A0A087YEX3_POEFO Loading...

DNA-directed RNA polymerase subunit beta

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

AlphaFold DB , UniProt , Accession A0A087YEX3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,132 aa.

						>A0A087YEX3_POEFO|A0A087YEX3
MELLGGEFGDMTPQELAAPVNTVAEKWKLLPAFLKVKGLVKQHIDSFNYFINVEIKKIMKANEKITSDADPMWYLKYLNIYVGMPDVEESFNVTRPVSPHECRLRDMTYSAPITVDIEYTRGSQRIIRNALPIGRMPIMLRSSNCVLTGKTPMEFSKLNECPLDPGGYFIVKGQEKVILIQEQLSKNRIIVEQDRKGAVGASVTSSTHEKKSRTNMIVKQGRFYLRHNTLSEDAPIAIIFKGMGVESDQEIVQMIGTEEHVMASFAPSLEECQKAQIFTQTQALRFLGNKVRRQRMWGGPKKTKMEEARELLASLILTHVPVKEFNFRAKCIYLAVMVRRVILAQGDNKVDDRDYYGNKRLELAGQLLSLLFEDLFKKFNAELKKIADQIIPKQRAAQFDVVKHMRQDQITNGMVNAISTGNWSLKRFKMDRQGVTQVLSRLSYISALGMMTRISSQFEKTRKVSGPRSLQPSQWGMLCPSDTPEGEACGLVKNLALMTHITTDMEDGPIIKLAFNLGVEDVNLLCGEELSYPSVFLVFLNGNILGVIRDHRKLVNTFRLMRRAGFINEFVSISTNMTDRCVYVSSDGGRLCRPYIIVKKGQPMVNNKHIEDLSQGYRTFEDFLHEGLVEYLDVNEENDCQISLYEHMISKETTHLEIEPFTLLGVCAGLIPYPHHNQSPRNTYQCAMGKQAMGTIGYNQRNRIDTLMYLLAYPQRPMVKTKTIELIDFEKLPAGQNATVAVMSYSGYDIEDALVLNKASLDRGFGRCLVYKNTKCILRRYTNQTFDKVMGPMLDAATRKPIWKHNILDADGICSPGEKVENKQVLVNKSMPTVTQTPLEGSAQPGQPQYRDVPISYKGSTDSYIEKVMISSNAEDAFLIKILLRQTRRPEIGDKFSSRHGQKGVCGLIVPQEDMPFCDTGICPDIIMNPHGYPSRMTVGKLIELLAGKAGVLDGRFHYGTAFGGSKVKDVCEDLIRYGYNYQGKDYVTSGITGEPLEAYIYFGPVYYQKLKHMVLDKMHARARGPRAVLTRQPTEGRSRDGGLRLGEMERDCLIGYGASMLLLERLMISSDAFEVDVCGQCGLLGYSGWCHYCKSSCHVSSLRIPYACKLLFQELQSMNIIPRLKLSRYNE
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.9	Very low	34.7	Very low	248 Å²	248	142.5 Å²	142.5	100%	1.222	81%	0.811	S	S	*	*				0	-0.9	0	-84.5	-172.2	-163.2	0	0	113.3
2	E	25.1	Very low	35.6	Very low	191 Å²	191	136.2 Å²	136.2	89%	0.893	78%	0.777	S	S	*	*			trans	-111	11.1	-171.4	-79.3	178.4	150.8	0	0	116.6
3	L	28.8	Very low	36.7	Very low	172 Å²	172	134.3 Å²	134.3	90%	0.901	77%	0.773	S	S	*	*	S	Bend	trans	-110.3	14	-175.2	-85.1	158	0	0	0	115.8
4	L	31.5	Very low	37.2	Very low	179 Å²	179	136.6 Å²	136.6	94%	0.937	77%	0.774	S	S	*	*	S	Bend	trans	-139.3	28.3	176.9	-72.9	171.6	0	0	0	113.4
5	G	29.9	Very low	37.8	Very low	78 Å²	78	134.9 Å²	134.9	80%	0.804	76%	0.757	S	S	*	*			trans	-99.9	24.1	-171.5	0	0	0	0	0	116.5
6	G	31.3	Very low	38.3	Very low	72 Å²	72	132.1 Å²	132.1	74%	0.742	74%	0.739	S	S	*	*	S	Bend	trans	-92.1	-19.5	-163.5	0	0	0	0	0	119.3
7	E	39.4	Very low	38.9	Very low	169 Å²	169	129.4 Å²	129.4	79%	0.79	74%	0.737	S	S	*	*	S	Bend	trans	-132.8	4.7	-163.8	-74.1	-172.4	162.1	0	0	117.2
8	F	41.2	Very low	39.5	Very low	142 Å²	142	125.1 Å²	125.1	62%	0.623	72%	0.72	S	S	*	*			trans	-131.2	26.7	-170.4	-62	-78.6	0	0	0	115.1
9	G	37.7	Very low	40.4	Very low	71 Å²	71	124.8 Å²	124.8	73%	0.732	72%	0.723	S	S	*	*	S	Bend	trans	-85.1	-31.3	-177.7	0	0	0	0	0	115.5
10	D	40.1	Very low	41.3	Very low	161 Å²	161	121.1 Å²	121.1	86%	0.861	70%	0.702	S	S	*	*			trans	-126.2	72.7	-164.3	-66.1	-33.1	0	0	0	112
11	M	44.8	Very low	42	Very low	85 Å²	85	122.2 Å²	122.2	42%	0.419	71%	0.706	S	S	.	*			trans	-105.1	125.2	165.7	-67.1	-165.9	-36.6	0	0	110.2	E15 L16	M11-E15 WeakPolarHBondContact CA-OE2 3.28Å; M11-L16 HydrophobicContact CE-CD2 3.94Å; M11-L16 HydrophobicContact CE-CG 4.28Å
12	T	45.6	Very low	43.8	Very low	66 Å²	66	114.9 Å²	114.9	41%	0.405	68%	0.675	S	S	.	*			trans	-72.2	156.1	-179.5	60.8	0	0	0	0	111.8	Q14 E15 L16	T12-Q14 PolarHBondContact O-N 3.37Å; T12-Q14 VanDerWaalsContact O-N 3.1Å; T12-E15 PolarHBondContact N-OE2 3.35Å; T12-E15 PolarHBondContact O-N 2.85Å; T12-E15 VanDerWaalsContact O-N 3.08Å; T12-E15 VanDerWaalsContact OG1-CD 3.3Å; T12-E15 WeakPolarHBondContact OG1-CG 3.38Å; T12-E15 PolarHBondContact OG1-N 3.26Å; T12-E15 PolarHBondContact OG1-OE2 2.98Å; T12-L16 PolarHBondContact O-N 3.4Å
13	P	50.3	Low	45.9	Very low	112 Å²	112	106.8 Å²	106.8	73%	0.727	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-24.4	174.8	-24.7	33.8	0	0	0	114.1	A17	P13-A17 PolarHBondContact O-N 3.39Å
14	Q	42.9	Very low	47.6	Very low	167 Å²	167	101.4 Å²	101.4	78%	0.78	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-36.6	176.6	-72.9	175.1	-14.2	0	0	112.3	T12 L16 A17 A18	T12-Q14 PolarHBondContact O-N 3.37Å; T12-Q14 VanDerWaalsContact O-N 3.1Å; Q14-L16 VanDerWaalsContact C-N 3.33Å; Q14-A17 PolarHBondContact O-N 2.97Å; Q14-A18 PolarHBondContact O-N 3.19Å
15	E	46.2	Very low	49.7	Very low	110 Å²	110	97.6 Å²	97.6	51%	0.514	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.9	-30.6	174.2	-72.4	163.3	150.7	0	0	112.5	M11 T12 A17 A18	M11-E15 WeakPolarHBondContact CA-OE2 3.28Å; T12-E15 PolarHBondContact N-OE2 3.35Å; T12-E15 PolarHBondContact O-N 2.85Å; T12-E15 VanDerWaalsContact O-N 3.08Å; T12-E15 VanDerWaalsContact OG1-CD 3.3Å; T12-E15 WeakPolarHBondContact OG1-CG 3.38Å; T12-E15 PolarHBondContact OG1-N 3.26Å; T12-E15 PolarHBondContact OG1-OE2 2.98Å; E15-A17 VanDerWaalsContact C-N 3.26Å; E15-A17 PolarHBondContact O-N 2.96Å; E15-A18 PolarHBondContact O-N 3.21Å
16	L	46.7	Very low	52.4	Low	91 Å²	91	94.4 Å²	94.4	48%	0.476	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.5	-19.7	171.9	-78.9	157.6	0	0	0	113.6	M11 T12 Q14	M11-L16 HydrophobicContact CE-CD2 3.94Å; M11-L16 HydrophobicContact CE-CG 4.28Å; T12-L16 PolarHBondContact O-N 3.4Å; Q14-L16 VanDerWaalsContact C-N 3.33Å
17	A	48.1	Very low	55.1	Low	86 Å²	86	93.7 Å²	93.7	71%	0.711	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-10.4	177.7	0	0	0	0	0	113.1	P13 Q14 E15	P13-A17 PolarHBondContact O-N 3.39Å; Q14-A17 PolarHBondContact O-N 2.97Å; E15-A17 VanDerWaalsContact C-N 3.26Å; E15-A17 PolarHBondContact O-N 2.96Å
18	A	49.8	Very low	57.5	Low	52 Å²	52	88.4 Å²	88.4	43%	0.43	51%	0.51	S	S	.	.	S	Bend	trans	-69.4	149.2	174.7	0	0	0	0	0	110.9	Q14 E15 V20	Q14-A18 PolarHBondContact O-N 3.19Å; E15-A18 PolarHBondContact O-N 3.21Å; A18-V20 PolarHBondContact O-N 3.29Å
19	P	56.6	Low	59.9	Low	120 Å²	120	81.7 Å²	81.7	78%	0.779	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-59.8	132.8	174.6	25.4	-33	0	0	0	110	N21	P19-N21 PolarHBondContact O-N 3.08Å
20	V	58.7	Low	62.5	Low	49 Å²	49	78.3 Å²	78.3	30%	0.297	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-57.9	126.9	177.8	-177.9	0	0	0	0	109.3	A18 T22	A18-V20 PolarHBondContact O-N 3.29Å; V20-T22 PolarHBondContact O-N 2.91Å
21	N	56.3	Low	64.9	Low	145 Å²	145	72.9 Å²	72.9	78%	0.775	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-55.1	126.1	176	-75.6	-22.2	0	0	0	110.1	P19	P19-N21 PolarHBondContact O-N 3.08Å
22	T	68.9	Low	67	Low	95 Å²	95	69.6 Å²	69.6	58%	0.583	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-77.1	133.5	-179.9	48	0	0	0	0	110.5	V20 A24	V20-T22 PolarHBondContact O-N 2.91Å; T22-A24 PolarHBondContact O-N 2.9Å
23	V	68.4	Low	69.3	Low	21 Å²	21	66.5 Å²	66.5	13%	0.127	39%	0.386	C	S	.	.			trans	-75.4	109.1	171.4	-177.1	0	0	0	0	107.8	E25 K26 P603 V605 N607 I610	V23-E25 PolarHBondContact O-N 2.81Å; V23-K26 HydrophobicContact CG1-CB 4.48Å; V23-P603 HydrophobicContact CG2-CG 4.17Å; V23-V605 HydrophobicContact CG1-CG1 4.41Å; V23-V605 VanDerWaalsContact CG2-O 3.24Å; V23-V605 WeakPolarHBondContact CG2-O 3.41Å; V23-N607 VanDerWaalsContact CA-OD1 3.28Å; V23-N607 WeakPolarHBondContact CA-OD1 3.48Å; V23-I610 HydrophobicContact CG1-CG1 3.95Å
24	A	65.9	Low	71.2	Confident	59 Å²	59	62.3 Å²	62.3	49%	0.488	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	130.8	178.1	0	0	0	0	0	109.4	T22 K26 N607	T22-A24 PolarHBondContact O-N 2.9Å; A24-K26 PolarHBondContact O-N 2.91Å; A24-N607 PolarHBondContact N-OD1 3.43Å
25	E	74.6	Confident	73.2	Confident	98 Å²	98	63.1 Å²	63.1	46%	0.458	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	32.4	171.1	-51.3	-169.5	121.9	0	0	117.7	V23 W27 K28 I610	V23-E25 PolarHBondContact O-N 2.81Å; E25-W27 PolarHBondContact O-N 2.65Å; E25-K28 HydrophobicContact CB-CD 4.07Å; E25-K28 HydrophobicContact CB-CG 4.32Å; E25-K28 WeakPolarHBondContact O-CB 3.42Å; E25-K28 PolarHBondContact O-N 3.1Å; E25-K28 WeakPolarHBondContact OE2-CE 3.27Å; E25-K28 IonicContact OE2-NZ 3.44Å; E25-K28 PolarHBondContact OE2-NZ 2.87Å; E25-I610 HydrophobicContact CB-CG2 4.42Å
26	K	86.8	Confident	74.9	Confident	12 Å²	12	60 Å²	60	5%	0.052	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-50	-27.9	173.9	70	175.9	174.9	179.7	0	114.8	V23 A24 K28 L29 E646 E657 I658 E659	V23-K26 HydrophobicContact CG1-CB 4.48Å; A24-K26 PolarHBondContact O-N 2.91Å; K26-K28 PolarHBondContact O-N 2.96Å; K26-L29 WeakPolarHBondContact O-CB 3.3Å; K26-L29 PolarHBondContact O-N 3.03Å; K26-L29 VanDerWaalsContact O-N 3.07Å; K26-E646 WeakPolarHBondContact CD-OE1 3.36Å; K26-E646 VanDerWaalsContact CE-OE1 3.25Å; K26-E646 WeakPolarHBondContact CE-OE1 3.45Å; K26-E646 IonicContact NZ-OE1 3.24Å; K26-E646 PolarHBondContact NZ-OE1 3.26Å; K26-E646 IonicContact NZ-OE2 3.37Å; K26-E657 PolarHBondContact NZ-O 2.72Å; K26-I658 WeakPolarHBondContact CD-O 3.28Å; K26-I658 WeakPolarHBondContact CE-O 3.44Å; K26-I658 WeakPolarHBondContact CG-O 3.16Å; K26-E659 WeakPolarHBondContact CG-OE1 3.48Å
27	W	88.2	Confident	76.5	Confident	56 Å²	56	57.7 Å²	57.7	21%	0.212	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-54.8	-21.5	175.4	76.8	-87.6	0	0	0	114.5	E25 L29 L30 P31 E659 K722	E25-W27 PolarHBondContact O-N 2.65Å; W27-L29 PolarHBondContact O-N 3.2Å; W27-L30 WeakPolarHBondContact O-CB 3.37Å; W27-L30 PolarHBondContact O-N 2.83Å; W27-P31 HydrophobicContact CE3-CG 4.4Å; W27-P31 HydrophobicContact CZ3-CG 4.1Å; W27-P31 WeakPolarHBondContact O-CD 3.18Å; W27-E659 HydrophobicContact CB-CG 3.55Å; W27-E659 VanDerWaalsContact CB-OE1 3.25Å; W27-E659 WeakPolarHBondContact CB-OE1 3.32Å; W27-E659 PolarHBondContact N-OE1 3.4Å; W27-K722 VanDerWaalsContact CD1-NZ 3.34Å; W27-K722 HydrophobicContact CD2-CD 4.21Å; W27-K722 HydrophobicContact CE3-CD 4.13Å; W27-K722 HydrophobicContact CZ3-CD 4.47Å
28	K	89.3	Confident	78	Confident	59 Å²	59	54.6 Å²	54.6	26%	0.257	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-61.8	-21.1	175.6	-75.2	178.1	167.1	174	0	113.5	E25 K26 L30 P31 A32 I610 L613	E25-K28 HydrophobicContact CB-CD 4.07Å; E25-K28 HydrophobicContact CB-CG 4.32Å; E25-K28 WeakPolarHBondContact O-CB 3.42Å; E25-K28 PolarHBondContact O-N 3.1Å; E25-K28 WeakPolarHBondContact OE2-CE 3.27Å; E25-K28 IonicContact OE2-NZ 3.44Å; E25-K28 PolarHBondContact OE2-NZ 2.87Å; K26-K28 PolarHBondContact O-N 2.96Å; K28-L30 PolarHBondContact O-N 3.42Å; K28-P31 VanDerWaalsContact O-CD 3.31Å; K28-P31 WeakPolarHBondContact O-CD 3.47Å; K28-A32 PolarHBondContact O-N 3.14Å; K28-I610 HydrophobicContact CB-CG2 4.46Å; K28-I610 HydrophobicContact CD-CG2 3.92Å; K28-L613 HydrophobicContact CB-CD2 4.45Å
29	L	91.4	Very high	79.5	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-28.5	172.1	-70.9	170.5	0	0	0	112.6	K26 W27 A32 F33 I596 I610 L613 F620 F623 I658	K26-L29 WeakPolarHBondContact O-CB 3.3Å; K26-L29 PolarHBondContact O-N 3.03Å; K26-L29 VanDerWaalsContact O-N 3.07Å; W27-L29 PolarHBondContact O-N 3.2Å; L29-A32 WeakPolarHBondContact O-CB 3.25Å; L29-A32 PolarHBondContact O-N 2.91Å; L29-F33 WeakPolarHBondContact O-CB 3.28Å; L29-F33 PolarHBondContact O-N 3.26Å; L29-I596 HydrophobicContact CD1-CD1 4.12Å; L29-I596 HydrophobicContact CD1-CG1 4.38Å; L29-I610 HydrophobicContact CD1-CD1 4.47Å; L29-I610 HydrophobicContact CG-CD1 4.18Å; L29-L613 HydrophobicContact CD2-CD2 3.81Å; L29-L613 HydrophobicContact CG-CD2 4.41Å; L29-F620 HydrophobicContact CB-CE2 4.49Å; L29-F620 HydrophobicContact CD2-CD2 4.38Å; L29-F623 HydrophobicContact CD2-CD1 4.05Å; L29-F623 HydrophobicContact CD2-CD2 4.39Å; L29-F623 HydrophobicContact CD2-CE1 3.89Å; L29-F623 HydrophobicContact CD2-CE2 4.27Å; L29-F623 HydrophobicContact CD2-CG 4.31Å; L29-F623 HydrophobicContact CD2-CZ 4.01Å; L29-I658 HydrophobicContact CB-CG2 4Å; L29-I658 HydrophobicContact CD1-CG2 4.27Å
30	L	91.9	Very high	81.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-69.2	-51	-178.9	175.2	66.9	0	0	0	113	W27 K28 A32 F33 L34 L497 M498 F661 T662 L726	W27-L30 WeakPolarHBondContact O-CB 3.37Å; W27-L30 PolarHBondContact O-N 2.83Å; K28-L30 PolarHBondContact O-N 3.42Å; L30-A32 PolarHBondContact O-N 2.81Å; L30-F33 WeakPolarHBondContact O-CB 3.46Å; L30-F33 PolarHBondContact O-N 3.41Å; L30-L34 HydrophobicContact CD1-CD1 4.31Å; L30-L34 HydrophobicContact CD1-CG 4.25Å; L30-L34 HydrophobicContact CG-CD1 4.36Å; L30-L34 WeakPolarHBondContact O-CG 3.09Å; L30-L34 PolarHBondContact O-N 2.84Å; L30-L497 HydrophobicContact CD1-CD2 4.11Å; L30-L497 HydrophobicContact CD2-CD2 3.89Å; L30-L497 HydrophobicContact CG-CD2 4.43Å; L30-M498 HydrophobicContact CD1-CB 4.27Å; L30-M498 HydrophobicContact CD1-CE 4.5Å; L30-M498 HydrophobicContact CD1-CG 4.18Å; L30-M498 HydrophobicContact CD1-SD 4.12Å; L30-F661 HydrophobicContact CD2-CE2 3.61Å; L30-F661 HydrophobicContact CD2-CZ 3.47Å; L30-F661 VanDerWaalsContact CD2-CZ 3.47Å; L30-T662 HydrophobicContact CD1-CG2 3.94Å; L30-T662 HydrophobicContact CD2-CG2 3.58Å; L30-T662 HydrophobicContact CG-CG2 4.36Å; L30-L726 HydrophobicContact CD2-CD1 3.31Å; L30-L726 HydrophobicContact CG-CD1 3.82Å
31	P	90.9	Very high	82.3	Confident	47 Å²	47	49.3 Å²	49.3	31%	0.305	26%	0.263	S	S	.	.	H	α-helix	trans	-52.9	-40.1	169.1	-19.3	19.7	0	0	0	113.2	W27 K28 L34 K35 L726	W27-P31 HydrophobicContact CE3-CG 4.4Å; W27-P31 HydrophobicContact CZ3-CG 4.1Å; W27-P31 WeakPolarHBondContact O-CD 3.18Å; K28-P31 VanDerWaalsContact O-CD 3.31Å; K28-P31 WeakPolarHBondContact O-CD 3.47Å; P31-L34 PolarHBondContact O-N 2.7Å; P31-K35 WeakPolarHBondContact O-CB 3.41Å; P31-K35 PolarHBondContact O-N 3.3Å; P31-L726 HydrophobicContact CB-CD2 4.12Å; P31-L726 HydrophobicContact CG-CD2 3.77Å
32	A	90.3	Very high	84	Confident	16 Å²	16	43.6 Å²	43.6	13%	0.132	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-45.8	178.5	0	0	0	0	0	111.6	K28 L29 L30 L34 K35 V36 L613 F620	K28-A32 PolarHBondContact O-N 3.14Å; L29-A32 WeakPolarHBondContact O-CB 3.25Å; L29-A32 PolarHBondContact O-N 2.91Å; L30-A32 PolarHBondContact O-N 2.81Å; A32-L34 PolarHBondContact O-N 2.85Å; A32-K35 PolarHBondContact O-N 2.83Å; A32-V36 PolarHBondContact O-N 3.24Å; A32-L613 HydrophobicContact CB-CD1 3.91Å; A32-L613 HydrophobicContact CB-CD2 4.27Å; A32-F620 HydrophobicContact CB-CB 3.98Å; A32-F620 HydrophobicContact CB-CD2 4.34Å
33	F	92.1	Very high	85.1	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-58.4	-47	172.5	171.8	-98.5	0	0	0	111.7	L29 L30 K35 V36 K37 M498 P594 F620 Y631	L29-F33 WeakPolarHBondContact O-CB 3.28Å; L29-F33 PolarHBondContact O-N 3.26Å; L30-F33 WeakPolarHBondContact O-CB 3.46Å; L30-F33 PolarHBondContact O-N 3.41Å; F33-K35 VanDerWaalsContact C-N 3.3Å; F33-K35 PolarHBondContact O-N 3.2Å; F33-V36 PolarHBondContact O-N 3.29Å; F33-K37 HydrophobicContact CD2-CB 4.27Å; F33-K37 HydrophobicContact CD2-CG 4.08Å; F33-K37 HydrophobicContact CE1-CB 4.41Å; F33-K37 HydrophobicContact CE2-CB 3.84Å; F33-K37 HydrophobicContact CE2-CG 3.73Å; F33-K37 HydrophobicContact CZ-CB 3.92Å; F33-K37 HydrophobicContact CZ-CG 4.3Å; F33-K37 PolarHBondContact O-N 2.97Å; F33-M498 HydrophobicContact CB-CE 3.82Å; F33-M498 HydrophobicContact CD1-CE 4.35Å; F33-M498 HydrophobicContact CD1-CG 3.81Å; F33-M498 HydrophobicContact CD2-CE 4.45Å; F33-M498 HydrophobicContact CE1-CB 4.46Å; F33-M498 HydrophobicContact CE1-CG 3.88Å; F33-M498 HydrophobicContact CG-CE 3.96Å; F33-M498 HydrophobicContact CG-CG 4.24Å; F33-M498 HydrophobicContact CZ-CG 4.35Å; F33-P594 HydrophobicContact CD2-CG 4.33Å; F33-P594 HydrophobicContact CE2-CG 4.33Å; F33-F620 HydrophobicContact CB-CD2 3.98Å; F33-F620 HydrophobicContact CB-CE1 4.45Å; F33-F620 HydrophobicContact CB-CE2 3.9Å; F33-F620 HydrophobicContact CB-CG 4.29Å; F33-F620 HydrophobicContact CB-CZ 4.15Å; F33-F620 HydrophobicContact CD2-CD1 4.31Å; F33-F620 AromaticContact CD2-CE1 3.8Å; F33-F620 HydrophobicContact CD2-CE1 3.8Å; F33-F620 AromaticContact CD2-CZ 3.91Å; F33-F620 HydrophobicContact CD2-CZ 3.91Å; F33-F620 HydrophobicContact CG-CZ 4.47Å; F33-Y631 HydrophobicContact CE2-CE1 4.07Å
34	L	90.1	Very high	86.4	Confident	23 Å²	23	39 Å²	39	12%	0.12	20%	0.202	C	C	.	.	H	α-helix	trans	-67.8	-27.6	-179.6	-67.4	-179.5	0	0	0	113	L30 P31 A32 G38 L39 L726	L30-L34 HydrophobicContact CD1-CD1 4.31Å; L30-L34 HydrophobicContact CD1-CG 4.25Å; L30-L34 HydrophobicContact CG-CD1 4.36Å; L30-L34 WeakPolarHBondContact O-CG 3.09Å; L30-L34 PolarHBondContact O-N 2.84Å; P31-L34 PolarHBondContact O-N 2.7Å; A32-L34 PolarHBondContact O-N 2.85Å; L34-G38 WeakPolarHBondContact O-CA 3.44Å; L34-G38 PolarHBondContact O-N 3.35Å; L34-L39 HydrophobicContact CD1-CD2 4.47Å; L34-L39 HydrophobicContact CD2-CD2 3.44Å; L34-L39 VanDerWaalsContact CD2-CD2 3.44Å; L34-L39 HydrophobicContact CD2-CG 3.93Å; L34-L726 HydrophobicContact CD1-CB 3.95Å; L34-L726 HydrophobicContact CD1-CD1 4.14Å; L34-L726 HydrophobicContact CD1-CD2 4.27Å; L34-L726 HydrophobicContact CD1-CG 4.35Å
35	K	85.1	Confident	87.7	Confident	184 Å²	184	38.8 Å²	38.8	80%	0.8	19%	0.193	S	C	*	.	H	α-helix	trans	-67.6	-42.2	173.3	-166.5	177.3	-179.2	-177	0	111.4	P31 A32 F33	P31-K35 WeakPolarHBondContact O-CB 3.41Å; P31-K35 PolarHBondContact O-N 3.3Å; A32-K35 PolarHBondContact O-N 2.83Å; F33-K35 VanDerWaalsContact C-N 3.3Å; F33-K35 PolarHBondContact O-N 3.2Å
36	V	81.8	Confident	88.6	Confident	46 Å²	46	34.5 Å²	34.5	28%	0.279	17%	0.174	S	C	.	.	H	α-helix	trans	-82.7	-40.1	-177.9	179.5	0	0	0	0	112.6	A32 F33 K41 F620	A32-V36 PolarHBondContact O-N 3.24Å; F33-V36 PolarHBondContact O-N 3.29Å; V36-K41 WeakPolarHBondContact O-CE 3.25Å; V36-K41 PolarHBondContact O-NZ 3.36Å; V36-F620 HydrophobicContact CG2-CB 4.38Å
37	K	80.4	Confident	89.1	Confident	41 Å²	41	34 Å²	34	18%	0.178	17%	0.172	C	C	.	.	H	α-helix	trans	-111.2	-16.3	-173.9	-62.1	-65.6	-172.7	175.6	0	113.8	F33 K41	F33-K37 HydrophobicContact CD2-CB 4.27Å; F33-K37 HydrophobicContact CD2-CG 4.08Å; F33-K37 HydrophobicContact CE1-CB 4.41Å; F33-K37 HydrophobicContact CE2-CB 3.84Å; F33-K37 HydrophobicContact CE2-CG 3.73Å; F33-K37 HydrophobicContact CZ-CB 3.92Å; F33-K37 HydrophobicContact CZ-CG 4.3Å; F33-K37 PolarHBondContact O-N 2.97Å; K37-K41 VanDerWaalsContact C-CD 3.49Å; K37-K41 WeakPolarHBondContact O-CB 3.48Å; K37-K41 WeakPolarHBondContact O-CD 3.36Å; K37-K41 WeakPolarHBondContact O-CG 3.46Å
38	G	79.6	Confident	89.4	Confident	22 Å²	22	32.7 Å²	32.7	23%	0.227	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	179.7	178	0	0	0	0	0	114.8	L34	L34-G38 WeakPolarHBondContact O-CA 3.44Å; L34-G38 PolarHBondContact O-N 3.35Å
39	L	82.9	Confident	89.6	Confident	30 Å²	30	32.2 Å²	32.2	16%	0.157	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-16.3	178.1	-66.1	171.5	0	0	0	113.9	L34 Q42 L448 L497 V666 I727	L34-L39 HydrophobicContact CD1-CD2 4.47Å; L34-L39 HydrophobicContact CD2-CD2 3.44Å; L34-L39 VanDerWaalsContact CD2-CD2 3.44Å; L34-L39 HydrophobicContact CD2-CG 3.93Å; L39-Q42 PolarHBondContact O-NE2 3.33Å; L39-Q42 PolarHBondContact O-OE1 2.79Å; L39-Q42 VanDerWaalsContact O-OE1 3.11Å; L39-L448 HydrophobicContact CB-CD1 4.5Å; L39-L448 HydrophobicContact CD1-CD2 4.36Å; L39-L497 HydrophobicContact CD1-CD1 4.43Å; L39-L497 HydrophobicContact CD2-CD1 3.46Å; L39-L497 VanDerWaalsContact CD2-CD1 3.46Å; L39-L497 HydrophobicContact CD2-CG 4.12Å; L39-V666 HydrophobicContact CD1-CG2 4.16Å; L39-V666 HydrophobicContact CD2-CG2 4.41Å; L39-I727 HydrophobicContact CD1-CG2 3.68Å
40	V	88.9	Confident	89.8	Confident	10 Å²	10	32.2 Å²	32.2	6%	0.061	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	0.5	-173	-173.6	0	0	0	0	111.3	Q42 H43 P165 L448 M451	V40-Q42 PolarHBondContact O-N 2.93Å; V40-H43 PolarHBondContact O-N 3.13Å; V40-H43 VanDerWaalsContact O-N 3.08Å; V40-P165 HydrophobicContact CB-CB 4.49Å; V40-P165 HydrophobicContact CG2-CB 3.77Å; V40-L448 HydrophobicContact CG2-CD1 3.68Å; V40-M451 HydrophobicContact CG1-CB 3.96Å; V40-M451 HydrophobicContact CG1-CE 3.77Å; V40-M451 HydrophobicContact CG1-CG 4.15Å; V40-M451 HydrophobicContact CG2-CB 3.94Å; V40-M451 HydrophobicContact CG2-CG 4.31Å
41	K	85.2	Confident	90	Very high	69 Å²	69	32.6 Å²	32.6	30%	0.3	17%	0.168	S	C	.	.	H	α-helix	trans	-66.8	-20.4	-176.4	-62.9	-164.2	-170.4	-169.4	0	113.4	V36 K37 H43 I44 D45	V36-K41 WeakPolarHBondContact O-CE 3.25Å; V36-K41 PolarHBondContact O-NZ 3.36Å; K37-K41 VanDerWaalsContact C-CD 3.49Å; K37-K41 WeakPolarHBondContact O-CB 3.48Å; K37-K41 WeakPolarHBondContact O-CD 3.36Å; K37-K41 WeakPolarHBondContact O-CG 3.46Å; K41-H43 PolarHBondContact O-N 2.87Å; K41-H43 VanDerWaalsContact O-N 3.08Å; K41-I44 CarbonylContact O-C 3.53Å; K41-I44 PolarHBondContact O-N 3.16Å; K41-D45 WeakPolarHBondContact CB-OD2 3.21Å; K41-D45 VanDerWaalsContact O-CB 3.32Å; K41-D45 WeakPolarHBondContact O-CB 3.34Å; K41-D45 PolarHBondContact O-N 3.28Å
42	Q	90.5	Very high	90.1	Very high	25 Å²	25	34 Å²	34	12%	0.117	17%	0.173	C	C	.	.	H	α-helix	trans	-51.8	-34.5	170.4	64.9	-79	12.2	0	0	112.8	L39 V40 S46 I180 L363 L495 I501	L39-Q42 PolarHBondContact O-NE2 3.33Å; L39-Q42 PolarHBondContact O-OE1 2.79Å; L39-Q42 VanDerWaalsContact O-OE1 3.11Å; V40-Q42 PolarHBondContact O-N 2.93Å; Q42-S46 WeakPolarHBondContact O-CB 3.41Å; Q42-I180 HydrophobicContact CG-CD1 4.19Å; Q42-L363 HydrophobicContact CB-CD2 4.35Å; Q42-L495 HydrophobicContact CG-CD1 4.28Å; Q42-I501 HydrophobicContact CB-CD1 4.14Å; Q42-I501 HydrophobicContact CG-CD1 4.36Å
43	H	93.7	Very high	90.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-76.3	-43.8	172.6	-74.1	-75.5	0	0	0	112.2	V40 K41 F47 M139 I178 M451	V40-H43 PolarHBondContact O-N 3.13Å; V40-H43 VanDerWaalsContact O-N 3.08Å; K41-H43 PolarHBondContact O-N 2.87Å; K41-H43 VanDerWaalsContact O-N 3.08Å; H43-F47 WeakPolarHBondContact O-CB 3.42Å; H43-F47 PolarHBondContact O-N 3.49Å; H43-M139 HydrophobicContact CB-CE 4.18Å; H43-M139 HydrophobicContact CB-SD 3.99Å; H43-I178 PolarHBondContact CE1-O 2.6Å; H43-I178 VanDerWaalsContact CE1-O 3.22Å; H43-M451 PolarHBondContact CD2-O 2.94Å; H43-M451 PolarHBondContact NE2-O 3.36Å
44	I	94.9	Very high	90.1	Very high	18 Å²	18	36.6 Å²	36.6	9%	0.092	19%	0.186	C	C	.	.	H	α-helix	trans	-69.7	-50.7	-174.1	-63.1	171.6	0	0	0	111.2	K41 S46 F47 N48 M139 R141	K41-I44 CarbonylContact O-C 3.53Å; K41-I44 PolarHBondContact O-N 3.16Å; I44-S46 VanDerWaalsContact C-N 3.33Å; I44-S46 PolarHBondContact O-N 2.77Å; I44-F47 PolarHBondContact O-N 3.03Å; I44-N48 WeakPolarHBondContact CG2-ND2 3.32Å; I44-N48 WeakPolarHBondContact O-CB 3.3Å; I44-N48 PolarHBondContact O-N 3.16Å; I44-N48 PolarHBondContact O-ND2 3.31Å; I44-M139 HydrophobicContact CG1-SD 4.37Å; I44-R141 HydrophobicContact CD1-CB 4.01Å
45	D	92.6	Very high	90.3	Very high	56 Å²	56	35.5 Å²	35.5	30%	0.299	18%	0.18	S	C	.	.	H	α-helix	trans	-63.9	-40.7	-179.4	-64.3	-13.1	0	0	0	110.6	K41 F47 N48 Y49	K41-D45 WeakPolarHBondContact CB-OD2 3.21Å; K41-D45 VanDerWaalsContact O-CB 3.32Å; K41-D45 WeakPolarHBondContact O-CB 3.34Å; K41-D45 PolarHBondContact O-N 3.28Å; D45-F47 PolarHBondContact O-N 3.17Å; D45-N48 PolarHBondContact O-N 3.12Å; D45-Y49 WeakPolarHBondContact O-CB 3.32Å; D45-Y49 PolarHBondContact O-N 2.87Å
46	S	94.4	Very high	90.8	Very high	8 Å²	8	30.8 Å²	30.8	6%	0.056	16%	0.16	C	C	.	.	H	α-helix	trans	-58.4	-46.5	171.9	170.6	0	0	0	0	112.4	Q42 I44 F50 L363 G365	Q42-S46 WeakPolarHBondContact O-CB 3.41Å; I44-S46 VanDerWaalsContact C-N 3.33Å; I44-S46 PolarHBondContact O-N 2.77Å; S46-F50 PolarHBondContact O-N 2.86Å; S46-F50 VanDerWaalsContact O-N 3.11Å; S46-L363 VanDerWaalsContact OG-CB 3.31Å; S46-L363 WeakPolarHBondContact OG-CB 3.37Å; S46-G365 VanDerWaalsContact OG-CA 3.23Å; S46-G365 WeakPolarHBondContact OG-CA 3.4Å; S46-G365 PolarHBondContact OG-N 2.93Å
47	F	96.3	Very high	91.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-70.2	-39.2	178.8	-176.3	-99.4	0	0	0	112.1	H43 I44 D45 F50 I51 I138 M139 F169 L368	H43-F47 WeakPolarHBondContact O-CB 3.42Å; H43-F47 PolarHBondContact O-N 3.49Å; I44-F47 PolarHBondContact O-N 3.03Å; D45-F47 PolarHBondContact O-N 3.17Å; F47-F50 HydrophobicContact CD2-CD1 4.21Å; F47-F50 HydrophobicContact CE2-CD1 4.19Å; F47-F50 HydrophobicContact CE2-CE1 4.48Å; F47-F50 WeakPolarHBondContact O-CB 3.48Å; F47-F50 PolarHBondContact O-N 3.24Å; F47-I51 HydrophobicContact CD1-CD1 4.25Å; F47-I51 HydrophobicContact CD1-CG2 4.27Å; F47-I51 HydrophobicContact CE1-CD1 4.03Å; F47-I51 HydrophobicContact CE1-CG2 3.78Å; F47-I51 HydrophobicContact CE2-CG2 4.13Å; F47-I51 HydrophobicContact CZ-CG2 3.71Å; F47-I51 WeakPolarHBondContact O-CG1 3.47Å; F47-I51 PolarHBondContact O-N 3.42Å; F47-I138 HydrophobicContact CE1-CD1 4.32Å; F47-I138 HydrophobicContact CZ-CD1 4.16Å; F47-M139 HydrophobicContact CB-CB 4.5Å; F47-M139 HydrophobicContact CB-CE 3.85Å; F47-M139 HydrophobicContact CB-SD 3.96Å; F47-M139 HydrophobicContact CD1-CB 3.74Å; F47-M139 HydrophobicContact CD2-CB 4.34Å; F47-M139 HydrophobicContact CD2-CE 4.34Å; F47-M139 HydrophobicContact CE1-CB 3.96Å; F47-M139 HydrophobicContact CG-CB 3.93Å; F47-M139 HydrophobicContact CG-CE 4.19Å; F47-M139 HydrophobicContact CG-SD 4.38Å; F47-M139 HydrophobicContact CZ-CB 4.36Å; F47-F169 HydrophobicContact CD2-CE1 4.26Å; F47-F169 AromaticContact CD2-CZ 3.97Å; F47-F169 HydrophobicContact CD2-CZ 3.97Å; F47-F169 AromaticContact CE2-CE1 3.81Å; F47-F169 HydrophobicContact CE2-CE1 3.81Å; F47-F169 AromaticContact CE2-CZ 3.95Å; F47-F169 HydrophobicContact CE2-CZ 3.95Å; F47-F169 HydrophobicContact CZ-CE1 4.23Å; F47-L368 HydrophobicContact CD2-CD1 3.69Å; F47-L368 HydrophobicContact CE2-CD1 3.81Å
48	N	95.2	Very high	91.7	Very high	30 Å²	30	32 Å²	32	16%	0.16	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-43.6	175.5	-71.3	-18.8	0	0	0	110.9	I44 D45 F50 I51 N52 S142 S143	I44-N48 WeakPolarHBondContact CG2-ND2 3.32Å; I44-N48 WeakPolarHBondContact O-CB 3.3Å; I44-N48 PolarHBondContact O-N 3.16Å; I44-N48 PolarHBondContact O-ND2 3.31Å; D45-N48 PolarHBondContact O-N 3.12Å; N48-F50 VanDerWaalsContact C-N 3.33Å; N48-F50 PolarHBondContact O-N 2.9Å; N48-I51 WeakPolarHBondContact O-CG1 3.42Å; N48-I51 PolarHBondContact O-N 2.99Å; N48-N52 VanDerWaalsContact O-CB 3.25Å; N48-N52 WeakPolarHBondContact O-CB 3.13Å; N48-N52 VanDerWaalsContact O-CG 3.26Å; N48-N52 PolarHBondContact O-N 2.99Å; N48-N52 PolarHBondContact O-ND2 3.3Å; N48-S142 WeakPolarHBondContact OD1-CA 3.37Å; N48-S142 WeakPolarHBondContact OD1-CB 3.36Å; N48-S143 PolarHBondContact OD1-N 3.34Å; N48-S143 PolarHBondContact OD1-OG 3.06Å
49	Y	94.2	Very high	92.3	Very high	49 Å²	49	31.4 Å²	31.4	19%	0.192	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-41.7	175.2	-177	-107.1	0	0	0	111.7	D45 V53 E54 K57 D504	D45-Y49 WeakPolarHBondContact O-CB 3.32Å; D45-Y49 PolarHBondContact O-N 2.87Å; Y49-V53 HydrophobicContact CD2-CB 4.07Å; Y49-V53 HydrophobicContact CD2-CG2 4.04Å; Y49-V53 HydrophobicContact CE2-CB 3.8Å; Y49-V53 HydrophobicContact CE2-CG1 3.88Å; Y49-V53 HydrophobicContact CE2-CG2 3.97Å; Y49-V53 WeakPolarHBondContact O-CB 3.39Å; Y49-V53 PolarHBondContact O-N 3.28Å; Y49-E54 HydrophobicContact CD1-CG 3.66Å; Y49-E54 HydrophobicContact CE1-CG 3.45Å; Y49-E54 VanDerWaalsContact CE1-CG 3.45Å; Y49-E54 VanDerWaalsContact CE1-OE1 3.31Å; Y49-E54 WeakPolarHBondContact CE1-OE1 3.46Å; Y49-E54 PolarHBondContact O-N 3.11Å; Y49-K57 PolarHBondContact OH-NZ 3.24Å; Y49-K57 VanDerWaalsContact OH-NZ 3.09Å; Y49-D504 PolarHBondContact OH-O 3.12Å
50	F	95	Very high	92.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-58.7	-52.7	176.2	163.4	-112.8	0	0	0	112.6	S46 F47 N48 N52 E54 I55 M136 L368 F372	S46-F50 PolarHBondContact O-N 2.86Å; S46-F50 VanDerWaalsContact O-N 3.11Å; F47-F50 HydrophobicContact CD2-CD1 4.21Å; F47-F50 HydrophobicContact CE2-CD1 4.19Å; F47-F50 HydrophobicContact CE2-CE1 4.48Å; F47-F50 WeakPolarHBondContact O-CB 3.48Å; F47-F50 PolarHBondContact O-N 3.24Å; N48-F50 VanDerWaalsContact C-N 3.33Å; N48-F50 PolarHBondContact O-N 2.9Å; F50-N52 PolarHBondContact O-N 2.92Å; F50-E54 HydrophobicContact CD2-CB 4.17Å; F50-E54 PolarHBondContact O-N 3.35Å; F50-I55 PolarHBondContact O-N 2.72Å; F50-M136 HydrophobicContact CE1-CE 3.74Å; F50-M136 HydrophobicContact CE1-SD 4.11Å; F50-M136 HydrophobicContact CZ-CE 3.78Å; F50-L368 HydrophobicContact CD1-CB 4.27Å; F50-L368 HydrophobicContact CE1-CB 4.07Å; F50-L368 HydrophobicContact CZ-CB 4.32Å; F50-F372 HydrophobicContact CE2-CB 4.16Å; F50-F372 HydrophobicContact CZ-CB 3.93Å; F50-F372 HydrophobicContact CZ-CG 4.25Å
