76Å; E1136-R1138 PolarHBondContact OE1-NE 2.78Å; E1136-R1138 IonicContact OE1-NH2 3.51Å; R1138-C1140 PolarHBondContact O-N 3.34Å; R1138-R1141 PolarHBondContact O-N 2.7Å
1139	G	89.1	Confident	92.6	Very high	78 Å²	78	90.2 Å²	90.2	80%	0.804	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-36.2	-179.5	0	0	0	0	0	113.6
1140	C	89.6	Confident	92.7	Very high	47 Å²	47	93.2 Å²	93.2	32%	0.318	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-4.6	179.5	-63.8	0	0	0	0	114	L1121 C1122 R1138 N1142	L1121-C1140 HydrophobicContact CB-CB 4.41Å; L1121-C1140 HydrophobicContact CD1-CB 4.19Å; C1122-C1140 WeakPolarHBondContact CB-SG 3.45Å; R1138-C1140 PolarHBondContact O-N 3.34Å; C1140-N1142 HydrophobicContact CB-CB 4.18Å; C1140-N1142 PolarHBondContact O-N 3.2Å; C1140-N1142 VanDerWaalsContact O-N 3.09Å
1141	R	91.3	Very high	92.8	Very high	229 Å²	229	90 Å²	90	86%	0.864	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	27.8	-170.5	-56.4	-176.9	-179.8	-173.5	0.1	113.8	C1137 R1138	C1137-R1141 VanDerWaalsContact O-CA 3.26Å; C1137-R1141 WeakPolarHBondContact O-CA 3.29Å; C1137-R1141 PolarHBondContact O-N 3.2Å; R1138-R1141 PolarHBondContact O-N 2.7Å
1142	N	90.4	Very high	92.9	Very high	12 Å²	12	81.6 Å²	81.6	6%	0.064	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-94.1	130.6	-179.4	175.3	22.5	0	0	0	109.9	C1119 L1121 C1137 C1140 T1144 Q1145	C1119-N1142 PolarHBondContact SG-ND2 3.34Å; C1119-N1142 VanDerWaalsContact SG-ND2 3.4Å; L1121-N1142 HydrophobicContact CD1-CB 3.98Å; C1137-N1142 PolarHBondContact N-O 2.84Å; C1137-N1142 PolarHBondContact O-N 3.2Å; C1140-N1142 HydrophobicContact CB-CB 4.18Å; C1140-N1142 PolarHBondContact O-N 3.2Å; C1140-N1142 VanDerWaalsContact O-N 3.09Å; N1142-T1144 PolarHBondContact OD1-N 3.41Å; N1142-T1144 VanDerWaalsContact OD1-N 3.16Å; N1142-Q1145 PolarHBondContact ND2-O 3.2Å; N1142-Q1145 PolarHBondContact OD1-N 3.03Å
1143	K	90.6	Very high	93.1	Very high	137 Å²	137	79.4 Å²	79.4	60%	0.596	40%	0.397	S	S	*	.	S	Bend	trans	-122.1	-15	178.1	-66.4	-170.7	174.2	-173	0	113.8	Y1135 E1136	Y1135-K1143 VanDerWaalsContact O-CA 3.32Å; Y1135-K1143 WeakPolarHBondContact O-CA 3.22Å; E1136-K1143 HydrophobicContact CB-CD 4.43Å; E1136-K1143 HydrophobicContact CB-CG 3.96Å; E1136-K1143 WeakPolarHBondContact OE2-CE 3.24Å; E1136-K1143 IonicContact OE2-NZ 2.68Å
1144	T	89.1	Confident	93.4	Very high	128 Å²	128	74.4 Å²	74.4	79%	0.785	38%	0.38	S	S	*	.	S	Bend	trans	-101.6	-40.1	-172	46.2	0	0	0	0	112.3	N1142 I1146	N1142-T1144 PolarHBondContact OD1-N 3.41Å; N1142-T1144 VanDerWaalsContact OD1-N 3.16Å; T1144-I1146 PolarHBondContact O-N 3.03Å
1145	Q	91.6	Very high	93.6	Very high	102 Å²	102	72.2 Å²	72.2	48%	0.477	37%	0.368	S	S	.	.			trans	-100.1	75.2	-173.5	-60.5	177.4	-5.6	0	0	111.8	N1120 N1142	N1120-Q1145 HydrophobicContact CB-CB 4.25Å; N1120-Q1145 PolarHBondContact N-O 3.05Å; N1120-Q1145 VanDerWaalsContact N-O 3.17Å; N1142-Q1145 PolarHBondContact ND2-O 3.2Å; N1142-Q1145 PolarHBondContact OD1-N 3.03Å