51	I	95.7	Very high	92.6	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.036	20%	0.2	C	C	.	.	I	π-helix	trans	-72.4	-26.2	-176	64.7	179.7	0	0	0	113.5	F47 N48 I55 V82	F47-I51 HydrophobicContact CD1-CD1 4.25Å; F47-I51 HydrophobicContact CD1-CG2 4.27Å; F47-I51 HydrophobicContact CE1-CD1 4.03Å; F47-I51 HydrophobicContact CE1-CG2 3.78Å; F47-I51 HydrophobicContact CE2-CG2 4.13Å; F47-I51 HydrophobicContact CZ-CG2 3.71Å; F47-I51 WeakPolarHBondContact O-CG1 3.47Å; F47-I51 PolarHBondContact O-N 3.42Å; N48-I51 WeakPolarHBondContact O-CG1 3.42Å; N48-I51 PolarHBondContact O-N 2.99Å; I51-I55 WeakPolarHBondContact O-CG2 3.36Å; I51-V82 HydrophobicContact CB-CG2 4.28Å; I51-V82 HydrophobicContact CG2-CG2 4.48Å
52	N	93.9	Very high	92.7	Very high	77 Å²	77	37.5 Å²	37.5	41%	0.412	19%	0.193	S	C	.	.	I	π-helix	trans	-92.7	-37	-176	-68.8	-36.8	0	0	0	113	N48 F50	N48-N52 VanDerWaalsContact O-CB 3.25Å; N48-N52 WeakPolarHBondContact O-CB 3.13Å; N48-N52 VanDerWaalsContact O-CG 3.26Å; N48-N52 PolarHBondContact O-N 2.99Å; N48-N52 PolarHBondContact O-ND2 3.3Å; F50-N52 PolarHBondContact O-N 2.92Å
53	V	91.9	Very high	92.7	Very high	53 Å²	53	39.1 Å²	39.1	32%	0.321	20%	0.2	S	C	.	.	I	π-helix	trans	-120	-56.9	-169.6	-177.3	0	0	0	0	111.8	Y49 I55 K56 K57	Y49-V53 HydrophobicContact CD2-CB 4.07Å; Y49-V53 HydrophobicContact CD2-CG2 4.04Å; Y49-V53 HydrophobicContact CE2-CB 3.8Å; Y49-V53 HydrophobicContact CE2-CG1 3.88Å; Y49-V53 HydrophobicContact CE2-CG2 3.97Å; Y49-V53 WeakPolarHBondContact O-CB 3.39Å; Y49-V53 PolarHBondContact O-N 3.28Å; V53-I55 PolarHBondContact O-N 3.47Å; V53-K56 WeakPolarHBondContact O-CB 3.5Å; V53-K56 PolarHBondContact O-N 3.48Å; V53-K56 VanDerWaalsContact O-N 3.15Å; V53-K57 HydrophobicContact CG1-CD 4.24Å; V53-K57 PolarHBondContact O-N 3.14Å; V53-K57 VanDerWaalsContact O-N 3.14Å
54	E	90.7	Very high	92.6	Very high	20 Å²	20	44.9 Å²	44.9	9%	0.093	23%	0.225	C	C	.	.	I	π-helix	trans	-65.8	-37.3	-171.4	-62	-171.4	163.7	0	0	113	Y49 F50 K56 K57 I58 S369	Y49-E54 HydrophobicContact CD1-CG 3.66Å; Y49-E54 HydrophobicContact CE1-CG 3.45Å; Y49-E54 VanDerWaalsContact CE1-CG 3.45Å; Y49-E54 VanDerWaalsContact CE1-OE1 3.31Å; Y49-E54 WeakPolarHBondContact CE1-OE1 3.46Å; Y49-E54 PolarHBondContact O-N 3.11Å; F50-E54 HydrophobicContact CD2-CB 4.17Å; F50-E54 PolarHBondContact O-N 3.35Å; E54-K56 PolarHBondContact O-N 3.1Å; E54-K57 CarbonylContact O-C 3.58Å; E54-K57 WeakPolarHBondContact O-CA 3.23Å; E54-K57 WeakPolarHBondContact O-CB 3.44Å; E54-K57 PolarHBondContact O-N 3.27Å; E54-I58 WeakPolarHBondContact O-CG1 3.38Å; E54-I58 PolarHBondContact O-N 3.47Å; E54-S369 WeakPolarHBondContact OE2-CB 3.45Å; E54-S369 PolarHBondContact OE2-OG 3.34Å
55	I	93.9	Very high	92.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.1	-34.7	177.5	-160.4	173.3	0	0	0	111.8	F50 I51 V53 M59 I80 V82 F372	F50-I55 PolarHBondContact O-N 2.72Å; I51-I55 WeakPolarHBondContact O-CG2 3.36Å; V53-I55 PolarHBondContact O-N 3.47Å; I55-M59 PolarHBondContact O-N 3.43Å; I55-M59 VanDerWaalsContact O-N 3.08Å; I55-I80 HydrophobicContact CD1-CD1 4.03Å; I55-I80 HydrophobicContact CD1-CG1 4.36Å; I55-I80 HydrophobicContact CG1-CD1 4.06Å; I55-I80 HydrophobicContact CG1-CG2 4.37Å; I55-I80 HydrophobicContact CG2-CG2 4.24Å; I55-V82 HydrophobicContact CD1-CG2 3.78Å; I55-F372 HydrophobicContact CD1-CE1 4Å; I55-F372 HydrophobicContact CD1-CE2 4.44Å; I55-F372 HydrophobicContact CD1-CZ 3.95Å; I55-F372 HydrophobicContact CG1-CD1 3.98Å; I55-F372 HydrophobicContact CG1-CE1 3.49Å; I55-F372 VanDerWaalsContact CG1-CE1 3.49Å; I55-F372 HydrophobicContact CG1-CZ 3.95Å
56	K	94	Very high	92.3	Very high	85 Å²	85	44.7 Å²	44.7	37%	0.37	23%	0.227	S	C	.	.	H	α-helix	trans	-73.5	-39.2	175	-65.3	177.9	-180	166.3	0	111.5	V53 E54 I58 M59 K60 I80	V53-K56 WeakPolarHBondContact O-CB 3.5Å; V53-K56 PolarHBondContact O-N 3.48Å; V53-K56 VanDerWaalsContact O-N 3.15Å; E54-K56 PolarHBondContact O-N 3.1Å; K56-I58 VanDerWaalsContact C-N 3.34Å; K56-I58 PolarHBondContact O-N 3.41Å; K56-M59 PolarHBondContact O-N 2.89Å; K56-K60 WeakPolarHBondContact O-CB 3.37Å; K56-K60 PolarHBondContact O-N 3.44Å; K56-I80 HydrophobicContact CG-CG2 4.02Å
57	K	90.6	Very high	91.9	Very high	99 Å²	99	44.5 Å²	44.5	43%	0.43	23%	0.225	S	C	.	.	H	α-helix	trans	-60.5	-42.5	173.2	-68.3	178.9	174.9	174.6	0	111.3	Y49 V53 E54 K60 A61	Y49-K57 PolarHBondContact OH-NZ 3.24Å; Y49-K57 VanDerWaalsContact OH-NZ 3.09Å; V53-K57 HydrophobicContact CG1-CD 4.24Å; V53-K57 PolarHBondContact O-N 3.14Å; V53-K57 VanDerWaalsContact O-N 3.14Å; E54-K57 CarbonylContact O-C 3.58Å; E54-K57 WeakPolarHBondContact O-CA 3.23Å; E54-K57 WeakPolarHBondContact O-CB 3.44Å; E54-K57 PolarHBondContact O-N 3.27Å; K57-K60 PolarHBondContact O-N 3.49Å; K57-A61 PolarHBondContact O-N 2.91Å
58	I	90.8	Very high	91.4	Very high	12 Å²	12	50 Å²	50	6%	0.062	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-44.8	175.9	-69.4	167.8	0	0	0	111.2	E54 K56 A61 N62 S369 F372 E373 F376	E54-I58 WeakPolarHBondContact O-CG1 3.38Å; E54-I58 PolarHBondContact O-N 3.47Å; K56-I58 VanDerWaalsContact C-N 3.34Å; K56-I58 PolarHBondContact O-N 3.41Å; I58-A61 PolarHBondContact O-N 3.46Å; I58-N62 PolarHBondContact O-N 3.46Å; I58-N62 PolarHBondContact O-ND2 2.97Å; I58-S369 WeakPolarHBondContact CD1-O 3.02Å; I58-F372 HydrophobicContact CD1-CD1 3.99Å; I58-F372 HydrophobicContact CG2-CD1 4.12Å; I58-F372 HydrophobicContact CG2-CE1 4.24Å; I58-E373 HydrophobicContact CD1-CB 4.13Å; I58-E373 HydrophobicContact CG1-CB 4.31Å; I58-E373 HydrophobicContact CG2-CB 4.09Å; I58-E373 HydrophobicContact CG2-CG 4.05Å; I58-F376 HydrophobicContact CG2-CD1 4.34Å
59	M	92.6	Very high	90.8	Very high	11 Å²	11	51.3 Å²	51.3	5%	0.054	27%	0.269	C	S	.	.	H	α-helix	trans	-63.1	-45.6	176.7	-179.1	-83	-71.1	0	0	110.9	I55 K56 A61 N62 E63 Y77 L78 I80	I55-M59 PolarHBondContact O-N 3.43Å; I55-M59 VanDerWaalsContact O-N 3.08Å; K56-M59 PolarHBondContact O-N 2.89Å; M59-A61 VanDerWaalsContact C-N 3.29Å; M59-A61 PolarHBondContact O-N 3.05Å; M59-N62 CarbonylContact O-C 3.51Å; M59-N62 WeakPolarHBondContact O-CA 3.33Å; M59-N62 PolarHBondContact O-N 2.97Å; M59-E63 WeakPolarHBondContact O-CA 3.48Å; M59-E63 PolarHBondContact O-N 3.47Å; M59-Y77 HydrophobicContact CG-CG 4.36Å; M59-Y77 VanDerWaalsContact SD-CB 3.58Å; M59-L78 WeakPolarHBondContact CE-O 3.23Å; M59-I80 HydrophobicContact CB-CG2 4Å; M59-I80 HydrophobicContact CE-CG2 4.42Å; M59-I80 HydrophobicContact CG-CG2 4.37Å
60	K	90.9	Very high	90.2	Very high	133 Å²	133	51.2 Å²	51.2	58%	0.578	27%	0.272	S	S	*	.	H	α-helix	trans	-59.5	-38.8	179.8	-172.2	61.1	179.4	171.5	0	112.7	K56 K57 N62 E63	K56-K60 WeakPolarHBondContact O-CB 3.37Å; K56-K60 PolarHBondContact O-N 3.44Å; K57-K60 PolarHBondContact O-N 3.49Å; K60-N62 PolarHBondContact O-N 3.19Å; K60-E63 WeakPolarHBondContact CD-OE2 3.35Å; K60-E63 WeakPolarHBondContact CE-OE2 3.39Å; K60-E63 IonicContact NZ-OE2 2.7Å; K60-E63 PolarHBondContact NZ-OE2 2.97Å
61	A	86.6	Confident	89.5	Confident	74 Å²	74	56.2 Å²	56.2	61%	0.612	31%	0.305	S	S	*	.	H	α-helix	trans	-67	-17.9	175.7	0	0	0	0	0	113.7	K57 I58 M59	K57-A61 PolarHBondContact O-N 2.91Å; I58-A61 PolarHBondContact O-N 3.46Å; M59-A61 VanDerWaalsContact C-N 3.29Å; M59-A61 PolarHBondContact O-N 3.05Å
62	N	88.6	Confident	88.9	Confident	30 Å²	30	63.3 Å²	63.3	16%	0.16	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	32.9	-176.6	-55.3	-68.8	0	0	0	111.5	I58 M59 K60 K64 F376 K377	I58-N62 PolarHBondContact O-N 3.46Å; I58-N62 PolarHBondContact O-ND2 2.97Å; M59-N62 CarbonylContact O-C 3.51Å; M59-N62 WeakPolarHBondContact O-CA 3.33Å; M59-N62 PolarHBondContact O-N 2.97Å; K60-N62 PolarHBondContact O-N 3.19Å; N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.22Å; N62-F376 HydrophobicContact CB-CD1 4.34Å; N62-F376 HydrophobicContact CB-CE1 4.1Å; N62-K377 WeakPolarHBondContact ND2-CE 3.45Å; N62-K377 WeakPolarHBondContact OD1-CE 3.47Å; N62-K377 PolarHBondContact OD1-NZ 3.29Å
63	E	91	Very high	88.6	Confident	59 Å²	59	60.2 Å²	60.2	28%	0.276	32%	0.322	S	S	.	.			trans	-66.7	-26.7	-165.3	63.5	170.8	-160	0	0	113.6	M59 K60 K76 Y77	M59-E63 WeakPolarHBondContact O-CA 3.48Å; M59-E63 PolarHBondContact O-N 3.47Å; K60-E63 WeakPolarHBondContact CD-OE2 3.35Å; K60-E63 WeakPolarHBondContact CE-OE2 3.39Å; K60-E63 IonicContact NZ-OE2 2.7Å; K60-E63 PolarHBondContact NZ-OE2 2.97Å; E63-K76 CarbonylContact O-C 3.59Å; E63-K76 WeakPolarHBondContact O-CA 3.38Å; E63-Y77 PolarHBondContact O-N 3.01Å
64	K	91.3	Very high	88.6	Confident	122 Å²	122	59.3 Å²	59.3	53%	0.53	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.8	-172.3	-167.6	179.4	-179.8	-175.4	0	111.8	N62 T66 L75	N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.22Å; K64-T66 HydrophobicContact CD-CG2 4.3Å; K64-T66 HydrophobicContact CG-CG2 4.29Å; K64-L75 CarbonylContact C-O 3.57Å; K64-L75 WeakPolarHBondContact CA-O 3.36Å
65	I	91.2	Very high	88.6	Confident	12 Å²	12	58.3 Å²	58.3	6%	0.062	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.8	170	-49.7	-179.5	0	0	0	107.9	W73 Y74 L75 Y77 N380 K384	I65-W73 HydrophobicContact CG2-CZ3 4.45Å; I65-Y74 VanDerWaalsContact O-CA 3.28Å; I65-Y74 WeakPolarHBondContact O-CA 3.44Å; I65-L75 HydrophobicContact CB-CB 4.38Å; I65-L75 HydrophobicContact CD1-CD2 4.08Å; I65-L75 PolarHBondContact N-O 3.39Å; I65-L75 PolarHBondContact O-N 3.47Å; I65-Y77 HydrophobicContact CD1-CE2 4.13Å; I65-Y77 HydrophobicContact CG1-CE2 4.45Å; I65-N380 HydrophobicContact CD1-CB 3.58Å; I65-N380 WeakPolarHBondContact CD1-OD1 3.08Å; I65-N380 HydrophobicContact CG1-CB 4.32Å; I65-K384 HydrophobicContact CG2-CB 3.94Å; I65-K384 HydrophobicContact CG2-CG 4.41Å
66	T	89.7	Confident	88.6	Confident	58 Å²	58	61.5 Å²	61.5	36%	0.356	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	148.1	175.7	54	0	0	0	0	109.9	K64 K384	K64-T66 HydrophobicContact CD-CG2 4.3Å; K64-T66 HydrophobicContact CG-CG2 4.29Å; T66-K384 WeakPolarHBondContact O-CE 3.47Å
67	S	85.8	Confident	88.7	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.021	31%	0.305	C	S	.	.			trans	-82.8	144.2	171.5	176.2	0	0	0	0	109.9	A69 D70 D388	S67-A69 PolarHBondContact OG-N 3.15Å; S67-A69 VanDerWaalsContact OG-N 3.16Å; S67-D70 PolarHBondContact OG-N 3.32Å; S67-D388 WeakPolarHBondContact CA-OD1 3.41Å; S67-D388 WeakPolarHBondContact CB-OD1 3.36Å; S67-D388 PolarHBondContact OG-OD1 3.04Å
68	D	86.3	Confident	88.9	Confident	116 Å²	116	56.4 Å²	56.4	62%	0.62	30%	0.303	S	S	*	.	S	Bend	trans	-81.6	-22.5	173.2	-62.6	-23.6	0	0	0	111.1	K384 D388	D68-K384 WeakPolarHBondContact OD1-CE 3.44Å; D68-K384 IonicContact OD1-NZ 2.89Å; D68-K384 PolarHBondContact OD1-NZ 3.35Å; D68-K384 VanDerWaalsContact OD2-CE 3.3Å; D68-K384 WeakPolarHBondContact OD2-CE 3.42Å; D68-K384 IonicContact OD2-NZ 3.79Å; D68-K384 PolarHBondContact OD2-NZ 3.35Å; D68-D388 PolarHBondContact N-OD1 3.47Å
69	A	81.5	Confident	89.1	Confident	57 Å²	57	57.9 Å²	57.9	47%	0.471	31%	0.311	S	S	.	.	S	Bend	trans	-82.1	-40.2	179.1	0	0	0	0	0	112.7	S67	S67-A69 PolarHBondContact OG-N 3.15Å; S67-A69 VanDerWaalsContact OG-N 3.16Å
70	D	81.3	Confident	89.2	Confident	48 Å²	48	57.4 Å²	57.4	26%	0.257	31%	0.309	S	S	.	.			trans	-127	102.1	173.1	-176.8	4.1	0	0	0	110.5	S67 M72 W73 I391	S67-D70 PolarHBondContact OG-N 3.32Å; D70-M72 PolarHBondContact O-N 3.19Å; D70-M72 WeakPolarHBondContact OD1-CB 3.29Å; D70-M72 PolarHBondContact OD1-N 3.4Å; D70-W73 HydrophobicContact CB-CB 4.37Å; D70-W73 PolarHBondContact O-N 3.29Å; D70-W73 VanDerWaalsContact O-N 3.14Å; D70-I391 HydrophobicContact CB-CG2 3.7Å
71	P	82.3	Confident	89.4	Confident	105 Å²	105	56 Å²	56	68%	0.682	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20	179.2	-21	32.2	0	0	0	114.1	W73	P71-W73 VanDerWaalsContact C-N 3.31Å
72	M	83.2	Confident	89.9	Confident	155 Å²	155	53.4 Å²	53.4	76%	0.764	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-23.3	178.6	-65.9	-178.2	-85.4	0	0	111.8	D70	D70-M72 PolarHBondContact O-N 3.19Å; D70-M72 WeakPolarHBondContact OD1-CB 3.29Å; D70-M72 PolarHBondContact OD1-N 3.4Å
73	W	87.2	Confident	90.1	Very high	12 Å²	12	53 Å²	53	5%	0.045	28%	0.281	C	S	.	.			trans	-78.8	127	176.7	-176.8	87.8	0	0	0	111.7	I65 D70 P71 L75 T120 A387 I391 F399 V401	I65-W73 HydrophobicContact CG2-CZ3 4.45Å; D70-W73 HydrophobicContact CB-CB 4.37Å; D70-W73 PolarHBondContact O-N 3.29Å; D70-W73 VanDerWaalsContact O-N 3.14Å; P71-W73 VanDerWaalsContact C-N 3.31Å; W73-L75 HydrophobicContact CH2-CB 4.15Å; W73-L75 HydrophobicContact CZ2-CB 4.32Å; W73-T120 VanDerWaalsContact CA-OG1 3.28Å; W73-T120 WeakPolarHBondContact CA-OG1 3.36Å; W73-T120 VanDerWaalsContact CD1-OG1 3.31Å; W73-T120 PolarHBondContact NE1-O 3.06Å; W73-A387 HydrophobicContact CE3-CB 4.3Å; W73-A387 HydrophobicContact CH2-CB 3.88Å; W73-A387 HydrophobicContact CZ2-CB 4.44Å; W73-A387 HydrophobicContact CZ3-CB 3.8Å; W73-I391 HydrophobicContact CB-CD1 4.24Å; W73-I391 HydrophobicContact CD2-CD1 3.96Å; W73-I391 HydrophobicContact CE3-CD1 4.21Å; W73-I391 HydrophobicContact CG-CD1 3.95Å; W73-F399 AromaticContact CE2-CE1 3.98Å; W73-F399 HydrophobicContact CH2-CE1 4.38Å; W73-F399 HydrophobicContact CZ2-CD1 4.31Å; W73-F399 AromaticContact CZ2-CE1 3.72Å; W73-F399 HydrophobicContact CZ2-CE1 3.72Å; W73-F399 AromaticContact NE1-CD1 3.9Å; W73-V401 HydrophobicContact CH2-CG2 4.45Å; W73-V401 HydrophobicContact CZ2-CB 4.07Å; W73-V401 HydrophobicContact CZ2-CG2 4.16Å
74	Y	90.8	Very high	90.2	Very high	34 Å²	34	56 Å²	56	13%	0.133	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.5	170.8	73.6	-86.2	0	0	0	113	I65 K76 E118 Y119 T120	I65-Y74 VanDerWaalsContact O-CA 3.28Å; I65-Y74 WeakPolarHBondContact O-CA 3.44Å; Y74-K76 HydrophobicContact CD2-CB 4.06Å; Y74-K76 HydrophobicContact CE2-CB 4.06Å; Y74-E118 HydrophobicContact CE2-CG 4.4Å; Y74-E118 PolarHBondContact OH-OE1 3Å; Y74-Y119 VanDerWaalsContact O-CA 3.27Å; Y74-Y119 WeakPolarHBondContact O-CA 3.45Å; Y74-Y119 WeakPolarHBondContact O-CB 3.4Å; Y74-T120 HydrophobicContact CD1-CG2 3.59Å; Y74-T120 HydrophobicContact CE1-CG2 3.34Å; Y74-T120 HydrophobicContact CG-CG2 4.49Å; Y74-T120 PolarHBondContact N-OG1 3.45Å; Y74-T120 PolarHBondContact O-N 3.06Å; Y74-T120 VanDerWaalsContact O-N 3.1Å; Y74-T120 PolarHBondContact O-OG1 3.39Å
75	L	91.4	Very high	90.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.1	165.3	170.7	66.8	0	0	0	107.8	K64 I65 W73 Y77 I117 E118 L383 V401 M405	K64-L75 CarbonylContact C-O 3.57Å; K64-L75 WeakPolarHBondContact CA-O 3.36Å; I65-L75 HydrophobicContact CB-CB 4.38Å; I65-L75 HydrophobicContact CD1-CD2 4.08Å; I65-L75 PolarHBondContact N-O 3.39Å; I65-L75 PolarHBondContact O-N 3.47Å; W73-L75 HydrophobicContact CH2-CB 4.15Å; W73-L75 HydrophobicContact CZ2-CB 4.32Å; L75-Y77 HydrophobicContact CD2-CE1 4.42Å; L75-I117 HydrophobicContact CD1-CB 3.74Å; L75-I117 HydrophobicContact CD1-CD1 3.97Å; L75-I117 HydrophobicContact CD1-CG1 4.43Å; L75-I117 HydrophobicContact CD1-CG2 3.91Å; L75-E118 CarbonylContact C-O 3.59Å; L75-L383 HydrophobicContact CD2-CD1 4.25Å; L75-V401 HydrophobicContact CD1-CG1 4.25Å; L75-V401 HydrophobicContact CD2-CG1 4.49Å; L75-V401 HydrophobicContact CD2-CG2 4.23Å; L75-M405 HydrophobicContact CD1-CE 4.31Å; L75-M405 HydrophobicContact CD2-CE 3.63Å
76	K	94.5	Very high	90.2	Very high	66 Å²	66	52 Å²	52	29%	0.287	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.9	177.9	-174.1	179.8	179.4	-172.4	0	110.3	E63 Y74 I117 E118	E63-K76 CarbonylContact O-C 3.59Å; E63-K76 WeakPolarHBondContact O-CA 3.38Å; Y74-K76 HydrophobicContact CD2-CB 4.06Å; Y74-K76 HydrophobicContact CE2-CB 4.06Å; K76-I117 CarbonylContact O-C 3.53Å; K76-I117 WeakPolarHBondContact O-CA 3.37Å; K76-E118 HydrophobicContact CB-CB 4.36Å; K76-E118 PolarHBondContact N-O 2.79Å; K76-E118 PolarHBondContact O-N 3.32Å
77	Y	95.4	Very high	90	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126.4	171.4	-60.2	-69.7	0	0	0	109.5	M59 E63 I65 L75 V115 I117 F376 N380	M59-Y77 HydrophobicContact CG-CG 4.36Å; M59-Y77 VanDerWaalsContact SD-CB 3.58Å; E63-Y77 PolarHBondContact O-N 3.01Å; I65-Y77 HydrophobicContact CD1-CE2 4.13Å; I65-Y77 HydrophobicContact CG1-CE2 4.45Å; L75-Y77 HydrophobicContact CD2-CE1 4.42Å; Y77-V115 HydrophobicContact CD1-CG1 4.41Å; Y77-V115 HydrophobicContact CD1-CG2 3.47Å; Y77-V115 VanDerWaalsContact CD1-CG2 3.47Å; Y77-V115 HydrophobicContact CE1-CG1 4.41Å; Y77-V115 HydrophobicContact CE1-CG2 4.19Å; Y77-V115 HydrophobicContact CG-CG2 4.3Å; Y77-I117 HydrophobicContact CD1-CG2 3.45Å; Y77-I117 VanDerWaalsContact CD1-CG2 3.45Å; Y77-I117 HydrophobicContact CE1-CG2 3.67Å; Y77-F376 HydrophobicContact CD1-CZ 4.48Å; Y77-F376 HydrophobicContact CD2-CE1 4.37Å; Y77-F376 AromaticContact CD2-CZ 3.82Å; Y77-F376 HydrophobicContact CD2-CZ 3.82Å; Y77-F376 HydrophobicContact CE1-CZ 4.28Å; Y77-F376 HydrophobicContact CE2-CE1 4.21Å; Y77-F376 HydrophobicContact CE2-CE2 4.38Å; Y77-F376 AromaticContact CE2-CZ 3.57Å; Y77-F376 HydrophobicContact CE2-CZ 3.57Å; Y77-F376 HydrophobicContact CG-CZ 4.26Å; Y77-F376 AromaticContact CZ-CZ 3.81Å; Y77-N380 WeakPolarHBondContact CE2-OD1 3.31Å; Y77-N380 PolarHBondContact OH-OD1 3.12Å
78	L	94.6	Very high	89.6	Confident	75 Å²	75	54.3 Å²	54.3	39%	0.393	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-53.2	179.9	-62.4	179.2	0	0	0	111	M59 D116 E118 I127	M59-L78 WeakPolarHBondContact CE-O 3.23Å; L78-D116 HydrophobicContact CB-CB 4.06Å; L78-D116 PolarHBondContact N-O 3.4Å; L78-E118 HydrophobicContact CD1-CB 4.32Å; L78-E118 HydrophobicContact CD2-CB 4.27Å; L78-E118 HydrophobicContact CG-CB 4.27Å; L78-I127 HydrophobicContact CD1-CG2 4.19Å
79	N	94.9	Very high	89.1	Confident	43 Å²	43	51.4 Å²	51.4	23%	0.23	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	160.6	177.2	-151.8	-2.1	0	0	0	111.2	Y81 V115 D116	N79-Y81 HydrophobicContact CB-CE2 4.01Å; N79-Y81 WeakPolarHBondContact ND2-CE1 3.46Å; N79-Y81 PolarHBondContact ND2-OH 2.95Å; N79-V115 WeakPolarHBondContact O-CA 3.21Å; N79-V115 VanDerWaalsContact O-CG2 3.23Å; N79-V115 WeakPolarHBondContact O-CG2 3.3Å; N79-D116 PolarHBondContact O-N 3.14Å
80	I	95.5	Very high	88.3	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.9	179.4	-172	164.9	0	0	0	110	I55 K56 M59 I113 V115 I133 F372	I55-I80 HydrophobicContact CD1-CD1 4.03Å; I55-I80 HydrophobicContact CD1-CG1 4.36Å; I55-I80 HydrophobicContact CG1-CD1 4.06Å; I55-I80 HydrophobicContact CG1-CG2 4.37Å; I55-I80 HydrophobicContact CG2-CG2 4.24Å; K56-I80 HydrophobicContact CG-CG2 4.02Å; M59-I80 HydrophobicContact CB-CG2 4Å; M59-I80 HydrophobicContact CE-CG2 4.42Å; M59-I80 HydrophobicContact CG-CG2 4.37Å; I80-I113 HydrophobicContact CD1-CG2 3.81Å; I80-I113 HydrophobicContact CG1-CG2 3.94Å; I80-V115 HydrophobicContact CB-CG2 4.42Å; I80-I133 HydrophobicContact CD1-CD1 4.18Å; I80-F372 HydrophobicContact CD1-CE1 4.42Å; I80-F372 HydrophobicContact CD1-CZ 3.97Å
81	Y	95.3	Very high	87.8	Confident	105 Å²	105	58.4 Å²	58.4	41%	0.412	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.4	-179.4	-49.9	-83.6	0	0	0	111.1	N79 T114 D116	N79-Y81 HydrophobicContact CB-CE2 4.01Å; N79-Y81 WeakPolarHBondContact ND2-CE1 3.46Å; N79-Y81 PolarHBondContact ND2-OH 2.95Å; Y81-T114 PolarHBondContact N-O 3.15Å; Y81-T114 PolarHBondContact O-N 3.37Å; Y81-D116 WeakPolarHBondContact CE2-OD2 2.75Å
82	V	96	Very high	87.4	Confident	18 Å²	18	59.6 Å²	59.6	11%	0.109	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.2	169.6	-177.1	0	0	0	0	107.2	I51 I55 A111 M136 I138 N144	I51-V82 HydrophobicContact CB-CG2 4.28Å; I51-V82 HydrophobicContact CG2-CG2 4.48Å; I55-V82 HydrophobicContact CD1-CG2 3.78Å; V82-A111 HydrophobicContact CG1-CB 4.38Å; V82-M136 HydrophobicContact CG1-CB 4.17Å; V82-M136 HydrophobicContact CG1-CG 4.39Å; V82-I138 HydrophobicContact CG1-CD1 3.77Å; V82-N144 PolarHBondContact O-ND2 3.46Å
83	G	93.8	Very high	87.2	Confident	23 Å²	23	56.4 Å²	56.4	24%	0.237	29%	0.286	C	S	.	.			trans	-73.1	-163.5	-178.3	0	0	0	0	0	113.9	A111 P112 N144	G83-A111 VanDerWaalsContact O-CB 3.31Å; G83-A111 WeakPolarHBondContact O-CB 3.25Å; G83-P112 PolarHBondContact N-O 2.98Å; G83-N144 PolarHBondContact O-ND2 3.49Å; G83-N144 VanDerWaalsContact O-ND2 3.12Å
84	M	92.7	Very high	86.8	Confident	122 Å²	122	60 Å²	60	60%	0.601	31%	0.309	S	S	*	.			trans	-94	154.7	171.7	-68.6	-66.5	-180	0	0	111	D86 A111 P112 N144	M84-D86 PolarHBondContact O-N 2.91Å; M84-A111 WeakPolarHBondContact O-CB 3.16Å; M84-P112 WeakPolarHBondContact O-CD 3.47Å; M84-N144 HydrophobicContact SD-CB 4.08Å; M84-N144 VanDerWaalsContact SD-O 3.38Å
85	P	92.8	Very high	86.6	Confident	12 Å²	12	62.2 Å²	62.2	8%	0.078	32%	0.317	C	S	.	.			trans	-63.4	120.8	179.2	-30	41.1	0	0	0	113.3	Y109 S110 A111 I138 N144	P85-Y109 HydrophobicContact CB-CD2 4.15Å; P85-Y109 HydrophobicContact CB-CE1 4.08Å; P85-Y109 HydrophobicContact CB-CE2 3.57Å; P85-Y109 HydrophobicContact CG-CD1 4.46Å; P85-Y109 HydrophobicContact CG-CE1 3.67Å; P85-Y109 HydrophobicContact CG-CE2 4.03Å; P85-Y109 VanDerWaalsContact CG-CZ 3.43Å; P85-Y109 WeakPolarHBondContact CG-OH 3.4Å; P85-S110 WeakPolarHBondContact CA-O 3.45Å; P85-A111 HydrophobicContact CG-CB 4.37Å; P85-I138 HydrophobicContact CG-CB 4.13Å; P85-I138 HydrophobicContact CG-CG1 3.98Å; P85-I138 HydrophobicContact CG-CG2 4.25Å; P85-N144 WeakPolarHBondContact CD-O 3.5Å
86	D	89.6	Confident	86.5	Confident	36 Å²	36	67.6 Å²	67.6	19%	0.193	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	163.3	176.4	60	13.4	0	0	0	110.8	M84 R95 S110 P112 R135	M84-D86 PolarHBondContact O-N 2.91Å; D86-R95 CarbonylContact C-O 3.6Å; D86-R95 WeakPolarHBondContact CA-O 3.42Å; D86-S110 PolarHBondContact N-O 2.91Å; D86-P112 WeakPolarHBondContact OD1-CD 3.46Å; D86-R135 PolarHBondContact O-NH2 3.17Å; D86-R135 IonicContact OD1-CZ 3.93Å; D86-R135 IonicContact OD1-NH1 2.79Å; D86-R135 PolarHBondContact OD1-NH1 3.08Å; D86-R135 IonicContact OD1-NH2 2.6Å; D86-R135 PolarHBondContact OD1-NH2 2.87Å
87	V	84.7	Confident	86.4	Confident	9 Å²	9	65 Å²	65	6%	0.055	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.6	168.2	59.9	0	0	0	0	108.5	E89 T94 R95 V97 M107	V87-E89 HydrophobicContact CG1-CG 4.39Å; V87-E89 HydrophobicContact CG2-CG 4.29Å; V87-T94 WeakPolarHBondContact O-CA 3.33Å; V87-R95 HydrophobicContact CG1-CG 3.43Å; V87-R95 VanDerWaalsContact CG1-CG 3.43Å; V87-R95 PolarHBondContact N-O 3.21Å; V87-R95 PolarHBondContact O-N 3.02Å; V87-V97 HydrophobicContact CB-CB 4.32Å; V87-V97 HydrophobicContact CG1-CB 4.05Å; V87-V97 HydrophobicContact CG1-CG2 4.38Å; V87-M107 HydrophobicContact CB-CE 4.35Å; V87-M107 HydrophobicContact CG2-CE 3.2Å; V87-M107 HydrophobicContact CG2-SD 4.22Å
88	E	78.9	Confident	86.4	Confident	101 Å²	101	65.9 Å²	65.9	47%	0.472	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.4	170.5	-169.1	172.6	-168.9	0	0	107.9
89	E	75.4	Confident	86.5	Confident	56 Å²	56	62.3 Å²	62.3	26%	0.262	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	173.2	176.5	-63.1	-164.3	138.8	0	0	111.4	V87 F91 N92 V93 R95 R105	V87-E89 HydrophobicContact CG1-CG 4.39Å; V87-E89 HydrophobicContact CG2-CG 4.29Å; E89-F91 PolarHBondContact O-N 3.27Å; E89-N92 PolarHBondContact O-N 2.94Å; E89-N92 VanDerWaalsContact O-N 3.11Å; E89-V93 PolarHBondContact N-O 2.85Å; E89-R95 IonicContact OE1-CZ 2.76Å; E89-R95 VanDerWaalsContact OE1-CZ 3.29Å; E89-R95 IonicContact OE1-NE 2.86Å; E89-R95 PolarHBondContact OE1-NE 3.08Å; E89-R95 VanDerWaalsContact OE1-NE 3.08Å; E89-R95 IonicContact OE1-NH2 2.91Å; E89-R95 PolarHBondContact OE1-NH2 3.02Å; E89-R95 IonicContact OE2-CZ 2.65Å; E89-R95 IonicContact OE2-NE 3.72Å; E89-R95 PolarHBondContact OE2-NE 2.96Å; E89-R95 IonicContact OE2-NH2 3Å; E89-R105 IonicContact OE1-CZ 3.61Å; E89-R105 IonicContact OE1-NH1 2.96Å; E89-R105 PolarHBondContact OE1-NH1 3.33Å; E89-R105 IonicContact OE1-NH2 3.29Å; E89-R105 PolarHBondContact OE1-NH2 3.27Å
90	S	65.1	Low	86.5	Confident	58 Å²	58	60.9 Å²	60.9	41%	0.406	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	137.6	173.6	25.3	0	0	0	0	110	D876	S90-D876 PolarHBondContact OG-OD1 3.02Å; S90-D876 VanDerWaalsContact OG-OD1 3.09Å
91	F	70.5	Confident	86.4	Confident	194 Å²	194	62.7 Å²	62.7	85%	0.851	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	21.7	-170.2	-48.3	-81.3	0	0	0	116.8	E89 V93	E89-F91 PolarHBondContact O-N 3.27Å; F91-V93 PolarHBondContact O-N 2.95Å
92	N	73.1	Confident	86.4	Confident	129 Å²	129	57.8 Å²	57.8	69%	0.69	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	26.7	173.7	-56.6	-15.7	0	0	0	114.1	E89	E89-N92 PolarHBondContact O-N 2.94Å; E89-N92 VanDerWaalsContact O-N 3.11Å
93	V	78.1	Confident	86.3	Confident	88 Å²	88	57.4 Å²	57.4	53%	0.533	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	119.9	174.4	-178.3	0	0	0	0	108.5	E89 F91	E89-V93 PolarHBondContact N-O 2.85Å; F91-V93 PolarHBondContact O-N 2.95Å
94	T	78.8	Confident	86.3	Confident	89 Å²	89	57.9 Å²	57.9	55%	0.546	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.3	176.4	54.9	0	0	0	0	110.7	V87	V87-T94 WeakPolarHBondContact O-CA 3.33Å
95	R	87.3	Confident	86.3	Confident	79 Å²	79	52.9 Å²	52.9	30%	0.298	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.7	173.3	66.4	179.1	175.4	101.9	-8.2	112.6	D86 V87 E89 E101	D86-R95 CarbonylContact C-O 3.6Å; D86-R95 WeakPolarHBondContact CA-O 3.42Å; V87-R95 HydrophobicContact CG1-CG 3.43Å; V87-R95 VanDerWaalsContact CG1-CG 3.43Å; V87-R95 PolarHBondContact N-O 3.21Å; V87-R95 PolarHBondContact O-N 3.02Å; E89-R95 IonicContact OE1-CZ 2.76Å; E89-R95 VanDerWaalsContact OE1-CZ 3.29Å; E89-R95 IonicContact OE1-NE 2.86Å; E89-R95 PolarHBondContact OE1-NE 3.08Å; E89-R95 VanDerWaalsContact OE1-NE 3.08Å; E89-R95 IonicContact OE1-NH2 2.91Å; E89-R95 PolarHBondContact OE1-NH2 3.02Å; E89-R95 IonicContact OE2-CZ 2.65Å; E89-R95 IonicContact OE2-NE 3.72Å; E89-R95 PolarHBondContact OE2-NE 2.96Å; E89-R95 IonicContact OE2-NH2 3Å; R95-E101 IonicContact CZ-OE1 3.21Å; R95-E101 IonicContact CZ-OE2 2.84Å; R95-E101 IonicContact NH1-OE1 2.98Å; R95-E101 PolarHBondContact NH1-OE1 3.06Å; R95-E101 IonicContact NH1-OE2 2.65Å; R95-E101 PolarHBondContact NH1-OE2 3.35Å; R95-E101 IonicContact NH2-OE1 3.6Å; R95-E101 PolarHBondContact NH2-OE1 2.9Å
96	P	90	Very high	86.3	Confident	114 Å²	114	54.2 Å²	54.2	74%	0.74	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	141.6	171.7	28.4	-34.1	0	0	0	109.9
97	V	92.8	Very high	86.4	Confident	10 Å²	10	53.8 Å²	53.8	6%	0.061	28%	0.283	C	S	.	.			trans	-122.4	142.3	-175	68.2	0	0	0	0	111.3	V87 E101 Y109	V87-V97 HydrophobicContact CB-CB 4.32Å; V87-V97 HydrophobicContact CG1-CB 4.05Å; V87-V97 HydrophobicContact CG1-CG2 4.38Å; V97-E101 HydrophobicContact CG2-CB 3.96Å; V97-E101 HydrophobicContact CG2-CG 4.04Å; V97-Y109 HydrophobicContact CG1-CD2 4.16Å; V97-Y109 HydrophobicContact CG1-CE2 4.36Å; V97-Y109 WeakPolarHBondContact O-CE2 3.39Å
98	S	95	Very high	86.9	Confident	22 Å²	22	54.9 Å²	54.9	15%	0.154	29%	0.29	C	S	.	.			trans	-86.3	152.5	173.3	72.4	0	0	0	0	111.3	H100 E101 C102	S98-H100 PolarHBondContact O-N 2.65Å; S98-E101 PolarHBondContact O-N 3.03Å; S98-E101 WeakPolarHBondContact OG-CB 3.48Å; S98-E101 PolarHBondContact OG-N 2.84Å; S98-C102 PolarHBondContact O-N 3.42Å
99	P	95.9	Very high	87.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-31.7	174	-25.3	36	0	0	0	112.9	C102 R103 Y109 L140 L147 I170	P99-C102 PolarHBondContact O-N 3.09Å; P99-R103 VanDerWaalsContact C-NH1 3.26Å; P99-R103 WeakPolarHBondContact O-CG 3.39Å; P99-R103 PolarHBondContact O-N 3.36Å; P99-R103 PolarHBondContact O-NH1 3.49Å; P99-R103 VanDerWaalsContact O-NH1 3.15Å; P99-Y109 HydrophobicContact CG-CD2 4.26Å; P99-Y109 HydrophobicContact CG-CE2 3.84Å; P99-L140 HydrophobicContact CB-CD1 4.48Å; P99-L140 HydrophobicContact CB-CD2 3.92Å; P99-L140 HydrophobicContact CB-CG 4.24Å; P99-L140 HydrophobicContact CG-CD2 4.32Å; P99-L140 HydrophobicContact CG-CG 4.26Å; P99-L147 HydrophobicContact CG-CD1 3.97Å; P99-L147 HydrophobicContact CG-CG 4.19Å; P99-I170 HydrophobicContact CB-CD1 3.63Å; P99-I170 WeakPolarHBondContact O-CD1 3.31Å