1146	I	93.5	Very high	93.7	Very high	27 Å²	27	70.6 Å²	70.6	14%	0.138	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	124.1	178.4	-55.2	-60.7	0	0	0	108.9	H1117 V1118 C1119 A1126 C1137 T1144	H1117-I1146 HydrophobicContact CB-CG2 3.76Å; V1118-I1146 CarbonylContact O-C 3.57Å; V1118-I1146 WeakPolarHBondContact O-CA 3.49Å; V1118-I1146 WeakPolarHBondContact O-CG2 3.47Å; C1119-I1146 HydrophobicContact CB-CD1 3.89Å; A1126-I1146 HydrophobicContact CB-CD1 3.92Å; A1126-I1146 HydrophobicContact CB-CG2 4.15Å; C1137-I1146 HydrophobicContact CB-CD1 4.35Å; T1144-I1146 PolarHBondContact O-N 3.03Å
1147	S	94.5	Very high	93.8	Very high	30 Å²	30	69.7 Å²	69.7	21%	0.21	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	142.7	178.6	-60.5	0	0	0	0	111.6	H1117 V1118 N1120 S1173	H1117-S1147 WeakPolarHBondContact CA-O 3.48Å; V1118-S1147 PolarHBondContact N-O 3.23Å; V1118-S1147 PolarHBondContact O-N 3.25Å; N1120-S1147 VanDerWaalsContact CG-OG 3.3Å; N1120-S1147 PolarHBondContact ND2-OG 3.23Å; N1120-S1147 VanDerWaalsContact OD1-CB 3.29Å; N1120-S1147 WeakPolarHBondContact OD1-CB 3.46Å; N1120-S1147 PolarHBondContact OD1-N 3.37Å; N1120-S1147 PolarHBondContact OD1-OG 3.17Å; S1147-S1173 VanDerWaalsContact CB-OG 3.25Å; S1147-S1173 WeakPolarHBondContact CB-OG 3.45Å; S1147-S1173 PolarHBondContact OG-OG 2.94Å; S1147-S1173 VanDerWaalsContact OG-OG 3.06Å
1148	L	95.1	Very high	94	Very high	92 Å²	92	73.6 Å²	73.6	48%	0.482	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.2	170.8	-178.8	66.1	0	0	0	109.3	Q1115	Q1115-L1148 HydrophobicContact CB-CD1 4Å
1149	V	95.3	Very high	94.2	Very high	36 Å²	36	66.5 Å²	66.5	22%	0.218	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.6	177.8	-177	0	0	0	0	110.1	Q1115 V1116 V1118 M1171	Q1115-V1149 WeakPolarHBondContact CA-O 3.25Å; V1116-V1149 HydrophobicContact CG2-CB 4.44Å; V1116-V1149 PolarHBondContact N-O 3.01Å; V1116-V1149 PolarHBondContact O-N 3.21Å; V1118-V1149 HydrophobicContact CB-CG2 4.5Å; V1118-V1149 HydrophobicContact CG2-CB 4.45Å; V1118-V1149 HydrophobicContact CG2-CG2 4.17Å; V1149-M1171 HydrophobicContact CB-CE 3.7Å; V1149-M1171 HydrophobicContact CG1-CE 3.51Å; V1149-M1171 HydrophobicContact CG2-CE 3.86Å
1150	R	95.9	Very high	94.6	Very high	129 Å²	129	66.6 Å²	66.6	49%	0.487	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	121	173.6	-63.5	-173.5	66.9	179.9	-4.8	108.6	F1108 Y1114 Q1115	F1108-R1150 HydrophobicContact CE1-CB 4.15Å; F1108-R1150 HydrophobicContact CZ-CB 3.85Å; Y1114-R1150 WeakPolarHBondContact O-CA 3.47Å; Q1115-R1150 HydrophobicContact CG-CG 4.18Å
1151	M	95.4	Very high	95	Very high	14 Å²	14	69.3 Å²	69.3	7%	0.069	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.3	-179.9	67.6	-175	-57.3	0	0	110.3	F1108 Y1114 V1116 C1155 K1156 F1159 M1171	F1108-M1151 WeakPolarHBondContact CE2-O 3.28Å; Y1114-M1151 CarbonylContact C-O 3.54Å; Y1114-M1151 WeakPolarHBondContact CA-O 3.21Å; Y1114-M1151 WeakPolarHBondContact CB-O 3.05Å; Y1114-M1151 PolarHBondContact N-O 3.4Å; Y1114-M1151 PolarHBondContact O-N 2.93Å; V1116-M1151 HydrophobicContact CG1-SD 4.4Å; V1116-M1151 HydrophobicContact CG2-CG 4.05Å; V1116-M1151 HydrophobicContact CG2-SD 3.47Å; V1116-M1151 WeakPolarHBondContact CG2-SD 3.13Å; M1151-C1155 HydrophobicContact CE-CB 3.65Å; M1151-C1155 WeakPolarHBondContact CE-SG 3.37Å; M1151-K1156 HydrophobicContact SD-CB 4.36Å; M1151-F1159 HydrophobicContact CE-CD2 3.67Å; M1151-F1159 HydrophobicContact CE-CE2 3.45Å; M1151-F1159 VanDerWaalsContact CE-CE2 3.45Å; M1151-F1159 HydrophobicContact CE-CZ 4.23Å; M1151-F1159 HydrophobicContact SD-CE2 4.48Å; M1151-M1171 HydrophobicContact SD-CE 4.25Å; M1151-M1171 HydrophobicContact SD-SD 4.26Å
1152	P	97.3	Very high	95.3	Very high	41 Å²	41	60.3 Å²	60.3	27%	0.266	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	143.6	174.8	-21.7	31.2	0	0	0	111.4	F1108 D1112 A1154 C1155 K1156	F1108-P1152 HydrophobicContact CD2-CB 4.26Å; F1108-P1152 HydrophobicContact CD2-CG 3.79Å; F1108-P1152 HydrophobicContact CE2-CG 4.47Å; D1112-P1152 WeakPolarHBondContact OD2-CB 3.49Å; P1152-A1154 PolarHBondContact O-N 3.39Å; P1152-C1155 HydrophobicContact CB-CB 4.19Å; P1152-C1155 HydrophobicContact CG-CB 4.37Å; P1152-C1155 WeakPolarHBondContact O-CB 3.43Å; P1152-C1155 PolarHBondContact O-N 3.25Å; P1152-K1156 PolarHBondContact O-N 3.17Å; P1152-K1156 VanDerWaalsContact O-N 3.09Å
1153	Y	97.4	Very high	95.6	Very high	25 Å²	25	62.7 Å²	62.7	10%	0.098	32%	0.32	C	S	.	.	H	α-helix	trans	-61	-35.4	174.7	-171	-90.4	0	0	0	111.4	L1070 N1071 R1072 D1112 Y1114 C1155 K1156 L1157	L1070-Y1153 WeakPolarHBondContact O-CE1 3.43Å; N1071-Y1153 VanDerWaalsContact O-CD1 3.25Å; N1071-Y1153 WeakPolarHBondContact O-CD1 3.39Å; R1072-Y1153 HydrophobicContact CB-CD1 4Å; R1072-Y1153 HydrophobicContact CB-CE1 4.48Å; R1072-Y1153 HydrophobicContact CB-CG 4.15Å; R1072-Y1153 HydrophobicContact CG-CD1 3.91Å; R1072-Y1153 HydrophobicContact CG-CD2 4.44Å; R1072-Y1153 HydrophobicContact CG-CE1 3.91Å; R1072-Y1153 HydrophobicContact CG-CE2 4.44Å; R1072-Y1153 HydrophobicContact CG-CG 4.17Å; D1112-Y1153 PolarHBondContact O-N 2.98Å; D1112-Y1153 PolarHBondContact OD2-N 3.37Å; Y1114-Y1153 AromaticContact CD1-CD2 3.91Å; Y1114-Y1153 HydrophobicContact CD1-CD2 3.91Å; Y1114-Y1153 AromaticContact CD2-CD2 3.62Å; Y1114-Y1153 HydrophobicContact CD2-CD2 3.62Å; Y1114-Y1153 HydrophobicContact CD2-CE2 4.36Å; Y1114-Y1153 HydrophobicContact CE1-CD2 4.07Å; Y1114-Y1153 HydrophobicContact CE1-CE2 4.33Å; Y1114-Y1153 AromaticContact CE2-CD2 3.77Å; Y1114-Y1153 HydrophobicContact CE2-CD2 3.77Å; Y1114-Y1153 HydrophobicContact