100	H	95.8	Very high	88.7	Confident	12 Å²	12	48 Å²	48	6%	0.056	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-45	176.6	-168.2	75.2	0	0	0	112	S98 C102 R103 L104 N159	S98-H100 PolarHBondContact O-N 2.65Å; H100-C102 VanDerWaalsContact C-N 3.35Å; H100-C102 PolarHBondContact O-N 2.99Å; H100-R103 PolarHBondContact O-N 3.29Å; H100-L104 WeakPolarHBondContact NE2-CD1 3.42Å; H100-L104 PolarHBondContact O-N 2.8Å; H100-L104 VanDerWaalsContact O-N 3.11Å; H100-N159 HydrophobicContact CB-CB 4.17Å
101	E	94.1	Very high	90.1	Very high	40 Å²	40	45.2 Å²	45.2	19%	0.187	24%	0.239	C	C	.	.	H	α-helix	trans	-59.6	-45.1	175.9	-176.2	176.7	171.5	0	0	111.4	R95 V97 S98 R103 L104 R105	R95-E101 IonicContact CZ-OE1 3.21Å; R95-E101 IonicContact CZ-OE2 2.84Å; R95-E101 IonicContact NH1-OE1 2.98Å; R95-E101 PolarHBondContact NH1-OE1 3.06Å; R95-E101 IonicContact NH1-OE2 2.65Å; R95-E101 PolarHBondContact NH1-OE2 3.35Å; R95-E101 IonicContact NH2-OE1 3.6Å; R95-E101 PolarHBondContact NH2-OE1 2.9Å; V97-E101 HydrophobicContact CG2-CB 3.96Å; V97-E101 HydrophobicContact CG2-CG 4.04Å; S98-E101 PolarHBondContact O-N 3.03Å; S98-E101 WeakPolarHBondContact OG-CB 3.48Å; S98-E101 PolarHBondContact OG-N 2.84Å; E101-R103 VanDerWaalsContact C-N 3.27Å; E101-R103 PolarHBondContact O-N 2.93Å; E101-L104 PolarHBondContact O-N 2.84Å; E101-R105 HydrophobicContact CG-CG 4.05Å; E101-R105 WeakPolarHBondContact O-CB 3.43Å; E101-R105 WeakPolarHBondContact O-CG 3.47Å; E101-R105 PolarHBondContact O-N 3.09Å; E101-R105 WeakPolarHBondContact OE1-CD 3.34Å; E101-R105 IonicContact OE1-CZ 3.43Å; E101-R105 IonicContact OE1-NH1 3.17Å; E101-R105 PolarHBondContact OE1-NH1 3.33Å
102	C	94.3	Very high	91.3	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.014	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-35.9	177.3	-63.7	0	0	0	0	113	S98 P99 H100 D106 M107 I170	S98-C102 PolarHBondContact O-N 3.42Å; P99-C102 PolarHBondContact O-N 3.09Å; H100-C102 VanDerWaalsContact C-N 3.35Å; H100-C102 PolarHBondContact O-N 2.99Å; C102-D106 PolarHBondContact O-N 3.26Å; C102-M107 HydrophobicContact CB-CB 4.47Å; C102-M107 PolarHBondContact O-N 3.42Å; C102-I170 HydrophobicContact CB-CG2 4.02Å
103	R	94.5	Very high	92.4	Very high	10 Å²	10	31 Å²	31	4%	0.038	17%	0.173	C	C	.	.	H	α-helix	trans	-68.7	-43.1	176.2	-65.2	-173.2	-158.1	93.1	-17.6	112.1	P99 H100 E101 E160 Y168 I170 E175 K881	P99-R103 VanDerWaalsContact C-NH1 3.26Å; P99-R103 WeakPolarHBondContact O-CG 3.39Å; P99-R103 PolarHBondContact O-N 3.36Å; P99-R103 PolarHBondContact O-NH1 3.49Å; P99-R103 VanDerWaalsContact O-NH1 3.15Å; H100-R103 PolarHBondContact O-N 3.29Å; E101-R103 VanDerWaalsContact C-N 3.27Å; E101-R103 PolarHBondContact O-N 2.93Å; R103-E160 IonicContact CZ-OE1 2.68Å; R103-E160 IonicContact NH1-OE1 3.46Å; R103-E160 PolarHBondContact NH1-OE1 3.07Å; R103-E160 IonicContact NH1-OE2 3.62Å; R103-E160 IonicContact NH2-OE1 3.05Å; R103-E160 PolarHBondContact NH2-OE1 2.88Å; R103-E160 IonicContact NH2-OE2 2.89Å; R103-Y168 PolarHBondContact NH2-OH 2.91Å; R103-I170 HydrophobicContact CG-CD1 3.85Å; R103-I170 HydrophobicContact CG-CG1 4.36Å; R103-I170 HydrophobicContact CG-CG2 4.17Å; R103-E175 IonicContact CZ-OE1 2.64Å; R103-E175 IonicContact NE-OE1 3.9Å; R103-E175 PolarHBondContact NE-OE1 3Å; R103-E175 IonicContact NH2-OE1 3.86Å; R103-E175 PolarHBondContact NH2-OE1 3.42Å; R103-K881 PolarHBondContact O-NZ 2.99Å
104	L	94.1	Very high	93.2	Very high	32 Å²	32	28.2 Å²	28.2	17%	0.168	16%	0.156	C	C	.	.	H	α-helix	trans	-68.9	-42.7	-179.6	-68.3	-176.9	0	0	0	111.6	H100 E101 D106 I704 M869 K881	H100-L104 WeakPolarHBondContact NE2-CD1 3.42Å; H100-L104 PolarHBondContact O-N 2.8Å; H100-L104 VanDerWaalsContact O-N 3.11Å; E101-L104 PolarHBondContact O-N 2.84Å; L104-D106 VanDerWaalsContact C-N 3.3Å; L104-D106 PolarHBondContact O-N 3.42Å; L104-I704 HydrophobicContact CD2-CB 4.14Å; L104-I704 HydrophobicContact CD2-CD1 4.13Å; L104-I704 HydrophobicContact CD2-CG1 3.98Å; L104-M869 HydrophobicContact CB-CE 4.18Å; L104-M869 VanDerWaalsContact O-CE 3.24Å; L104-M869 WeakPolarHBondContact O-CE 3.24Å; L104-K881 WeakPolarHBondContact O-CE 3.34Å; L104-K881 PolarHBondContact O-NZ 2.76Å
105	R	92.6	Very high	94	Very high	18 Å²	18	24 Å²	24	7%	0.068	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	3.2	-176.8	-58.5	-173	61.6	-169	2	115.3	E89 E101 M107 S871 S872	E89-R105 IonicContact OE1-CZ 3.61Å; E89-R105 IonicContact OE1-NH1 2.96Å; E89-R105 PolarHBondContact OE1-NH1 3.33Å; E89-R105 IonicContact OE1-NH2 3.29Å; E89-R105 PolarHBondContact OE1-NH2 3.27Å; E101-R105 HydrophobicContact CG-CG 4.05Å; E101-R105 WeakPolarHBondContact O-CB 3.43Å; E101-R105 WeakPolarHBondContact O-CG 3.47Å; E101-R105 PolarHBondContact O-N 3.09Å; E101-R105 WeakPolarHBondContact OE1-CD 3.34Å; E101-R105 IonicContact OE1-CZ 3.43Å; E101-R105 IonicContact OE1-NH1 3.17Å; E101-R105 PolarHBondContact OE1-NH1 3.33Å; R105-M107 HydrophobicContact CB-CG 3.67Å; R105-M107 HydrophobicContact CB-SD 3.81Å; R105-M107 PolarHBondContact O-N 2.87Å; R105-S871 WeakPolarHBondContact CG-OG 3.36Å; R105-S872 PolarHBondContact NE-O 3.07Å; R105-S872 PolarHBondContact NH2-O 2.92Å
106	D	92.6	Very high	94.4	Very high	40 Å²	40	21.4 Å²	21.4	21%	0.214	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	34.4	-172.5	-78.1	-0.5	0	0	0	113.2	C102 L104 K172 K775 L879 K881	C102-D106 PolarHBondContact O-N 3.26Å; L104-D106 VanDerWaalsContact C-N 3.3Å; L104-D106 PolarHBondContact O-N 3.42Å; D106-K172 CarbonylContact O-C 3.54Å; D106-K172 VanDerWaalsContact O-C 3.31Å; D106-K172 VanDerWaalsContact O-CA 3.29Å; D106-K172 WeakPolarHBondContact O-CA 3.4Å; D106-K775 IonicContact OD2-NZ 3.4Å; D106-K775 PolarHBondContact OD2-NZ 3.21Å; D106-L879 HydrophobicContact CB-CD2 4.01Å; D106-K881 WeakPolarHBondContact OD1-CE 2.91Å; D106-K881 IonicContact OD1-NZ 2.74Å; D106-K881 PolarHBondContact OD1-NZ 2.87Å
107	M	91.8	Very high	94.6	Very high	27 Å²	27	16 Å²	16	13%	0.133	9%	0.087	C	C	.	.			trans	-97.9	166.6	-179.6	-59.8	-176.8	73	0	0	112.2	V87 C102 R105 G173 A874	V87-M107 HydrophobicContact CB-CE 4.35Å; V87-M107 HydrophobicContact CG2-CE 3.2Å; V87-M107 HydrophobicContact CG2-SD 4.22Å; C102-M107 HydrophobicContact CB-CB 4.47Å; C102-M107 PolarHBondContact O-N 3.42Å; R105-M107 HydrophobicContact CB-CG 3.67Å; R105-M107 HydrophobicContact CB-SD 3.81Å; R105-M107 PolarHBondContact O-N 2.87Å; M107-G173 PolarHBondContact O-N 2.89Å; M107-A874 HydrophobicContact CE-CB 4.05Å
108	T	94.7	Very high	94.7	Very high	32 Å²	32	16.9 Å²	16.9	20%	0.196	9%	0.091	C	C	.	.			trans	-98.1	127.1	174.6	-60.9	0	0	0	0	109.7	S110 P137 I170 V171 K172 V415	T108-S110 PolarHBondContact O-N 3.39Å; T108-S110 PolarHBondContact O-OG 3.29Å; T108-P137 HydrophobicContact CG2-CB 4.49Å; T108-P137 HydrophobicContact CG2-CG 4.5Å; T108-I170 WeakPolarHBondContact CA-O 3.02Å; T108-V171 HydrophobicContact CG2-CG1 4.46Å; T108-V171 HydrophobicContact CG2-CG2 4.42Å; T108-K172 PolarHBondContact OG1-N 3.33Å; T108-K172 VanDerWaalsContact OG1-N 3.09Å; T108-V415 HydrophobicContact CG2-CG2 4.09Å
109	Y	96.1	Very high	94.6	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	8%	0.084	C	C	.	.			trans	-76.6	104.6	174.6	-175	-103.3	0	0	0	109.2	P85 V97 P99 P137 I138 L140 C145 V146 I170	P85-Y109 HydrophobicContact CB-CD2 4.15Å; P85-Y109 HydrophobicContact CB-CE1 4.08Å; P85-Y109 HydrophobicContact CB-CE2 3.57Å; P85-Y109 HydrophobicContact CG-CD1 4.46Å; P85-Y109 HydrophobicContact CG-CE1 3.67Å; P85-Y109 HydrophobicContact CG-CE2 4.03Å; P85-Y109 VanDerWaalsContact CG-CZ 3.43Å; P85-Y109 WeakPolarHBondContact CG-OH 3.4Å; V97-Y109 HydrophobicContact CG1-CD2 4.16Å; V97-Y109 HydrophobicContact CG1-CE2 4.36Å; V97-Y109 WeakPolarHBondContact O-CE2 3.39Å; P99-Y109 HydrophobicContact CG-CD2 4.26Å; P99-Y109 HydrophobicContact CG-CE2 3.84Å; Y109-P137 WeakPolarHBondContact O-CA 3.17Å; Y109-I138 HydrophobicContact CD1-CB 3.99Å; Y109-I138 HydrophobicContact CD1-CG2 4.46Å; Y109-I138 WeakPolarHBondContact CD1-O 3.48Å; Y109-I138 HydrophobicContact CE1-CB 3.85Å; Y109-I138 HydrophobicContact CE1-CG2 3.88Å; Y109-I138 PolarHBondContact O-N 3.02Å; Y109-I138 VanDerWaalsContact O-N 3.09Å; Y109-L140 HydrophobicContact CD1-CD1 4.31Å; Y109-C145 PolarHBondContact OH-SG 3.23Å; Y109-V146 PolarHBondContact OH-N 3.23Å; Y109-I170 PolarHBondContact N-O 2.86Å
110	S	95.6	Very high	94.2	Very high	11 Å²	11	16.4 Å²	16.4	8%	0.077	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	154.9	-170.3	59.1	0	0	0	0	112.1	P85 D86 T108 R135 M136	P85-S110 WeakPolarHBondContact CA-O 3.45Å; D86-S110 PolarHBondContact N-O 2.91Å; T108-S110 PolarHBondContact O-N 3.39Å; T108-S110 PolarHBondContact O-OG 3.29Å; S110-R135 PolarHBondContact O-NH2 2.98Å; S110-R135 PolarHBondContact OG-NE 3.22Å; S110-R135 VanDerWaalsContact OG-NE 3.08Å; S110-R135 PolarHBondContact OG-NH2 2.96Å; S110-M136 CarbonylContact C-O 3.16Å; S110-M136 WeakPolarHBondContact CA-O 3.31Å; S110-M136 WeakPolarHBondContact CB-O 3.29Å
111	A	95.5	Very high	93.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	150.8	175.1	0	0	0	0	0	110.8	V82 G83 M84 P85 R135 M136 I138	V82-A111 HydrophobicContact CG1-CB 4.38Å; G83-A111 VanDerWaalsContact O-CB 3.31Å; G83-A111 WeakPolarHBondContact O-CB 3.25Å; M84-A111 WeakPolarHBondContact O-CB 3.16Å; P85-A111 HydrophobicContact CG-CB 4.37Å; A111-R135 CarbonylContact O-C 3.45Å; A111-R135 WeakPolarHBondContact O-CA 3.47Å; A111-M136 PolarHBondContact N-O 2.65Å; A111-M136 PolarHBondContact O-N 3.18Å; A111-I138 HydrophobicContact CB-CD1 3.98Å; A111-I138 HydrophobicContact CB-CG1 3.62Å
112	P	95.2	Very high	92.9	Very high	24 Å²	24	20.4 Å²	20.4	16%	0.156	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.3	178	29.3	-32.9	0	0	0	111.2	G83 M84 D86	G83-P112 PolarHBondContact N-O 2.98Å; M84-P112 WeakPolarHBondContact O-CD 3.47Å; D86-P112 WeakPolarHBondContact OD1-CD 3.46Å
113	I	96.3	Very high	92	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	115.4	170.4	-53.3	172.7	0	0	0	106.8	I80 P132 I133 G134 M136 F372 I410	I80-I113 HydrophobicContact CD1-CG2 3.81Å; I80-I113 HydrophobicContact CG1-CG2 3.94Å; I113-P132 WeakPolarHBondContact O-CA 3.42Å; I113-I133 HydrophobicContact CB-CG1 4.14Å; I113-I133 HydrophobicContact CG2-CD1 3.96Å; I113-I133 HydrophobicContact CG2-CG1 3.87Å; I113-I133 PolarHBondContact O-N 2.84Å; I113-G134 PolarHBondContact N-O 3.26Å; I113-M136 HydrophobicContact CD1-CB 3.92Å; I113-M136 HydrophobicContact CD1-CE 3.91Å; I113-M136 HydrophobicContact CG1-CB 3.76Å; I113-F372 HydrophobicContact CD1-CE2 3.88Å; I113-I410 HydrophobicContact CD1-CG2 4.06Å
114	T	95.4	Very high	91.5	Very high	29 Å²	29	32.8 Å²	32.8	18%	0.178	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	143.3	-178.9	54.6	0	0	0	0	110.4	Y81 L131	Y81-T114 PolarHBondContact N-O 3.15Å; Y81-T114 PolarHBondContact O-N 3.37Å; T114-L131 CarbonylContact C-O 3.59Å; T114-L131 WeakPolarHBondContact CA-O 3.3Å
115	V	95.4	Very high	91.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.5	-177.6	70.9	0	0	0	0	110.5	Y77 N79 I80 I117 L131 I133	Y77-V115 HydrophobicContact CD1-CG1 4.41Å; Y77-V115 HydrophobicContact CD1-CG2 3.47Å; Y77-V115 VanDerWaalsContact CD1-CG2 3.47Å; Y77-V115 HydrophobicContact CE1-CG1 4.41Å; Y77-V115 HydrophobicContact CE1-CG2 4.19Å; Y77-V115 HydrophobicContact CG-CG2 4.3Å; N79-V115 WeakPolarHBondContact O-CA 3.21Å; N79-V115 VanDerWaalsContact O-CG2 3.23Å; N79-V115 WeakPolarHBondContact O-CG2 3.3Å; I80-V115 HydrophobicContact CB-CG2 4.42Å; V115-I117 HydrophobicContact CG1-CG2 3.97Å; V115-I117 HydrophobicContact CG2-CG2 4.34Å; V115-L131 HydrophobicContact CG1-CB 4.31Å; V115-L131 PolarHBondContact N-O 3.29Å; V115-L131 PolarHBondContact O-N 2.86Å; V115-I133 HydrophobicContact CB-CD1 4.42Å; V115-I133 HydrophobicContact CG1-CD1 4.41Å; V115-I133 HydrophobicContact CG1-CG2 3.49Å; V115-I133 VanDerWaalsContact CG1-CG2 3.49Å
116	D	95.4	Very high	91.2	Very high	25 Å²	25	41 Å²	41	13%	0.134	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.9	170.7	-60.4	-26.6	0	0	0	108.2	L78 N79 Y81 R128 N129 A130	L78-D116 HydrophobicContact CB-CB 4.06Å; L78-D116 PolarHBondContact N-O 3.4Å; N79-D116 PolarHBondContact O-N 3.14Å; Y81-D116 WeakPolarHBondContact CE2-OD2 2.75Å; D116-R128 WeakPolarHBondContact CA-O 3.3Å; D116-N129 VanDerWaalsContact OD1-CA 3.25Å; D116-N129 WeakPolarHBondContact OD1-CA 3.2Å; D116-A130 PolarHBondContact OD1-N 3.23Å
117	I	94.7	Very high	91.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.6	-177.5	56.7	166.5	0	0	0	112	L75 K76 Y77 V115 Y119 I127 R128 L131 V402 M405	L75-I117 HydrophobicContact CD1-CB 3.74Å; L75-I117 HydrophobicContact CD1-CD1 3.97Å; L75-I117 HydrophobicContact CD1-CG1 4.43Å; L75-I117 HydrophobicContact CD1-CG2 3.91Å; K76-I117 CarbonylContact O-C 3.53Å; K76-I117 WeakPolarHBondContact O-CA 3.37Å; Y77-I117 HydrophobicContact CD1-CG2 3.45Å; Y77-I117 VanDerWaalsContact CD1-CG2 3.45Å; Y77-I117 HydrophobicContact CE1-CG2 3.67Å; V115-I117 HydrophobicContact CG1-CG2 3.97Å; V115-I117 HydrophobicContact CG2-CG2 4.34Å; I117-Y119 HydrophobicContact CD1-CD1 4.04Å; I117-Y119 HydrophobicContact CD1-CE1 4.28Å; I117-Y119 HydrophobicContact CG1-CD1 4.46Å; I117-I127 CarbonylContact O-C 3.59Å; I117-I127 WeakPolarHBondContact O-CA 3.31Å; I117-R128 HydrophobicContact CD1-CB 4.4Å; I117-R128 HydrophobicContact CG1-CB 3.9Å; I117-R128 PolarHBondContact N-O 3.45Å; I117-R128 PolarHBondContact O-N 2.95Å; I117-L131 HydrophobicContact CD1-CD2 3.7Å; I117-L131 HydrophobicContact CG1-CD2 4.36Å; I117-V402 HydrophobicContact CD1-CG2 4.04Å; I117-M405 HydrophobicContact CD1-CE 3.91Å; I117-M405 HydrophobicContact CG2-CE 4.44Å
118	E	94.3	Very high	91.2	Very high	30 Å²	30	48.8 Å²	48.8	14%	0.14	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.5	167.5	178.3	-176.1	-167.9	0	0	107.8	Y74 L75 K76 L78 I126 I127	Y74-E118 HydrophobicContact CE2-CG 4.4Å; Y74-E118 PolarHBondContact OH-OE1 3Å; L75-E118 CarbonylContact C-O 3.59Å; K76-E118 HydrophobicContact CB-CB 4.36Å; K76-E118 PolarHBondContact N-O 2.79Å; K76-E118 PolarHBondContact O-N 3.32Å; L78-E118 HydrophobicContact CD1-CB 4.32Å; L78-E118 HydrophobicContact CD2-CB 4.27Å; L78-E118 HydrophobicContact CG-CB 4.27Å; E118-I126 WeakPolarHBondContact CA-O 3.3Å; E118-I127 HydrophobicContact CB-CG1 4.44Å; E118-I127 HydrophobicContact CG-CG1 4.37Å
119	Y	91.9	Very high	91.1	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159.4	178.5	72.3	-73.6	0	0	0	112.6	Y74 I117 R121 I126 R128 D400 V401 V402	Y74-Y119 VanDerWaalsContact O-CA 3.27Å; Y74-Y119 WeakPolarHBondContact O-CA 3.45Å; Y74-Y119 WeakPolarHBondContact O-CB 3.4Å; I117-Y119 HydrophobicContact CD1-CD1 4.04Å; I117-Y119 HydrophobicContact CD1-CE1 4.28Å; I117-Y119 HydrophobicContact CG1-CD1 4.46Å; Y119-R121 HydrophobicContact CE2-CB 4.32Å; Y119-I126 HydrophobicContact CD1-CB 4.38Å; Y119-I126 HydrophobicContact CE1-CB 3.98Å; Y119-I126 HydrophobicContact CE1-CG2 3.85Å; Y119-I126 PolarHBondContact N-O 3.44Å; Y119-I126 PolarHBondContact O-N 3.48Å; Y119-R128 HydrophobicContact CE1-CG 4.08Å; Y119-D400 VanDerWaalsContact CE2-OD1 3.3Å; Y119-D400 WeakPolarHBondContact CE2-OD1 3.44Å; Y119-D400 VanDerWaalsContact CZ-OD1 3.27Å; Y119-D400 PolarHBondContact OH-OD1 2.76Å; Y119-V401 HydrophobicContact CD1-CG1 4.48Å; Y119-V401 HydrophobicContact CD2-CG1 3.79Å; Y119-V401 HydrophobicContact CE2-CG1 4.1Å; Y119-V401 HydrophobicContact CG-CG1 3.98Å; Y119-V402 HydrophobicContact CE1-CG2 3.99Å
120	T	87.9	Confident	90.9	Very high	10 Å²	10	55.7 Å²	55.7	6%	0.061	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.6	176.9	48.3	0	0	0	0	111.2	W73 Y74 Q124	W73-T120 VanDerWaalsContact CA-OG1 3.28Å; W73-T120 WeakPolarHBondContact CA-OG1 3.36Å; W73-T120 VanDerWaalsContact CD1-OG1 3.31Å; W73-T120 PolarHBondContact NE1-O 3.06Å; Y74-T120 HydrophobicContact CD1-CG2 3.59Å; Y74-T120 HydrophobicContact CE1-CG2 3.34Å; Y74-T120 HydrophobicContact CG-CG2 4.49Å; Y74-T120 PolarHBondContact N-OG1 3.45Å; Y74-T120 PolarHBondContact O-N 3.06Å; Y74-T120 VanDerWaalsContact O-N 3.1Å; Y74-T120 PolarHBondContact O-OG1 3.39Å; T120-Q124 WeakPolarHBondContact CA-O 3.46Å
121	R	83.7	Confident	90.7	Very high	88 Å²	88	56.5 Å²	56.5	33%	0.332	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	103.1	168.7	-171.6	-179.8	177.4	-170.2	-4.5	107.9	Y119 S123 Q124 I126 Q398	Y119-R121 HydrophobicContact CE2-CB 4.32Å; R121-S123 PolarHBondContact O-N 3.23Å; R121-Q124 PolarHBondContact N-O 2.97Å; R121-Q124 PolarHBondContact O-N 3.11Å; R121-I126 HydrophobicContact CB-CD1 3.55Å; R121-I126 HydrophobicContact CB-CG1 4.34Å; R121-I126 HydrophobicContact CG-CD1 4.26Å; R121-Q398 HydrophobicContact CG-CB 4.15Å
122	G	78.1	Confident	90.6	Very high	48 Å²	48	58.7 Å²	58.7	50%	0.495	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	-127.9	-163.3	0	0	0	0	0	110.1
123	S	75.3	Confident	90.6	Very high	131 Å²	131	57.5 Å²	57.5	92%	0.916	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-3	178.4	-49.6	0	0	0	0	114.4	R121	R121-S123 PolarHBondContact O-N 3.23Å
124	Q	85.6	Confident	90.5	Very high	142 Å²	142	57.6 Å²	57.6	66%	0.664	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	139	-176.2	-66.3	-177.5	-3.4	0	0	111.7	T120 R121	T120-Q124 WeakPolarHBondContact CA-O 3.46Å; R121-Q124 PolarHBondContact N-O 2.97Å; R121-Q124 PolarHBondContact O-N 3.11Å
125	R	88.3	Confident	90.4	Very high	184 Å²	184	58.3 Å²	58.3	69%	0.694	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	124	170.2	-62.2	-175.7	-173.5	-178	4.7	109.1
126	I	91.6	Very high	90.5	Very high	37 Å²	37	58.3 Å²	58.3	19%	0.19	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.1	180	-58.7	-177.2	0	0	0	108.5	E118 Y119 R121 R128	E118-I126 WeakPolarHBondContact CA-O 3.3Å; Y119-I126 HydrophobicContact CD1-CB 4.38Å; Y119-I126 HydrophobicContact CE1-CB 3.98Å; Y119-I126 HydrophobicContact CE1-CG2 3.85Å; Y119-I126 PolarHBondContact N-O 3.44Å; Y119-I126 PolarHBondContact O-N 3.48Å; R121-I126 HydrophobicContact CB-CD1 3.55Å; R121-I126 HydrophobicContact CB-CG1 4.34Å; R121-I126 HydrophobicContact CG-CD1 4.26Å; I126-R128 HydrophobicContact CG2-CG 4.42Å
127	I	92.5	Very high	90.6	Very high	98 Å²	98	57.2 Å²	57.2	50%	0.503	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134	173.1	-56.8	173.2	0	0	0	108.3	L78 I117 E118	L78-I127 HydrophobicContact CD1-CG2 4.19Å; I117-I127 CarbonylContact O-C 3.59Å; I117-I127 WeakPolarHBondContact O-CA 3.31Å; E118-I127 HydrophobicContact CB-CG1 4.44Å; E118-I127 HydrophobicContact CG-CG1 4.37Å
128	R	92.1	Very high	90.7	Very high	133 Å²	133	57.2 Å²	57.2	50%	0.502	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.7	170.9	-69	-67.8	-168.2	170.6	0.5	108.6	D116 I117 Y119 I126 V402	D116-R128 WeakPolarHBondContact CA-O 3.3Å; I117-R128 HydrophobicContact CD1-CB 4.4Å; I117-R128 HydrophobicContact CG1-CB 3.9Å; I117-R128 PolarHBondContact N-O 3.45Å; I117-R128 PolarHBondContact O-N 2.95Å; Y119-R128 HydrophobicContact CE1-CG 4.08Å; I126-R128 HydrophobicContact CG2-CG 4.42Å; R128-V402 HydrophobicContact CG-CG2 4.47Å
129	N	93	Very high	90.9	Very high	117 Å²	117	55.8 Å²	55.8	63%	0.626	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	151.5	179	-59.7	-24.3	0	0	0	110.6	D116 L131	D116-N129 VanDerWaalsContact OD1-CA 3.25Å; D116-N129 WeakPolarHBondContact OD1-CA 3.2Å; N129-L131 VanDerWaalsContact C-N 3.32Å; N129-L131 PolarHBondContact O-N 3.22Å
130	A	90.6	Very high	91.1	Very high	61 Å²	61	55.8 Å²	55.8	50%	0.504	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.8	41	172.6	0	0	0	0	0	114.7	D116 P132	D116-A130 PolarHBondContact OD1-N 3.23Å; A130-P132 WeakPolarHBondContact O-CD 3.48Å
131	L	92.4	Very high	91.4	Very high	29 Å²	29	58.2 Å²	58.2	15%	0.152	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	122.1	177.8	-174.1	70.6	0	0	0	110.4	T114 V115 I117 N129 I133 V402 M405	T114-L131 CarbonylContact C-O 3.59Å; T114-L131 WeakPolarHBondContact CA-O 3.3Å; V115-L131 HydrophobicContact CG1-CB 4.31Å; V115-L131 PolarHBondContact N-O 3.29Å; V115-L131 PolarHBondContact O-N 2.86Å; I117-L131 HydrophobicContact CD1-CD2 3.7Å; I117-L131 HydrophobicContact CG1-CD2 4.36Å; N129-L131 VanDerWaalsContact C-N 3.32Å; N129-L131 PolarHBondContact O-N 3.22Å; L131-I133 PolarHBondContact O-N 3.18Å; L131-V402 HydrophobicContact CD1-CG1 3.81Å; L131-V402 HydrophobicContact CD2-CG1 4.27Å; L131-V402 HydrophobicContact CD2-CG2 4.44Å; L131-M405 HydrophobicContact CD2-CE 4.2Å; L131-M405 HydrophobicContact CD2-CG 4.47Å; L131-M405 HydrophobicContact CD2-SD 3.32Å; L131-M405 WeakPolarHBondContact CD2-SD 3.34Å; L131-M405 HydrophobicContact CG-SD 4.44Å
132	P	92.8	Very high	92	Very high	45 Å²	45	54 Å²	54	29%	0.292	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	124.1	176.2	26.8	-32.8	0	0	0	111.3	I113 A130 Q407	I113-P132 WeakPolarHBondContact O-CA 3.42Å; A130-P132 WeakPolarHBondContact O-CD 3.48Å; P132-Q407 WeakPolarHBondContact O-CG 3.26Å; P132-Q407 PolarHBondContact O-NE2 3.28Å
133	I	94.4	Very high	92.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-7.6	177	56.6	168.4	0	0	0	113.3	I80 I113 V115 L131 F376 F379 M405 Q407 I410	I80-I133 HydrophobicContact CD1-CD1 4.18Å; I113-I133 HydrophobicContact CB-CG1 4.14Å; I113-I133 HydrophobicContact CG2-CD1 3.96Å; I113-I133 HydrophobicContact CG2-CG1 3.87Å; I113-I133 PolarHBondContact O-N 2.84Å; V115-I133 HydrophobicContact CB-CD1 4.42Å; V115-I133 HydrophobicContact CG1-CD1 4.41Å; V115-I133 HydrophobicContact CG1-CG2 3.49Å; V115-I133 VanDerWaalsContact CG1-CG2 3.49Å; L131-I133 PolarHBondContact O-N 3.18Å; I133-F376 HydrophobicContact CD1-CD2 4.45Å; I133-F376 HydrophobicContact CD1-CE2 4.06Å; I133-F379 HydrophobicContact CB-CZ 4.45Å; I133-F379 HydrophobicContact CG2-CE1 4.39Å; I133-F379 HydrophobicContact CG2-CZ 4.27Å; I133-M405 HydrophobicContact CG2-SD 3.99Å; I133-Q407 WeakPolarHBondContact O-CA 3.32Å; I133-I410 HydrophobicContact CB-CD1 4.42Å; I133-I410 HydrophobicContact CD1-CD1 4.11Å; I133-I410 HydrophobicContact CG1-CD1 4.31Å
134	G	94.5	Very high	93.7	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.6	-173.9	179.6	0	0	0	0	0	111.6	I113 T411	I113-G134 PolarHBondContact N-O 3.26Å; G134-T411 WeakPolarHBondContact CA-OG1 3.49Å
135	R	94.9	Very high	94.2	Very high	44 Å²	44	42.1 Å²	42.1	17%	0.166	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.5	179.9	-54.9	-177.9	63.2	82.3	8.5	111.3	D86 S110 A111 T411	D86-R135 PolarHBondContact O-NH2 3.17Å; D86-R135 IonicContact OD1-CZ 3.93Å; D86-R135 IonicContact OD1-NH1 2.79Å; D86-R135 PolarHBondContact OD1-NH1 3.08Å; D86-R135 IonicContact OD1-NH2 2.6Å; D86-R135 PolarHBondContact OD1-NH2 2.87Å; S110-R135 PolarHBondContact O-NH2 2.98Å; S110-R135 PolarHBondContact OG-NE 3.22Å; S110-R135 VanDerWaalsContact OG-NE 3.08Å; S110-R135 PolarHBondContact OG-NH2 2.96Å; A111-R135 CarbonylContact O-C 3.45Å; A111-R135 WeakPolarHBondContact O-CA 3.47Å; R135-T411 HydrophobicContact CB-CG2 3.99Å; R135-T411 HydrophobicContact CG-CG2 4.41Å; R135-T411 PolarHBondContact N-OG1 2.91Å
136	M	96.6	Very high	94.6	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.1	176.9	-177	58.8	70.5	0	0	109.8	F50 V82 S110 A111 I113 I138 F372 M414	F50-M136 HydrophobicContact CE1-CE 3.74Å; F50-M136 HydrophobicContact CE1-SD 4.11Å; F50-M136 HydrophobicContact CZ-CE 3.78Å; V82-M136 HydrophobicContact CG1-CB 4.17Å; V82-M136 HydrophobicContact CG1-CG 4.39Å; S110-M136 CarbonylContact C-O 3.16Å; S110-M136 WeakPolarHBondContact CA-O 3.31Å; S110-M136 WeakPolarHBondContact CB-O 3.29Å; A111-M136 PolarHBondContact N-O 2.65Å; A111-M136 PolarHBondContact O-N 3.18Å; I113-M136 HydrophobicContact CD1-CB 3.92Å; I113-M136 HydrophobicContact CD1-CE 3.91Å; I113-M136 HydrophobicContact CG1-CB 3.76Å; M136-I138 HydrophobicContact CB-CD1 4.38Å; M136-I138 HydrophobicContact CG-CD1 4.08Å; M136-I138 PolarHBondContact O-N 3.41Å; M136-F372 HydrophobicContact CE-CD2 3.96Å; M136-F372 HydrophobicContact CE-CE2 4.41Å; M136-M414 HydrophobicContact CE-CE 4.03Å; M136-M414 HydrophobicContact SD-CE 3.63Å
137	P	97.3	Very high	94.7	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	123.2	167.2	-23.3	35.5	0	0	0	110.4	T108 Y109 F169 M414 V415 I418	T108-P137 HydrophobicContact CG2-CB 4.49Å; T108-P137 HydrophobicContact CG2-CG 4.5Å; Y109-P137 WeakPolarHBondContact O-CA 3.17Å; P137-F169 HydrophobicContact CB-CD1 4.14Å; P137-F169 WeakPolarHBondContact O-CE1 3.47Å; P137-M414 HydrophobicContact CG-CB 4.14Å; P137-V415 HydrophobicContact CG-CG2 4.36Å; P137-I418 HydrophobicContact CB-CD1 4.11Å; P137-I418 HydrophobicContact CG-CD1 4.08Å
138	I	97.6	Very high	94.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-94.4	132.8	-176.6	-62.9	-56.4	0	0	0	110.1	F47 V82 P85 Y109 A111 M136 S142 C145	F47-I138 HydrophobicContact CE1-CD1 4.32Å; F47-I138 HydrophobicContact CZ-CD1 4.16Å; V82-I138 HydrophobicContact CG1-CD1 3.77Å; P85-I138 HydrophobicContact CG-CB 4.13Å; P85-I138 HydrophobicContact CG-CG1 3.98Å; P85-I138 HydrophobicContact CG-CG2 4.25Å; Y109-I138 HydrophobicContact CD1-CB 3.99Å; Y109-I138 HydrophobicContact CD1-CG2 4.46Å; Y109-I138 WeakPolarHBondContact CD1-O 3.48Å; Y109-I138 HydrophobicContact CE1-CB 3.85Å; Y109-I138 HydrophobicContact CE1-CG2 3.88Å; Y109-I138 PolarHBondContact O-N 3.02Å; Y109-I138 VanDerWaalsContact O-N 3.09Å; A111-I138 HydrophobicContact CB-CD1 3.98Å; A111-I138 HydrophobicContact CB-CG1 3.62Å; M136-I138 HydrophobicContact CB-CD1 4.38Å; M136-I138 HydrophobicContact CG-CD1 4.08Å; M136-I138 PolarHBondContact O-N 3.41Å; I138-S142 VanDerWaalsContact CG2-OG 3.3Å; I138-S142 WeakPolarHBondContact CG2-OG 3.44Å; I138-C145 HydrophobicContact CG2-CB 4.4Å
139	M	97.5	Very high	94.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-72.7	136.2	175.2	-172.4	-177.4	-75.7	0	0	110.3	H43 I44 F47 R141 S142 G167 F169 A364	H43-M139 HydrophobicContact CB-CE 4.18Å; H43-M139 HydrophobicContact CB-SD 3.99Å; I44-M139 HydrophobicContact CG1-SD 4.37Å; F47-M139 HydrophobicContact CB-CB 4.5Å; F47-M139 HydrophobicContact CB-CE 3.85Å; F47-M139 HydrophobicContact CB-SD 3.96Å; F47-M139 HydrophobicContact CD1-CB 3.74Å; F47-M139 HydrophobicContact CD2-CB 4.34Å; F47-M139 HydrophobicContact CD2-CE 4.34Å; F47-M139 HydrophobicContact CE1-CB 3.96Å; F47-M139 HydrophobicContact CG-CB 3.93Å; F47-M139 HydrophobicContact CG-CE 4.19Å; F47-M139 HydrophobicContact CG-SD 4.38Å; F47-M139 HydrophobicContact CZ-CB 4.36Å; M139-R141 PolarHBondContact O-N 2.97Å; M139-S142 VanDerWaalsContact O-CB 3.31Å; M139-S142 WeakPolarHBondContact O-CB 3.5Å; M139-S142 PolarHBondContact O-N 3.09Å; M139-S142 PolarHBondContact O-OG 3.39Å; M139-G167 VanDerWaalsContact CG-C 3.4Å; M139-G167 VanDerWaalsContact SD-C 3.56Å; M139-G167 VanDerWaalsContact SD-CA 3.54Å; M139-F169 HydrophobicContact CB-CD1 4.29Å; M139-F169 HydrophobicContact CB-CE1 3.72Å; M139-F169 HydrophobicContact CB-CZ 3.89Å; M139-F169 HydrophobicContact CE-CE1 4.49Å; M139-F169 HydrophobicContact CE-CE2 3.58Å; M139-F169 HydrophobicContact CE-CZ 3.5Å; M139-F169 HydrophobicContact CG-CE1 4.5Å; M139-F169 HydrophobicContact CG-CZ 4.32Å; M139-A364 HydrophobicContact CE-CB 3.81Å
140	L	96.6	Very high	94.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	137.5	178	-86.9	70.5	0	0	0	111	P99 Y109 S142 L147 G167 Y168 I170	P99-L140 HydrophobicContact CB-CD1 4.48Å; P99-L140 HydrophobicContact CB-CD2 3.92Å; P99-L140 HydrophobicContact CB-CG 4.24Å; P99-L140 HydrophobicContact CG-CD2 4.32Å; P99-L140 HydrophobicContact CG-CG 4.26Å; Y109-L140 HydrophobicContact CD1-CD1 4.31Å; L140-S142 PolarHBondContact O-N 3.09Å; L140-L147 HydrophobicContact CD2-CD1 4.3Å; L140-L147 HydrophobicContact CG-CD1 4.46Å; L140-G167 PolarHBondContact O-N 3.4Å; L140-Y168 HydrophobicContact CD1-CE2 4.43Å; L140-Y168 HydrophobicContact CD2-CE1 4.36Å; L140-Y168 HydrophobicContact CD2-CE2 3.92Å; L140-Y168 PolarHBondContact N-O 2.92Å; L140-I170 HydrophobicContact CD1-CD1 3.73Å; L140-I170 HydrophobicContact CD1-CG1 3.84Å; L140-I170 HydrophobicContact CD2-CD1 4.12Å
141	R	95.1	Very high	94.9	Very high	61 Å²	61	30 Å²	30	23%	0.23	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	12.8	-174.3	-56.9	-172.4	172.6	-159	-6	115.9	I44 M139 C145 L147 T148 C161 P162 D164	I44-R141 HydrophobicContact CD1-CB 4.01Å; M139-R141 PolarHBondContact O-N 2.97Å; R141-C145 PolarHBondContact N-SG 3.11Å; R141-C145 VanDerWaalsContact N-SG 3.35Å; R141-L147 HydrophobicContact CG-CB 4.42Å; R141-T148 PolarHBondContact O-OG1 3.09Å; R141-C161 PolarHBondContact NH2-O 3.07Å; R141-P162 PolarHBondContact NH2-O 3.3Å; R141-D164 PolarHBondContact NE-O 3.49Å; R141-D164 PolarHBondContact NH1-O 2.67Å; R141-D164 PolarHBondContact NH2-O 3.35Å