CE2-CE2 4.04Å; Y1114-Y1153 AromaticContact CG-CD2 3.68Å; Y1114-Y1153 HydrophobicContact CG-CD2 3.68Å; Y1114-Y1153 HydrophobicContact CG-CG 4.47Å; Y1114-Y1153 AromaticContact CZ-CD2 4Å; Y1153-C1155 VanDerWaalsContact C-N 3.26Å; Y1153-C1155 PolarHBondContact O-N 3.01Å; Y1153-K1156 HydrophobicContact CD2-CD 3.83Å; Y1153-K1156 HydrophobicContact CE2-CD 3.64Å; Y1153-K1156 WeakPolarHBondContact O-CB 3.48Å; Y1153-K1156 PolarHBondContact O-N 3.03Å; Y1153-K1156 PolarHBondContact OH-NZ 3.13Å; Y1153-L1157 PolarHBondContact O-N 3.41Å
1154	A	96.8	Very high	95.9	Very high	36 Å²	36	61 Å²	61	30%	0.298	33%	0.326	S	S	.	.	H	α-helix	trans	-58.4	-38.3	173.5	0	0	0	0	0	112.4	D1112 P1152 L1157 L1158	D1112-A1154 PolarHBondContact OD2-N 3.3Å; P1152-A1154 PolarHBondContact O-N 3.39Å; A1154-L1157 PolarHBondContact O-N 2.9Å; A1154-L1158 PolarHBondContact O-N 3.41Å
1155	C	96.9	Very high	96.3	Very high	39 Å²	39	60.4 Å²	60.4	26%	0.264	32%	0.315	S	S	.	.	H	α-helix	trans	-71.5	-38.2	177.2	-173.9	0	0	0	0	111.8	M1151 P1152 Y1153 L1157 L1158 F1159	M1151-C1155 HydrophobicContact CE-CB 3.65Å; M1151-C1155 WeakPolarHBondContact CE-SG 3.37Å; P1152-C1155 HydrophobicContact CB-CB 4.19Å; P1152-C1155 HydrophobicContact CG-CB 4.37Å; P1152-C1155 WeakPolarHBondContact O-CB 3.43Å; P1152-C1155 PolarHBondContact O-N 3.25Å; Y1153-C1155 VanDerWaalsContact C-N 3.26Å; Y1153-C1155 PolarHBondContact O-N 3.01Å; C1155-L1157 VanDerWaalsContact C-N 3.33Å; C1155-L1157 PolarHBondContact O-N 3.43Å; C1155-L1158 WeakPolarHBondContact O-CB 3.41Å; C1155-L1158 PolarHBondContact O-N 2.98Å; C1155-F1159 PolarHBondContact O-N 3.32Å
1156	K	97	Very high	96.6	Very high	24 Å²	24	61 Å²	61	10%	0.104	33%	0.331	C	S	.	.	H	α-helix	trans	-58	-46.8	170.6	173.3	-138.6	174.8	-121.4	0	110.7	Y1114 V1116 M1125 M1151 P1152 Y1153 L1158 F1159 Q1160	Y1114-K1156 HydrophobicContact CD1-CD 4.07Å; Y1114-K1156 HydrophobicContact CE1-CD 3.73Å; V1116-K1156 HydrophobicContact CG1-CG 4.12Å; M1125-K1156 HydrophobicContact CE-CG 4.46Å; M1125-K1156 HydrophobicContact SD-CG 3.9Å; M1151-K1156 HydrophobicContact SD-CB 4.36Å; P1152-K1156 PolarHBondContact O-N 3.17Å; P1152-K1156 VanDerWaalsContact O-N 3.09Å; Y1153-K1156 HydrophobicContact CD2-CD 3.83Å; Y1153-K1156 HydrophobicContact CE2-CD 3.64Å; Y1153-K1156 WeakPolarHBondContact O-CB 3.48Å; Y1153-K1156 PolarHBondContact O-N 3.03Å; Y1153-K1156 PolarHBondContact OH-NZ 3.13Å; K1156-L1158 PolarHBondContact O-N 3.26Å; K1156-F1159 PolarHBondContact O-N 3.5Å; K1156-Q1160 WeakPolarHBondContact O-CG 3.38Å; K1156-Q1160 PolarHBondContact O-N 3.39Å
1157	L	97.6	Very high	96.8	Very high	36 Å²	36	64.1 Å²	64.1	19%	0.188	35%	0.347	C	S	.	.	H	α-helix	trans	-61.4	-44.3	178.9	-171.1	67.8	0	0	0	111	L1070 Y1153 A1154 C1155 F1159 Q1160 E1161	L1070-L1157 HydrophobicContact CG-CD2 4.4Å; Y1153-L1157 PolarHBondContact O-N 3.41Å; A1154-L1157 PolarHBondContact O-N 2.9Å; C1155-L1157 VanDerWaalsContact C-N 3.33Å; C1155-L1157 PolarHBondContact O-N 3.43Å; L1157-F1159 VanDerWaalsContact C-N 3.28Å; L1157-F1159 PolarHBondContact O-N 2.87Å; L1157-Q1160 WeakPolarHBondContact O-CA 3.48Å; L1157-Q1160 WeakPolarHBondContact O-CB 3.18Å; L1157-Q1160 PolarHBondContact O-N 2.87Å; L1157-E1161 WeakPolarHBondContact O-CG 3.36Å; L1157-E1161 PolarHBondContact O-N 3.22Å
1158	L	97.6	Very high	96.8	Very high	96 Å²	96	65.1 Å²	65.1	50%	0.503	36%	0.357	S	S	.	.	H	α-helix	trans	-54.3	-44.1	173.9	177.2	64.6	0	0	0	112	A1154 C1155 K1156 Q1160 E1161 L1162	A1154-L1158 PolarHBondContact O-N 3.41Å; C1155-L1158 WeakPolarHBondContact O-CB 3.41Å; C1155-L1158 PolarHBondContact O-N 2.98Å; K1156-L1158 PolarHBondContact O-N 3.26Å; L1158-Q1160 VanDerWaalsContact C-N 3.33Å; L1158-Q1160 PolarHBondContact O-N 3.19Å; L1158-E1161 PolarHBondContact O-N 2.97Å; L1158-L1162 HydrophobicContact CD1-CG 4.48Å; L1158-L1162 HydrophobicContact CG-CD1 4.36Å; L1158-L1162 VanDerWaalsContact O-CG 3.31Å; L1158-L1162 WeakPolarHBondContact O-CG 2.99Å; L1158-L1162 PolarHBondContact O-N 3.21Å
1159	F	97.4	Very high	96.8	Very high	39 Å²	39	61.7 Å²	61.7	17%	0.171	34%	0.34	C	S	.	.	H	α-helix	trans	-65.1	-36	176.6	-69.7	-9.9	0	0	0	112.9	M1125 M1151 C1155 K1156 L1157 L1162 M1163 P1169 M1171	M1125-F1159 HydrophobicContact CE-CB 4.23Å; M1151-F1159 HydrophobicContact CE-CD2 3.67Å; M1151-F1159 HydrophobicContact CE-CE2 3.45Å; M1151-F1159 VanDerWaalsContact CE-CE2 3.45Å; M1151-F1159 HydrophobicContact CE-CZ 4.23Å; M1151-F1159 HydrophobicContact SD-CE2 4.48Å; C1155-F1159 PolarHBondContact O-N 3.32Å; K1156-F1159 PolarHBondContact O-N 3.5Å; L1157-F1159 VanDerWaalsContact C-N 3.28Å; L1157-F1159 PolarHBondContact O-N 2.87Å; F1159-L1162 HydrophobicContact CD1-CD1 4.22Å; F1159-L1162 PolarHBondContact O-N 3.06Å; F1159-M1163 WeakPolarHBondContact O-CB 3.37Å; F1159-M1163 WeakPolarHBondContact O-CG 3.17Å; F1159-M1163 PolarHBondContact O-N 3.18Å; F1159-P1169 HydrophobicContact CB-CG 3.77Å; F1159-P1169 HydrophobicContact CD1-CB 3.7Å; F1159-P1169 HydrophobicContact CD1-CG 3.76Å; F1159-P1169 HydrophobicContact CE1-CB 3.96Å; F1159-P1169 HydrophobicContact CE1-CG 4.5Å; F1159-P1169 HydrophobicContact CG-CB 4.12Å; F1159-P1169 HydrophobicContact CG-CG 3.79Å; F1159-M1171 HydrophobicContact CD2-SD 4.1Å; F1159-M1171 HydrophobicContact CE2-CG 4.39Å; F1159-M1171 HydrophobicContact CE2-SD 3.74Å
1160	Q	96.9	Very high	96.7	Very high	79 Å²	79	67 Å²	67	37%	0.369	36%	0.356	S	S	.	.	H	α-helix	trans	-66.5	-40.7	174.3	-64.5	-175.6	-66.8	0	0	111.9	M1125 K1156 L1157 L1158 M1163 S1164	M1125-Q1160 HydrophobicContact CE-CG 3.87Å; K1156-Q1160 WeakPolarHBondContact O-CG 3.38Å; K1156-Q1160 PolarHBondContact O-N 3.39Å; L1157-Q1160 WeakPolarHBondContact O-CA 3.48Å; L1157-Q1160 WeakPolarHBondContact O-CB 3.18Å; L1157-Q1160 PolarHBondContact O-N 2.87Å; L1158-Q1160 VanDerWaalsContact C-N 3.33Å; L1158-Q1160 PolarHBondContact O-N 3.19Å; Q1160-M1163 PolarHBondContact O-N 3.45Å; Q1160-S1164 PolarHBondContact O-N 2.86Å