142	S	95.5	Very high	95	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-66.7	172.5	163.1	61.6	0	0	0	0	111.9	N48 I138 M139 L140 N144 C145 T148	N48-S142 WeakPolarHBondContact OD1-CA 3.37Å; N48-S142 WeakPolarHBondContact OD1-CB 3.36Å; I138-S142 VanDerWaalsContact CG2-OG 3.3Å; I138-S142 WeakPolarHBondContact CG2-OG 3.44Å; M139-S142 VanDerWaalsContact O-CB 3.31Å; M139-S142 WeakPolarHBondContact O-CB 3.5Å; M139-S142 PolarHBondContact O-N 3.09Å; M139-S142 PolarHBondContact O-OG 3.39Å; L140-S142 PolarHBondContact O-N 3.09Å; S142-N144 PolarHBondContact O-N 3.01Å; S142-C145 WeakPolarHBondContact O-CB 2.99Å; S142-C145 PolarHBondContact O-N 3.43Å; S142-C145 VanDerWaalsContact O-N 3.09Å; S142-T148 PolarHBondContact O-OG1 3.31Å; S142-T148 VanDerWaalsContact O-OG1 3.08Å
143	S	94.5	Very high	95.1	Very high	45 Å²	45	37.4 Å²	37.4	32%	0.315	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.6	180	58.3	0	0	0	0	113.1	N48	N48-S143 PolarHBondContact OD1-N 3.34Å; N48-S143 PolarHBondContact OD1-OG 3.06Å
144	N	95.4	Very high	95.1	Very high	21 Å²	21	40.4 Å²	40.4	11%	0.112	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	4.1	-178.9	-65	20.6	0	0	0	112.8	V82 G83 M84 P85 S142	V82-N144 PolarHBondContact O-ND2 3.46Å; G83-N144 PolarHBondContact O-ND2 3.49Å; G83-N144 VanDerWaalsContact O-ND2 3.12Å; M84-N144 HydrophobicContact SD-CB 4.08Å; M84-N144 VanDerWaalsContact SD-O 3.38Å; P85-N144 WeakPolarHBondContact CD-O 3.5Å; S142-N144 PolarHBondContact O-N 3.01Å
145	C	96	Very high	95.1	Very high	6 Å²	6	40.9 Å²	40.9	4%	0.041	24%	0.237	C	C	.	.	S	Bend	trans	-84.3	138.2	177.1	-176.8	0	0	0	0	110.8	Y109 I138 R141 S142 L147 T148	Y109-C145 PolarHBondContact OH-SG 3.23Å; I138-C145 HydrophobicContact CG2-CB 4.4Å; R141-C145 PolarHBondContact N-SG 3.11Å; R141-C145 VanDerWaalsContact N-SG 3.35Å; S142-C145 WeakPolarHBondContact O-CB 2.99Å; S142-C145 PolarHBondContact O-N 3.43Å; S142-C145 VanDerWaalsContact O-N 3.09Å; C145-L147 PolarHBondContact O-N 3.01Å; C145-T148 PolarHBondContact O-N 3.48Å
146	V	95.1	Very high	95	Very high	60 Å²	60	42.5 Å²	42.5	36%	0.364	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.3	177.9	69.1	0	0	0	0	114.2	Y109 K150 L158	Y109-V146 PolarHBondContact OH-N 3.23Å; V146-K150 VanDerWaalsContact O-CG 3.32Å; V146-K150 WeakPolarHBondContact O-CG 3.5Å; V146-L158 HydrophobicContact CG1-CD1 4.4Å; V146-L158 HydrophobicContact CG2-CD1 4.28Å
147	L	94.3	Very high	94.9	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.042	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.8	-177.6	-57.6	-178.3	0	0	0	113.9	P99 L140 R141 C145 F155 L158 E160	P99-L147 HydrophobicContact CG-CD1 3.97Å; P99-L147 HydrophobicContact CG-CG 4.19Å; L140-L147 HydrophobicContact CD2-CD1 4.3Å; L140-L147 HydrophobicContact CG-CD1 4.46Å; R141-L147 HydrophobicContact CG-CB 4.42Å; C145-L147 PolarHBondContact O-N 3.01Å; L147-F155 HydrophobicContact CB-CE1 3.94Å; L147-F155 HydrophobicContact CB-CZ 4.26Å; L147-F155 HydrophobicContact CD1-CE1 4.4Å; L147-F155 HydrophobicContact CD2-CD1 4.17Å; L147-F155 HydrophobicContact CD2-CE1 3.87Å; L147-F155 HydrophobicContact CG-CE1 4.28Å; L147-F155 WeakPolarHBondContact O-CZ 3.44Å; L147-L158 HydrophobicContact CD2-CB 4.48Å; L147-L158 HydrophobicContact CD2-CD1 3.81Å; L147-E160 HydrophobicContact CD1-CG 4.33Å; L147-E160 HydrophobicContact CD2-CB 4.2Å; L147-E160 HydrophobicContact CD2-CG 4.05Å
148	T	93.1	Very high	94.7	Very high	68 Å²	68	52.2 Å²	52.2	42%	0.417	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	136.2	-177.8	-99.8	0	0	0	0	110.9	R141 S142 C145 K150	R141-T148 PolarHBondContact O-OG1 3.09Å; S142-T148 PolarHBondContact O-OG1 3.31Å; S142-T148 VanDerWaalsContact O-OG1 3.08Å; C145-T148 PolarHBondContact O-N 3.48Å; T148-K150 PolarHBondContact O-N 3.35Å
149	G	90.1	Very high	94.7	Very high	82 Å²	82	55.2 Å²	55.2	85%	0.845	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	10.9	178.1	0	0	0	0	0	115.5
150	K	93.8	Very high	94.6	Very high	82 Å²	82	55.6 Å²	55.6	36%	0.357	32%	0.317	S	S	.	.			trans	-87.2	146	-178	-65.5	-59.3	-173	-176.7	0	113.2	V146 T148 E154 F155	V146-K150 VanDerWaalsContact O-CG 3.32Å; V146-K150 WeakPolarHBondContact O-CG 3.5Å; T148-K150 PolarHBondContact O-N 3.35Å; K150-E154 WeakPolarHBondContact CA-OE2 3.01Å; K150-E154 HydrophobicContact CB-CB 4.22Å; K150-E154 HydrophobicContact CD-CB 4.09Å; K150-E154 VanDerWaalsContact CD-CD 3.47Å; K150-E154 HydrophobicContact CD-CG 4.42Å; K150-E154 WeakPolarHBondContact CD-OE1 3.34Å; K150-E154 VanDerWaalsContact CD-OE2 3.26Å; K150-E154 WeakPolarHBondContact CD-OE2 3.1Å; K150-E154 IonicContact NZ-OE1 3.08Å; K150-E154 PolarHBondContact NZ-OE1 3.2Å; K150-F155 HydrophobicContact CB-CD2 4.13Å; K150-F155 HydrophobicContact CB-CE2 3.84Å; K150-F155 HydrophobicContact CB-CZ 4.3Å; K150-F155 WeakPolarHBondContact O-CE2 3.44Å
151	T	95.8	Very high	94.5	Very high	74 Å²	74	55.8 Å²	55.8	45%	0.454	32%	0.318	S	S	.	.			trans	-81.5	157.4	173.3	62.5	0	0	0	0	111.4	M153 E154 F155	T151-M153 PolarHBondContact O-N 3.18Å; T151-M153 VanDerWaalsContact O-N 3.08Å; T151-E154 PolarHBondContact N-OE2 2.88Å; T151-E154 PolarHBondContact O-N 2.91Å; T151-E154 WeakPolarHBondContact OG1-CG 3.38Å; T151-E154 PolarHBondContact OG1-OE2 3Å; T151-F155 VanDerWaalsContact O-CD2 3.27Å; T151-F155 WeakPolarHBondContact O-CD2 3.46Å; T151-F155 PolarHBondContact O-N 2.63Å
152	P	94.1	Very high	94.5	Very high	93 Å²	93	54.4 Å²	54.4	60%	0.604	32%	0.317	S	S	*	.	H	α-helix	trans	-53.1	-31.2	177.7	-29.1	36.6	0	0	0	114.8	F155 S156 P162	P152-F155 WeakPolarHBondContact O-CB 3.37Å; P152-F155 PolarHBondContact O-N 3.24Å; P152-S156 PolarHBondContact O-N 3.23Å; P152-P162 HydrophobicContact CB-CG 4.02Å
153	M	94.2	Very high	94.4	Very high	137 Å²	137	55.4 Å²	55.4	68%	0.675	32%	0.323	S	S	*	.	H	α-helix	trans	-70.9	-39.8	176.9	-172.7	61.4	-178.9	0	0	112.2	T151 F155 S156 K157	T151-M153 PolarHBondContact O-N 3.18Å; T151-M153 VanDerWaalsContact O-N 3.08Å; M153-F155 VanDerWaalsContact C-N 3.32Å; M153-S156 WeakPolarHBondContact O-CB 3.31Å; M153-S156 PolarHBondContact O-N 2.96Å; M153-K157 PolarHBondContact O-N 3Å
154	E	95	Very high	94.4	Very high	63 Å²	63	53.9 Å²	53.9	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-67.6	-34.8	174.5	-66.8	173.7	111.2	0	0	111.8	K150 T151 S156 K157 L158	K150-E154 WeakPolarHBondContact CA-OE2 3.01Å; K150-E154 HydrophobicContact CB-CB 4.22Å; K150-E154 HydrophobicContact CD-CB 4.09Å; K150-E154 VanDerWaalsContact CD-CD 3.47Å; K150-E154 HydrophobicContact CD-CG 4.42Å; K150-E154 WeakPolarHBondContact CD-OE1 3.34Å; K150-E154 VanDerWaalsContact CD-OE2 3.26Å; K150-E154 WeakPolarHBondContact CD-OE2 3.1Å; K150-E154 IonicContact NZ-OE1 3.08Å; K150-E154 PolarHBondContact NZ-OE1 3.2Å; T151-E154 PolarHBondContact N-OE2 2.88Å; T151-E154 PolarHBondContact O-N 2.91Å; T151-E154 WeakPolarHBondContact OG1-CG 3.38Å; T151-E154 PolarHBondContact OG1-OE2 3Å; E154-S156 PolarHBondContact O-N 3.08Å; E154-K157 WeakPolarHBondContact O-CB 3.36Å; E154-K157 PolarHBondContact O-N 3.41Å; E154-L158 PolarHBondContact O-N 2.93Å
155	F	94.3	Very high	94.3	Very high	12 Å²	12	53.6 Å²	53.6	5%	0.053	31%	0.31	C	S	.	.	H	α-helix	trans	-57.9	-36.9	171.7	-86	-76.5	0	0	0	112.5	L147 K150 T151 P152 M153 L158 N159 E160 P162	L147-F155 HydrophobicContact CB-CE1 3.94Å; L147-F155 HydrophobicContact CB-CZ 4.26Å; L147-F155 HydrophobicContact CD1-CE1 4.4Å; L147-F155 HydrophobicContact CD2-CD1 4.17Å; L147-F155 HydrophobicContact CD2-CE1 3.87Å; L147-F155 HydrophobicContact CG-CE1 4.28Å; L147-F155 WeakPolarHBondContact O-CZ 3.44Å; K150-F155 HydrophobicContact CB-CD2 4.13Å; K150-F155 HydrophobicContact CB-CE2 3.84Å; K150-F155 HydrophobicContact CB-CZ 4.3Å; K150-F155 WeakPolarHBondContact O-CE2 3.44Å; T151-F155 VanDerWaalsContact O-CD2 3.27Å; T151-F155 WeakPolarHBondContact O-CD2 3.46Å; T151-F155 PolarHBondContact O-N 2.63Å; P152-F155 WeakPolarHBondContact O-CB 3.37Å; P152-F155 PolarHBondContact O-N 3.24Å; M153-F155 VanDerWaalsContact C-N 3.32Å; F155-L158 CarbonylContact O-C 3.54Å; F155-L158 PolarHBondContact O-N 2.92Å; F155-N159 PolarHBondContact O-N 3.02Å; F155-E160 HydrophobicContact CD1-CB 3.78Å; F155-E160 HydrophobicContact CE1-CB 4.44Å; F155-E160 PolarHBondContact O-N 2.65Å; F155-P162 HydrophobicContact CB-CG 3.92Å; F155-P162 HydrophobicContact CD2-CB 4.16Å; F155-P162 HydrophobicContact CD2-CG 4.06Å; F155-P162 HydrophobicContact CG-CB 4.45Å; F155-P162 HydrophobicContact CG-CG 4.02Å
156	S	93	Very high	94.2	Very high	77 Å²	77	53.3 Å²	53.3	54%	0.538	31%	0.308	S	S	.	.	H	α-helix	trans	-61.7	-43.7	175.9	-179.1	0	0	0	0	111.9	P152 M153 E154 L158 N159	P152-S156 PolarHBondContact O-N 3.23Å; M153-S156 WeakPolarHBondContact O-CB 3.31Å; M153-S156 PolarHBondContact O-N 2.96Å; E154-S156 PolarHBondContact O-N 3.08Å; S156-L158 PolarHBondContact O-N 3.28Å; S156-N159 PolarHBondContact O-N 3.12Å
157	K	94.3	Very high	94.2	Very high	166 Å²	166	50.5 Å²	50.5	72%	0.722	29%	0.291	S	S	*	.	H	α-helix	trans	-60.4	-33.6	175.4	-63.9	-177	179.4	179.4	0	112.4	M153 E154 N159	M153-K157 PolarHBondContact O-N 3Å; E154-K157 WeakPolarHBondContact O-CB 3.36Å; E154-K157 PolarHBondContact O-N 3.41Å; K157-N159 VanDerWaalsContact C-N 3.32Å
158	L	94.3	Very high	94.3	Very high	40 Å²	40	50.1 Å²	50.1	21%	0.209	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	2.5	177.9	-61.1	175.8	0	0	0	113.5	V146 L147 E154 F155 S156 E160	V146-L158 HydrophobicContact CG1-CD1 4.4Å; V146-L158 HydrophobicContact CG2-CD1 4.28Å; L147-L158 HydrophobicContact CD2-CB 4.48Å; L147-L158 HydrophobicContact CD2-CD1 3.81Å; E154-L158 PolarHBondContact O-N 2.93Å; F155-L158 CarbonylContact O-C 3.54Å; F155-L158 PolarHBondContact O-N 2.92Å; S156-L158 PolarHBondContact O-N 3.28Å; L158-E160 VanDerWaalsContact C-N 3.26Å; L158-E160 PolarHBondContact O-N 3.42Å
159	N	95.9	Very high	94.6	Very high	64 Å²	64	46.9 Å²	46.9	34%	0.342	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	36.1	-177.2	-69.4	-61.2	0	0	0	114.2	H100 F155 S156 K157 N699 N702	H100-N159 HydrophobicContact CB-CB 4.17Å; F155-N159 PolarHBondContact O-N 3.02Å; S156-N159 PolarHBondContact O-N 3.12Å; K157-N159 VanDerWaalsContact C-N 3.32Å; N159-N699 VanDerWaalsContact O-CB 3.29Å; N159-N699 WeakPolarHBondContact O-CB 3.43Å; N159-N699 PolarHBondContact O-ND2 2.88Å; N159-N702 PolarHBondContact OD1-ND2 3.42Å
160	E	96.3	Very high	94.9	Very high	8 Å²	8	43 Å²	43	4%	0.037	23%	0.229	C	C	.	.			trans	-118	156.2	-177.3	-79.2	-69.7	-165.7	0	0	113.8	R103 L147 F155 L158 N699	R103-E160 IonicContact CZ-OE1 2.68Å; R103-E160 IonicContact NH1-OE1 3.46Å; R103-E160 PolarHBondContact NH1-OE1 3.07Å; R103-E160 IonicContact NH1-OE2 3.62Å; R103-E160 IonicContact NH2-OE1 3.05Å; R103-E160 PolarHBondContact NH2-OE1 2.88Å; R103-E160 IonicContact NH2-OE2 2.89Å; L147-E160 HydrophobicContact CD1-CG 4.33Å; L147-E160 HydrophobicContact CD2-CB 4.2Å; L147-E160 HydrophobicContact CD2-CG 4.05Å; F155-E160 HydrophobicContact CD1-CB 3.78Å; F155-E160 HydrophobicContact CE1-CB 4.44Å; F155-E160 PolarHBondContact O-N 2.65Å; L158-E160 VanDerWaalsContact C-N 3.26Å; L158-E160 PolarHBondContact O-N 3.42Å; E160-N699 PolarHBondContact OE2-ND2 2.69Å
161	C	94.8	Very high	95	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.034	21%	0.213	C	C	.	.			trans	-91.1	125.9	178.6	-173.6	0	0	0	0	110.7	R141 L163 D164	R141-C161 PolarHBondContact NH2-O 3.07Å; C161-L163 PolarHBondContact O-N 2.8Å; C161-D164 HydrophobicContact CB-CB 4.18Å; C161-D164 WeakPolarHBondContact O-CB 3.4Å; C161-D164 PolarHBondContact O-N 3.49Å
162	P	94.6	Very high	94.9	Very high	32 Å²	32	41.1 Å²	41.1	21%	0.208	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.5	174.4	-21.4	32.9	0	0	0	113.9	R141 P152 F155	R141-P162 PolarHBondContact NH2-O 3.3Å; P152-P162 HydrophobicContact CB-CG 4.02Å; F155-P162 HydrophobicContact CB-CG 3.92Å; F155-P162 HydrophobicContact CD2-CB 4.16Å; F155-P162 HydrophobicContact CD2-CG 4.06Å; F155-P162 HydrophobicContact CG-CB 4.45Å; F155-P162 HydrophobicContact CG-CG 4.02Å
163	L	93.4	Very high	94.8	Very high	21 Å²	21	37.4 Å²	37.4	11%	0.11	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-10.7	-179.9	-61.2	175.2	0	0	0	113.3	C161 Y444 Y698 D728 K731 L732	C161-L163 PolarHBondContact O-N 2.8Å; L163-Y444 HydrophobicContact CB-CE2 4.22Å; L163-Y444 VanDerWaalsContact O-CE2 3.27Å; L163-Y444 WeakPolarHBondContact O-CE2 3.37Å; L163-Y444 PolarHBondContact O-OH 3.08Å; L163-Y698 HydrophobicContact CD1-CE1 4.39Å; L163-Y698 HydrophobicContact CD1-CE2 4.24Å; L163-Y698 WeakPolarHBondContact CD1-OH 3.34Å; L163-Y698 HydrophobicContact CG-CE2 4.49Å; L163-D728 HydrophobicContact CD2-CB 3.85Å; L163-D728 WeakPolarHBondContact CD2-OD2 3.24Å; L163-K731 HydrophobicContact CD1-CB 4.02Å; L163-K731 HydrophobicContact CD1-CD 4.01Å; L163-K731 HydrophobicContact CD2-CD 4.44Å; L163-L732 HydrophobicContact CB-CD1 4.21Å; L163-L732 HydrophobicContact CD1-CD1 3.7Å; L163-L732 HydrophobicContact CD1-CG 4.02Å
164	D	94.6	Very high	94.8	Very high	12 Å²	12	35.4 Å²	35.4	6%	0.064	18%	0.182	C	C	.	.			trans	-61.4	127.8	179.9	-171	24.4	0	0	0	110.5	R141 C161 G166 Y168 R441	R141-D164 PolarHBondContact NE-O 3.49Å; R141-D164 PolarHBondContact NH1-O 2.67Å; R141-D164 PolarHBondContact NH2-O 3.35Å; C161-D164 HydrophobicContact CB-CB 4.18Å; C161-D164 WeakPolarHBondContact O-CB 3.4Å; C161-D164 PolarHBondContact O-N 3.49Å; D164-G166 PolarHBondContact O-N 2.81Å; D164-G166 VanDerWaalsContact O-N 3.11Å; D164-Y168 PolarHBondContact OD2-OH 3.49Å; D164-R441 VanDerWaalsContact CG-NH2 3.3Å; D164-R441 IonicContact OD1-CZ 2.67Å; D164-R441 VanDerWaalsContact OD1-CZ 3.27Å; D164-R441 IonicContact OD1-NH1 3.97Å; D164-R441 PolarHBondContact OD1-NH1 2.78Å; D164-R441 IonicContact OD1-NH2 3.09Å; D164-R441 PolarHBondContact OD1-NH2 3.38Å; D164-R441 IonicContact OD2-NH2 2.65Å; D164-R441 PolarHBondContact OD2-NH2 3.12Å
165	P	92.9	Very high	94.9	Very high	15 Å²	15	32.7 Å²	32.7	10%	0.097	17%	0.17	C	C	.	.			trans	-54.9	-31.8	-175.8	14.2	-32.2	0	0	0	115.6	V40 L448 M451	V40-P165 HydrophobicContact CB-CB 4.49Å; V40-P165 HydrophobicContact CG2-CB 3.77Å; P165-L448 HydrophobicContact CB-CD1 4.12Å; P165-M451 HydrophobicContact CB-CG 4.19Å; P165-M451 HydrophobicContact CG-CG 4.22Å
166	G	94.3	Very high	95	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.01	17%	0.172	C	C	.	.			trans	66.7	-159.4	-166.1	0	0	0	0	0	111.9	D164 Y168 M451	D164-G166 PolarHBondContact O-N 2.81Å; D164-G166 VanDerWaalsContact O-N 3.11Å; G166-Y168 WeakPolarHBondContact O-CD1 3.31Å; G166-Y168 PolarHBondContact O-N 2.92Å; G166-M451 WeakPolarHBondContact O-CE 3.2Å
167	G	94.9	Very high	95.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.			trans	80.6	11.2	177.1	0	0	0	0	0	115.5	M139 L140 M451	M139-G167 VanDerWaalsContact CG-C 3.4Å; M139-G167 VanDerWaalsContact SD-C 3.56Å; M139-G167 VanDerWaalsContact SD-CA 3.54Å; L140-G167 PolarHBondContact O-N 3.4Å; G167-M451 VanDerWaalsContact C-CE 3.45Å; G167-M451 WeakPolarHBondContact O-CE 3.33Å
168	Y	97.4	Very high	95.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.			trans	-128.7	169.5	-179.2	67.3	-95.3	0	0	0	111.5	R103 L140 D164 G166 I170 E175 L439 R441	R103-Y168 PolarHBondContact NH2-OH 2.91Å; L140-Y168 HydrophobicContact CD1-CE2 4.43Å; L140-Y168 HydrophobicContact CD2-CE1 4.36Å; L140-Y168 HydrophobicContact CD2-CE2 3.92Å; L140-Y168 PolarHBondContact N-O 2.92Å; D164-Y168 PolarHBondContact OD2-OH 3.49Å; G166-Y168 WeakPolarHBondContact O-CD1 3.31Å; G166-Y168 PolarHBondContact O-N 2.92Å; Y168-I170 HydrophobicContact CE2-CG1 4.23Å; Y168-E175 HydrophobicContact CD2-CB 3.9Å; Y168-E175 HydrophobicContact CD2-CG 4.17Å; Y168-E175 HydrophobicContact CE2-CB 3.83Å; Y168-E175 VanDerWaalsContact CE2-CD 3.43Å; Y168-E175 HydrophobicContact CE2-CG 3.58Å; Y168-E175 VanDerWaalsContact CE2-OE1 3.25Å; Y168-E175 WeakPolarHBondContact CE2-OE1 3.4Å; Y168-E175 VanDerWaalsContact CZ-OE1 3.26Å; Y168-E175 PolarHBondContact OH-OE1 3.42Å; Y168-L439 HydrophobicContact CD1-CD2 3.85Å; Y168-L439 HydrophobicContact CD2-CD2 4.46Å; Y168-L439 HydrophobicContact CE1-CD2 3.89Å; Y168-L439 HydrophobicContact CE2-CD2 4.48Å; Y168-L439 HydrophobicContact CG-CD2 4.15Å; Y168-R441 PolarHBondContact OH-NH2 3.06Å
169	F	98	Very high	95.3	Very high	1 Å²	1	20 Å²	20	0%	0.004	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	151.2	-177.4	-61.1	-85	0	0	0	111.9	F47 P137 M139 V171 E175 K176 I178 L368 I418	F47-F169 HydrophobicContact CD2-CE1 4.26Å; F47-F169 AromaticContact CD2-CZ 3.97Å; F47-F169 HydrophobicContact CD2-CZ 3.97Å; F47-F169 AromaticContact CE2-CE1 3.81Å; F47-F169 HydrophobicContact CE2-CE1 3.81Å; F47-F169 AromaticContact CE2-CZ 3.95Å; F47-F169 HydrophobicContact CE2-CZ 3.95Å; F47-F169 HydrophobicContact CZ-CE1 4.23Å; P137-F169 HydrophobicContact CB-CD1 4.14Å; P137-F169 WeakPolarHBondContact O-CE1 3.47Å; M139-F169 HydrophobicContact CB-CD1 4.29Å; M139-F169 HydrophobicContact CB-CE1 3.72Å; M139-F169 HydrophobicContact CB-CZ 3.89Å; M139-F169 HydrophobicContact CE-CE1 4.49Å; M139-F169 HydrophobicContact CE-CE2 3.58Å; M139-F169 HydrophobicContact CE-CZ 3.5Å; M139-F169 HydrophobicContact CG-CE1 4.5Å; M139-F169 HydrophobicContact CG-CZ 4.32Å; F169-V171 HydrophobicContact CB-CG2 4.2Å; F169-E175 CarbonylContact O-C 3.52Å; F169-E175 WeakPolarHBondContact O-CA 3.42Å; F169-K176 PolarHBondContact N-O 3.21Å; F169-K176 PolarHBondContact O-N 3.4Å; F169-I178 HydrophobicContact CD2-CD1 4.27Å; F169-I178 HydrophobicContact CD2-CG1 4.23Å; F169-I178 HydrophobicContact CE2-CD1 3.6Å; F169-I178 HydrophobicContact CE2-CG1 3.93Å; F169-I178 HydrophobicContact CZ-CD1 4.35Å; F169-L368 HydrophobicContact CE1-CD1 4.39Å; F169-L368 HydrophobicContact CE2-CD1 4.32Å; F169-L368 HydrophobicContact CZ-CD1 3.63Å; F169-I418 HydrophobicContact CB-CG2 4.27Å
170	I	97.6	Very high	95.3	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	112.5	168.9	-60.9	168.7	0	0	0	108.1	P99 C102 R103 T108 Y109 L140 Y168 Q174	P99-I170 HydrophobicContact CB-CD1 3.63Å; P99-I170 WeakPolarHBondContact O-CD1 3.31Å; C102-I170 HydrophobicContact CB-CG2 4.02Å; R103-I170 HydrophobicContact CG-CD1 3.85Å; R103-I170 HydrophobicContact CG-CG1 4.36Å; R103-I170 HydrophobicContact CG-CG2 4.17Å; T108-I170 WeakPolarHBondContact CA-O 3.02Å; Y109-I170 PolarHBondContact N-O 2.86Å; L140-I170 HydrophobicContact CD1-CD1 3.73Å; L140-I170 HydrophobicContact CD1-CG1 3.84Å; L140-I170 HydrophobicContact CD2-CD1 4.12Å; Y168-I170 HydrophobicContact CE2-CG1 4.23Å; I170-Q174 WeakPolarHBondContact CA-O 3.43Å
171	V	95.8	Very high	95.2	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.012	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119.5	-178.2	-174.6	0	0	0	0	109.1	T108 F169 G173 Q174 V415 I418	T108-V171 HydrophobicContact CG2-CG1 4.46Å; T108-V171 HydrophobicContact CG2-CG2 4.42Å; F169-V171 HydrophobicContact CB-CG2 4.2Å; V171-G173 PolarHBondContact O-N 2.76Å; V171-Q174 PolarHBondContact N-O 3.23Å; V171-Q174 PolarHBondContact O-N 3.2Å; V171-V415 HydrophobicContact CG1-CB 4.42Å; V171-V415 HydrophobicContact CG1-CG1 3.71Å; V171-I418 HydrophobicContact CG2-CB 4.22Å; V171-I418 HydrophobicContact CG2-CG2 3.66Å
172	K	93	Very high	95.1	Very high	114 Å²	114	17.3 Å²	17.3	50%	0.496	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	44.3	-176.2	-58.7	-179.2	178.4	179.5	0	112.6	D106 T108 Q174	D106-K172 CarbonylContact O-C 3.54Å; D106-K172 VanDerWaalsContact O-C 3.31Å; D106-K172 VanDerWaalsContact O-CA 3.29Å; D106-K172 WeakPolarHBondContact O-CA 3.4Å; T108-K172 PolarHBondContact OG1-N 3.33Å; T108-K172 VanDerWaalsContact OG1-N 3.09Å; K172-Q174 PolarHBondContact O-N 3.27Å
173	G	91.9	Very high	94.8	Very high	14 Å²	14	16.4 Å²	16.4	14%	0.144	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-9.4	-176.8	0	0	0	0	0	116.8	M107 V171	M107-G173 PolarHBondContact O-N 2.89Å; V171-G173 PolarHBondContact O-N 2.76Å
174	Q	94.9	Very high	94.6	Very high	95 Å²	95	18.6 Å²	18.6	44%	0.444	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	138.1	-179.9	-64	-172.1	-3	0	0	111.6	I170 V171 K172	I170-Q174 WeakPolarHBondContact CA-O 3.43Å; V171-Q174 PolarHBondContact N-O 3.23Å; V171-Q174 PolarHBondContact O-N 3.2Å; K172-Q174 PolarHBondContact O-N 3.27Å
175	E	96.5	Very high	94.4	Very high	7 Å²	7	18.4 Å²	18.4	3%	0.033	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	119.7	172.5	-58.6	-173.2	143.5	0	0	110	R103 Y168 F169 V438 L439 R441 R703	R103-E175 IonicContact CZ-OE1 2.64Å; R103-E175 IonicContact NE-OE1 3.9Å; R103-E175 PolarHBondContact NE-OE1 3Å; R103-E175 IonicContact NH2-OE1 3.86Å; R103-E175 PolarHBondContact NH2-OE1 3.42Å; Y168-E175 HydrophobicContact CD2-CB 3.9Å; Y168-E175 HydrophobicContact CD2-CG 4.17Å; Y168-E175 HydrophobicContact CE2-CB 3.83Å; Y168-E175 VanDerWaalsContact CE2-CD 3.43Å; Y168-E175 HydrophobicContact CE2-CG 3.58Å; Y168-E175 VanDerWaalsContact CE2-OE1 3.25Å; Y168-E175 WeakPolarHBondContact CE2-OE1 3.4Å; Y168-E175 VanDerWaalsContact CZ-OE1 3.26Å; Y168-E175 PolarHBondContact OH-OE1 3.42Å; F169-E175 CarbonylContact O-C 3.52Å; F169-E175 WeakPolarHBondContact O-CA 3.42Å; E175-V438 WeakPolarHBondContact O-CA 3.41Å; E175-L439 HydrophobicContact CB-CB 3.93Å; E175-L439 HydrophobicContact CB-CD2 4.49Å; E175-L439 PolarHBondContact O-N 2.82Å; E175-R441 IonicContact OE1-NH2 3.54Å; E175-R441 IonicContact OE2-CZ 3.16Å; E175-R441 IonicContact OE2-NE 2.76Å; E175-R441 PolarHBondContact OE2-NE 3.13Å; E175-R441 IonicContact OE2-NH2 3.87Å; E175-R703 IonicContact OE1-CZ 2.81Å; E175-R703 IonicContact OE1-NH1 3.19Å; E175-R703 PolarHBondContact OE1-NH1 3.09Å; E175-R703 IonicContact OE1-NH2 3.63Å; E175-R703 PolarHBondContact OE1-NH2 3.39Å; E175-R703 IonicContact OE2-CZ 3.64Å; E175-R703 IonicContact OE2-NH1 2.81Å; E175-R703 IonicContact OE2-NH2 3.98Å; E175-R703 PolarHBondContact OE2-NH2 3.24Å
176	K	97.1	Very high	94.2	Very high	21 Å²	21	21.1 Å²	21.1	9%	0.091	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.7	-177.8	-62.8	-74.6	177.8	161.6	0	109.8	F169 I418 S419 Q437 V438	F169-K176 PolarHBondContact N-O 3.21Å; F169-K176 PolarHBondContact O-N 3.4Å; K176-I418 HydrophobicContact CB-CG2 3.94Å; K176-I418 HydrophobicContact CG-CG2 4.47Å; K176-S419 PolarHBondContact NZ-O 2.96Å; K176-Q437 WeakPolarHBondContact CA-O 3.37Å; K176-V438 HydrophobicContact CD-CG2 4.12Å
177	V	97	Very high	94.1	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.8	173.8	-178	0	0	0	0	108.2	T436 Q437 L439 M450 M451	V177-T436 CarbonylContact O-C 3.59Å; V177-T436 WeakPolarHBondContact O-CA 3.31Å; V177-Q437 PolarHBondContact N-O 2.88Å; V177-Q437 PolarHBondContact O-N 3.44Å; V177-L439 HydrophobicContact CG2-CB 3.99Å; V177-L439 HydrophobicContact CG2-CD1 3.77Å; V177-L439 HydrophobicContact CG2-CG 4.36Å; V177-M450 HydrophobicContact CG2-CG 4.47Å; V177-M451 HydrophobicContact CG1-CE 4.06Å; V177-M451 HydrophobicContact CG1-SD 4.01Å; V177-M451 HydrophobicContact CG2-CE 4.41Å; V177-M451 HydrophobicContact CG2-SD 3.68Å
178	I	96.5	Very high	93.9	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	119.4	166.9	-59.2	-177.2	0	0	0	106.9	H43 F169 A364 L367 L368 W423 V435 T436	H43-I178 PolarHBondContact CE1-O 2.6Å; H43-I178 VanDerWaalsContact CE1-O 3.22Å; F169-I178 HydrophobicContact CD2-CD1 4.27Å; F169-I178 HydrophobicContact CD2-CG1 4.23Å; F169-I178 HydrophobicContact CE2-CD1 3.6Å; F169-I178 HydrophobicContact CE2-CG1 3.93Å; F169-I178 HydrophobicContact CZ-CD1 4.35Å; I178-A364 HydrophobicContact CB-CB 4.06Å; I178-A364 HydrophobicContact CD1-CB 4.14Å; I178-A364 HydrophobicContact CG2-CB 4.24Å; I178-L367 HydrophobicContact CG2-CD1 3.63Å; I178-L368 HydrophobicContact CD1-CD1 4.07Å; I178-L368 HydrophobicContact CD1-CD2 4.22Å; I178-L368 HydrophobicContact CD1-CG 4.04Å; I178-W423 HydrophobicContact CD1-CZ2 4.12Å; I178-V435 HydrophobicContact CG2-CG1 4.02Å; I178-T436 HydrophobicContact CG1-CG2 3.91Å
179	L	94.9	Very high	93.7	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-75.1	140.8	177.2	-65	-175.9	0	0	0	110.5	Q181 V435 Q437 R453	L179-Q181 PolarHBondContact O-N 3.37Å; L179-Q181 PolarHBondContact O-NE2 2.96Å; L179-V435 PolarHBondContact N-O 3.13Å; L179-Q437 VanDerWaalsContact CD1-CD 3.5Å; L179-Q437 HydrophobicContact CD1-CG 3.98Å; L179-Q437 HydrophobicContact CG-CG 4.39Å; L179-R453 HydrophobicContact CD2-CB 4.27Å; L179-R453 HydrophobicContact CD2-CG 4.48Å
180	I	95.7	Very high	93.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	130.6	175.2	-56.3	172.6	0	0	0	108.5	Q42 L361 L363 R453 I454 S455 L495 I501	Q42-I180 HydrophobicContact CG-CD1 4.19Å; I180-L361 HydrophobicContact CG2-CB 3.75Å; I180-L361 HydrophobicContact CG2-CD1 4.13Å; I180-L361 HydrophobicContact CG2-CD2 4.3Å; I180-L361 HydrophobicContact CG2-CG 4.28Å; I180-L363 HydrophobicContact CD1-CD2 4.01Å; I180-L363 HydrophobicContact CG1-CD2 3.95Å; I180-L363 HydrophobicContact CG2-CD2 4.03Å; I180-R453 PolarHBondContact N-O 3.22Å; I180-I454 HydrophobicContact CB-CG1 4.05Å; I180-I454 HydrophobicContact CD1-CG1 4.37Å; I180-I454 HydrophobicContact CG2-CG1 4.06Å; I180-I454 WeakPolarHBondContact O-CA 3.48Å; I180-S455 PolarHBondContact O-N 3.08Å; I180-L495 HydrophobicContact CD1-CD1 4.06Å; I180-I501 HydrophobicContact CD1-CD1 4.42Å
181	Q	93.4	Very high	93.2	Very high	14 Å²	14	25.9 Å²	25.9	7%	0.065	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119.7	-176.2	-59.6	-60.7	-53.7	0	0	110.7	L179 E362 L367	L179-Q181 PolarHBondContact O-N 3.37Å; L179-Q181 PolarHBondContact O-NE2 2.96Å; Q181-E362 HydrophobicContact CB-CB 4.31Å; Q181-E362 PolarHBondContact N-O 3.19Å; Q181-E362 PolarHBondContact O-N 3.28Å; Q181-L367 HydrophobicContact CG-CD1 4.09Å
182	E	92.7	Very high	93	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.037	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.3	172.7	-179	-170.8	159.2	0	0	110	K359 L361 I454 S455 S456 Q457 K493	E182-K359 HydrophobicContact CG-CB 4.45Å; E182-K359 HydrophobicContact CG-CD 4.12Å; E182-K359 HydrophobicContact CG-CG 4.47Å; E182-K359 WeakPolarHBondContact OE1-CD 3.35Å; E182-K359 WeakPolarHBondContact OE1-CE 3.33Å; E182-K359 IonicContact OE1-NZ 3.22Å; E182-K359 PolarHBondContact OE1-NZ 3.24Å; E182-L361 HydrophobicContact CB-CD2 3.99Å; E182-L361 HydrophobicContact CG-CD2 4.31Å; E182-I454 HydrophobicContact CB-CG2 3.9Å; E182-S455 PolarHBondContact N-O 3.01Å; E182-S456 PolarHBondContact OE2-OG 3.32Å; E182-Q457 VanDerWaalsContact O-CG 3.31Å; E182-Q457 WeakPolarHBondContact O-CG 3.35Å; E182-K493 IonicContact OE1-NZ 3.1Å; E182-K493 PolarHBondContact OE1-NZ 3.33Å; E182-K493 IonicContact OE2-NZ 3.77Å; E182-K493 PolarHBondContact OE2-NZ 2.84Å
183	Q	89.1	Confident	92.7	Very high	12 Å²	12	27.8 Å²	27.8	6%	0.056	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	163.5	173.9	-42.7	-150.7	2.6	0	0	110.9	K359 R360 E362	Q183-K359 CarbonylContact O-C 3.56Å; Q183-K359 WeakPolarHBondContact O-CA 3.5Å; Q183-R360 PolarHBondContact N-O 2.76Å; Q183-R360 PolarHBondContact O-N 3.19Å; Q183-E362 VanDerWaalsContact CD-CD 3.42Å; Q183-E362 VanDerWaalsContact CD-OE1 3.29Å; Q183-E362 HydrophobicContact CG-CG 4.27Å; Q183-E362 PolarHBondContact NE2-OE1 2.81Å; Q183-E362 VanDerWaalsContact NE2-OE1 3.07Å; Q183-E362 PolarHBondContact NE2-OE2 3.18Å; Q183-E362 PolarHBondContact OE1-OE1 3.11Å
184	L	89.5	Confident	92.3	Very high	67 Å²	67	31.5 Å²	31.5	35%	0.351	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	147.6	163.2	-65.4	172.8	0	0	0	110.4	K186 I190 R353 N358 K359	L184-K186 PolarHBondContact O-N 3.47Å; L184-I190 HydrophobicContact CD1-CD1 4.35Å; L184-R353 HydrophobicContact CD2-CB 4.43Å; L184-R353 WeakPolarHBondContact CD2-O 3.41Å; L184-N358 CarbonylContact C-O 3.31Å; L184-K359 HydrophobicContact CD2-CG 4.46Å
185	S	89.8	Confident	91.6	Very high	9 Å²	9	38.3 Å²	38.3	6%	0.063	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-54.7	131.9	172.6	-171.1	0	0	0	0	109.8	N358	S185-N358 WeakPolarHBondContact CB-O 3.38Å; S185-N358 PolarHBondContact N-O 2.77Å