1161	E	97.6	Very high	96.5	Very high	105 Å²	105	62.5 Å²	62.5	49%	0.491	34%	0.341	S	S	.	.	H	α-helix	trans	-64.3	-42.2	175.1	-66.9	-60.3	159	0	0	111.7	L1157 L1158 M1163 S1164 M1165	L1157-E1161 WeakPolarHBondContact O-CG 3.36Å; L1157-E1161 PolarHBondContact O-N 3.22Å; L1158-E1161 PolarHBondContact O-N 2.97Å; E1161-M1163 PolarHBondContact O-N 3.06Å; E1161-S1164 WeakPolarHBondContact O-CB 3.28Å; E1161-S1164 PolarHBondContact O-N 2.74Å; E1161-M1165 PolarHBondContact O-N 3.42Å; E1161-M1165 VanDerWaalsContact O-N 3.09Å
1162	L	97.7	Very high	96.4	Very high	39 Å²	39	66.8 Å²	66.8	20%	0.204	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-44.3	173.1	-71.1	175	0	0	0	111.7	L1158 F1159 S1164 M1165 S1166 I1167 P1169	L1158-L1162 HydrophobicContact CD1-CG 4.48Å; L1158-L1162 HydrophobicContact CG-CD1 4.36Å; L1158-L1162 VanDerWaalsContact O-CG 3.31Å; L1158-L1162 WeakPolarHBondContact O-CG 2.99Å; L1158-L1162 PolarHBondContact O-N 3.21Å; F1159-L1162 HydrophobicContact CD1-CD1 4.22Å; F1159-L1162 PolarHBondContact O-N 3.06Å; L1162-S1164 VanDerWaalsContact C-N 3.3Å; L1162-S1164 PolarHBondContact O-N 3.34Å; L1162-M1165 HydrophobicContact CD2-CE 3.73Å; L1162-M1165 CarbonylContact O-C 3.57Å; L1162-M1165 WeakPolarHBondContact O-CA 3.41Å; L1162-M1165 WeakPolarHBondContact O-CB 3.47Å; L1162-M1165 PolarHBondContact O-N 2.83Å; L1162-S1166 PolarHBondContact O-N 2.86Å; L1162-I1167 CarbonylContact C-O 3.38Å; L1162-I1167 VanDerWaalsContact C-O 3.23Å; L1162-I1167 HydrophobicContact CB-CB 4.23Å; L1162-I1167 HydrophobicContact CB-CG2 4.43Å; L1162-I1167 HydrophobicContact CD2-CD1 4.11Å; L1162-I1167 HydrophobicContact CD2-CG2 4.46Å; L1162-I1167 WeakPolarHBondContact O-CB 3.45Å; L1162-I1167 PolarHBondContact O-N 3.39Å; L1162-I1167 VanDerWaalsContact O-O 3.11Å; L1162-P1169 HydrophobicContact CB-CG 4.14Å; L1162-P1169 HydrophobicContact CD1-CB 4.07Å; L1162-P1169 HydrophobicContact CD1-CG 4.15Å
1163	M	96.3	Very high	95.6	Very high	63 Å²	63	67.3 Å²	67.3	31%	0.31	37%	0.367	S	S	.	.	H	α-helix	trans	-62.6	-36.5	175.6	-72	173.6	-171.2	0	0	112.1	I1124 M1125 F1159 Q1160 E1161 M1165 S1166 I1167 P1169	I1124-M1163 HydrophobicContact CB-CE 4.47Å; I1124-M1163 HydrophobicContact CG1-CE 4.37Å; I1124-M1163 HydrophobicContact CG2-CE 3.8Å; I1124-M1163 HydrophobicContact CG2-SD 4.46Å; M1125-M1163 HydrophobicContact CE-CE 4.21Å; M1125-M1163 HydrophobicContact CE-SD 4.39Å; F1159-M1163 WeakPolarHBondContact O-CB 3.37Å; F1159-M1163 WeakPolarHBondContact O-CG 3.17Å; F1159-M1163 PolarHBondContact O-N 3.18Å; Q1160-M1163 PolarHBondContact O-N 3.45Å; E1161-M1163 PolarHBondContact O-N 3.06Å; M1163-M1165 PolarHBondContact O-N 3.17Å; M1163-S1166 WeakPolarHBondContact O-CA 3.2Å; M1163-S1166 PolarHBondContact O-N 2.89Å; M1163-I1167 VanDerWaalsContact CA-O 3.28Å; M1163-I1167 WeakPolarHBondContact CA-O 3.23Å; M1163-I1167 PolarHBondContact N-O 3.48Å; M1163-P1169 HydrophobicContact CE-CG 4.08Å; M1163-P1169 HydrophobicContact CG-CG 4.47Å