186	K	89.3	Confident	91	Very high	72 Å²	72	47.1 Å²	47.1	31%	0.313	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	161.9	170.7	-63.4	160.6	-173.1	169.7	0	108.2	L184 R188 E362	L184-K186 PolarHBondContact O-N 3.47Å; K186-R188 PolarHBondContact O-N 2.81Å; K186-E362 IonicContact NZ-OE1 2.93Å; K186-E362 PolarHBondContact NZ-OE1 3.34Å
187	N	91.8	Very high	90.2	Very high	31 Å²	31	47.9 Å²	47.9	17%	0.166	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	19.4	172.2	-53.2	-20.8	0	0	0	115.5	T204 S205 S206 H319 G542	N187-T204 PolarHBondContact N-O 2.96Å; N187-S205 WeakPolarHBondContact OD1-CA 3.06Å; N187-S206 PolarHBondContact ND2-O 3.42Å; N187-S206 PolarHBondContact OD1-N 3.21Å; N187-H319 HydrophobicContact CB-CB 4.41Å; N187-H319 WeakPolarHBondContact OD1-CB 3.33Å; N187-G542 VanDerWaalsContact O-CA 3.29Å; N187-G542 WeakPolarHBondContact O-CA 3.35Å
188	R	91.1	Very high	89.7	Confident	45 Å²	45	49.6 Å²	49.6	17%	0.17	24%	0.239	C	C	.	.			trans	-112	143.3	176.6	-169.4	170.9	177.9	131.6	-7.2	111.1	K186 N358	K186-R188 PolarHBondContact O-N 2.81Å; R188-N358 VanDerWaalsContact CZ-OD1 3.23Å; R188-N358 PolarHBondContact NE-OD1 3.31Å; R188-N358 PolarHBondContact NH2-OD1 2.72Å
189	I	93.1	Very high	89.4	Confident	10 Å²	10	50 Å²	50	5%	0.051	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	120.1	173	-54.8	170.1	0	0	0	107.8	V191 A201 Y333 V336 M337 R340	I189-V191 HydrophobicContact CG2-CG2 4.48Å; I189-A201 HydrophobicContact CG2-CB 4.14Å; I189-Y333 HydrophobicContact CD1-CE1 4.22Å; I189-Y333 HydrophobicContact CD1-CE2 4.26Å; I189-Y333 HydrophobicContact CG1-CE1 4.1Å; I189-Y333 HydrophobicContact CG1-CE2 4.45Å; I189-Y333 VanDerWaalsContact CG1-OH 3.29Å; I189-Y333 WeakPolarHBondContact CG1-OH 3.09Å; I189-V336 HydrophobicContact CD1-CG1 4.16Å; I189-M337 HydrophobicContact CD1-CG 3.55Å; I189-M337 HydrophobicContact CG1-CG 3.82Å; I189-M337 HydrophobicContact CG2-CG 4.11Å; I189-R340 PolarHBondContact O-NH1 3.28Å
190	I	92.1	Very high	89.2	Confident	14 Å²	14	50.3 Å²	50.3	7%	0.072	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.4	173.8	-60.5	175.1	0	0	0	107.7	L184 A201 S202 D351 R353	L184-I190 HydrophobicContact CD1-CD1 4.35Å; I190-A201 CarbonylContact O-C 3.59Å; I190-A201 VanDerWaalsContact O-CA 3.31Å; I190-A201 WeakPolarHBondContact O-CA 3.47Å; I190-S202 PolarHBondContact N-O 3.24Å; I190-S202 PolarHBondContact O-N 3.41Å; I190-D351 HydrophobicContact CG2-CB 4.49Å; I190-R353 HydrophobicContact CG2-CG 4.33Å
191	V	92.8	Very high	89.1	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.018	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123	171.9	-174.6	0	0	0	0	108.7	I189 V199 G200 A201 R340 A344 V350 D351	I189-V191 HydrophobicContact CG2-CG2 4.48Å; V191-V199 HydrophobicContact CG1-CG1 3.6Å; V191-G200 CarbonylContact C-O 3.54Å; V191-G200 WeakPolarHBondContact CA-O 3.45Å; V191-A201 HydrophobicContact CG2-CB 4.33Å; V191-R340 HydrophobicContact CG2-CB 4.01Å; V191-A344 HydrophobicContact CG1-CB 3.68Å; V191-V350 WeakPolarHBondContact O-CG1 3.49Å; V191-D351 PolarHBondContact N-OD2 3.5Å; V191-D351 PolarHBondContact O-N 3.04Å
192	E	90.1	Very high	89.1	Confident	56 Å²	56	50.3 Å²	50.3	26%	0.262	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	156.7	-179.3	72.4	173.8	137.9	0	0	111.9	V199 G200 V350 R353	E192-V199 WeakPolarHBondContact O-CA 3.43Å; E192-G200 PolarHBondContact N-O 3.38Å; E192-G200 PolarHBondContact O-N 3Å; E192-G200 VanDerWaalsContact O-O 3.04Å; E192-V350 VanDerWaalsContact CA-CG1 3.48Å; E192-R353 VanDerWaalsContact CD-CZ 3.47Å; E192-R353 IonicContact OE1-CZ 3.61Å; E192-R353 IonicContact OE1-NH1 3.48Å; E192-R353 IonicContact OE1-NH2 2.69Å; E192-R353 PolarHBondContact OE1-NH2 2.99Å; E192-R353 IonicContact OE2-CZ 3.04Å; E192-R353 IonicContact OE2-NE 2.76Å; E192-R353 IonicContact OE2-NH1 2.82Å; E192-R353 PolarHBondContact OE2-NH1 3.47Å; E192-R353 IonicContact OE2-NH2 3.03Å; E192-R353 PolarHBondContact OE2-NH2 3.33Å
193	Q	88.4	Confident	89.1	Confident	99 Å²	99	50 Å²	50	46%	0.463	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.2	168.4	-164	176.5	22.8	0	0	109.9	G197 V350	Q193-G197 WeakPolarHBondContact CG-O 3.48Å; Q193-G197 PolarHBondContact NE2-O 3.02Å; Q193-V350 HydrophobicContact CB-CG2 4.41Å
194	D	82.8	Confident	89.2	Confident	92 Å²	92	51.6 Å²	51.6	49%	0.492	26%	0.257	S	S	.	.			trans	-73	165.4	174.5	-166.1	12.3	0	0	0	110.7	K196 G197 A198	D194-K196 PolarHBondContact O-N 2.84Å; D194-G197 PolarHBondContact O-N 2.96Å; D194-A198 PolarHBondContact N-O 2.74Å
195	R	80.7	Confident	89	Confident	238 Å²	238	48.4 Å²	48.4	90%	0.898	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-24	178.2	-66.1	-176	177.4	-175.1	-2.6	113.9
196	K	83.3	Confident	88.7	Confident	193 Å²	193	49.3 Å²	49.3	84%	0.839	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	3.2	177.4	-62.2	-175.9	179.3	-174	0	113.3	D194 A198	D194-K196 PolarHBondContact O-N 2.84Å; K196-A198 PolarHBondContact O-N 3.44Å
197	G	80.4	Confident	88.1	Confident	36 Å²	36	48.3 Å²	48.3	37%	0.371	25%	0.247	S	C	.	.	S	Bend	trans	81	-5	-175.4	0	0	0	0	0	114.5	Q193 D194	Q193-G197 WeakPolarHBondContact CG-O 3.48Å; Q193-G197 PolarHBondContact NE2-O 3.02Å; D194-G197 PolarHBondContact O-N 2.96Å
198	A	86.3	Confident	87	Confident	38 Å²	38	54.2 Å²	54.2	31%	0.314	27%	0.273	S	S	.	.			trans	-74.9	127.4	178.5	0	0	0	0	0	111	D194 K196	D194-A198 PolarHBondContact N-O 2.74Å; K196-A198 PolarHBondContact O-N 3.44Å
199	V	89.9	Confident	85.8	Confident	9 Å²	9	59 Å²	59	6%	0.055	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	136.2	172.9	-173.9	0	0	0	0	109.7	V191 E192 V341 A344 Q345	V191-V199 HydrophobicContact CG1-CG1 3.6Å; E192-V199 WeakPolarHBondContact O-CA 3.43Å; V199-V341 HydrophobicContact CG1-CG1 4.39Å; V199-A344 HydrophobicContact CG1-CB 3.79Å; V199-Q345 HydrophobicContact CB-CG 4.02Å; V199-Q345 HydrophobicContact CG2-CG 4.13Å
200	G	91.6	Very high	84.9	Confident	11 Å²	11	62.4 Å²	62.4	11%	0.113	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	166.2	174.4	0	0	0	0	0	111.1	V191 E192 M216	V191-G200 CarbonylContact C-O 3.54Å; V191-G200 WeakPolarHBondContact CA-O 3.45Å; E192-G200 PolarHBondContact N-O 3.38Å; E192-G200 PolarHBondContact O-N 3Å; E192-G200 VanDerWaalsContact O-O 3.04Å; G200-M216 VanDerWaalsContact CA-O 3.28Å; G200-M216 WeakPolarHBondContact CA-O 3.45Å
201	A	93.1	Very high	84.3	Confident	3 Å²	3	66.9 Å²	66.9	3%	0.025	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.1	174.2	0	0	0	0	0	110.3	I189 I190 V191 N215 M216 M337 V341	I189-A201 HydrophobicContact CG2-CB 4.14Å; I190-A201 CarbonylContact O-C 3.59Å; I190-A201 VanDerWaalsContact O-CA 3.31Å; I190-A201 WeakPolarHBondContact O-CA 3.47Å; V191-A201 HydrophobicContact CG2-CB 4.33Å; A201-N215 CarbonylContact O-C 3.52Å; A201-N215 WeakPolarHBondContact O-CA 3.44Å; A201-M216 HydrophobicContact CB-CB 4.25Å; A201-M216 PolarHBondContact N-O 3.04Å; A201-M216 VanDerWaalsContact N-O 3.09Å; A201-M216 PolarHBondContact O-N 3.22Å; A201-M337 HydrophobicContact CB-CE 4.2Å; A201-V341 HydrophobicContact CB-CG2 3.43Å; A201-V341 VanDerWaalsContact CB-CG2 3.43Å
202	S	93.1	Very high	83.9	Confident	10 Å²	10	67.3 Å²	67.3	7%	0.07	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.4	172.2	65.1	0	0	0	0	111.1	I190 T214 N215	I190-S202 PolarHBondContact N-O 3.24Å; I190-S202 PolarHBondContact O-N 3.41Å; S202-T214 WeakPolarHBondContact CA-O 3.45Å; S202-N215 VanDerWaalsContact CB-OD1 3.23Å; S202-N215 WeakPolarHBondContact CB-OD1 3.44Å
203	V	93.1	Very high	83.9	Confident	1 Å²	1	71 Å²	71	1%	0.006	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	128.8	171.5	58.6	0	0	0	0	108.9	R213 T214 L317 Y333 M337	V203-R213 WeakPolarHBondContact O-CA 3.17Å; V203-T214 PolarHBondContact N-O 3.36Å; V203-T214 PolarHBondContact O-N 3.11Å; V203-L317 HydrophobicContact CG1-CD2 3.33Å; V203-Y333 HydrophobicContact CG1-CE1 4.41Å; V203-M337 HydrophobicContact CB-CE 4.4Å; V203-M337 HydrophobicContact CG1-CE 3.85Å; V203-M337 HydrophobicContact CG1-SD 3.86Å
204	T	90.3	Very high	84	Confident	46 Å²	46	66.3 Å²	66.3	28%	0.282	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	98.4	172.1	-57.7	0	0	0	0	108.2	N187 S212	N187-T204 PolarHBondContact N-O 2.96Å; T204-S212 CarbonylContact C-O 3.6Å
205	S	86.3	Confident	84.5	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	121.9	178.8	-56.8	0	0	0	0	109.8	N187 K211 S212 T318 H319	N187-S205 WeakPolarHBondContact OD1-CA 3.06Å; S205-K211 WeakPolarHBondContact O-CA 3.19Å; S205-S212 PolarHBondContact N-O 2.96Å; S205-S212 PolarHBondContact O-N 2.77Å; S205-S212 VanDerWaalsContact O-O 3.12Å; S205-T318 VanDerWaalsContact CB-OG1 3.24Å; S205-T318 WeakPolarHBondContact CB-OG1 3.3Å; S205-H319 VanDerWaalsContact CB-ND1 3.3Å; S205-H319 WeakPolarHBondContact CB-ND1 3.39Å; S205-H319 PolarHBondContact OG-CE1 3.15Å; S205-H319 PolarHBondContact OG-ND1 2.87Å
206	S	83.1	Confident	85.1	Confident	29 Å²	29	52.2 Å²	52.2	20%	0.203	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.7	179.8	-165.5	0	0	0	0	109.8	N187	N187-S206 PolarHBondContact ND2-O 3.42Å; N187-S206 PolarHBondContact OD1-N 3.21Å
207	T	77.5	Confident	85.6	Confident	51 Å²	51	44.2 Å²	44.2	31%	0.313	23%	0.232	S	C	.	.			trans	-119.5	172.6	168.8	66.6	0	0	0	0	109.3	E209 K210 H319	T207-E209 PolarHBondContact O-N 3Å; T207-E209 PolarHBondContact OG1-N 3.03Å; T207-K210 PolarHBondContact N-O 2.9Å; T207-K210 PolarHBondContact OG1-N 3.25Å; T207-K210 PolarHBondContact OG1-O 3.03Å; T207-H319 HydrophobicContact CG2-CB 4.34Å
208	H	67.3	Low	86.1	Confident	154 Å²	154	43.5 Å²	43.5	71%	0.713	22%	0.221	S	C	*	.	S	Bend	trans	-58.4	-27.3	172.7	-70.3	-73.7	0	0	0	112.6
209	E	67.4	Low	86.3	Confident	146 Å²	146	46.1 Å²	46.1	68%	0.682	23%	0.225	S	C	*	.	S	Bend	trans	-89.2	-44.8	-176.5	-62.6	-170.7	168.4	0	0	113.4	T207	T207-E209 PolarHBondContact O-N 3Å; T207-E209 PolarHBondContact OG1-N 3.03Å
210	K	73.4	Confident	86.2	Confident	81 Å²	81	54 Å²	54	35%	0.352	26%	0.261	S	S	.	.			trans	-144.2	145.7	-168	-65.7	-179.7	-173.8	173.2	0	111.8	T207 S314 L315 T318	T207-K210 PolarHBondContact N-O 2.9Å; T207-K210 PolarHBondContact OG1-N 3.25Å; T207-K210 PolarHBondContact OG1-O 3.03Å; K210-S314 WeakPolarHBondContact CD-O 3.3Å; K210-S314 PolarHBondContact NZ-O 3.11Å; K210-S314 PolarHBondContact NZ-OG 3.04Å; K210-L315 HydrophobicContact CD-CD2 4.07Å; K210-T318 HydrophobicContact CB-CG2 4.37Å
211	K	79.3	Confident	85.9	Confident	108 Å²	108	55.3 Å²	55.3	47%	0.47	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.8	169.9	-174	176.8	-179	177.2	0	109.4	S205	S205-K211 WeakPolarHBondContact O-CA 3.19Å
212	S	85.2	Confident	85.9	Confident	13 Å²	13	59 Å²	59	9%	0.091	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	159	176	68.6	0	0	0	0	110.9	T204 S205 L315	T204-S212 CarbonylContact C-O 3.6Å; S205-S212 PolarHBondContact N-O 2.96Å; S205-S212 PolarHBondContact O-N 2.77Å; S205-S212 VanDerWaalsContact O-O 3.12Å; S212-L315 WeakPolarHBondContact CB-O 3.47Å; S212-L315 PolarHBondContact OG-O 3.49Å
213	R	88.8	Confident	86	Confident	132 Å²	132	58.6 Å²	58.6	50%	0.498	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.5	174.2	-172.7	177.1	66	-174.7	0.6	108.2	V203 N215 H227	V203-R213 WeakPolarHBondContact O-CA 3.17Å; R213-N215 WeakPolarHBondContact CG-OD1 3.4Å; R213-H227 PolarHBondContact O-CD2 3.31Å
214	T	91.9	Very high	86.1	Confident	1 Å²	1	60 Å²	60	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.9	179.9	-52.8	0	0	0	0	108.1	S202 V203 L225 I316 L317	S202-T214 WeakPolarHBondContact CA-O 3.45Å; V203-T214 PolarHBondContact N-O 3.36Å; V203-T214 PolarHBondContact O-N 3.11Å; T214-L225 HydrophobicContact CG2-CD1 3.65Å; T214-L225 HydrophobicContact CG2-CD2 4.08Å; T214-L225 HydrophobicContact CG2-CG 3.79Å; T214-I316 HydrophobicContact CG2-CG2 4.3Å; T214-L317 HydrophobicContact CG2-CD2 4.44Å
215	N	93.3	Very high	86.3	Confident	32 Å²	32	57.8 Å²	57.8	17%	0.171	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.3	-178.8	-66.4	-6	0	0	0	109.8	A201 S202 R213 R226	A201-N215 CarbonylContact O-C 3.52Å; A201-N215 WeakPolarHBondContact O-CA 3.44Å; S202-N215 VanDerWaalsContact CB-OD1 3.23Å; S202-N215 WeakPolarHBondContact CB-OD1 3.44Å; R213-N215 WeakPolarHBondContact CG-OD1 3.4Å; N215-R226 HydrophobicContact CB-CB 4.22Å; N215-R226 PolarHBondContact N-O 3.27Å; N215-R226 VanDerWaalsContact N-O 3.1Å; N215-R226 PolarHBondContact O-N 2.94Å
216	M	93.7	Very high	86.6	Confident	3 Å²	3	62.3 Å²	62.3	2%	0.015	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.5	168.8	-171.7	65.8	65.7	0	0	108.5	G200 A201 F223 I236 L334 V338 V341	G200-M216 VanDerWaalsContact CA-O 3.28Å; G200-M216 WeakPolarHBondContact CA-O 3.45Å; A201-M216 HydrophobicContact CB-CB 4.25Å; A201-M216 PolarHBondContact N-O 3.04Å; A201-M216 VanDerWaalsContact N-O 3.09Å; A201-M216 PolarHBondContact O-N 3.22Å; M216-F223 HydrophobicContact SD-CB 4.32Å; M216-I236 HydrophobicContact CE-CD1 3.42Å; M216-I236 VanDerWaalsContact CE-CD1 3.42Å; M216-I236 HydrophobicContact CE-CG1 4Å; M216-I236 HydrophobicContact SD-CD1 4.11Å; M216-I236 HydrophobicContact SD-CG1 4.4Å; M216-L334 HydrophobicContact CE-CD1 3.81Å; M216-V338 HydrophobicContact CE-CG2 3.62Å; M216-V338 HydrophobicContact SD-CG2 4.21Å; M216-V341 HydrophobicContact CG-CG2 4.29Å
217	I	92.6	Very high	87	Confident	25 Å²	25	61.5 Å²	61.5	13%	0.128	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.6	-179.3	64.4	177.2	0	0	0	110.3	K219 Y224 D233	I217-K219 HydrophobicContact CD1-CD 4.06Å; I217-K219 HydrophobicContact CD1-CG 4.36Å; I217-Y224 WeakPolarHBondContact CG1-O 3.31Å; I217-Y224 PolarHBondContact N-O 3.32Å; I217-Y224 PolarHBondContact O-N 3.47Å; I217-D233 HydrophobicContact CD1-CB 4.26Å; I217-D233 WeakPolarHBondContact CD1-OD2 3.27Å
218	V	91.9	Very high	87.5	Confident	21 Å²	21	64.8 Å²	64.8	13%	0.127	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.8	171.8	-170.2	0	0	0	0	109.4	R222 F223 V341	V218-R222 WeakPolarHBondContact CA-O 3.29Å; V218-F223 HydrophobicContact CG2-CD1 3.65Å; V218-F223 HydrophobicContact CG2-CE1 3.42Å; V218-F223 VanDerWaalsContact CG2-CE1 3.42Å; V218-F223 HydrophobicContact CG2-CZ 4.27Å; V218-V341 HydrophobicContact CG2-CG1 3.69Å
219	K	89.8	Confident	88.4	Confident	93 Å²	93	59 Å²	59	40%	0.404	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	121.4	174.5	-70.4	172.7	167.1	174.6	0	108.4	I217 G221 R222 Y224 D233	I217-K219 HydrophobicContact CD1-CD 4.06Å; I217-K219 HydrophobicContact CD1-CG 4.36Å; K219-G221 PolarHBondContact O-N 2.86Å; K219-R222 PolarHBondContact N-O 3Å; K219-R222 WeakPolarHBondContact O-CB 3.32Å; K219-R222 PolarHBondContact O-N 3.29Å; K219-Y224 HydrophobicContact CB-CD2 4.16Å; K219-Y224 HydrophobicContact CB-CE2 3.87Å; K219-Y224 HydrophobicContact CD-CD2 4.23Å; K219-Y224 HydrophobicContact CD-CE2 4.31Å; K219-Y224 HydrophobicContact CG-CD2 4.48Å; K219-D233 IonicContact NZ-OD2 3.17Å; K219-D233 PolarHBondContact NZ-OD2 3.08Å
220	Q	86.9	Confident	89.4	Confident	174 Å²	174	52.4 Å²	52.4	81%	0.813	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	41.5	178.3	-59.1	176	-15.9	0	0	113.1	R222	Q220-R222 VanDerWaalsContact C-N 3.26Å; Q220-R222 PolarHBondContact O-N 3.05Å
221	G	86.6	Confident	90.2	Very high	38 Å²	38	51.1 Å²	51.1	39%	0.392	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	10.2	-177.6	0	0	0	0	0	115.4	K219	K219-G221 PolarHBondContact O-N 2.86Å
222	R	92.5	Very high	90.8	Very high	81 Å²	81	51.5 Å²	51.5	31%	0.306	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	143.5	178.8	-54.5	-178.3	-161.8	163.6	1.4	112	V218 K219 Q220 Y224 P267 S268 E271	V218-R222 WeakPolarHBondContact CA-O 3.29Å; K219-R222 PolarHBondContact N-O 3Å; K219-R222 WeakPolarHBondContact O-CB 3.32Å; K219-R222 PolarHBondContact O-N 3.29Å; Q220-R222 VanDerWaalsContact C-N 3.26Å; Q220-R222 PolarHBondContact O-N 3.05Å; R222-Y224 HydrophobicContact CB-CD2 4.49Å; R222-Y224 HydrophobicContact CB-CE2 3.67Å; R222-Y224 WeakPolarHBondContact O-CD2 3.44Å; R222-P267 HydrophobicContact CG-CB 4.14Å; R222-S268 WeakPolarHBondContact CA-OG 3.39Å; R222-E271 WeakPolarHBondContact CD-OE2 3.5Å
223	F	94.9	Very high	91.2	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.3	-175.4	-63.9	-84.3	0	0	0	111.5	M216 V218 I236 F265 S268 V338 V341 I342	M216-F223 HydrophobicContact SD-CB 4.32Å; V218-F223 HydrophobicContact CG2-CD1 3.65Å; V218-F223 HydrophobicContact CG2-CE1 3.42Å; V218-F223 VanDerWaalsContact CG2-CE1 3.42Å; V218-F223 HydrophobicContact CG2-CZ 4.27Å; F223-I236 HydrophobicContact CB-CB 4.21Å; F223-I236 HydrophobicContact CB-CG2 3.65Å; F223-I236 PolarHBondContact O-N 3.06Å; F223-F265 AromaticContact CD2-CD2 3.71Å; F223-F265 HydrophobicContact CD2-CD2 3.71Å; F223-F265 HydrophobicContact CD2-CE2 4.11Å; F223-F265 HydrophobicContact CE2-CD2 4.04Å; F223-S268 WeakPolarHBondContact CD2-OG 3.31Å; F223-S268 PolarHBondContact N-OG 3.27Å; F223-V338 HydrophobicContact CD1-CG1 4.3Å; F223-V338 HydrophobicContact CE1-CG1 4.48Å; F223-V338 HydrophobicContact CG-CG1 4.37Å; F223-V341 HydrophobicContact CE1-CB 4.42Å; F223-V341 HydrophobicContact CE1-CG1 3.93Å; F223-I342 HydrophobicContact CE1-CG1 3.95Å; F223-I342 HydrophobicContact CE2-CD1 4.21Å; F223-I342 HydrophobicContact CE2-CG1 4.12Å; F223-I342 HydrophobicContact CZ-CD1 3.98Å; F223-I342 HydrophobicContact CZ-CG1 3.4Å; F223-I342 VanDerWaalsContact CZ-CG1 3.4Å
224	Y	95.2	Very high	91.4	Very high	30 Å²	30	46 Å²	46	12%	0.118	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145.1	177	-56.9	-99.1	0	0	0	111.6	I217 K219 R222 D233 A234 P235 E271	I217-Y224 WeakPolarHBondContact CG1-O 3.31Å; I217-Y224 PolarHBondContact N-O 3.32Å; I217-Y224 PolarHBondContact O-N 3.47Å; K219-Y224 HydrophobicContact CB-CD2 4.16Å; K219-Y224 HydrophobicContact CB-CE2 3.87Å; K219-Y224 HydrophobicContact CD-CD2 4.23Å; K219-Y224 HydrophobicContact CD-CE2 4.31Å; K219-Y224 HydrophobicContact CG-CD2 4.48Å; R222-Y224 HydrophobicContact CB-CD2 4.49Å; R222-Y224 HydrophobicContact CB-CE2 3.67Å; R222-Y224 WeakPolarHBondContact O-CD2 3.44Å; Y224-D233 HydrophobicContact CD1-CB 4.31Å; Y224-D233 HydrophobicContact CG-CB 4.32Å; Y224-A234 WeakPolarHBondContact CA-O 3.26Å; Y224-P235 HydrophobicContact CD1-CB 4.45Å; Y224-P235 HydrophobicContact CD1-CG 4.09Å; Y224-P235 HydrophobicContact CE1-CB 4.46Å; Y224-P235 HydrophobicContact CE1-CG 3.9Å; Y224-E271 PolarHBondContact OH-OE1 2.79Å; Y224-E271 PolarHBondContact OH-OE2 3.17Å
225	L	94.8	Very high	91.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123.8	168.2	-172.1	146.6	0	0	0	109.6	T214 H227 L230 A234 I236 I239 I316 L334	T214-L225 HydrophobicContact CG2-CD1 3.65Å; T214-L225 HydrophobicContact CG2-CD2 4.08Å; T214-L225 HydrophobicContact CG2-CG 3.79Å; L225-H227 HydrophobicContact CD2-CB 3.95Å; L225-L230 HydrophobicContact CD2-CD1 4.11Å; L225-A234 PolarHBondContact N-O 3.28Å; L225-A234 PolarHBondContact O-N 3.35Å; L225-I236 HydrophobicContact CB-CD1 4.26Å; L225-I236 HydrophobicContact CD1-CD1 4.45Å; L225-I239 HydrophobicContact CB-CD1 3.35Å; L225-I239 HydrophobicContact CD1-CD1 3.8Å; L225-I239 HydrophobicContact CD2-CD1 4.13Å; L225-I239 HydrophobicContact CG-CD1 3.95Å; L225-I316 HydrophobicContact CD1-CG2 4.11Å; L225-I316 HydrophobicContact CD2-CD1 4.06Å; L225-L334 HydrophobicContact CD1-CD1 4.01Å
226	R	92.6	Very high	91.7	Very high	94 Å²	94	44.7 Å²	44.7	36%	0.355	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.8	173.8	177.8	177.3	-64.9	158.2	0.5	110	N215 D233	N215-R226 HydrophobicContact CB-CB 4.22Å; N215-R226 PolarHBondContact N-O 3.27Å; N215-R226 VanDerWaalsContact N-O 3.1Å; N215-R226 PolarHBondContact O-N 2.94Å; R226-D233 VanDerWaalsContact CB-OD1 3.28Å; R226-D233 WeakPolarHBondContact CB-OD1 3.44Å; R226-D233 VanDerWaalsContact CG-OD1 3.23Å; R226-D233 WeakPolarHBondContact CG-OD1 3.47Å; R226-D233 IonicContact CZ-OD1 2.6Å; R226-D233 IonicContact CZ-OD2 3.57Å; R226-D233 IonicContact NE-OD1 3.34Å; R226-D233 PolarHBondContact NE-OD1 3.1Å; R226-D233 IonicContact NE-OD2 2.77Å; R226-D233 PolarHBondContact NE-OD2 3.32Å; R226-D233 IonicContact NH2-OD1 3.69Å; R226-D233 IonicContact NH2-OD2 2.84Å; R226-D233 PolarHBondContact NH2-OD2 2.88Å
227	H	91.4	Very high	91.8	Very high	13 Å²	13	44.6 Å²	44.6	6%	0.06	22%	0.224	C	C	.	.			trans	-142.7	145.5	175.1	-170.3	-96.9	0	0	0	111.1	R213 L225 T229 L230	R213-H227 PolarHBondContact O-CD2 3.31Å; L225-H227 HydrophobicContact CD2-CB 3.95Å; H227-T229 PolarHBondContact CE1-OG1 3.25Å; H227-T229 PolarHBondContact ND1-N 3.44Å; H227-T229 PolarHBondContact ND1-OG1 3.09Å; H227-T229 PolarHBondContact O-N 3.18Å; H227-T229 VanDerWaalsContact O-N 3.12Å; H227-L230 HydrophobicContact CB-CD1 4.13Å; H227-L230 HydrophobicContact CB-CG 4.35Å; H227-L230 PolarHBondContact O-N 2.82Å
228	N	87.1	Confident	91.9	Very high	120 Å²	120	43.4 Å²	43.4	64%	0.642	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.7	-171.8	-69	-16.4	0	0	0	114.6
229	T	87.1	Confident	92.1	Very high	33 Å²	33	42.5 Å²	42.5	20%	0.202	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-13.8	178.5	57.4	0	0	0	0	113.2	H227 R292 L311 L315	H227-T229 PolarHBondContact CE1-OG1 3.25Å; H227-T229 PolarHBondContact ND1-N 3.44Å; H227-T229 PolarHBondContact ND1-OG1 3.09Å; H227-T229 PolarHBondContact O-N 3.18Å; H227-T229 VanDerWaalsContact O-N 3.12Å; T229-R292 WeakPolarHBondContact O-CB 3.41Å; T229-R292 WeakPolarHBondContact O-CG 3.49Å; T229-R292 PolarHBondContact O-N 3.39Å; T229-L311 HydrophobicContact CG2-CD1 4.48Å; T229-L311 WeakPolarHBondContact OG1-CD1 3.21Å; T229-L315 HydrophobicContact CG2-CD1 4.39Å
230	L	88.5	Confident	92.3	Very high	7 Å²	7	38 Å²	38	4%	0.037	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-84.9	142.5	175	-62.6	173.1	0	0	0	109.4	L225 H227 E232 A234 K290 V291 R292 L311	L225-L230 HydrophobicContact CD2-CD1 4.11Å; H227-L230 HydrophobicContact CB-CD1 4.13Å; H227-L230 HydrophobicContact CB-CG 4.35Å; H227-L230 PolarHBondContact O-N 2.82Å; L230-E232 WeakPolarHBondContact CB-O 3.5Å; L230-A234 HydrophobicContact CD1-CB 4.1Å; L230-K290 CarbonylContact C-O 3.33Å; L230-K290 WeakPolarHBondContact CA-O 3.48Å; L230-V291 HydrophobicContact CD2-CG2 4.41Å; L230-R292 PolarHBondContact O-NE 3.04Å; L230-L311 HydrophobicContact CD2-CD2 3.67Å; L230-L311 HydrophobicContact CG-CD2 4.41Å
231	S	90.6	Very high	92.7	Very high	54 Å²	54	30 Å²	30	38%	0.378	16%	0.155	S	C	.	.	S	Bend	trans	-66.8	-43	173.5	56.1	0	0	0	0	110.8	K290 R292	S231-K290 PolarHBondContact N-O 2.81Å; S231-K290 PolarHBondContact OG-O 3.21Å; S231-K290 VanDerWaalsContact OG-O 3.06Å; S231-R292 PolarHBondContact O-NH2 2.91Å
232	E	91.5	Very high	93	Very high	116 Å²	116	28.1 Å²	28.1	54%	0.542	14%	0.137	S	C	.	.	S	Bend	trans	-131.3	160	-177.3	-64.9	174.9	179.6	0	0	111.1	L230 K290	L230-E232 WeakPolarHBondContact CB-O 3.5Å; E232-K290 HydrophobicContact CB-CD 4.36Å; E232-K290 WeakPolarHBondContact OE2-CE 3.46Å; E232-K290 IonicContact OE2-NZ 2.68Å; E232-K290 PolarHBondContact OE2-NZ 3.48Å
233	D	93.4	Very high	93.1	Very high	30 Å²	30	24.7 Å²	24.7	16%	0.16	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-64.3	134.5	173.8	-54.8	-34.3	0	0	0	109.4	I217 K219 Y224 R226	I217-D233 HydrophobicContact CD1-CB 4.26Å; I217-D233 WeakPolarHBondContact CD1-OD2 3.27Å; K219-D233 IonicContact NZ-OD2 3.17Å; K219-D233 PolarHBondContact NZ-OD2 3.08Å; Y224-D233 HydrophobicContact CD1-CB 4.31Å; Y224-D233 HydrophobicContact CG-CB 4.32Å; R226-D233 VanDerWaalsContact CB-OD1 3.28Å; R226-D233 WeakPolarHBondContact CB-OD1 3.44Å; R226-D233 VanDerWaalsContact CG-OD1 3.23Å; R226-D233 WeakPolarHBondContact CG-OD1 3.47Å; R226-D233 IonicContact CZ-OD1 2.6Å; R226-D233 IonicContact CZ-OD2 3.57Å; R226-D233 IonicContact NE-OD1 3.34Å; R226-D233 PolarHBondContact NE-OD1 3.1Å; R226-D233 IonicContact NE-OD2 2.77Å; R226-D233 PolarHBondContact NE-OD2 3.32Å; R226-D233 IonicContact NH2-OD1 3.69Å; R226-D233 IonicContact NH2-OD2 2.84Å; R226-D233 PolarHBondContact NH2-OD2 2.88Å
234	A	93.8	Very high	92.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.2	-175.8	0	0	0	0	0	111	Y224 L225 L230 I239 L287	Y224-A234 WeakPolarHBondContact CA-O 3.26Å; L225-A234 PolarHBondContact N-O 3.28Å; L225-A234 PolarHBondContact O-N 3.35Å; L230-A234 HydrophobicContact CD1-CB 4.1Å; A234-I239 HydrophobicContact CB-CD1 3.95Å; A234-I239 HydrophobicContact CB-CG1 4.29Å; A234-L287 HydrophobicContact CB-CD2 3.87Å
235	P	95.9	Very high	92.7	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.032	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	137.4	176.4	-24.1	32.6	0	0	0	111.9	Y224 A237 I238 I239	Y224-P235 HydrophobicContact CD1-CB 4.45Å; Y224-P235 HydrophobicContact CD1-CG 4.09Å; Y224-P235 HydrophobicContact CE1-CB 4.46Å; Y224-P235 HydrophobicContact CE1-CG 3.9Å; P235-A237 PolarHBondContact O-N 3.13Å; P235-I238 HydrophobicContact CB-CD1 3.92Å; P235-I238 HydrophobicContact CB-CG1 4.29Å; P235-I238 HydrophobicContact CG-CD1 3.79Å; P235-I238 PolarHBondContact O-N 3.07Å; P235-I239 PolarHBondContact O-N 2.97Å
236	I	95.3	Very high	92.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-68.7	-35.2	-169.3	-161.3	63.5	0	0	0	113.7	M216 F223 L225 I238 I239 F240 F265 L334 V338	M216-I236 HydrophobicContact CE-CD1 3.42Å; M216-I236 VanDerWaalsContact CE-CD1 3.42Å; M216-I236 HydrophobicContact CE-CG1 4Å; M216-I236 HydrophobicContact SD-CD1 4.11Å; M216-I236 HydrophobicContact SD-CG1 4.4Å; F223-I236 HydrophobicContact CB-CB 4.21Å; F223-I236 HydrophobicContact CB-CG2 3.65Å; F223-I236 PolarHBondContact O-N 3.06Å; L225-I236 HydrophobicContact CB-CD1 4.26Å; L225-I236 HydrophobicContact CD1-CD1 4.45Å; I236-I238 VanDerWaalsContact C-N 3.28Å; I236-I238 PolarHBondContact O-N 3.4Å; I236-I239 HydrophobicContact CD1-CD1 4.3Å; I236-I239 WeakPolarHBondContact O-CB 3.3Å; I236-I239 PolarHBondContact O-N 3.45Å; I236-F240 HydrophobicContact CG1-CD2 4.2Å; I236-F240 HydrophobicContact CG1-CE2 3.83Å; I236-F240 VanDerWaalsContact O-CD2 3.32Å; I236-F240 WeakPolarHBondContact O-CD2 3.48Å; I236-F240 PolarHBondContact O-N 2.64Å; I236-F240 VanDerWaalsContact O-N 3.09Å; I236-F265 HydrophobicContact CG2-CE2 3.5Å; I236-F265 VanDerWaalsContact CG2-CE2 3.5Å; I236-F265 HydrophobicContact CG2-CZ 3.75Å; I236-L334 HydrophobicContact CD1-CD1 3.87Å; I236-L334 HydrophobicContact CD1-CD2 3.61Å; I236-L334 HydrophobicContact CD1-CG 3.82Å; I236-L334 HydrophobicContact CG1-CD2 4.37Å; I236-L334 HydrophobicContact CG1-CG 4.49Å; I236-V338 HydrophobicContact CG1-CG2 3.92Å
237	A	95.1	Very high	92.7	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-38.5	176.9	0	0	0	0	0	111.9	P235 I239 F240 K241 L269 C272	P235-A237 PolarHBondContact O-N 3.13Å; A237-I239 VanDerWaalsContact C-N 3.29Å; A237-I239 PolarHBondContact O-N 3.06Å; A237-F240 PolarHBondContact O-N 2.76Å; A237-K241 PolarHBondContact O-N 2.77Å; A237-K241 VanDerWaalsContact O-N 3.16Å; A237-L269 HydrophobicContact CB-CD2 4.14Å; A237-C272 HydrophobicContact CB-CB 3.78Å
238	I	95.3	Very high	92.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-66.2	-33.7	176	-60.6	169.6	0	0	0	111	P235 I236 G242 C272 I277 A283 F286	P235-I238 HydrophobicContact CB-CD1 3.92Å; P235-I238 HydrophobicContact CB-CG1 4.29Å; P235-I238 HydrophobicContact CG-CD1 3.79Å; P235-I238 PolarHBondContact O-N 3.07Å; I236-I238 VanDerWaalsContact C-N 3.28Å; I236-I238 PolarHBondContact O-N 3.4Å; I238-G242 PolarHBondContact O-N 3.23Å; I238-C272 HydrophobicContact CG1-CB 4.31Å; I238-I277 HydrophobicContact CD1-CD1 3.56Å; I238-I277 HydrophobicContact CG1-CD1 3.86Å; I238-I277 HydrophobicContact CG2-CD1 4.06Å; I238-I277 HydrophobicContact CG2-CG2 4.4Å; I238-A283 HydrophobicContact CG2-CB 4.05Å; I238-F286 HydrophobicContact CD1-CD1 4.09Å; I238-F286 HydrophobicContact CD1-CE1 3.67Å; I238-F286 HydrophobicContact CD1-CZ 3.94Å; I238-F286 HydrophobicContact CG2-CD1 3.82Å; I238-F286 HydrophobicContact CG2-CE1 4.35Å; I238-F286 HydrophobicContact CG2-CG 4.47Å
239	I	95.2	Very high	93	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-69.8	-41.8	178.5	-63.5	179	0	0	0	111.1	L225 A234 P235 I236 A237 G242 M243 L287 L312 L334	L225-I239 HydrophobicContact CB-CD1 3.35Å; L225-I239 HydrophobicContact CD1-CD1 3.8Å; L225-I239 HydrophobicContact CD2-CD1 4.13Å; L225-I239 HydrophobicContact CG-CD1 3.95Å; A234-I239 HydrophobicContact CB-CD1 3.95Å; A234-I239 HydrophobicContact CB-CG1 4.29Å; P235-I239 PolarHBondContact O-N 2.97Å; I236-I239 HydrophobicContact CD1-CD1 4.3Å; I236-I239 WeakPolarHBondContact O-CB 3.3Å; I236-I239 PolarHBondContact O-N 3.45Å; A237-I239 VanDerWaalsContact C-N 3.29Å; A237-I239 PolarHBondContact O-N 3.06Å; I239-G242 PolarHBondContact O-N 3.45Å; I239-M243 HydrophobicContact CG2-CE 3.79Å; I239-M243 WeakPolarHBondContact O-CG 3.45Å; I239-M243 PolarHBondContact O-N 3.41Å; I239-L287 HydrophobicContact CG1-CD2 4.34Å; I239-L312 HydrophobicContact CG2-CD2 4.05Å; I239-L334 HydrophobicContact CG2-CD2 3.82Å
240	F	95.8	Very high	93.2	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.1	-47.6	173.2	-79.9	-70.4	0	0	0	111.8	I236 A237 G242 M243 G244 V245 I251 M254 I255 C331 L334 A335	I236-F240 HydrophobicContact CG1-CD2 4.2Å; I236-F240 HydrophobicContact CG1-CE2 3.83Å; I236-F240 VanDerWaalsContact O-CD2 3.32Å; I236-F240 WeakPolarHBondContact O-CD2 3.48Å; I236-F240 PolarHBondContact O-N 2.64Å; I236-F240 VanDerWaalsContact O-N 3.09Å; A237-F240 PolarHBondContact O-N 2.76Å; F240-G242 VanDerWaalsContact C-N 3.32Å; F240-G242 PolarHBondContact O-N 3.04Å; F240-M243 PolarHBondContact O-N 2.97Å; F240-M243 VanDerWaalsContact O-N 3.11Å; F240-G244 PolarHBondContact O-N 3.26Å; F240-V245 CarbonylContact C-O 3.6Å; F240-V245 PolarHBondContact O-N 3.29Å; F240-V245 VanDerWaalsContact O-N 3.13Å; F240-I251 HydrophobicContact CB-CD1 3.57Å; F240-I251 HydrophobicContact CB-CG1 3.83Å; F240-I251 HydrophobicContact CB-CG2 4.48Å; F240-I251 HydrophobicContact CD2-CG2 3.69Å; F240-I251 HydrophobicContact CE2-CG2 4Å; F240-I251 HydrophobicContact CG-CD1 4.27Å; F240-I251 HydrophobicContact CG-CG1 4.12Å; F240-I251 HydrophobicContact CG-CG2 4.06Å; F240-M254 HydrophobicContact CD1-CE 4.13Å; F240-M254 HydrophobicContact CE1-CE 4.07Å; F240-I255 HydrophobicContact CE2-CD1 4.36Å; F240-C331 HydrophobicContact CD1-CB 4.26Å; F240-C331 HydrophobicContact CE1-CB 4.25Å; F240-C331 WeakPolarHBondContact CE1-O 3.35Å; F240-L334 HydrophobicContact CE1-CB 4.36Å; F240-L334 HydrophobicContact CE1-CD2 4.32Å; F240-L334 HydrophobicContact CE2-CD2 4.37Å; F240-L334 HydrophobicContact CZ-CB 4.25Å; F240-L334 HydrophobicContact CZ-CD2 4.17Å; F240-L334 HydrophobicContact CZ-CG 4.15Å; F240-A335 HydrophobicContact CE1-CB 4.23Å; F240-A335 HydrophobicContact CZ-CB 3.99Å
241	K	94.9	Very high	93.5	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-39.5	174.5	-65.4	-172.5	-171.7	-75.2	0	112	A237 M243 G244 V245 E246 D248 I251 I277 Q280 A283	A237-K241 PolarHBondContact O-N 2.77Å; A237-K241 VanDerWaalsContact O-N 3.16Å; K241-M243 VanDerWaalsContact C-N 3.28Å; K241-M243 PolarHBondContact O-N 3.11Å; K241-G244 PolarHBondContact O-N 3.01Å; K241-V245 WeakPolarHBondContact CA-O 3.15Å; K241-E246 PolarHBondContact NZ-O 3.3Å; K241-D248 WeakPolarHBondContact CE-OD1 3.5Å; K241-D248 VanDerWaalsContact NZ-CG 3.27Å; K241-D248 IonicContact NZ-OD1 2.88Å; K241-D248 PolarHBondContact NZ-OD1 3.32Å; K241-D248 IonicContact NZ-OD2 3.42Å; K241-D248 PolarHBondContact NZ-OD2 3Å; K241-I251 HydrophobicContact CG-CD1 4.49Å; K241-I277 HydrophobicContact CD-CG2 4.45Å; K241-I277 WeakPolarHBondContact CD-O 3.22Å; K241-I277 WeakPolarHBondContact CE-O 3.24Å; K241-Q280 WeakPolarHBondContact O-CA 3.44Å; K241-Q280 WeakPolarHBondContact O-CB 3.36Å; K241-Q280 WeakPolarHBondContact O-CG 3.31Å; K241-A283 HydrophobicContact CB-CB 4.02Å
242	G	92.9	Very high	93.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.7	-31.3	175	0	0	0	0	0	114	I238 I239 F240 G244 Q280	I238-G242 PolarHBondContact O-N 3.23Å; I239-G242 PolarHBondContact O-N 3.45Å; F240-G242 VanDerWaalsContact C-N 3.32Å; F240-G242 PolarHBondContact O-N 3.04Å; G242-G244 VanDerWaalsContact C-N 3.3Å; G242-Q280 WeakPolarHBondContact O-CG 3.44Å; G242-Q280 PolarHBondContact O-NE2 3.19Å
243	M	93.3	Very high	93.6	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.039	15%	0.148	C	C	.	.	H	α-helix	trans	-80.7	-7.2	174.1	-70.2	-174.4	-174.9	0	0	113.4	I239 F240 K241 L312 F327 K330 C331 L334	I239-M243 HydrophobicContact CG2-CE 3.79Å; I239-M243 WeakPolarHBondContact O-CG 3.45Å; I239-M243 PolarHBondContact O-N 3.41Å; F240-M243 PolarHBondContact O-N 2.97Å; F240-M243 VanDerWaalsContact O-N 3.11Å; K241-M243 VanDerWaalsContact C-N 3.28Å; K241-M243 PolarHBondContact O-N 3.11Å; M243-L312 HydrophobicContact CE-CD2 3.79Å; M243-L312 HydrophobicContact CG-CD1 4.27Å; M243-L312 HydrophobicContact CG-CD2 4.44Å; M243-F327 HydrophobicContact CB-CB 3.7Å; M243-F327 HydrophobicContact CB-CG 4.05Å; M243-F327 HydrophobicContact CG-CB 4.1Å; M243-F327 HydrophobicContact CG-CD1 4.24Å; M243-F327 HydrophobicContact CG-CG 4.18Å; M243-F327 WeakPolarHBondContact O-CB 3.39Å; M243-F327 VanDerWaalsContact O-CD2 3.31Å; M243-F327 WeakPolarHBondContact O-CD2 3.19Å; M243-F327 HydrophobicContact SD-CB 4.48Å; M243-K330 HydrophobicContact CE-CD 3.81Å; M243-K330 HydrophobicContact CE-CG 3.91Å; M243-K330 HydrophobicContact SD-CB 4.36Å; M243-K330 HydrophobicContact SD-CD 4.43Å; M243-K330 HydrophobicContact SD-CG 4.15Å; M243-C331 WeakPolarHBondContact CB-SG 3.11Å; M243-L334 HydrophobicContact CE-CD2 4.36Å
244	G	90.8	Very high	93.5	Very high	39 Å²	39	25.5 Å²	25.5	40%	0.402	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.3	4.9	174.9	0	0	0	0	0	115.2	F240 K241 G242 E246	F240-G244 PolarHBondContact O-N 3.26Å; K241-G244 PolarHBondContact O-N 3.01Å; G242-G244 VanDerWaalsContact C-N 3.3Å; G244-E246 PolarHBondContact O-N 2.89Å
245	V	92.5	Very high	93.4	Very high	10 Å²	10	25.6 Å²	25.6	6%	0.061	14%	0.142	C	C	.	.			trans	-91.1	89.3	170	-175.4	0	0	0	0	108	F240 K241 E250 I251 M254 C331	F240-V245 CarbonylContact C-O 3.6Å; F240-V245 PolarHBondContact O-N 3.29Å; F240-V245 VanDerWaalsContact O-N 3.13Å; K241-V245 WeakPolarHBondContact CA-O 3.15Å; V245-E250 HydrophobicContact CG1-CB 4Å; V245-E250 HydrophobicContact CG1-CG 4.01Å; V245-I251 HydrophobicContact CG1-CG1 3.85Å; V245-M254 HydrophobicContact CB-CE 4.43Å; V245-M254 HydrophobicContact CG1-CE 3.82Å; V245-M254 HydrophobicContact CG2-CE 4.21Å; V245-C331 HydrophobicContact CG2-CB 4.19Å
246	E	92.9	Very high	93.2	Very high	89 Å²	89	25.4 Å²	25.4	42%	0.416	14%	0.141	S	C	.	.			trans	-81.7	-30.8	-175.7	-62	-170.5	158	0	0	112.8	K241 G244 D248 T279 Q280	K241-E246 PolarHBondContact NZ-O 3.3Å; G244-E246 PolarHBondContact O-N 2.89Å; E246-D248 PolarHBondContact O-N 2.98Å; E246-T279 WeakPolarHBondContact OE1-CA 3.5Å; E246-Q280 WeakPolarHBondContact OE1-CB 3.3Å; E246-Q280 PolarHBondContact OE1-N 3.46Å
247	S	93.6	Very high	92.9	Very high	58 Å²	58	28 Å²	28	41%	0.406	16%	0.156	S	C	.	.			trans	-69.8	115	179.1	-178.5	0	0	0	0	111.1	Q249 E250 I251	S247-Q249 PolarHBondContact O-N 3.35Å; S247-E250 PolarHBondContact O-N 3.29Å; S247-E250 VanDerWaalsContact O-N 3.14Å; S247-I251 PolarHBondContact O-N 3.47Å
248	D	93	Very high	92.7	Very high	64 Å²	64	30.7 Å²	30.7	34%	0.342	17%	0.169	S	C	.	.	H	α-helix	trans	-64.1	-30.4	177.2	-66.1	-39	0	0	0	111.7	K241 E246 E250 I251 V252 L269	K241-D248 WeakPolarHBondContact CE-OD1 3.5Å; K241-D248 VanDerWaalsContact NZ-CG 3.27Å; K241-D248 IonicContact NZ-OD1 2.88Å; K241-D248 PolarHBondContact NZ-OD1 3.32Å; K241-D248 IonicContact NZ-OD2 3.42Å; K241-D248 PolarHBondContact NZ-OD2 3Å; E246-D248 PolarHBondContact O-N 2.98Å; D248-E250 VanDerWaalsContact C-N 3.32Å; D248-E250 PolarHBondContact O-N 2.9Å; D248-I251 PolarHBondContact O-N 2.95Å; D248-V252 WeakPolarHBondContact O-CG2 3.39Å; D248-V252 PolarHBondContact O-N 3.49Å; D248-V252 VanDerWaalsContact O-N 3.07Å; D248-L269 HydrophobicContact CB-CD2 4.27Å
249	Q	92.1	Very high	92.4	Very high	132 Å²	132	38.4 Å²	38.4	62%	0.617	21%	0.205	S	C	*	.	H	α-helix	trans	-59.3	-44.2	173.6	-179.1	178.5	-3.7	0	0	111.2	S247 V252 Q253	S247-Q249 PolarHBondContact O-N 3.35Å; Q249-V252 PolarHBondContact O-N 3.41Å; Q249-Q253 HydrophobicContact CG-CG 4.49Å; Q249-Q253 WeakPolarHBondContact O-CB 3.5Å; Q249-Q253 VanDerWaalsContact O-CG 3.32Å; Q249-Q253 WeakPolarHBondContact O-CG 3.27Å; Q249-Q253 PolarHBondContact O-N 3.39Å
250	E	91.3	Very high	92.2	Very high	54 Å²	54	43.3 Å²	43.3	25%	0.252	23%	0.228	S	C	.	.	H	α-helix	trans	-69	-36.6	-179.8	-172.2	172.3	-165.5	0	0	111.8	V245 S247 D248 V252 Q253 M254 R328	V245-E250 HydrophobicContact CG1-CB 4Å; V245-E250 HydrophobicContact CG1-CG 4.01Å; S247-E250 PolarHBondContact O-N 3.29Å; S247-E250 VanDerWaalsContact O-N 3.14Å; D248-E250 VanDerWaalsContact C-N 3.32Å; D248-E250 PolarHBondContact O-N 2.9Å; E250-V252 VanDerWaalsContact C-N 3.33Å; E250-V252 PolarHBondContact O-N 3.46Å; E250-Q253 PolarHBondContact O-N 3Å; E250-M254 HydrophobicContact CG-CE 4.31Å; E250-M254 HydrophobicContact CG-CG 4.49Å; E250-M254 WeakPolarHBondContact O-CB 3.35Å; E250-M254 WeakPolarHBondContact O-CG 3.32Å; E250-M254 PolarHBondContact O-N 3.2Å; E250-R328 IonicContact OE1-CZ 3.92Å; E250-R328 IonicContact OE1-NH1 3.79Å; E250-R328 PolarHBondContact OE1-NH1 3.43Å; E250-R328 IonicContact OE1-NH2 3.2Å; E250-R328 PolarHBondContact OE1-NH2 2.68Å
251	I	93.6	Very high	91.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.5	-47.8	174.1	-61.4	172.6	0	0	0	110.2	F240 K241 V245 S247 D248 M254 I255 F265	F240-I251 HydrophobicContact CB-CD1 3.57Å; F240-I251 HydrophobicContact CB-CG1 3.83Å; F240-I251 HydrophobicContact CB-CG2 4.48Å; F240-I251 HydrophobicContact CD2-CG2 3.69Å; F240-I251 HydrophobicContact CE2-CG2 4Å; F240-I251 HydrophobicContact CG-CD1 4.27Å; F240-I251 HydrophobicContact CG-CG1 4.12Å; F240-I251 HydrophobicContact CG-CG2 4.06Å; K241-I251 HydrophobicContact CG-CD1 4.49Å; V245-I251 HydrophobicContact CG1-CG1 3.85Å; S247-I251 PolarHBondContact O-N 3.47Å; D248-I251 PolarHBondContact O-N 2.95Å; I251-M254 PolarHBondContact O-N 2.69Å; I251-I255 HydrophobicContact CG2-CD1 4.03Å; I251-I255 WeakPolarHBondContact O-CG1 3.34Å; I251-I255 PolarHBondContact O-N 3.47Å; I251-F265 HydrophobicContact CG2-CE1 3.77Å; I251-F265 HydrophobicContact CG2-CZ 4Å
252	V	93.9	Very high	91.7	Very high	29 Å²	29	47 Å²	47	18%	0.176	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-48.2	179.2	176.6	0	0	0	0	110.8	D248 Q249 E250 M254 I255 G256 M262 F265 L269	D248-V252 WeakPolarHBondContact O-CG2 3.39Å; D248-V252 PolarHBondContact O-N 3.49Å; D248-V252 VanDerWaalsContact O-N 3.07Å; Q249-V252 PolarHBondContact O-N 3.41Å; E250-V252 VanDerWaalsContact C-N 3.33Å; E250-V252 PolarHBondContact O-N 3.46Å; V252-M254 VanDerWaalsContact C-N 3.31Å; V252-M254 PolarHBondContact O-N 3.15Å; V252-I255 PolarHBondContact O-N 3.27Å; V252-G256 PolarHBondContact O-N 2.83Å; V252-M262 HydrophobicContact CG1-CB 4.48Å; V252-M262 HydrophobicContact CG1-CG 3.67Å; V252-M262 HydrophobicContact CG1-SD 3.96Å; V252-F265 HydrophobicContact CG2-CD1 4.44Å; V252-L269 HydrophobicContact CG2-CD1 3.53Å
253	Q	91.8	Very high	91.7	Very high	36 Å²	36	50.1 Å²	50.1	17%	0.168	27%	0.272	C	S	.	.	H	α-helix	trans	-56.9	-42.6	179.1	-76.3	174.8	-25.7	0	0	112.2	Q249 E250 I255 T257 G527 E528	Q249-Q253 HydrophobicContact CG-CG 4.49Å; Q249-Q253 WeakPolarHBondContact O-CB 3.5Å; Q249-Q253 VanDerWaalsContact O-CG 3.32Å; Q249-Q253 WeakPolarHBondContact O-CG 3.27Å; Q249-Q253 PolarHBondContact O-N 3.39Å; E250-Q253 PolarHBondContact O-N 3Å; Q253-I255 VanDerWaalsContact C-N 3.32Å; Q253-I255 PolarHBondContact O-N 2.96Å; Q253-T257 HydrophobicContact CG-CG2 4.39Å; Q253-G527 CarbonylContact O-C 3.52Å; Q253-E528 HydrophobicContact CG-CB 4.49Å
254	M	90.8	Very high	91.7	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-65.4	-31.6	177.5	-73.5	-173.8	-63.6	0	0	113.4	F240 V245 E250 I251 V252 R328 C331 I332 A335	F240-M254 HydrophobicContact CD1-CE 4.13Å; F240-M254 HydrophobicContact CE1-CE 4.07Å; V245-M254 HydrophobicContact CB-CE 4.43Å; V245-M254 HydrophobicContact CG1-CE 3.82Å; V245-M254 HydrophobicContact CG2-CE 4.21Å; E250-M254 HydrophobicContact CG-CE 4.31Å; E250-M254 HydrophobicContact CG-CG 4.49Å; E250-M254 WeakPolarHBondContact O-CB 3.35Å; E250-M254 WeakPolarHBondContact O-CG 3.32Å; E250-M254 PolarHBondContact O-N 3.2Å; I251-M254 PolarHBondContact O-N 2.69Å; V252-M254 VanDerWaalsContact C-N 3.31Å; V252-M254 PolarHBondContact O-N 3.15Å; M254-R328 PolarHBondContact SD-NH1 3.23Å; M254-R328 VanDerWaalsContact SD-NH1 3.42Å; M254-C331 HydrophobicContact SD-CB 4.46Å; M254-I332 HydrophobicContact SD-CG1 4.26Å; M254-A335 HydrophobicContact CB-CB 3.77Å
255	I	92.4	Very high	91.9	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-80	-43.9	179.1	-65.6	168.3	0	0	0	110.3	F240 I251 V252 Q253 V261 F265 A335 V338 R339 I342	F240-I255 HydrophobicContact CE2-CD1 4.36Å; I251-I255 HydrophobicContact CG2-CD1 4.03Å; I251-I255 WeakPolarHBondContact O-CG1 3.34Å; I251-I255 PolarHBondContact O-N 3.47Å; V252-I255 PolarHBondContact O-N 3.27Å; Q253-I255 VanDerWaalsContact C-N 3.32Å; Q253-I255 PolarHBondContact O-N 2.96Å; I255-V261 HydrophobicContact CG2-CG1 3.74Å; I255-F265 HydrophobicContact CD1-CD1 3.79Å; I255-F265 HydrophobicContact CD1-CD2 3.67Å; I255-F265 HydrophobicContact CD1-CE1 3.51Å; I255-F265 HydrophobicContact CD1-CE2 3.38Å; I255-F265 HydrophobicContact CD1-CG 3.86Å; I255-F265 HydrophobicContact CD1-CZ 3.3Å; I255-A335 HydrophobicContact CG1-CB 4.18Å; I255-V338 HydrophobicContact CD1-CB 4.5Å; I255-V338 HydrophobicContact CD1-CG1 4.05Å; I255-V338 HydrophobicContact CG1-CB 4.46Å; I255-V338 HydrophobicContact CG1-CG1 4.36Å; I255-V338 HydrophobicContact CG2-CG1 4.04Å; I255-R339 HydrophobicContact CG2-CB 4.47Å; I255-R339 WeakPolarHBondContact O-CB 3.38Å; I255-R339 WeakPolarHBondContact O-CD 3.32Å; I255-R339 WeakPolarHBondContact O-CG 3.4Å; I255-R339 PolarHBondContact O-NH1 3.25Å; I255-I342 HydrophobicContact CG2-CD1 3.82Å
256	G	90.4	Very high	91.9	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.01	28%	0.28	C	S	.	.			trans	164	140.9	179	0	0	0	0	0	112.9	V252 M262 R339 S531	V252-G256 PolarHBondContact O-N 2.83Å; G256-M262 WeakPolarHBondContact O-CG 3.09Å; G256-R339 VanDerWaalsContact CA-NH1 3.31Å; G256-S531 WeakPolarHBondContact CA-OG 3.21Å
257	T	90.3	Very high	92	Very high	54 Å²	54	49.4 Å²	49.4	33%	0.331	27%	0.273	S	S	.	.			trans	-93.5	-0.8	174.4	54.6	0	0	0	0	113.5	Q253 M262 E528 S531	Q253-T257 HydrophobicContact CG-CG2 4.39Å; T257-M262 VanDerWaalsContact O-CE 3.31Å; T257-M262 WeakPolarHBondContact O-CE 3.42Å; T257-E528 HydrophobicContact CG2-CG 4.13Å; T257-S531 PolarHBondContact N-OG 3.28Å; T257-S531 WeakPolarHBondContact OG1-CB 3.25Å
258	E	89.3	Confident	92.1	Very high	58 Å²	58	46.6 Å²	46.6	27%	0.271	25%	0.254	S	S	.	.	S	Bend	trans	-72	140.4	175.1	-55.5	110.2	158.7	0	0	111.4	H260 V261 M262 R339	E258-H260 VanDerWaalsContact C-N 3.33Å; E258-H260 PolarHBondContact O-N 3.19Å; E258-V261 HydrophobicContact CB-CB 4.48Å; E258-V261 HydrophobicContact CB-CG2 4.15Å; E258-V261 PolarHBondContact O-N 3.4Å; E258-V261 WeakPolarHBondContact OE2-CG2 3.49Å; E258-M262 WeakPolarHBondContact O-CG 3.4Å; E258-M262 PolarHBondContact O-N 3.39Å; E258-R339 VanDerWaalsContact CD-NH2 3.34Å; E258-R339 IonicContact OE1-CZ 2.97Å; E258-R339 IonicContact OE1-NH1 2.84Å; E258-R339 IonicContact OE1-NH2 3.72Å; E258-R339 PolarHBondContact OE1-NH2 3.23Å; E258-R339 IonicContact OE2-CZ 3.19Å; E258-R339 IonicContact OE2-NH1 2.88Å; E258-R339 PolarHBondContact OE2-NH1 2.75Å; E258-R339 IonicContact OE2-NH2 3.14Å; E258-R339 PolarHBondContact OE2-NH2 3.39Å; E258-R339 VanDerWaalsContact OE2-NH2 3.15Å
259	E	89.6	Confident	92.1	Very high	163 Å²	163	45.2 Å²	45.2	76%	0.762	25%	0.246	S	C	*	.	H	α-helix	trans	-55.9	-44.3	-175.1	-172.7	174	-171.3	0	0	113.2	V261 M262 A263	E259-V261 VanDerWaalsContact C-N 3.31Å; E259-V261 PolarHBondContact O-N 3.06Å; E259-M262 PolarHBondContact O-N 3.34Å; E259-A263 WeakPolarHBondContact O-CB 3.41Å; E259-A263 PolarHBondContact O-N 3.24Å
260	H	90.1	Very high	92.2	Very high	104 Å²	104	43.5 Å²	43.5	48%	0.481	24%	0.238	S	C	.	.	H	α-helix	trans	-64.8	-33.3	178.7	73.7	-83.2	0	0	0	113	E258 S264	E258-H260 VanDerWaalsContact C-N 3.33Å; E258-H260 PolarHBondContact O-N 3.19Å; H260-S264 WeakPolarHBondContact O-CB 3.35Å; H260-S264 PolarHBondContact O-N 3.48Å; H260-S264 VanDerWaalsContact O-N 3.14Å; H260-S264 PolarHBondContact O-OG 3Å
261	V	91.1	Very high	92.3	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-72.4	-44.7	177.5	178.9	0	0	0	0	110.1	I255 E258 E259 S264 F265 I342 L343	I255-V261 HydrophobicContact CG2-CG1 3.74Å; E258-V261 HydrophobicContact CB-CB 4.48Å; E258-V261 HydrophobicContact CB-CG2 4.15Å; E258-V261 PolarHBondContact O-N 3.4Å; E258-V261 WeakPolarHBondContact OE2-CG2 3.49Å; E259-V261 VanDerWaalsContact C-N 3.31Å; E259-V261 PolarHBondContact O-N 3.06Å; V261-S264 PolarHBondContact O-N 3.47Å; V261-F265 PolarHBondContact O-N 2.86Å; V261-F265 VanDerWaalsContact O-N 3.09Å; V261-I342 HydrophobicContact CB-CG2 4.38Å; V261-I342 HydrophobicContact CG1-CD1 3.92Å; V261-I342 HydrophobicContact CG1-CG2 4.26Å; V261-I342 HydrophobicContact CG2-CG2 4.13Å; V261-L343 HydrophobicContact CG2-CD2 4.35Å
262	M	90.8	Very high	92.3	Very high	80 Å²	80	42.9 Å²	42.9	39%	0.394	24%	0.235	S	C	.	.	H	α-helix	trans	-60.9	-46.7	176.6	-65.8	-169	-70.3	0	0	111.6	V252 G256 T257 E258 E259 S264 F265 A266	V252-M262 HydrophobicContact CG1-CB 4.48Å; V252-M262 HydrophobicContact CG1-CG 3.67Å; V252-M262 HydrophobicContact CG1-SD 3.96Å; G256-M262 WeakPolarHBondContact O-CG 3.09Å; T257-M262 VanDerWaalsContact O-CE 3.31Å; T257-M262 WeakPolarHBondContact O-CE 3.42Å; E258-M262 WeakPolarHBondContact O-CG 3.4Å; E258-M262 PolarHBondContact O-N 3.39Å; E259-M262 PolarHBondContact O-N 3.34Å; M262-S264 VanDerWaalsContact C-N 3.31Å; M262-S264 PolarHBondContact O-N 3.18Å; M262-F265 PolarHBondContact O-N 2.91Å; M262-A266 PolarHBondContact O-N 3.19Å
263	A	92.4	Very high	92.3	Very high	65 Å²	65	47.4 Å²	47.4	54%	0.537	26%	0.255	S	S	.	.	H	α-helix	trans	-60.4	-40.6	178	0	0	0	0	0	112.2	E259 F265	E259-A263 WeakPolarHBondContact O-CB 3.41Å; E259-A263 PolarHBondContact O-N 3.24Å; A263-F265 VanDerWaalsContact C-N 3.32Å; A263-F265 PolarHBondContact O-N 2.89Å
264	S	92	Very high	92.3	Very high	46 Å²	46	52.8 Å²	52.8	32%	0.322	28%	0.277	S	S	.	.	H	α-helix	trans	-67.3	-32.5	178.2	-61.1	0	0	0	0	112.6	H260 V261 M262	H260-S264 WeakPolarHBondContact O-CB 3.35Å; H260-S264 PolarHBondContact O-N 3.48Å; H260-S264 VanDerWaalsContact O-N 3.14Å; H260-S264 PolarHBondContact O-OG 3Å; V261-S264 PolarHBondContact O-N 3.47Å; M262-S264 VanDerWaalsContact C-N 3.31Å; M262-S264 PolarHBondContact O-N 3.18Å
265	F	94.8	Very high	92.3	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.009	30%	0.295	C	S	.	.	H	α-helix	trans	-88.2	-25.7	-177.3	-168	-106.8	0	0	0	114.2	F223 I236 I251 V252 I255 V261 M262 A263 P267 S268 L269 V338 I342	F223-F265 AromaticContact CD2-CD2 3.71Å; F223-F265 HydrophobicContact CD2-CD2 3.71Å; F223-F265 HydrophobicContact CD2-CE2 4.11Å; F223-F265 HydrophobicContact CE2-CD2 4.04Å; I236-F265 HydrophobicContact CG2-CE2 3.5Å; I236-F265 VanDerWaalsContact CG2-CE2 3.5Å; I236-F265 HydrophobicContact CG2-CZ 3.75Å; I251-F265 HydrophobicContact CG2-CE1 3.77Å; I251-F265 HydrophobicContact CG2-CZ 4Å; V252-F265 HydrophobicContact CG2-CD1 4.44Å; I255-F265 HydrophobicContact CD1-CD1 3.79Å; I255-F265 HydrophobicContact CD1-CD2 3.67Å; I255-F265 HydrophobicContact CD1-CE1 3.51Å; I255-F265 HydrophobicContact CD1-CE2 3.38Å; I255-F265 HydrophobicContact CD1-CG 3.86Å; I255-F265 HydrophobicContact CD1-CZ 3.3Å; V261-F265 PolarHBondContact O-N 2.86Å; V261-F265 VanDerWaalsContact O-N 3.09Å; M262-F265 PolarHBondContact O-N 2.91Å; A263-F265 VanDerWaalsContact C-N 3.32Å; A263-F265 PolarHBondContact O-N 2.89Å; F265-P267 VanDerWaalsContact C-N 3.33Å; F265-P267 VanDerWaalsContact O-N 3.15Å; F265-S268 WeakPolarHBondContact O-CB 3.35Å; F265-S268 PolarHBondContact O-N 3.28Å; F265-L269 HydrophobicContact CD1-CD1 4.05Å; F265-L269 HydrophobicContact CD1-CD2 4.49Å; F265-L269 HydrophobicContact CD1-CG 3.98Å; F265-L269 HydrophobicContact CE1-CD1 4.2Å; F265-L269 HydrophobicContact CE1-CD2 3.83Å; F265-L269 HydrophobicContact CE1-CG 3.77Å; F265-V338 HydrophobicContact CD2-CG1 3.97Å; F265-V338 HydrophobicContact CE2-CG1 3.98Å; F265-I342 HydrophobicContact CB-CD1 4.36Å
266	A	93.8	Very high	92.4	Very high	41 Å²	41	60.6 Å²	60.6	34%	0.339	32%	0.322	S	S	.	.	H	α-helix	trans	-47.6	-42.2	-177.3	0	0	0	0	0	115	M262 S268 L269 E270	M262-A266 PolarHBondContact O-N 3.19Å; A266-S268 PolarHBondContact O-N 3.2Å; A266-S268 VanDerWaalsContact O-N 3.12Å; A266-L269 PolarHBondContact O-N 3.38Å; A266-E270 PolarHBondContact O-N 3.48Å; A266-E270 VanDerWaalsContact O-N 3.15Å
267	P	95.3	Very high	92.5	Very high	42 Å²	42	61 Å²	61	27%	0.273	32%	0.323	S	S	.	.	H	α-helix	trans	-59.9	-26.4	178.3	-25.4	35.7	0	0	0	114.5	R222 F265 E271	R222-P267 HydrophobicContact CG-CB 4.14Å; F265-P267 VanDerWaalsContact C-N 3.33Å; F265-P267 VanDerWaalsContact O-N 3.15Å; P267-E271 PolarHBondContact O-N 3.08Å
268	S	95.3	Very high	92.6	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-78.5	-28.1	178.2	-60.6	0	0	0	0	112.6	R222 F223 F265 A266 C272	R222-S268 WeakPolarHBondContact CA-OG 3.39Å; F223-S268 WeakPolarHBondContact CD2-OG 3.31Å; F223-S268 PolarHBondContact N-OG 3.27Å; F265-S268 WeakPolarHBondContact O-CB 3.35Å; F265-S268 PolarHBondContact O-N 3.28Å; A266-S268 PolarHBondContact O-N 3.2Å; A266-S268 VanDerWaalsContact O-N 3.12Å; S268-C272 PolarHBondContact O-N 3.09Å
269	L	93.9	Very high	92.8	Very high	34 Å²	34	62.2 Å²	62.2	18%	0.178	33%	0.328	C	S	.	.	H	α-helix	trans	-73.3	-43.2	173.2	-67.9	171.7	0	0	0	110.9	A237 D248 V252 F265 A266 E271 C272 Q273	A237-L269 HydrophobicContact CB-CD2 4.14Å; D248-L269 HydrophobicContact CB-CD2 4.27Å; V252-L269 HydrophobicContact CG2-CD1 3.53Å; F265-L269 HydrophobicContact CD1-CD1 4.05Å; F265-L269 HydrophobicContact CD1-CD2 4.49Å; F265-L269 HydrophobicContact CD1-CG 3.98Å; F265-L269 HydrophobicContact CE1-CD1 4.2Å; F265-L269 HydrophobicContact CE1-CD2 3.83Å; F265-L269 HydrophobicContact CE1-CG 3.77Å; A266-L269 PolarHBondContact O-N 3.38Å; L269-E271 PolarHBondContact O-N 3.21Å; L269-C272 WeakPolarHBondContact O-CB 3.32Å; L269-C272 PolarHBondContact O-N 3.35Å; L269-Q273 PolarHBondContact O-N 3.37Å
270	E	93.1	Very high	93	Very high	96 Å²	96	56.8 Å²	56.8	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-56.6	-39.2	175.1	-72.9	-172.9	-162	0	0	112.5	A266 C272 Q273 K274	A266-E270 PolarHBondContact O-N 3.48Å; A266-E270 VanDerWaalsContact O-N 3.15Å; E270-C272 VanDerWaalsContact C-N 3.35Å; E270-Q273 PolarHBondContact O-N 3.45Å; E270-K274 WeakPolarHBondContact O-CB 3.35Å; E270-K274 VanDerWaalsContact O-CG 3.25Å; E270-K274 WeakPolarHBondContact O-CG 3.29Å; E270-K274 PolarHBondContact O-N 2.8Å; E270-K274 IonicContact OE2-NZ 2.92Å; E270-K274 PolarHBondContact OE2-NZ 2.87Å
271	E	93.8	Very high	93.1	Very high	40 Å²	40	55.1 Å²	55.1	19%	0.187	30%	0.3	C	S	.	.	H	α-helix	trans	-63	-41.6	177.1	-174.6	178.5	-177	0	0	111.7	R222 Y224 P267 L269 K274 A275	R222-E271 WeakPolarHBondContact CD-OE2 3.5Å; Y224-E271 PolarHBondContact OH-OE1 2.79Å; Y224-E271 PolarHBondContact OH-OE2 3.17Å; P267-E271 PolarHBondContact O-N 3.08Å; L269-E271 PolarHBondContact O-N 3.21Å; E271-K274 PolarHBondContact O-N 2.86Å; E271-A275 WeakPolarHBondContact O-CB 3.45Å; E271-A275 PolarHBondContact O-N 2.7Å
272	C	93.9	Very high	93.2	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.014	32%	0.315	C	S	.	.	H	α-helix	trans	-64.5	-41.3	176.8	-167.9	0	0	0	0	111.8	A237 I238 S268 L269 E270 A275 Q276 I277	A237-C272 HydrophobicContact CB-CB 3.78Å; I238-C272 HydrophobicContact CG1-CB 4.31Å; S268-C272 PolarHBondContact O-N 3.09Å; L269-C272 WeakPolarHBondContact O-CB 3.32Å; L269-C272 PolarHBondContact O-N 3.35Å; E270-C272 VanDerWaalsContact C-N 3.35Å; C272-A275 PolarHBondContact O-N 3.47Å; C272-Q276 PolarHBondContact O-N 3.48Å; C272-I277 PolarHBondContact O-N 3.15Å; C272-I277 PolarHBondContact SG-O 2.89Å
273	Q	92.6	Very high	93.4	Very high	124 Å²	124	54.5 Å²	54.5	58%	0.579	30%	0.296	S	S	*	.	H	α-helix	trans	-67.5	-42.1	177.7	-165.1	178.7	9.9	0	0	111.5	L269 E270 A275 Q276 F278	L269-Q273 PolarHBondContact O-N 3.37Å; E270-Q273 PolarHBondContact O-N 3.45Å; Q273-A275 PolarHBondContact O-N 2.81Å; Q273-Q276 PolarHBondContact O-N 2.77Å; Q273-Q276 PolarHBondContact O-NE2 3.43Å; Q273-F278 HydrophobicContact CG-CE1 4.26Å
274	K	93.7	Very high	93.4	Very high	149 Å²	149	51.5 Å²	51.5	65%	0.648	27%	0.27	S	S	*	.	H	α-helix	trans	-60.6	-33.9	173.2	-75.5	166.4	-179.2	156.5	0	112	E270 E271 Q276	E270-K274 WeakPolarHBondContact O-CB 3.35Å; E270-K274 VanDerWaalsContact O-CG 3.25Å; E270-K274 WeakPolarHBondContact O-CG 3.29Å; E270-K274 PolarHBondContact O-N 2.8Å; E270-K274 IonicContact OE2-NZ 2.92Å; E270-K274 PolarHBondContact OE2-NZ 2.87Å; E271-K274 PolarHBondContact O-N 2.86Å; K274-Q276 PolarHBondContact O-N 2.94Å
275	A	90.7	Very high	93.4	Very high	47 Å²	47	55.7 Å²	55.7	39%	0.388	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-3.2	175.9	0	0	0	0	0	114.5	E271 C272 Q273 I277	E271-A275 WeakPolarHBondContact O-CB 3.45Å; E271-A275 PolarHBondContact O-N 2.7Å; C272-A275 PolarHBondContact O-N 3.47Å; Q273-A275 PolarHBondContact O-N 2.81Å; A275-I277 HydrophobicContact CB-CD1 4.04Å; A275-I277 HydrophobicContact CB-CG1 4.31Å; A275-I277 PolarHBondContact O-N 3.41Å
276	Q	93.1	Very high	93.3	Very high	124 Å²	124	58.3 Å²	58.3	58%	0.579	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	40.9	-179.7	-59.9	-67.9	-49.1	0	0	113.7	C272 Q273 K274 F278	C272-Q276 PolarHBondContact O-N 3.48Å; Q273-Q276 PolarHBondContact O-N 2.77Å; Q273-Q276 PolarHBondContact O-NE2 3.43Å; K274-Q276 PolarHBondContact O-N 2.94Å; Q276-F278 HydrophobicContact CB-CE2 4.35Å
277	I	93.9	Very high	93.2	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.041	28%	0.276	C	S	.	.			trans	-110.3	107.6	178.5	-61.5	167.1	0	0	0	109.4	I238 K241 C272 A275 Q282 A283 F286	I238-I277 HydrophobicContact CD1-CD1 3.56Å; I238-I277 HydrophobicContact CG1-CD1 3.86Å; I238-I277 HydrophobicContact CG2-CD1 4.06Å; I238-I277 HydrophobicContact CG2-CG2 4.4Å; K241-I277 HydrophobicContact CD-CG2 4.45Å; K241-I277 WeakPolarHBondContact CD-O 3.22Å; K241-I277 WeakPolarHBondContact CE-O 3.24Å; C272-I277 PolarHBondContact O-N 3.15Å; C272-I277 PolarHBondContact SG-O 2.89Å; A275-I277 HydrophobicContact CB-CD1 4.04Å; A275-I277 HydrophobicContact CB-CG1 4.31Å; A275-I277 PolarHBondContact O-N 3.41Å; I277-Q282 HydrophobicContact CG2-CB 4.27Å; I277-A283 HydrophobicContact CG2-CB 3.77Å; I277-F286 HydrophobicContact CD1-CB 3.9Å; I277-F286 HydrophobicContact CD1-CD1 4.24Å; I277-F286 HydrophobicContact CD1-CD2 3.69Å; I277-F286 HydrophobicContact CD1-CE2 4.21Å; I277-F286 HydrophobicContact CD1-CG 3.69Å
278	F	91.9	Very high	92.9	Very high	89 Å²	89	54.7 Å²	54.7	39%	0.39	26%	0.264	S	S	.	.			trans	-115.8	-33.5	-177.3	-56.5	-70.7	0	0	0	113.1	Q273 Q276	Q273-F278 HydrophobicContact CG-CE1 4.26Å; Q276-F278 HydrophobicContact CB-CE2 4.35Å
279	T	94	Very high	92.6	Very high	50 Å²	50	59.2 Å²	59.2	31%	0.307	29%	0.288	S	S	.	.	S	Bend	trans	-108.2	158.2	-175.8	59.6	0	0	0	0	112.6	E246 T281 Q282 A283	E246-T279 WeakPolarHBondContact OE1-CA 3.5Å; T279-T281 VanDerWaalsContact C-N 3.28Å; T279-T281 PolarHBondContact O-N 3.44Å; T279-T281 PolarHBondContact OG1-OG1 3.35Å; T279-Q282 PolarHBondContact O-N 3.1Å; T279-Q282 VanDerWaalsContact OG1-CD 3.29Å; T279-Q282 VanDerWaalsContact OG1-CG 3.31Å; T279-Q282 WeakPolarHBondContact OG1-CG 3.46Å; T279-Q282 PolarHBondContact OG1-OE1 2.7Å; T279-A283 PolarHBondContact O-N 3.48Å
280	Q	93.6	Very high	92.4	Very high	48 Å²	48	59.2 Å²	59.2	22%	0.224	29%	0.287	C	S	.	.	H	α-helix	trans	-58	-39.6	176.6	-174.6	-178	39.9	0	0	112.1	K241 G242 E246 Q282 A283 L284	K241-Q280 WeakPolarHBondContact O-CA 3.44Å; K241-Q280 WeakPolarHBondContact O-CB 3.36Å; K241-Q280 WeakPolarHBondContact O-CG 3.31Å; G242-Q280 WeakPolarHBondContact O-CG 3.44Å; G242-Q280 PolarHBondContact O-NE2 3.19Å; E246-Q280 WeakPolarHBondContact OE1-CB 3.3Å; E246-Q280 PolarHBondContact OE1-N 3.46Å; Q280-Q282 PolarHBondContact O-N 3.46Å; Q280-A283 PolarHBondContact O-N 3.06Å; Q280-L284 HydrophobicContact CG-CD1 3.95Å; Q280-L284 HydrophobicContact CG-CG 4.23Å; Q280-L284 WeakPolarHBondContact O-CB 3.24Å; Q280-L284 VanDerWaalsContact O-CG 3.32Å; Q280-L284 WeakPolarHBondContact O-CG 3.47Å; Q280-L284 PolarHBondContact O-N 3.29Å