1164	S	97.8	Very high	93.8	Very high	101 Å²	101	74.3 Å²	74.3	71%	0.706	41%	0.412	S	S	*	.	H	α-helix	trans	-62.8	-31.8	173.1	-169.7	0	0	0	0	112.2	Q1160 E1161 L1162 S1166	Q1160-S1164 PolarHBondContact O-N 2.86Å; E1161-S1164 WeakPolarHBondContact O-CB 3.28Å; E1161-S1164 PolarHBondContact O-N 2.74Å; L1162-S1164 VanDerWaalsContact C-N 3.3Å; L1162-S1164 PolarHBondContact O-N 3.34Å; S1164-S1166 PolarHBondContact O-N 2.92Å
1165	M	97.3	Very high	93.7	Very high	115 Å²	115	76.2 Å²	76.2	57%	0.567	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	12.8	171.7	-63.9	-172.7	-68.5	0	0	113.2	E1161 L1162 M1163 I1167	E1161-M1165 PolarHBondContact O-N 3.42Å; E1161-M1165 VanDerWaalsContact O-N 3.09Å; L1162-M1165 HydrophobicContact CD2-CE 3.73Å; L1162-M1165 CarbonylContact O-C 3.57Å; L1162-M1165 WeakPolarHBondContact O-CA 3.41Å; L1162-M1165 WeakPolarHBondContact O-CB 3.47Å; L1162-M1165 PolarHBondContact O-N 2.83Å; M1163-M1165 PolarHBondContact O-N 3.17Å; M1165-I1167 PolarHBondContact O-N 3.32Å
1166	S	96.8	Very high	93.5	Very high	116 Å²	116	78.2 Å²	78.2	81%	0.811	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	13.1	-176.1	70.9	0	0	0	0	115.8	L1162 M1163 S1164	L1162-S1166 PolarHBondContact O-N 2.86Å; M1163-S1166 WeakPolarHBondContact O-CA 3.2Å; M1163-S1166 PolarHBondContact O-N 2.89Å; S1164-S1166 PolarHBondContact O-N 2.92Å
1167	I	97.3	Very high	93.3	Very high	91 Å²	91	81.2 Å²	81.2	47%	0.467	44%	0.443	S	S	.	.			trans	-85.6	128.4	171.8	-60.4	172.4	0	0	0	107.8	L1162 M1163 M1165 P1169	L1162-I1167 CarbonylContact C-O 3.38Å; L1162-I1167 VanDerWaalsContact C-O 3.23Å; L1162-I1167 HydrophobicContact CB-CB 4.23Å; L1162-I1167 HydrophobicContact CB-CG2 4.43Å; L1162-I1167 HydrophobicContact CD2-CD1 4.11Å; L1162-I1167 HydrophobicContact CD2-CG2 4.46Å; L1162-I1167 WeakPolarHBondContact O-CB 3.45Å; L1162-I1167 PolarHBondContact O-N 3.39Å; L1162-I1167 VanDerWaalsContact O-O 3.11Å; M1163-I1167 VanDerWaalsContact CA-O 3.28Å; M1163-I1167 WeakPolarHBondContact CA-O 3.23Å; M1163-I1167 PolarHBondContact N-O 3.48Å; M1165-I1167 PolarHBondContact O-N 3.32Å; I1167-P1169 WeakPolarHBondContact O-CD 3.21Å
1168	A	95.3	Very high	93.1	Very high	51 Å²	51	83.8 Å²	83.8	42%	0.421	46%	0.458	S	S	.	.			trans	-99.2	93.2	178.6	0	0	0	0	0	111	R1170	A1168-R1170 PolarHBondContact O-N 3.35Å; A1168-R1170 VanDerWaalsContact O-N 3.08Å