281	T	92.4	Very high	92.1	Very high	70 Å²	70	55.9 Å²	55.9	43%	0.429	27%	0.273	S	S	.	.	H	α-helix	trans	-64.9	-40.1	-179	58.6	0	0	0	0	112.2	T279 R285 M305	T279-T281 VanDerWaalsContact C-N 3.28Å; T279-T281 PolarHBondContact O-N 3.44Å; T279-T281 PolarHBondContact OG1-OG1 3.35Å; T281-R285 WeakPolarHBondContact O-CB 3.1Å; T281-R285 PolarHBondContact O-N 2.68Å; T281-M305 HydrophobicContact CG2-SD 4.46Å
282	Q	93.1	Very high	91.5	Very high	68 Å²	68	61.2 Å²	61.2	32%	0.318	29%	0.291	S	S	.	.	H	α-helix	trans	-65.4	-45.1	174	-70.3	167.8	-15.7	0	0	110.9	I277 T279 Q280 R285 F286	I277-Q282 HydrophobicContact CG2-CB 4.27Å; T279-Q282 PolarHBondContact O-N 3.1Å; T279-Q282 VanDerWaalsContact OG1-CD 3.29Å; T279-Q282 VanDerWaalsContact OG1-CG 3.31Å; T279-Q282 WeakPolarHBondContact OG1-CG 3.46Å; T279-Q282 PolarHBondContact OG1-OE1 2.7Å; Q280-Q282 PolarHBondContact O-N 3.46Å; Q282-R285 PolarHBondContact O-N 3.22Å; Q282-F286 PolarHBondContact O-N 2.65Å
283	A	93.6	Very high	90	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.2	-45.6	178.1	0	0	0	0	0	112.3	I238 K241 I277 T279 Q280 R285 F286 L287	I238-A283 HydrophobicContact CG2-CB 4.05Å; K241-A283 HydrophobicContact CB-CB 4.02Å; I277-A283 HydrophobicContact CG2-CB 3.77Å; T279-A283 PolarHBondContact O-N 3.48Å; Q280-A283 PolarHBondContact O-N 3.06Å; A283-R285 VanDerWaalsContact C-N 3.34Å; A283-R285 PolarHBondContact O-N 2.72Å; A283-F286 WeakPolarHBondContact O-CB 3.42Å; A283-F286 PolarHBondContact O-N 2.85Å; A283-L287 WeakPolarHBondContact O-CG 3.32Å; A283-L287 PolarHBondContact O-N 3.03Å
284	L	93.3	Very high	88.3	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-37.4	176.2	-71	174.4	0	0	0	112.1	Q280 G288 M305 A308 R309 L312	Q280-L284 HydrophobicContact CG-CD1 3.95Å; Q280-L284 HydrophobicContact CG-CG 4.23Å; Q280-L284 WeakPolarHBondContact O-CB 3.24Å; Q280-L284 VanDerWaalsContact O-CG 3.32Å; Q280-L284 WeakPolarHBondContact O-CG 3.47Å; Q280-L284 PolarHBondContact O-N 3.29Å; L284-G288 PolarHBondContact O-N 2.93Å; L284-M305 HydrophobicContact CB-CG 3.6Å; L284-M305 HydrophobicContact CD1-CG 4.17Å; L284-A308 HydrophobicContact CB-CB 4.43Å; L284-A308 HydrophobicContact CD2-CB 4.06Å; L284-A308 VanDerWaalsContact O-CB 3.26Å; L284-A308 WeakPolarHBondContact O-CB 3.47Å; L284-R309 HydrophobicContact CD2-CB 4.32Å; L284-L312 HydrophobicContact CD2-CD1 3.86Å
285	R	92.4	Very high	86.2	Confident	135 Å²	135	76.9 Å²	76.9	51%	0.509	35%	0.348	S	S	.	.	H	α-helix	trans	-65.8	-41.9	174.8	-171.3	-176.5	-66.8	135.5	-1.2	111.5	T281 Q282 A283 G288 N289	T281-R285 WeakPolarHBondContact O-CB 3.1Å; T281-R285 PolarHBondContact O-N 2.68Å; Q282-R285 PolarHBondContact O-N 3.22Å; A283-R285 VanDerWaalsContact C-N 3.34Å; A283-R285 PolarHBondContact O-N 2.72Å; R285-G288 PolarHBondContact O-N 3.45Å; R285-N289 PolarHBondContact O-N 3.4Å; R285-N289 VanDerWaalsContact O-N 3.09Å; R285-N289 PolarHBondContact O-ND2 3.22Å
286	F	91.8	Very high	84	Confident	57 Å²	57	81.9 Å²	81.9	25%	0.25	37%	0.365	C	S	.	.	H	α-helix	trans	-60.2	-50.4	175.4	179.1	-91.5	0	0	0	111.1	I238 I277 Q282 A283 G288 N289 K290	I238-F286 HydrophobicContact CD1-CD1 4.09Å; I238-F286 HydrophobicContact CD1-CE1 3.67Å; I238-F286 HydrophobicContact CD1-CZ 3.94Å; I238-F286 HydrophobicContact CG2-CD1 3.82Å; I238-F286 HydrophobicContact CG2-CE1 4.35Å; I238-F286 HydrophobicContact CG2-CG 4.47Å; I277-F286 HydrophobicContact CD1-CB 3.9Å; I277-F286 HydrophobicContact CD1-CD1 4.24Å; I277-F286 HydrophobicContact CD1-CD2 3.69Å; I277-F286 HydrophobicContact CD1-CE2 4.21Å; I277-F286 HydrophobicContact CD1-CG 3.69Å; Q282-F286 PolarHBondContact O-N 2.65Å; A283-F286 WeakPolarHBondContact O-CB 3.42Å; A283-F286 PolarHBondContact O-N 2.85Å; F286-G288 PolarHBondContact O-N 3.4Å; F286-N289 PolarHBondContact O-N 3.09Å; F286-K290 HydrophobicContact CE1-CD 3.96Å; F286-K290 HydrophobicContact CZ-CD 4.27Å; F286-K290 PolarHBondContact O-N 3.29Å
287	L	90.9	Very high	81.5	Confident	4 Å²	4	89 Å²	89	2%	0.021	39%	0.387	C	S	.	.	H	α-helix	trans	-62	-43	176.9	-69.6	173.9	0	0	0	111.5	A234 I239 A283 N289 K290 V291 A308 L312	A234-L287 HydrophobicContact CB-CD2 3.87Å; I239-L287 HydrophobicContact CG1-CD2 4.34Å; A283-L287 WeakPolarHBondContact O-CG 3.32Å; A283-L287 PolarHBondContact O-N 3.03Å; L287-N289 VanDerWaalsContact C-N 3.25Å; L287-N289 PolarHBondContact O-N 3.31Å; L287-K290 CarbonylContact O-C 3.47Å; L287-K290 WeakPolarHBondContact O-CA 3.4Å; L287-K290 PolarHBondContact O-N 3.46Å; L287-V291 VanDerWaalsContact O-CG2 3.3Å; L287-V291 WeakPolarHBondContact O-CG2 3.47Å; L287-V291 PolarHBondContact O-N 3.33Å; L287-A308 HydrophobicContact CB-CB 3.96Å; L287-L312 HydrophobicContact CD1-CD1 4.08Å
288	G	90.1	Very high	79.5	Confident	3 Å²	3	92.5 Å²	92.5	3%	0.031	43%	0.425	C	S	.	.	H	α-helix	trans	-58.6	-33.4	178	0	0	0	0	0	113.7	L284 R285 F286 K290 K304	L284-G288 PolarHBondContact O-N 2.93Å; R285-G288 PolarHBondContact O-N 3.45Å; F286-G288 PolarHBondContact O-N 3.4Å; G288-K290 VanDerWaalsContact C-N 3.31Å; G288-K304 VanDerWaalsContact CA-O 3.31Å; G288-K304 WeakPolarHBondContact CA-O 3.3Å
289	N	89.1	Confident	77.9	Confident	94 Å²	94	90.1 Å²	90.1	50%	0.503	43%	0.425	S	S	.	.	H	α-helix	trans	-71.1	-25.9	172.7	-72.9	-28.2	0	0	0	113.1	R285 F286 L287 K304	R285-N289 PolarHBondContact O-N 3.4Å; R285-N289 VanDerWaalsContact O-N 3.09Å; R285-N289 PolarHBondContact O-ND2 3.22Å; F286-N289 PolarHBondContact O-N 3.09Å; L287-N289 VanDerWaalsContact C-N 3.25Å; L287-N289 PolarHBondContact O-N 3.31Å; N289-K304 WeakPolarHBondContact OD1-CD 3.38Å; N289-K304 WeakPolarHBondContact OD1-CE 3.37Å; N289-K304 PolarHBondContact OD1-NZ 3.42Å
290	K	88.8	Confident	76.4	Confident	35 Å²	35	93.2 Å²	93.2	15%	0.152	45%	0.446	C	S	.	.	H	α-helix	trans	-92.2	-7.3	177.7	-64.3	-164.3	175.6	-147.7	0	113.7	L230 S231 E232 F286 L287 G288 R292	L230-K290 CarbonylContact C-O 3.33Å; L230-K290 WeakPolarHBondContact CA-O 3.48Å; S231-K290 PolarHBondContact N-O 2.81Å; S231-K290 PolarHBondContact OG-O 3.21Å; S231-K290 VanDerWaalsContact OG-O 3.06Å; E232-K290 HydrophobicContact CB-CD 4.36Å; E232-K290 WeakPolarHBondContact OE2-CE 3.46Å; E232-K290 IonicContact OE2-NZ 2.68Å; E232-K290 PolarHBondContact OE2-NZ 3.48Å; F286-K290 HydrophobicContact CE1-CD 3.96Å; F286-K290 HydrophobicContact CZ-CD 4.27Å; F286-K290 PolarHBondContact O-N 3.29Å; L287-K290 CarbonylContact O-C 3.47Å; L287-K290 WeakPolarHBondContact O-CA 3.4Å; L287-K290 PolarHBondContact O-N 3.46Å; G288-K290 VanDerWaalsContact C-N 3.31Å; K290-R292 PolarHBondContact O-N 2.89Å
291	V	87.4	Confident	75	Confident	26 Å²	26	101.1 Å²	101.1	16%	0.158	48%	0.48	C	S	.	.	B	Isolated β-bridge	trans	-72.1	126	175	-177	0	0	0	0	109.6	L230 L287 R293 L311	L230-V291 HydrophobicContact CD2-CG2 4.41Å; L287-V291 VanDerWaalsContact O-CG2 3.3Å; L287-V291 WeakPolarHBondContact O-CG2 3.47Å; L287-V291 PolarHBondContact O-N 3.33Å; V291-R293 PolarHBondContact O-N 3.23Å; V291-L311 HydrophobicContact CG2-CD2 3.87Å
292	R	80.5	Confident	74.1	Confident	151 Å²	151	102.1 Å²	102.1	57%	0.57	48%	0.479	S	S	*	.			trans	-68.4	117.8	171.3	-64.1	179.8	-173.5	-149.4	-11.4	108.5	T229 L230 S231 K290 Q294	T229-R292 WeakPolarHBondContact O-CB 3.41Å; T229-R292 WeakPolarHBondContact O-CG 3.49Å; T229-R292 PolarHBondContact O-N 3.39Å; L230-R292 PolarHBondContact O-NE 3.04Å; S231-R292 PolarHBondContact O-NH2 2.91Å; K290-R292 PolarHBondContact O-N 2.89Å; R292-Q294 PolarHBondContact O-N 3.49Å
293	R	63.7	Low	73.7	Confident	191 Å²	191	102.7 Å²	102.7	72%	0.721	49%	0.486	S	S	*	.			trans	-58.1	112.9	175.9	-75.5	-177.3	177.9	166.3	-1	110.4	V291 R295	V291-R293 PolarHBondContact O-N 3.23Å; R293-R295 PolarHBondContact O-N 3.4Å
294	Q	57.2	Low	73.2	Confident	164 Å²	164	107.1 Å²	107.1	77%	0.766	51%	0.506	S	S	*	.			trans	-76.6	111	160.1	-77.5	-157.7	-32.4	0	0	107.9	R292 M296	R292-Q294 PolarHBondContact O-N 3.49Å; Q294-M296 VanDerWaalsContact C-N 3.27Å; Q294-M296 PolarHBondContact O-N 3.47Å
295	R	48	Very low	72.8	Confident	250 Å²	250	109.7 Å²	109.7	94%	0.943	52%	0.519	S	S	*	.			trans	-67.5	88.5	168.6	-74.8	-177.2	175.9	-179.8	-1.2	108.5	R293	R293-R295 PolarHBondContact O-N 3.4Å
296	M	45.8	Very low	72.5	Confident	151 Å²	151	107.8 Å²	107.8	74%	0.744	52%	0.515	S	S	*	.			trans	-83.2	109	156.9	-79.3	-150.7	-74.8	0	0	107.8	Q294 G298	Q294-M296 VanDerWaalsContact C-N 3.27Å; Q294-M296 PolarHBondContact O-N 3.47Å; M296-G298 PolarHBondContact O-N 3.07Å
297	W	40.1	Very low	72.3	Confident	273 Å²	273	107.6 Å²	107.6	100%	1.034	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	117.7	171.7	-125.9	-44.7	0	0	0	108.1
298	G	52.5	Low	72.2	Confident	82 Å²	82	107.4 Å²	107.4	85%	0.845	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.4	1.9	175.4	0	0	0	0	0	116.9	M296	M296-G298 PolarHBondContact O-N 3.07Å
299	G	58.2	Low	72.3	Confident	39 Å²	39	111.3 Å²	111.3	40%	0.402	53%	0.528	S	S	.	.			trans	-79.7	150.3	171.3	0	0	0	0	0	112.8	K301	G299-K301 PolarHBondContact O-N 2.84Å
300	P	61.8	Low	72.2	Confident	115 Å²	115	110.7 Å²	110.7	75%	0.747	52%	0.522	S	S	*	.			trans	-58.9	137.2	172	23.9	-31.7	0	0	0	110.2	K302	P300-K302 PolarHBondContact O-N 3.46Å
301	K	63.9	Low	72.2	Confident	215 Å²	215	109.3 Å²	109.3	94%	0.935	52%	0.517	S	S	*	.			trans	-66	100.6	176.4	-77.3	-178.5	179.1	173.8	0	109	G299	G299-K301 PolarHBondContact O-N 2.84Å
302	K	73.8	Confident	72.4	Confident	91 Å²	91	108.1 Å²	108.1	40%	0.396	51%	0.509	S	S	.	.			trans	-75.1	151.1	172.4	-63.7	-169.6	-175.7	-174.3	0	110.6	P300 E306 E307 E310	P300-K302 PolarHBondContact O-N 3.46Å; K302-E306 HydrophobicContact CB-CB 4.47Å; K302-E307 HydrophobicContact CB-CG 4.05Å; K302-E310 IonicContact NZ-OE1 3.79Å; K302-E310 PolarHBondContact NZ-OE1 2.73Å; K302-E310 IonicContact NZ-OE2 2.73Å; K302-E310 PolarHBondContact NZ-OE2 3.22Å
303	T	84.8	Confident	72.8	Confident	79 Å²	79	102 Å²	102	49%	0.485	49%	0.491	S	S	.	.			trans	-72.4	151.4	172.7	61.7	0	0	0	0	110.2	M305 E306 E307	T303-M305 PolarHBondContact O-N 3.18Å; T303-E306 PolarHBondContact N-OE2 2.95Å; T303-E306 PolarHBondContact O-N 2.97Å; T303-E306 VanDerWaalsContact OG1-CG 3.3Å; T303-E306 WeakPolarHBondContact OG1-CG 3.36Å; T303-E306 PolarHBondContact OG1-N 3.47Å; T303-E306 PolarHBondContact OG1-OE2 3.03Å; T303-E307 PolarHBondContact O-N 3.32Å
304	K	82.9	Confident	73.8	Confident	93 Å²	93	94.5 Å²	94.5	40%	0.404	47%	0.468	S	S	.	.	H	α-helix	trans	-55.2	-29.8	178.2	-70.3	-175.1	174.4	178	0	113.2	G288 N289 A308	G288-K304 VanDerWaalsContact CA-O 3.31Å; G288-K304 WeakPolarHBondContact CA-O 3.3Å; N289-K304 WeakPolarHBondContact OD1-CD 3.38Å; N289-K304 WeakPolarHBondContact OD1-CE 3.37Å; N289-K304 PolarHBondContact OD1-NZ 3.42Å; K304-A308 PolarHBondContact O-N 3.15Å
305	M	85.7	Confident	75.2	Confident	56 Å²	56	89.2 Å²	89.2	28%	0.276	45%	0.445	S	S	.	.	H	α-helix	trans	-72.6	-42.3	179.8	-152.9	-171.5	-48.5	0	0	111.4	T281 L284 T303 A308 R309	T281-M305 HydrophobicContact CG2-SD 4.46Å; L284-M305 HydrophobicContact CB-CG 3.6Å; L284-M305 HydrophobicContact CD1-CG 4.17Å; T303-M305 PolarHBondContact O-N 3.18Å; M305-A308 PolarHBondContact O-N 3.41Å; M305-R309 PolarHBondContact O-N 3.08Å
306	E	86.8	Confident	77.2	Confident	94 Å²	94	77.4 Å²	77.4	44%	0.439	40%	0.4	S	S	.	.	H	α-helix	trans	-66.1	-39.9	173.9	-72.3	169.5	145.4	0	0	111.7	K302 T303 A308 R309 E310	K302-E306 HydrophobicContact CB-CB 4.47Å; T303-E306 PolarHBondContact N-OE2 2.95Å; T303-E306 PolarHBondContact O-N 2.97Å; T303-E306 VanDerWaalsContact OG1-CG 3.3Å; T303-E306 WeakPolarHBondContact OG1-CG 3.36Å; T303-E306 PolarHBondContact OG1-N 3.47Å; T303-E306 PolarHBondContact OG1-OE2 3.03Å; E306-A308 VanDerWaalsContact C-N 3.3Å; E306-A308 PolarHBondContact O-N 3.45Å; E306-R309 PolarHBondContact O-N 3.14Å; E306-E310 VanDerWaalsContact O-CB 3.31Å; E306-E310 WeakPolarHBondContact O-CB 3.47Å; E306-E310 PolarHBondContact O-N 2.95Å
307	E	86.6	Confident	79.3	Confident	54 Å²	54	70.2 Å²	70.2	25%	0.252	37%	0.365	S	S	.	.	H	α-helix	trans	-58.2	-43.5	175.2	-70.7	-178.3	164.9	0	0	111.4	K302 T303 L311	K302-E307 HydrophobicContact CB-CG 4.05Å; T303-E307 PolarHBondContact O-N 3.32Å; E307-L311 VanDerWaalsContact O-CB 3.29Å; E307-L311 WeakPolarHBondContact O-CB 3.4Å; E307-L311 PolarHBondContact O-N 3.45Å
308	A	89.6	Confident	81.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66.9	-42.1	176.1	0	0	0	0	0	112.5	L284 L287 K304 M305 E306 L311 L312	L284-A308 HydrophobicContact CB-CB 4.43Å; L284-A308 HydrophobicContact CD2-CB 4.06Å; L284-A308 VanDerWaalsContact O-CB 3.26Å; L284-A308 WeakPolarHBondContact O-CB 3.47Å; L287-A308 HydrophobicContact CB-CB 3.96Å; K304-A308 PolarHBondContact O-N 3.15Å; M305-A308 PolarHBondContact O-N 3.41Å; E306-A308 VanDerWaalsContact C-N 3.3Å; E306-A308 PolarHBondContact O-N 3.45Å; A308-L311 WeakPolarHBondContact O-CB 3.33Å; A308-L311 PolarHBondContact O-N 3.23Å; A308-L312 WeakPolarHBondContact O-CG 3.33Å; A308-L312 PolarHBondContact O-N 3.34Å
309	R	90.6	Very high	83.5	Confident	84 Å²	84	54.9 Å²	54.9	32%	0.317	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-43.6	177.7	-173.4	179.6	-68.6	156.8	-3.2	111.4	L284 M305 E306 L311 L312 A313 F325 F327	L284-R309 HydrophobicContact CD2-CB 4.32Å; M305-R309 PolarHBondContact O-N 3.08Å; E306-R309 PolarHBondContact O-N 3.14Å; R309-L311 VanDerWaalsContact C-N 3.34Å; R309-L312 PolarHBondContact O-N 3.26Å; R309-A313 WeakPolarHBondContact O-CB 3.43Å; R309-A313 PolarHBondContact O-N 3.29Å; R309-F325 HydrophobicContact CG-CD1 4.14Å; R309-F325 HydrophobicContact CG-CE1 4.23Å; R309-F327 HydrophobicContact CG-CZ 4.37Å
310	E	87.6	Confident	85	Confident	82 Å²	82	53.4 Å²	53.4	38%	0.383	27%	0.267	S	S	.	.	H	α-helix	trans	-67.5	-34.6	176.6	-172.7	175.9	-161.6	0	0	112.1	K302 E306 A313 S314	K302-E310 IonicContact NZ-OE1 3.79Å; K302-E310 PolarHBondContact NZ-OE1 2.73Å; K302-E310 IonicContact NZ-OE2 2.73Å; K302-E310 PolarHBondContact NZ-OE2 3.22Å; E306-E310 VanDerWaalsContact O-CB 3.31Å; E306-E310 WeakPolarHBondContact O-CB 3.47Å; E306-E310 PolarHBondContact O-N 2.95Å; E310-A313 PolarHBondContact O-N 3.29Å; E310-S314 WeakPolarHBondContact O-CB 3.46Å; E310-S314 PolarHBondContact O-N 3.32Å; E310-S314 PolarHBondContact O-OG 3.06Å
311	L	88.8	Confident	86.3	Confident	6 Å²	6	52 Å²	52	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-49.6	172.8	177.1	76.2	0	0	0	111.2	T229 L230 V291 E307 A308 R309 A313 L315 I316	T229-L311 HydrophobicContact CG2-CD1 4.48Å; T229-L311 WeakPolarHBondContact OG1-CD1 3.21Å; L230-L311 HydrophobicContact CD2-CD2 3.67Å; L230-L311 HydrophobicContact CG-CD2 4.41Å; V291-L311 HydrophobicContact CG2-CD2 3.87Å; E307-L311 VanDerWaalsContact O-CB 3.29Å; E307-L311 WeakPolarHBondContact O-CB 3.4Å; E307-L311 PolarHBondContact O-N 3.45Å; A308-L311 WeakPolarHBondContact O-CB 3.33Å; A308-L311 PolarHBondContact O-N 3.23Å; R309-L311 VanDerWaalsContact C-N 3.34Å; L311-A313 VanDerWaalsContact C-N 3.33Å; L311-L315 HydrophobicContact CD1-CB 3.72Å; L311-L315 HydrophobicContact CD1-CD1 3.63Å; L311-L315 HydrophobicContact CD1-CG 4.32Å; L311-L315 WeakPolarHBondContact O-CB 3.5Å; L311-L315 PolarHBondContact O-N 3.09Å; L311-I316 HydrophobicContact CD2-CD1 3.99Å; L311-I316 HydrophobicContact CG-CD1 4Å; L311-I316 HydrophobicContact CG-CG1 4.27Å; L311-I316 PolarHBondContact O-N 3.3Å
312	L	91.1	Very high	87.6	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-37.3	178.6	-68.6	172.5	0	0	0	111.7	I239 M243 L284 L287 A308 R309 I316 F327 K330	I239-L312 HydrophobicContact CG2-CD2 4.05Å; M243-L312 HydrophobicContact CE-CD2 3.79Å; M243-L312 HydrophobicContact CG-CD1 4.27Å; M243-L312 HydrophobicContact CG-CD2 4.44Å; L284-L312 HydrophobicContact CD2-CD1 3.86Å; L287-L312 HydrophobicContact CD1-CD1 4.08Å; A308-L312 WeakPolarHBondContact O-CG 3.33Å; A308-L312 PolarHBondContact O-N 3.34Å; R309-L312 PolarHBondContact O-N 3.26Å; L312-I316 HydrophobicContact CD2-CD1 3.99Å; L312-F327 HydrophobicContact CB-CE1 3.95Å; L312-F327 HydrophobicContact CB-CZ 4.42Å; L312-K330 PolarHBondContact O-NZ 2.78Å
313	A	89.6	Confident	88.3	Confident	22 Å²	22	47.5 Å²	47.5	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-71	-47.8	178.7	0	0	0	0	0	112.1	R309 E310 L311 F325 F327 K330	R309-A313 WeakPolarHBondContact O-CB 3.43Å; R309-A313 PolarHBondContact O-N 3.29Å; E310-A313 PolarHBondContact O-N 3.29Å; L311-A313 VanDerWaalsContact C-N 3.33Å; A313-F325 HydrophobicContact CB-CD1 4.1Å; A313-F325 HydrophobicContact CB-CE1 3.98Å; A313-F327 HydrophobicContact CB-CE1 4.07Å; A313-F327 HydrophobicContact CB-CZ 4.3Å; A313-K330 PolarHBondContact O-NZ 3.06Å
314	S	85.6	Confident	88.5	Confident	33 Å²	33	53 Å²	53	23%	0.231	26%	0.261	C	S	.	.	H	α-helix	trans	-116.6	-6.9	-160	79.4	0	0	0	0	116.4	K210 E310 T318	K210-S314 WeakPolarHBondContact CD-O 3.3Å; K210-S314 PolarHBondContact NZ-O 3.11Å; K210-S314 PolarHBondContact NZ-OG 3.04Å; E310-S314 WeakPolarHBondContact O-CB 3.46Å; E310-S314 PolarHBondContact O-N 3.32Å; E310-S314 PolarHBondContact O-OG 3.06Å; S314-T318 WeakPolarHBondContact O-CG2 3.07Å
315	L	86	Confident	88.9	Confident	54 Å²	54	54.4 Å²	54.4	28%	0.283	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-46.5	-175	-77.1	168.3	0	0	0	113.2	K210 S212 T229 L311 T318	K210-L315 HydrophobicContact CD-CD2 4.07Å; S212-L315 WeakPolarHBondContact CB-O 3.47Å; S212-L315 PolarHBondContact OG-O 3.49Å; T229-L315 HydrophobicContact CG2-CD1 4.39Å; L311-L315 HydrophobicContact CD1-CB 3.72Å; L311-L315 HydrophobicContact CD1-CD1 3.63Å; L311-L315 HydrophobicContact CD1-CG 4.32Å; L311-L315 WeakPolarHBondContact O-CB 3.5Å; L311-L315 PolarHBondContact O-N 3.09Å; L315-T318 VanDerWaalsContact CA-CG2 3.44Å; L315-T318 WeakPolarHBondContact O-CG2 3.24Å
316	I	90.1	Very high	89.2	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	126.8	173.2	-66.8	171.3	0	0	0	108.1	T214 L225 L311 L312 T318 K330	T214-I316 HydrophobicContact CG2-CG2 4.3Å; L225-I316 HydrophobicContact CD1-CG2 4.11Å; L225-I316 HydrophobicContact CD2-CD1 4.06Å; L311-I316 HydrophobicContact CD2-CD1 3.99Å; L311-I316 HydrophobicContact CG-CD1 4Å; L311-I316 HydrophobicContact CG-CG1 4.27Å; L311-I316 PolarHBondContact O-N 3.3Å; L312-I316 HydrophobicContact CD2-CD1 3.99Å; I316-T318 PolarHBondContact O-N 3.01Å; I316-K330 PolarHBondContact O-NZ 3.48Å
317	L	90.3	Very high	89.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	58.7	-177.5	-59.6	173.9	0	0	0	111.8	V203 T214 H319 V320 K330 Y333 L334 M337	V203-L317 HydrophobicContact CG1-CD2 3.33Å; T214-L317 HydrophobicContact CG2-CD2 4.44Å; L317-H319 PolarHBondContact O-N 3.44Å; L317-V320 HydrophobicContact CB-CG2 4.35Å; L317-V320 PolarHBondContact O-N 3.12Å; L317-K330 HydrophobicContact CB-CD 4.15Å; L317-K330 HydrophobicContact CB-CG 4.21Å; L317-K330 HydrophobicContact CD1-CG 3.93Å; L317-K330 WeakPolarHBondContact O-CE 3.41Å; L317-K330 PolarHBondContact O-NZ 2.65Å; L317-Y333 HydrophobicContact CD1-CD1 3.8Å; L317-Y333 HydrophobicContact CD1-CE1 4.48Å; L317-Y333 HydrophobicContact CD2-CD1 4.01Å; L317-Y333 HydrophobicContact CD2-CE1 3.84Å; L317-Y333 HydrophobicContact CG-CD1 4.49Å; L317-L334 HydrophobicContact CD1-CD1 4.31Å; L317-M337 HydrophobicContact CD2-SD 4.17Å
318	T	88.5	Confident	89.7	Confident	20 Å²	20	51.5 Å²	51.5	12%	0.123	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.2	-173	51.8	0	0	0	0	114.5	S205 K210 S314 L315 I316 V320	S205-T318 VanDerWaalsContact CB-OG1 3.24Å; S205-T318 WeakPolarHBondContact CB-OG1 3.3Å; K210-T318 HydrophobicContact CB-CG2 4.37Å; S314-T318 WeakPolarHBondContact O-CG2 3.07Å; L315-T318 VanDerWaalsContact CA-CG2 3.44Å; L315-T318 WeakPolarHBondContact O-CG2 3.24Å; I316-T318 PolarHBondContact O-N 3.01Å; T318-V320 VanDerWaalsContact C-N 3.33Å
319	H	90.6	Very high	89.7	Confident	13 Å²	13	52.9 Å²	52.9	6%	0.06	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-22.9	-178.8	70.7	-73.8	0	0	0	112.7	N187 S205 T207 L317 P321 Y333 N543	N187-H319 HydrophobicContact CB-CB 4.41Å; N187-H319 WeakPolarHBondContact OD1-CB 3.33Å; S205-H319 VanDerWaalsContact CB-ND1 3.3Å; S205-H319 WeakPolarHBondContact CB-ND1 3.39Å; S205-H319 PolarHBondContact OG-CE1 3.15Å; S205-H319 PolarHBondContact OG-ND1 2.87Å; T207-H319 HydrophobicContact CG2-CB 4.34Å; L317-H319 PolarHBondContact O-N 3.44Å; H319-P321 WeakPolarHBondContact O-CD 3.42Å; H319-Y333 AromaticContact CE1-CE1 3.95Å; H319-Y333 AromaticContact CE1-CZ 3.81Å; H319-Y333 AromaticContact NE2-CE2 3.84Å; H319-Y333 AromaticContact NE2-CZ 3.56Å; H319-Y333 PolarHBondContact NE2-OH 3.47Å; H319-N543 PolarHBondContact CD2-OD1 2.74Å; H319-N543 PolarHBondContact O-OD1 3.47Å
320	V	91.6	Very high	89.8	Confident	8 Å²	8	48.9 Å²	48.9	5%	0.048	25%	0.251	C	S	.	.	S	Bend	trans	-82.1	113.4	176.4	-175	0	0	0	0	108.6	L317 T318 A329 K330 Y333	L317-V320 HydrophobicContact CB-CG2 4.35Å; L317-V320 PolarHBondContact O-N 3.12Å; T318-V320 VanDerWaalsContact C-N 3.33Å; V320-A329 HydrophobicContact CG1-CB 4.29Å; V320-K330 HydrophobicContact CG1-CB 4.14Å; V320-Y333 HydrophobicContact CG2-CD1 4.3Å; V320-Y333 HydrophobicContact CG2-CD2 4.13Å; V320-Y333 HydrophobicContact CG2-CG 3.97Å
321	P	88.8	Confident	90.1	Very high	85 Å²	85	45 Å²	45	55%	0.552	23%	0.233	S	C	*	.			trans	-68.9	142.3	-175.2	28.9	-34.5	0	0	0	111.2	H319	H319-P321 WeakPolarHBondContact O-CD 3.42Å
322	V	89.7	Confident	90.2	Very high	36 Å²	36	44.8 Å²	44.8	22%	0.218	23%	0.232	C	C	.	.			trans	-122.8	107.8	174.1	179.1	0	0	0	0	106.4	N326 F327 K330	V322-N326 WeakPolarHBondContact CG1-O 3.43Å; V322-F327 HydrophobicContact CG1-CD1 4.05Å; V322-F327 HydrophobicContact CG1-CE1 4.04Å; V322-F327 HydrophobicContact CG2-CD1 4.15Å; V322-F327 HydrophobicContact CG2-CE1 4.42Å; V322-K330 HydrophobicContact CG2-CD 4.4Å; V322-K330 VanDerWaalsContact CG2-CE 3.47Å
323	K	88.8	Confident	90.4	Very high	176 Å²	176	44.9 Å²	44.9	77%	0.765	23%	0.232	S	C	*	.	S	Bend	trans	-91.3	130.7	173.9	-66	-176.1	-179.1	178.6	0	108.3	F325 N326	K323-F325 PolarHBondContact O-N 3.18Å; K323-F325 VanDerWaalsContact O-N 3.09Å; K323-N326 WeakPolarHBondContact O-CB 3.37Å; K323-N326 PolarHBondContact O-N 2.81Å
324	E	89.7	Confident	90.6	Very high	193 Å²	193	43.8 Å²	43.8	90%	0.902	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	37.1	175	-60	177.2	179.5	0	0	114.1	N326	E324-N326 PolarHBondContact O-N 3.4Å; E324-N326 VanDerWaalsContact O-N 3.14Å
325	F	90.2	Very high	90.9	Very high	124 Å²	124	42.2 Å²	42.2	54%	0.544	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	21.7	-175.5	-59.9	-69.9	0	0	0	115.3	R309 A313 K323 F327	R309-F325 HydrophobicContact CG-CD1 4.14Å; R309-F325 HydrophobicContact CG-CE1 4.23Å; A313-F325 HydrophobicContact CB-CD1 4.1Å; A313-F325 HydrophobicContact CB-CE1 3.98Å; K323-F325 PolarHBondContact O-N 3.18Å; K323-F325 VanDerWaalsContact O-N 3.09Å; F325-F327 HydrophobicContact CB-CE2 4.11Å; F325-F327 HydrophobicContact CB-CZ 4.43Å; F325-F327 HydrophobicContact CD1-CZ 4.11Å; F325-F327 WeakPolarHBondContact O-CD2 3.47Å; F325-F327 WeakPolarHBondContact O-CE2 3.31Å; F325-F327 PolarHBondContact O-N 3.16Å
326	N	92.3	Very high	91.2	Very high	95 Å²	95	40.3 Å²	40.3	51%	0.508	20%	0.203	S	C	.	.			trans	-77.8	109.2	167.4	-177.8	-5.8	0	0	0	110.4	V322 K323 E324 R328	V322-N326 WeakPolarHBondContact CG1-O 3.43Å; K323-N326 WeakPolarHBondContact O-CB 3.37Å; K323-N326 PolarHBondContact O-N 2.81Å; E324-N326 PolarHBondContact O-N 3.4Å; E324-N326 VanDerWaalsContact O-N 3.14Å; N326-R328 WeakPolarHBondContact OD1-CB 3.37Å; N326-R328 PolarHBondContact OD1-N 2.9Å
327	F	92.9	Very high	91.4	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.035	20%	0.203	C	C	.	.			trans	-91.2	1.9	-176.3	-62.3	-81.3	0	0	0	114.7	M243 R309 L312 A313 V322 F325 A329 K330 C331	M243-F327 HydrophobicContact CB-CB 3.7Å; M243-F327 HydrophobicContact CB-CG 4.05Å; M243-F327 HydrophobicContact CG-CB 4.1Å; M243-F327 HydrophobicContact CG-CD1 4.24Å; M243-F327 HydrophobicContact CG-CG 4.18Å; M243-F327 WeakPolarHBondContact O-CB 3.39Å; M243-F327 VanDerWaalsContact O-CD2 3.31Å; M243-F327 WeakPolarHBondContact O-CD2 3.19Å; M243-F327 HydrophobicContact SD-CB 4.48Å; R309-F327 HydrophobicContact CG-CZ 4.37Å; L312-F327 HydrophobicContact CB-CE1 3.95Å; L312-F327 HydrophobicContact CB-CZ 4.42Å; A313-F327 HydrophobicContact CB-CE1 4.07Å; A313-F327 HydrophobicContact CB-CZ 4.3Å; V322-F327 HydrophobicContact CG1-CD1 4.05Å; V322-F327 HydrophobicContact CG1-CE1 4.04Å; V322-F327 HydrophobicContact CG2-CD1 4.15Å; V322-F327 HydrophobicContact CG2-CE1 4.42Å; F325-F327 HydrophobicContact CB-CE2 4.11Å; F325-F327 HydrophobicContact CB-CZ 4.43Å; F325-F327 HydrophobicContact CD1-CZ 4.11Å; F325-F327 WeakPolarHBondContact O-CD2 3.47Å; F325-F327 WeakPolarHBondContact O-CE2 3.31Å; F325-F327 PolarHBondContact O-N 3.16Å; F327-A329 PolarHBondContact O-N 2.78Å; F327-K330 CarbonylContact O-C 3.56Å; F327-K330 WeakPolarHBondContact O-CA 3.17Å; F327-K330 WeakPolarHBondContact O-CB 3.44Å; F327-K330 PolarHBondContact O-N 3.41Å; F327-C331 PolarHBondContact O-N 3.37Å; F327-C331 PolarHBondContact O-SG 3.09Å
328	R	90.6	Very high	91.6	Very high	39 Å²	39	40.3 Å²	40.3	15%	0.147	20%	0.203	C	C	.	.	H	α-helix	trans	-51.4	-52.3	-172.7	-178	57	171.8	-168.7	-14.4	113.4	E250 M254 N326 K330 C331 I332 N523 L525	E250-R328 IonicContact OE1-CZ 3.92Å; E250-R328 IonicContact OE1-NH1 3.79Å; E250-R328 PolarHBondContact OE1-NH1 3.43Å; E250-R328 IonicContact OE1-NH2 3.2Å; E250-R328 PolarHBondContact OE1-NH2 2.68Å; M254-R328 PolarHBondContact SD-NH1 3.23Å; M254-R328 VanDerWaalsContact SD-NH1 3.42Å; N326-R328 WeakPolarHBondContact OD1-CB 3.37Å; N326-R328 PolarHBondContact OD1-N 2.9Å; R328-K330 PolarHBondContact O-N 3.28Å; R328-C331 WeakPolarHBondContact O-CB 3.43Å; R328-C331 PolarHBondContact O-N 3.41Å; R328-C331 VanDerWaalsContact O-N 3.12Å; R328-I332 HydrophobicContact CG-CD1 4.3Å; R328-I332 WeakPolarHBondContact O-CG1 3.44Å; R328-I332 PolarHBondContact O-N 3.03Å; R328-N523 WeakPolarHBondContact CG-OD1 3.37Å; R328-L525 PolarHBondContact NH2-O 2.97Å
329	A	90.8	Very high	91.8	Very high	29 Å²	29	40.7 Å²	40.7	24%	0.24	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-35.5	178	0	0	0	0	0	112.9	V320 F327 Y333	V320-A329 HydrophobicContact CG1-CB 4.29Å; F327-A329 PolarHBondContact O-N 2.78Å; A329-Y333 PolarHBondContact O-N 3.21Å; A329-Y333 VanDerWaalsContact O-N 3.07Å
330	K	93.2	Very high	91.8	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-74	-36.8	177.8	-166.1	171.9	-69	-166.4	0	111.9	M243 L312 A313 I316 L317 V320 V322 F327 R328 Y333 L334	M243-K330 HydrophobicContact CE-CD 3.81Å; M243-K330 HydrophobicContact CE-CG 3.91Å; M243-K330 HydrophobicContact SD-CB 4.36Å; M243-K330 HydrophobicContact SD-CD 4.43Å; M243-K330 HydrophobicContact SD-CG 4.15Å; L312-K330 PolarHBondContact O-NZ 2.78Å; A313-K330 PolarHBondContact O-NZ 3.06Å; I316-K330 PolarHBondContact O-NZ 3.48Å; L317-K330 HydrophobicContact CB-CD 4.15Å; L317-K330 HydrophobicContact CB-CG 4.21Å; L317-K330 HydrophobicContact CD1-CG 3.93Å; L317-K330 WeakPolarHBondContact O-CE 3.41Å; L317-K330 PolarHBondContact O-NZ 2.65Å; V320-K330 HydrophobicContact CG1-CB 4.14Å; V322-K330 HydrophobicContact CG2-CD 4.4Å; V322-K330 VanDerWaalsContact CG2-CE 3.47Å; F327-K330 CarbonylContact O-C 3.56Å; F327-K330 WeakPolarHBondContact O-CA 3.17Å; F327-K330 WeakPolarHBondContact O-CB 3.44Å; F327-K330 PolarHBondContact O-N 3.41Å; R328-K330 PolarHBondContact O-N 3.28Å; K330-Y333 PolarHBondContact O-N 3.45Å; K330-L334 WeakPolarHBondContact O-CB 3.19Å; K330-L334 PolarHBondContact O-N 3.28Å
331	C	93.1	Very high	91.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.5	-47.8	171.6	-66.8	0	0	0	0	110.9	F240 M243 V245 M254 F327 R328 Y333 L334 A335	F240-C331 HydrophobicContact CD1-CB 4.26Å; F240-C331 HydrophobicContact CE1-CB 4.25Å; F240-C331 WeakPolarHBondContact CE1-O 3.35Å; M243-C331 WeakPolarHBondContact CB-SG 3.11Å; V245-C331 HydrophobicContact CG2-CB 4.19Å; M254-C331 HydrophobicContact SD-CB 4.46Å; F327-C331 PolarHBondContact O-N 3.37Å; F327-C331 PolarHBondContact O-SG 3.09Å; R328-C331 WeakPolarHBondContact O-CB 3.43Å; R328-C331 PolarHBondContact O-N 3.41Å; R328-C331 VanDerWaalsContact O-N 3.12Å; C331-Y333 PolarHBondContact O-N 3.34Å; C331-L334 WeakPolarHBondContact O-CB 3.4Å; C331-L334 PolarHBondContact O-N 3.33Å; C331-A335 WeakPolarHBondContact O-CB 3.43Å; C331-A335 PolarHBondContact O-N 3.28Å