1169	P	94.9	Very high	92.8	Very high	20 Å²	20	83.1 Å²	83.1	13%	0.13	46%	0.456	C	S	.	.			trans	-73.4	100	174.6	30.5	-34.9	0	0	0	109.7	F1159 L1162 M1163 I1167	F1159-P1169 HydrophobicContact CB-CG 3.77Å; F1159-P1169 HydrophobicContact CD1-CB 3.7Å; F1159-P1169 HydrophobicContact CD1-CG 3.76Å; F1159-P1169 HydrophobicContact CE1-CB 3.96Å; F1159-P1169 HydrophobicContact CE1-CG 4.5Å; F1159-P1169 HydrophobicContact CG-CB 4.12Å; F1159-P1169 HydrophobicContact CG-CG 3.79Å; L1162-P1169 HydrophobicContact CB-CG 4.14Å; L1162-P1169 HydrophobicContact CD1-CB 4.07Å; L1162-P1169 HydrophobicContact CD1-CG 4.15Å; M1163-P1169 HydrophobicContact CE-CG 4.08Å; M1163-P1169 HydrophobicContact CG-CG 4.47Å; I1167-P1169 WeakPolarHBondContact O-CD 3.21Å
1170	R	93.6	Very high	92.5	Very high	147 Å²	147	86 Å²	86	56%	0.555	48%	0.475	S	S	*	.			trans	-88.2	116.2	-178.2	-58.1	-178.1	178.9	-106.8	7.9	110.3	C1122 A1168 M1172	C1122-R1170 WeakPolarHBondContact O-CB 3.49Å; C1122-R1170 WeakPolarHBondContact O-CD 3.43Å; C1122-R1170 WeakPolarHBondContact O-CG 3.35Å; C1122-R1170 PolarHBondContact O-NH1 3.22Å; A1168-R1170 PolarHBondContact O-N 3.35Å; A1168-R1170 VanDerWaalsContact O-N 3.08Å; R1170-M1172 HydrophobicContact CB-CE 4.19Å
1171	M	92.7	Very high	92.1	Very high	35 Å²	35	86.5 Å²	86.5	17%	0.172	48%	0.482	C	S	.	.			trans	-102.9	101.1	176.6	45	178.9	-51.1	0	0	110	V1118 G1123 V1149 M1151 F1159	V1118-M1171 HydrophobicContact CG1-CG 3.88Å; V1118-M1171 WeakPolarHBondContact CG1-O 3.46Å; V1118-M1171 HydrophobicContact CG1-SD 4.44Å; V1118-M1171 HydrophobicContact CG2-CE 3.65Å; V1118-M1171 HydrophobicContact CG2-CG 4.14Å; V1118-M1171 HydrophobicContact CG2-SD 3.59Å; V1118-M1171 VanDerWaalsContact CG2-SD 3.59Å; G1123-M1171 WeakPolarHBondContact CA-O 3.3Å; G1123-M1171 WeakPolarHBondContact O-CG 3.35Å; G1123-M1171 PolarHBondContact O-N 3.26Å; V1149-M1171 HydrophobicContact CB-CE 3.7Å; V1149-M1171 HydrophobicContact CG1-CE 3.51Å; V1149-M1171 HydrophobicContact CG2-CE 3.86Å; M1151-M1171 HydrophobicContact SD-CE 4.25Å; M1151-M1171 HydrophobicContact SD-SD 4.26Å; F1159-M1171 HydrophobicContact CD2-SD 4.1Å; F1159-M1171 HydrophobicContact CE2-CG 4.39Å; F1159-M1171 HydrophobicContact CE2-SD 3.74Å
1172	M	91.7	Very high	91.7	Very high	105 Å²	105	85.1 Å²	85.1	52%	0.517	48%	0.482	S	S	.	.			trans	-87.1	127.7	180	-56.8	-52.8	-167.2	0	0	110.2	R1170	R1170-M1172 HydrophobicContact CB-CE 4.19Å
1173	S	80.4	Confident	91.2	Very high	51 Å²	51	88.9 Å²	88.9	36%	0.357	51%	0.505	S	S	.	.			trans	-98.9	-12.6	175.4	52.7	0	0	0	0	113.2	N1120 S1147	N1120-S1173 PolarHBondContact OD1-OG 3.38Å; S1147-S1173 VanDerWaalsContact CB-OG 3.25Å; S1147-S1173 WeakPolarHBondContact CB-OG 3.45Å; S1147-S1173 PolarHBondContact OG-OG 2.94Å; S1147-S1173 VanDerWaalsContact OG-OG 3.06Å
1174	V	60.8	Low	90.8	Very high	172 Å²	172	91.3 Å²	91.3	100%	1.042	52%	0.522	S	S	*	.			trans	-153	0	161.2	-177.1	0	0	0	0	107.2

Retrieved 1,174 of 1,174 residues in 1102.9 ms (Link to these results)

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