332	I	91.9	Very high	92	Very high	2 Å²	2	37 Å²	37	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-44.1	-179.6	-62.1	177.7	0	0	0	110.6	M254 R328 L334 A335 V336 V522 L530 I544	M254-I332 HydrophobicContact SD-CG1 4.26Å; R328-I332 HydrophobicContact CG-CD1 4.3Å; R328-I332 WeakPolarHBondContact O-CG1 3.44Å; R328-I332 PolarHBondContact O-N 3.03Å; I332-L334 VanDerWaalsContact C-N 3.27Å; I332-L334 PolarHBondContact O-N 3.46Å; I332-A335 PolarHBondContact O-N 2.93Å; I332-A335 VanDerWaalsContact O-N 3.15Å; I332-V336 HydrophobicContact CG2-CG2 4.46Å; I332-V336 WeakPolarHBondContact O-CG2 3.49Å; I332-V336 PolarHBondContact O-N 3.47Å; I332-V522 HydrophobicContact CD1-CB 4.18Å; I332-V522 HydrophobicContact CD1-CG1 3.9Å; I332-V522 HydrophobicContact CD1-CG2 3.36Å; I332-V522 HydrophobicContact CG2-CG2 4.22Å; I332-L530 HydrophobicContact CG2-CD1 3.86Å; I332-I544 HydrophobicContact CG2-CD1 3.89Å
333	Y	93.7	Very high	92	Very high	2 Å²	2	38 Å²	38	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-57.3	-42.4	175.2	-167.3	-87.7	0	0	0	112.2	I189 V203 L317 H319 V320 A329 K330 C331 V336 M337 F539 G542 I544	I189-Y333 HydrophobicContact CD1-CE1 4.22Å; I189-Y333 HydrophobicContact CD1-CE2 4.26Å; I189-Y333 HydrophobicContact CG1-CE1 4.1Å; I189-Y333 HydrophobicContact CG1-CE2 4.45Å; I189-Y333 VanDerWaalsContact CG1-OH 3.29Å; I189-Y333 WeakPolarHBondContact CG1-OH 3.09Å; V203-Y333 HydrophobicContact CG1-CE1 4.41Å; L317-Y333 HydrophobicContact CD1-CD1 3.8Å; L317-Y333 HydrophobicContact CD1-CE1 4.48Å; L317-Y333 HydrophobicContact CD2-CD1 4.01Å; L317-Y333 HydrophobicContact CD2-CE1 3.84Å; L317-Y333 HydrophobicContact CG-CD1 4.49Å; H319-Y333 AromaticContact CE1-CE1 3.95Å; H319-Y333 AromaticContact CE1-CZ 3.81Å; H319-Y333 AromaticContact NE2-CE2 3.84Å; H319-Y333 AromaticContact NE2-CZ 3.56Å; H319-Y333 PolarHBondContact NE2-OH 3.47Å; V320-Y333 HydrophobicContact CG2-CD1 4.3Å; V320-Y333 HydrophobicContact CG2-CD2 4.13Å; V320-Y333 HydrophobicContact CG2-CG 3.97Å; A329-Y333 PolarHBondContact O-N 3.21Å; A329-Y333 VanDerWaalsContact O-N 3.07Å; K330-Y333 PolarHBondContact O-N 3.45Å; C331-Y333 PolarHBondContact O-N 3.34Å; Y333-V336 PolarHBondContact O-N 2.87Å; Y333-M337 HydrophobicContact CD1-CG 4.26Å; Y333-M337 HydrophobicContact CD1-SD 4.03Å; Y333-M337 HydrophobicContact CE1-CG 4.07Å; Y333-M337 HydrophobicContact CE1-SD 3.71Å; Y333-M337 WeakPolarHBondContact O-CG 3.38Å; Y333-M337 PolarHBondContact O-N 2.74Å; Y333-F539 HydrophobicContact CD2-CE1 4.42Å; Y333-F539 HydrophobicContact CE2-CE1 4.13Å; Y333-G542 WeakPolarHBondContact CE2-O 2.94Å; Y333-I544 HydrophobicContact CD2-CD1 4.04Å; Y333-I544 HydrophobicContact CD2-CG1 4.19Å
334	L	93.8	Very high	91.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-67.6	-38.8	177.3	-168.5	65	0	0	0	112.2	M216 L225 I236 I239 F240 M243 L317 K330 C331 I332 M337 V338	M216-L334 HydrophobicContact CE-CD1 3.81Å; L225-L334 HydrophobicContact CD1-CD1 4.01Å; I236-L334 HydrophobicContact CD1-CD1 3.87Å; I236-L334 HydrophobicContact CD1-CD2 3.61Å; I236-L334 HydrophobicContact CD1-CG 3.82Å; I236-L334 HydrophobicContact CG1-CD2 4.37Å; I236-L334 HydrophobicContact CG1-CG 4.49Å; I239-L334 HydrophobicContact CG2-CD2 3.82Å; F240-L334 HydrophobicContact CE1-CB 4.36Å; F240-L334 HydrophobicContact CE1-CD2 4.32Å; F240-L334 HydrophobicContact CE2-CD2 4.37Å; F240-L334 HydrophobicContact CZ-CB 4.25Å; F240-L334 HydrophobicContact CZ-CD2 4.17Å; F240-L334 HydrophobicContact CZ-CG 4.15Å; M243-L334 HydrophobicContact CE-CD2 4.36Å; L317-L334 HydrophobicContact CD1-CD1 4.31Å; K330-L334 WeakPolarHBondContact O-CB 3.19Å; K330-L334 PolarHBondContact O-N 3.28Å; C331-L334 WeakPolarHBondContact O-CB 3.4Å; C331-L334 PolarHBondContact O-N 3.33Å; I332-L334 VanDerWaalsContact C-N 3.27Å; I332-L334 PolarHBondContact O-N 3.46Å; L334-M337 WeakPolarHBondContact O-CB 3.41Å; L334-M337 PolarHBondContact O-N 3.27Å; L334-V338 WeakPolarHBondContact O-CG2 3.38Å; L334-V338 PolarHBondContact O-N 3.28Å
335	A	93.1	Very high	91.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.6	-43.8	175.6	0	0	0	0	0	111.5	F240 M254 I255 C331 I332 M337 V338 R339	F240-A335 HydrophobicContact CE1-CB 4.23Å; F240-A335 HydrophobicContact CZ-CB 3.99Å; M254-A335 HydrophobicContact CB-CB 3.77Å; I255-A335 HydrophobicContact CG1-CB 4.18Å; C331-A335 WeakPolarHBondContact O-CB 3.43Å; C331-A335 PolarHBondContact O-N 3.28Å; I332-A335 PolarHBondContact O-N 2.93Å; I332-A335 VanDerWaalsContact O-N 3.15Å; A335-M337 VanDerWaalsContact C-N 3.31Å; A335-M337 PolarHBondContact O-N 3.49Å; A335-V338 PolarHBondContact O-N 2.91Å; A335-V338 VanDerWaalsContact O-N 3.17Å; A335-R339 WeakPolarHBondContact O-CB 3.47Å; A335-R339 PolarHBondContact O-N 3.01Å
336	V	92.3	Very high	91.1	Very high	14 Å²	14	20.9 Å²	20.9	9%	0.085	12%	0.121	C	C	.	.	H	α-helix	trans	-60.1	-41.2	173.4	173.9	0	0	0	0	111.2	I189 I332 Y333 V338 R339 R340 L537 F539 I544	I189-V336 HydrophobicContact CD1-CG1 4.16Å; I332-V336 HydrophobicContact CG2-CG2 4.46Å; I332-V336 WeakPolarHBondContact O-CG2 3.49Å; I332-V336 PolarHBondContact O-N 3.47Å; Y333-V336 PolarHBondContact O-N 2.87Å; V336-V338 PolarHBondContact O-N 3.46Å; V336-R339 PolarHBondContact O-N 3.12Å; V336-R340 WeakPolarHBondContact O-CG 3.47Å; V336-R340 PolarHBondContact O-N 2.62Å; V336-L537 HydrophobicContact CG1-CD1 4.48Å; V336-L537 HydrophobicContact CG2-CD1 3.65Å; V336-F539 HydrophobicContact CG1-CZ 4.36Å; V336-I544 HydrophobicContact CG2-CD1 4.34Å
337	M	93.6	Very high	90.3	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-60	-45.3	174.5	-74.7	-174.7	70.7	0	0	112.2	I189 A201 V203 L317 Y333 L334 A335 V341	I189-M337 HydrophobicContact CD1-CG 3.55Å; I189-M337 HydrophobicContact CG1-CG 3.82Å; I189-M337 HydrophobicContact CG2-CG 4.11Å; A201-M337 HydrophobicContact CB-CE 4.2Å; V203-M337 HydrophobicContact CB-CE 4.4Å; V203-M337 HydrophobicContact CG1-CE 3.85Å; V203-M337 HydrophobicContact CG1-SD 3.86Å; L317-M337 HydrophobicContact CD2-SD 4.17Å; Y333-M337 HydrophobicContact CD1-CG 4.26Å; Y333-M337 HydrophobicContact CD1-SD 4.03Å; Y333-M337 HydrophobicContact CE1-CG 4.07Å; Y333-M337 HydrophobicContact CE1-SD 3.71Å; Y333-M337 WeakPolarHBondContact O-CG 3.38Å; Y333-M337 PolarHBondContact O-N 2.74Å; L334-M337 WeakPolarHBondContact O-CB 3.41Å; L334-M337 PolarHBondContact O-N 3.27Å; A335-M337 VanDerWaalsContact C-N 3.31Å; A335-M337 PolarHBondContact O-N 3.49Å; M337-V341 WeakPolarHBondContact O-CG2 3.3Å; M337-V341 PolarHBondContact O-N 3.42Å
338	V	94.1	Very high	89.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.2	-46.2	178.2	175.4	0	0	0	0	110.7	M216 F223 I236 I255 F265 L334 A335 V336 R340 V341 I342	M216-V338 HydrophobicContact CE-CG2 3.62Å; M216-V338 HydrophobicContact SD-CG2 4.21Å; F223-V338 HydrophobicContact CD1-CG1 4.3Å; F223-V338 HydrophobicContact CE1-CG1 4.48Å; F223-V338 HydrophobicContact CG-CG1 4.37Å; I236-V338 HydrophobicContact CG1-CG2 3.92Å; I255-V338 HydrophobicContact CD1-CB 4.5Å; I255-V338 HydrophobicContact CD1-CG1 4.05Å; I255-V338 HydrophobicContact CG1-CB 4.46Å; I255-V338 HydrophobicContact CG1-CG1 4.36Å; I255-V338 HydrophobicContact CG2-CG1 4.04Å; F265-V338 HydrophobicContact CD2-CG1 3.97Å; F265-V338 HydrophobicContact CE2-CG1 3.98Å; L334-V338 WeakPolarHBondContact O-CG2 3.38Å; L334-V338 PolarHBondContact O-N 3.28Å; A335-V338 PolarHBondContact O-N 2.91Å; A335-V338 VanDerWaalsContact O-N 3.17Å; V336-V338 PolarHBondContact O-N 3.46Å; V338-R340 PolarHBondContact O-N 2.9Å; V338-V341 PolarHBondContact O-N 2.84Å; V338-V341 VanDerWaalsContact O-N 3.11Å; V338-I342 HydrophobicContact CG1-CD1 3.85Å; V338-I342 HydrophobicContact CG1-CG1 4.45Å; V338-I342 WeakPolarHBondContact O-CG1 3.27Å; V338-I342 PolarHBondContact O-N 3.05Å
339	R	92.1	Very high	89	Confident	29 Å²	29	31.2 Å²	31.2	11%	0.109	18%	0.175	C	C	.	.	H	α-helix	trans	-55.2	-48.7	177.8	-176.4	-179.3	177	74.1	4.5	111.7	I255 G256 E258 A335 V336 V341 I342 L343 R580	I255-R339 HydrophobicContact CG2-CB 4.47Å; I255-R339 WeakPolarHBondContact O-CB 3.38Å; I255-R339 WeakPolarHBondContact O-CD 3.32Å; I255-R339 WeakPolarHBondContact O-CG 3.4Å; I255-R339 PolarHBondContact O-NH1 3.25Å; G256-R339 VanDerWaalsContact CA-NH1 3.31Å; E258-R339 VanDerWaalsContact CD-NH2 3.34Å; E258-R339 IonicContact OE1-CZ 2.97Å; E258-R339 IonicContact OE1-NH1 2.84Å; E258-R339 IonicContact OE1-NH2 3.72Å; E258-R339 PolarHBondContact OE1-NH2 3.23Å; E258-R339 IonicContact OE2-CZ 3.19Å; E258-R339 IonicContact OE2-NH1 2.88Å; E258-R339 PolarHBondContact OE2-NH1 2.75Å; E258-R339 IonicContact OE2-NH2 3.14Å; E258-R339 PolarHBondContact OE2-NH2 3.39Å; E258-R339 VanDerWaalsContact OE2-NH2 3.15Å; A335-R339 WeakPolarHBondContact O-CB 3.47Å; A335-R339 PolarHBondContact O-N 3.01Å; V336-R339 PolarHBondContact O-N 3.12Å; R339-V341 VanDerWaalsContact C-N 3.3Å; R339-V341 PolarHBondContact O-N 2.91Å; R339-I342 PolarHBondContact O-N 2.93Å; R339-L343 HydrophobicContact CG-CD1 4.04Å; R339-L343 HydrophobicContact CG-CG 4.41Å; R339-L343 WeakPolarHBondContact O-CG 3.45Å; R339-L343 PolarHBondContact O-N 3.49Å; R339-R580 VanDerWaalsContact NH2-NH2 3.14Å
340	R	91.3	Very high	88.9	Confident	25 Å²	25	32.5 Å²	32.5	9%	0.094	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-35.5	178.7	-70.9	-169.5	87.1	-142.5	0.7	112.5	I189 V191 V336 V338 A344 D351 D579	I189-R340 PolarHBondContact O-NH1 3.28Å; V191-R340 HydrophobicContact CG2-CB 4.01Å; V336-R340 WeakPolarHBondContact O-CG 3.47Å; V336-R340 PolarHBondContact O-N 2.62Å; V338-R340 PolarHBondContact O-N 2.9Å; R340-A344 WeakPolarHBondContact O-CB 3.4Å; R340-A344 PolarHBondContact O-N 2.81Å; R340-D351 IonicContact CZ-OD2 2.76Å; R340-D351 IonicContact NH1-OD2 3.55Å; R340-D351 PolarHBondContact NH1-OD2 3.4Å; R340-D351 VanDerWaalsContact NH1-OD2 3.11Å; R340-D351 IonicContact NH2-OD1 2.67Å; R340-D351 PolarHBondContact NH2-OD1 2.96Å; R340-D351 IonicContact NH2-OD2 3.36Å; R340-D351 PolarHBondContact NH2-OD2 3.3Å; R340-D579 IonicContact CZ-OD1 2.76Å; R340-D579 IonicContact CZ-OD2 2.94Å; R340-D579 IonicContact NE-OD1 2.74Å; R340-D579 PolarHBondContact NE-OD1 3.09Å; R340-D579 IonicContact NE-OD2 3.03Å; R340-D579 IonicContact NH2-OD1 2.75Å; R340-D579 PolarHBondContact NH2-OD1 3.36Å; R340-D579 IonicContact NH2-OD2 3.79Å; R340-D579 PolarHBondContact NH2-OD2 3.08Å
341	V	93	Very high	88.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.5	-42.5	175	176.5	0	0	0	0	111.2	V199 A201 M216 V218 F223 M337 V338 R339 A344 Q345	V199-V341 HydrophobicContact CG1-CG1 4.39Å; A201-V341 HydrophobicContact CB-CG2 3.43Å; A201-V341 VanDerWaalsContact CB-CG2 3.43Å; M216-V341 HydrophobicContact CG-CG2 4.29Å; V218-V341 HydrophobicContact CG2-CG1 3.69Å; F223-V341 HydrophobicContact CE1-CB 4.42Å; F223-V341 HydrophobicContact CE1-CG1 3.93Å; M337-V341 WeakPolarHBondContact O-CG2 3.3Å; M337-V341 PolarHBondContact O-N 3.42Å; V338-V341 PolarHBondContact O-N 2.84Å; V338-V341 VanDerWaalsContact O-N 3.11Å; R339-V341 VanDerWaalsContact C-N 3.3Å; R339-V341 PolarHBondContact O-N 2.91Å; V341-A344 PolarHBondContact O-N 3.36Å; V341-Q345 WeakPolarHBondContact O-CG 3.34Å; V341-Q345 PolarHBondContact O-N 3Å
342	I	92.1	Very high	88.4	Confident	4 Å²	4	38 Å²	38	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-50.2	178.3	-67.3	167.2	0	0	0	110.6	F223 I255 V261 F265 V338 R339 A344 Q345 G346	F223-I342 HydrophobicContact CE1-CG1 3.95Å; F223-I342 HydrophobicContact CE2-CD1 4.21Å; F223-I342 HydrophobicContact CE2-CG1 4.12Å; F223-I342 HydrophobicContact CZ-CD1 3.98Å; F223-I342 HydrophobicContact CZ-CG1 3.4Å; F223-I342 VanDerWaalsContact CZ-CG1 3.4Å; I255-I342 HydrophobicContact CG2-CD1 3.82Å; V261-I342 HydrophobicContact CB-CG2 4.38Å; V261-I342 HydrophobicContact CG1-CD1 3.92Å; V261-I342 HydrophobicContact CG1-CG2 4.26Å; V261-I342 HydrophobicContact CG2-CG2 4.13Å; F265-I342 HydrophobicContact CB-CD1 4.36Å; V338-I342 HydrophobicContact CG1-CD1 3.85Å; V338-I342 HydrophobicContact CG1-CG1 4.45Å; V338-I342 WeakPolarHBondContact O-CG1 3.27Å; V338-I342 PolarHBondContact O-N 3.05Å; R339-I342 PolarHBondContact O-N 2.93Å; I342-A344 VanDerWaalsContact C-N 3.26Å; I342-A344 PolarHBondContact O-N 2.98Å; I342-Q345 WeakPolarHBondContact O-CB 3.39Å; I342-Q345 PolarHBondContact O-N 3.22Å; I342-G346 PolarHBondContact O-N 3.24Å
343	L	88.9	Confident	88.2	Confident	55 Å²	55	42.2 Å²	42.2	29%	0.288	23%	0.225	S	C	.	.	H	α-helix	trans	-61.3	-37	179.6	-65.6	176.3	0	0	0	111.9	V261 R339 Q345 G346 D347	V261-L343 HydrophobicContact CG2-CD2 4.35Å; R339-L343 HydrophobicContact CG-CD1 4.04Å; R339-L343 HydrophobicContact CG-CG 4.41Å; R339-L343 WeakPolarHBondContact O-CG 3.45Å; R339-L343 PolarHBondContact O-N 3.49Å; L343-Q345 VanDerWaalsContact C-N 3.28Å; L343-Q345 PolarHBondContact O-N 2.7Å; L343-G346 PolarHBondContact O-N 3Å; L343-D347 PolarHBondContact O-N 3.32Å
344	A	87.6	Confident	88	Confident	4 Å²	4	43 Å²	43	3%	0.033	23%	0.229	C	C	.	.	H	α-helix	trans	-70	-20.8	176.8	0	0	0	0	0	114	V191 V199 R340 V341 I342 N348 K349	V191-A344 HydrophobicContact CG1-CB 3.68Å; V199-A344 HydrophobicContact CG1-CB 3.79Å; R340-A344 WeakPolarHBondContact O-CB 3.4Å; R340-A344 PolarHBondContact O-N 2.81Å; V341-A344 PolarHBondContact O-N 3.36Å; I342-A344 VanDerWaalsContact C-N 3.26Å; I342-A344 PolarHBondContact O-N 2.98Å; A344-N348 VanDerWaalsContact O-CA 3.23Å; A344-N348 WeakPolarHBondContact O-CA 3.25Å; A344-N348 PolarHBondContact O-N 3.44Å; A344-K349 VanDerWaalsContact CB-O 3.25Å; A344-K349 WeakPolarHBondContact CB-O 3.49Å
345	Q	85.3	Confident	88	Confident	70 Å²	70	44.8 Å²	44.8	33%	0.327	24%	0.236	S	C	.	.	H	α-helix	trans	-75	-28.7	172	-72.9	177.4	-35.8	0	0	112.9	V199 V341 I342 L343	V199-Q345 HydrophobicContact CB-CG 4.02Å; V199-Q345 HydrophobicContact CG2-CG 4.13Å; V341-Q345 WeakPolarHBondContact O-CG 3.34Å; V341-Q345 PolarHBondContact O-N 3Å; I342-Q345 WeakPolarHBondContact O-CB 3.39Å; I342-Q345 PolarHBondContact O-N 3.22Å; L343-Q345 VanDerWaalsContact C-N 3.28Å; L343-Q345 PolarHBondContact O-N 2.7Å
346	G	77.3	Confident	88	Confident	61 Å²	61	45.2 Å²	45.2	63%	0.629	24%	0.238	S	C	*	.	H	α-helix	trans	-74.2	-55.7	177.6	0	0	0	0	0	112.4	I342 L343	I342-G346 PolarHBondContact O-N 3.24Å; L343-G346 PolarHBondContact O-N 3Å
347	D	76.4	Confident	88.1	Confident	145 Å²	145	44.5 Å²	44.5	78%	0.775	23%	0.234	S	C	*	.	H	α-helix	trans	-101.1	7.8	-170.8	-69.3	-17.1	0	0	0	114.1	L343 K349	L343-D347 PolarHBondContact O-N 3.32Å; D347-K349 PolarHBondContact O-N 3.36Å; D347-K349 VanDerWaalsContact O-N 3.09Å
348	N	74.8	Confident	88	Confident	112 Å²	112	44.9 Å²	44.9	60%	0.599	24%	0.235	S	C	*	.			trans	49.2	34.1	-172.7	-75.2	18.5	0	0	0	113.7	A344 V350	A344-N348 VanDerWaalsContact O-CA 3.23Å; A344-N348 WeakPolarHBondContact O-CA 3.25Å; A344-N348 PolarHBondContact O-N 3.44Å; N348-V350 PolarHBondContact O-N 3.33Å
349	K	81.4	Confident	88	Confident	102 Å²	102	45.4 Å²	45.4	44%	0.443	24%	0.238	S	C	.	.			trans	-84.8	98	-176.9	-165.3	175.6	-173.6	172.5	0	111	A344 D347 T578	A344-K349 VanDerWaalsContact CB-O 3.25Å; A344-K349 WeakPolarHBondContact CB-O 3.49Å; D347-K349 PolarHBondContact O-N 3.36Å; D347-K349 VanDerWaalsContact O-N 3.09Å; K349-T578 PolarHBondContact NZ-OG1 3.31Å
350	V	87.9	Confident	88	Confident	56 Å²	56	45 Å²	45	34%	0.339	24%	0.236	S	C	.	.			trans	-105.5	141.2	-177.6	-167.5	0	0	0	0	110.2	V191 E192 Q193 N348	V191-V350 WeakPolarHBondContact O-CG1 3.49Å; E192-V350 VanDerWaalsContact CA-CG1 3.48Å; Q193-V350 HydrophobicContact CB-CG2 4.41Å; N348-V350 PolarHBondContact O-N 3.33Å
351	D	89.3	Confident	88.2	Confident	36 Å²	36	43.9 Å²	43.9	19%	0.193	23%	0.232	C	C	.	.			trans	-74.5	130.8	176	-69	-41.1	0	0	0	109.9	I190 V191 R340 R353	I190-D351 HydrophobicContact CG2-CB 4.49Å; V191-D351 PolarHBondContact N-OD2 3.5Å; V191-D351 PolarHBondContact O-N 3.04Å; R340-D351 IonicContact CZ-OD2 2.76Å; R340-D351 IonicContact NH1-OD2 3.55Å; R340-D351 PolarHBondContact NH1-OD2 3.4Å; R340-D351 VanDerWaalsContact NH1-OD2 3.11Å; R340-D351 IonicContact NH2-OD1 2.67Å; R340-D351 PolarHBondContact NH2-OD1 2.96Å; R340-D351 IonicContact NH2-OD2 3.36Å; R340-D351 PolarHBondContact NH2-OD2 3.3Å; D351-R353 PolarHBondContact O-N 2.88Å
352	D	87.3	Confident	88.2	Confident	79 Å²	79	44.6 Å²	44.6	42%	0.422	24%	0.235	S	C	.	.			trans	-75.5	121.6	172.6	-175.8	11.4	0	0	0	110.7	D354 N358 Q471	D352-D354 PolarHBondContact O-N 3.24Å; D352-D354 PolarHBondContact OD1-N 2.74Å; D352-N358 PolarHBondContact O-ND2 2.62Å; D352-Q471 PolarHBondContact OD2-NE2 3.19Å
353	R	86	Confident	88.3	Confident	92 Å²	92	44.6 Å²	44.6	35%	0.347	24%	0.235	S	C	.	.	S	Bend	trans	-68.4	-28.3	176	-72.6	-177.5	151.7	159.9	-2.4	112.7	L184 I190 E192 D351 Y355 K359	L184-R353 HydrophobicContact CD2-CB 4.43Å; L184-R353 WeakPolarHBondContact CD2-O 3.41Å; I190-R353 HydrophobicContact CG2-CG 4.33Å; E192-R353 VanDerWaalsContact CD-CZ 3.47Å; E192-R353 IonicContact OE1-CZ 3.61Å; E192-R353 IonicContact OE1-NH1 3.48Å; E192-R353 IonicContact OE1-NH2 2.69Å; E192-R353 PolarHBondContact OE1-NH2 2.99Å; E192-R353 IonicContact OE2-CZ 3.04Å; E192-R353 IonicContact OE2-NE 2.76Å; E192-R353 IonicContact OE2-NH1 2.82Å; E192-R353 PolarHBondContact OE2-NH1 3.47Å; E192-R353 IonicContact OE2-NH2 3.03Å; E192-R353 PolarHBondContact OE2-NH2 3.33Å; D351-R353 PolarHBondContact O-N 2.88Å; R353-Y355 VanDerWaalsContact C-N 3.35Å; R353-K359 WeakPolarHBondContact O-CE 3.28Å
354	D	90.2	Very high	88.5	Confident	19 Å²	19	42 Å²	42	10%	0.102	22%	0.222	C	C	.	.	S	Bend	trans	-83.9	-16.9	-171.8	-78.6	-43.2	0	0	0	113.2	D352 Y356 K359 P467 Q471	D352-D354 PolarHBondContact O-N 3.24Å; D352-D354 PolarHBondContact OD1-N 2.74Å; D354-Y356 PolarHBondContact O-N 3.3Å; D354-K359 WeakPolarHBondContact O-CD 3.33Å; D354-K359 VanDerWaalsContact O-CE 3.24Å; D354-K359 WeakPolarHBondContact O-CE 3.44Å; D354-K359 PolarHBondContact O-NZ 3.08Å; D354-K359 IonicContact OD1-NZ 2.71Å; D354-K359 PolarHBondContact OD1-NZ 2.81Å; D354-P467 WeakPolarHBondContact OD1-CB 3.2Å; D354-P467 VanDerWaalsContact OD2-CA 3.29Å; D354-P467 WeakPolarHBondContact OD2-CA 3.46Å; D354-Q471 VanDerWaalsContact C-CD 3.46Å; D354-Q471 HydrophobicContact CB-CG 4.46Å; D354-Q471 PolarHBondContact O-OE1 3.32Å
355	Y	94.2	Very high	88.8	Confident	36 Å²	36	41.8 Å²	41.8	14%	0.141	22%	0.22	C	C	.	.			trans	-54.6	127.1	174.2	-179.7	-108.4	0	0	0	112.1	R353 G357 N358 Q471 V634 N635 N638	R353-Y355 VanDerWaalsContact C-N 3.35Å; Y355-G357 VanDerWaalsContact C-N 3.28Å; Y355-G357 PolarHBondContact O-N 3.23Å; Y355-N358 WeakPolarHBondContact O-CA 3.46Å; Y355-N358 WeakPolarHBondContact O-CB 3.41Å; Y355-N358 PolarHBondContact O-N 3.43Å; Y355-Q471 VanDerWaalsContact CA-OE1 3.25Å; Y355-Q471 VanDerWaalsContact N-OE1 3.09Å; Y355-V634 HydrophobicContact CE1-CG1 4.19Å; Y355-V634 HydrophobicContact CE2-CG1 3.89Å; Y355-V634 WeakPolarHBondContact OH-CG1 3.5Å; Y355-V634 PolarHBondContact OH-O 2.89Å; Y355-N635 WeakPolarHBondContact CE1-OD1 3.41Å; Y355-N638 PolarHBondContact OH-ND2 3.38Å; Y355-N638 PolarHBondContact OH-OD1 3.33Å
356	Y	93.8	Very high	89.1	Confident	9 Å²	9	40.1 Å²	40.1	4%	0.035	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-67.9	-24.5	-171.3	-86.4	-91.6	0	0	0	114.6	D354 N358 K359 Q474 L478 K493 L591	D354-Y356 PolarHBondContact O-N 3.3Å; Y356-N358 PolarHBondContact O-N 3.08Å; Y356-K359 HydrophobicContact CD1-CB 4.47Å; Y356-K359 HydrophobicContact CD1-CD 4.26Å; Y356-K359 HydrophobicContact CE1-CD 4.3Å; Y356-K359 HydrophobicContact CG-CD 4.47Å; Y356-K359 WeakPolarHBondContact O-CA 3.48Å; Y356-K359 PolarHBondContact O-N 2.81Å; Y356-K359 VanDerWaalsContact O-O 3.12Å; Y356-Q474 HydrophobicContact CD2-CB 3.81Å; Y356-Q474 HydrophobicContact CE2-CB 3.74Å; Y356-Q474 HydrophobicContact CG-CB 4.47Å; Y356-L478 HydrophobicContact CD1-CD1 4.28Å; Y356-L478 HydrophobicContact CE1-CD1 3.34Å; Y356-L478 HydrophobicContact CE1-CG 4.3Å; Y356-L478 HydrophobicContact CE2-CD1 4.06Å; Y356-L478 WeakPolarHBondContact OH-CD1 3.48Å; Y356-K493 WeakPolarHBondContact OH-CD 3.27Å; Y356-K493 WeakPolarHBondContact OH-CE 3.06Å; Y356-K493 PolarHBondContact OH-NZ 2.83Å; Y356-L591 HydrophobicContact CD1-CD1 3.7Å; Y356-L591 HydrophobicContact CE1-CD1 4.36Å
357	G	92.9	Very high	89.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-65.5	-20.9	171.8	0	0	0	0	0	113.6	Y355 R360 V634 N635	Y355-G357 VanDerWaalsContact C-N 3.28Å; Y355-G357 PolarHBondContact O-N 3.23Å; G357-R360 PolarHBondContact O-NH1 2.96Å; G357-V634 VanDerWaalsContact N-CG1 3.34Å; G357-N635 VanDerWaalsContact CA-OD1 3.23Å; G357-N635 WeakPolarHBondContact CA-OD1 3.08Å
358	N	93	Very high	90.6	Very high	8 Å²	8	30.4 Å²	30.4	4%	0.043	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-91.6	0.3	172.1	-65.9	-28.2	0	0	0	112.7	L184 S185 R188 D352 Y355 Y356	L184-N358 CarbonylContact C-O 3.31Å; S185-N358 WeakPolarHBondContact CB-O 3.38Å; S185-N358 PolarHBondContact N-O 2.77Å; R188-N358 VanDerWaalsContact CZ-OD1 3.23Å; R188-N358 PolarHBondContact NE-OD1 3.31Å; R188-N358 PolarHBondContact NH2-OD1 2.72Å; D352-N358 PolarHBondContact O-ND2 2.62Å; Y355-N358 WeakPolarHBondContact O-CA 3.46Å; Y355-N358 WeakPolarHBondContact O-CB 3.41Å; Y355-N358 PolarHBondContact O-N 3.43Å; Y356-N358 PolarHBondContact O-N 3.08Å
359	K	92.6	Very high	91.5	Very high	12 Å²	12	25.9 Å²	25.9	5%	0.052	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	153.9	179.2	-68.6	169.8	166.3	-179.8	0	110.6	E182 Q183 L184 R353 D354 Y356	E182-K359 HydrophobicContact CG-CB 4.45Å; E182-K359 HydrophobicContact CG-CD 4.12Å; E182-K359 HydrophobicContact CG-CG 4.47Å; E182-K359 WeakPolarHBondContact OE1-CD 3.35Å; E182-K359 WeakPolarHBondContact OE1-CE 3.33Å; E182-K359 IonicContact OE1-NZ 3.22Å; E182-K359 PolarHBondContact OE1-NZ 3.24Å; Q183-K359 CarbonylContact O-C 3.56Å; Q183-K359 WeakPolarHBondContact O-CA 3.5Å; L184-K359 HydrophobicContact CD2-CG 4.46Å; R353-K359 WeakPolarHBondContact O-CE 3.28Å; D354-K359 WeakPolarHBondContact O-CD 3.33Å; D354-K359 VanDerWaalsContact O-CE 3.24Å; D354-K359 WeakPolarHBondContact O-CE 3.44Å; D354-K359 PolarHBondContact O-NZ 3.08Å; D354-K359 IonicContact OD1-NZ 2.71Å; D354-K359 PolarHBondContact OD1-NZ 2.81Å; Y356-K359 HydrophobicContact CD1-CB 4.47Å; Y356-K359 HydrophobicContact CD1-CD 4.26Å; Y356-K359 HydrophobicContact CE1-CD 4.3Å; Y356-K359 HydrophobicContact CG-CD 4.47Å; Y356-K359 WeakPolarHBondContact O-CA 3.48Å; Y356-K359 PolarHBondContact O-N 2.81Å; Y356-K359 VanDerWaalsContact O-O 3.12Å
360	R	93.1	Very high	91.9	Very high	19 Å²	19	22.9 Å²	22.9	7%	0.072	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141.3	175.5	-65.2	-64.3	-177.4	-92.2	4.5	109.2	Q183 G357 D587 G589 R590	Q183-R360 PolarHBondContact N-O 2.76Å; Q183-R360 PolarHBondContact O-N 3.19Å; G357-R360 PolarHBondContact O-NH1 2.96Å; R360-D587 IonicContact CZ-OD1 2.64Å; R360-D587 IonicContact CZ-OD2 3.61Å; R360-D587 IonicContact NE-OD1 2.63Å; R360-D587 IonicContact NE-OD2 2.77Å; R360-D587 PolarHBondContact NE-OD2 3.14Å; R360-D587 IonicContact NH2-OD1 3.34Å; R360-D587 PolarHBondContact NH2-OD1 3.36Å; R360-D587 VanDerWaalsContact NH2-OD1 3.16Å; R360-D587 IonicContact NH2-OD2 3.25Å; R360-D587 PolarHBondContact NH2-OD2 3.04Å; R360-G589 CarbonylContact C-O 3.59Å; R360-G589 WeakPolarHBondContact CA-O 3.45Å; R360-R590 VanDerWaalsContact NE-CG 3.27Å
361	L	94.6	Very high	92.2	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112.8	177	-61.5	-170.6	0	0	0	109.2	I180 E182 L363 Q366 I454 L495 I501 G589 L591	I180-L361 HydrophobicContact CG2-CB 3.75Å; I180-L361 HydrophobicContact CG2-CD1 4.13Å; I180-L361 HydrophobicContact CG2-CD2 4.3Å; I180-L361 HydrophobicContact CG2-CG 4.28Å; E182-L361 HydrophobicContact CB-CD2 3.99Å; E182-L361 HydrophobicContact CG-CD2 4.31Å; L361-L363 PolarHBondContact O-N 3.4Å; L361-Q366 PolarHBondContact O-OE1 3.33Å; L361-I454 HydrophobicContact CD1-CD1 3.71Å; L361-I454 HydrophobicContact CD1-CG1 4.24Å; L361-I454 HydrophobicContact CD2-CD1 4.34Å; L361-I454 HydrophobicContact CD2-CG2 3.9Å; L361-L495 HydrophobicContact CD1-CD2 4.32Å; L361-I501 HydrophobicContact CB-CD1 4.4Å; L361-I501 HydrophobicContact CD1-CD1 3.66Å; L361-I501 HydrophobicContact CD1-CG1 4.3Å; L361-G589 PolarHBondContact N-O 3.22Å; L361-G589 WeakPolarHBondContact O-CA 3.37Å; L361-L591 HydrophobicContact CD1-CD1 4.29Å; L361-L591 HydrophobicContact CD1-CD2 3.65Å; L361-L591 HydrophobicContact CD1-CG 4.05Å
362	E	92.7	Very high	92.5	Very high	14 Å²	14	19 Å²	19	7%	0.065	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	116.5	168.2	-83.7	-173	-166.1	0	0	109.8	Q181 Q183 K186 Q366 L367 R432	Q181-E362 HydrophobicContact CB-CB 4.31Å; Q181-E362 PolarHBondContact N-O 3.19Å; Q181-E362 PolarHBondContact O-N 3.28Å; Q183-E362 VanDerWaalsContact CD-CD 3.42Å; Q183-E362 VanDerWaalsContact CD-OE1 3.29Å; Q183-E362 HydrophobicContact CG-CG 4.27Å; Q183-E362 PolarHBondContact NE2-OE1 2.81Å; Q183-E362 VanDerWaalsContact NE2-OE1 3.07Å; Q183-E362 PolarHBondContact NE2-OE2 3.18Å; Q183-E362 PolarHBondContact OE1-OE1 3.11Å; K186-E362 IonicContact NZ-OE1 2.93Å; K186-E362 PolarHBondContact NZ-OE1 3.34Å; E362-Q366 VanDerWaalsContact CA-OE1 3.28Å; E362-L367 WeakPolarHBondContact OE2-CD2 3.4Å; E362-R432 IonicContact OE2-NH1 3.17Å; E362-R432 PolarHBondContact OE2-NH1 2.81Å
363	L	94.4	Very high	92.7	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	7%	0.072	C	C	.	.			trans	-88.3	174.9	-179.3	-64.6	173.3	0	0	0	112.2	Q42 S46 I180 L361 G365 Q366 L367 I501	Q42-L363 HydrophobicContact CB-CD2 4.35Å; S46-L363 VanDerWaalsContact OG-CB 3.31Å; S46-L363 WeakPolarHBondContact OG-CB 3.37Å; I180-L363 HydrophobicContact CD1-CD2 4.01Å; I180-L363 HydrophobicContact CG1-CD2 3.95Å; I180-L363 HydrophobicContact CG2-CD2 4.03Å; L361-L363 PolarHBondContact O-N 3.4Å; L363-G365 PolarHBondContact O-N 3.06Å; L363-Q366 PolarHBondContact O-N 3.21Å; L363-L367 WeakPolarHBondContact O-CG 3.16Å; L363-L367 PolarHBondContact O-N 2.92Å; L363-L367 VanDerWaalsContact O-N 3.16Å; L363-I501 HydrophobicContact CD1-CB 4.16Å; L363-I501 HydrophobicContact CD1-CG2 3.7Å; L363-I501 HydrophobicContact CD2-CD1 3.76Å; L363-I501 HydrophobicContact CD2-CG2 4.43Å; L363-I501 HydrophobicContact CG-CG2 4.2Å
364	A	93.5	Very high	92.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-57.2	-46	-178.5	0	0	0	0	0	113.4	M139 I178 L367 L368	M139-A364 HydrophobicContact CE-CB 3.81Å; I178-A364 HydrophobicContact CB-CB 4.06Å; I178-A364 HydrophobicContact CD1-CB 4.14Å; I178-A364 HydrophobicContact CG2-CB 4.24Å; A364-L367 PolarHBondContact O-N 2.98Å; A364-L368 WeakPolarHBondContact O-CB 3.48Å; A364-L368 WeakPolarHBondContact O-CD1 3.15Å; A364-L368 VanDerWaalsContact O-CG 3.26Å; A364-L368 WeakPolarHBondContact O-CG 3.32Å; A364-L368 PolarHBondContact O-N 2.91Å
365	G	93.5	Very high	93.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.9	-44.1	-179.8	0	0	0	0	0	112.8	S46 L363 L367 L368 S369	S46-G365 VanDerWaalsContact OG-CA 3.23Å; S46-G365 WeakPolarHBondContact OG-CA 3.4Å; S46-G365 PolarHBondContact OG-N 2.93Å; L363-G365 PolarHBondContact O-N 3.06Å; G365-L367 VanDerWaalsContact C-N 3.35Å; G365-L367 PolarHBondContact O-N 2.92Å; G365-L368 PolarHBondContact O-N 2.77Å; G365-S369 WeakPolarHBondContact O-CB 2.95Å; G365-S369 PolarHBondContact O-N 2.82Å
366	Q	91.3	Very high	93	Very high	35 Å²	35	9.8 Å²	9.8	16%	0.164	5%	0.049	C	C	.	.	H	α-helix	trans	-63.3	-39.8	178.5	-70.6	166.9	-32.4	0	0	112.1	L361 E362 L363 S369 L370	L361-Q366 PolarHBondContact O-OE1 3.33Å; E362-Q366 VanDerWaalsContact CA-OE1 3.28Å; L363-Q366 PolarHBondContact O-N 3.21Å; Q366-S369 VanDerWaalsContact O-CB 3.3Å; Q366-S369 WeakPolarHBondContact O-CB 3.42Å; Q366-S369 PolarHBondContact O-N 3.26Å; Q366-L370 PolarHBondContact O-N 3.03Å
367	L	92.1	Very high	92.9	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-62.8	-51.4	173.6	-68.9	170.2	0	0	0	110.1	I178 Q181 E362 L363 A364 G365 S369 L370 L371 W423 V435	I178-L367 HydrophobicContact CG2-CD1 3.63Å; Q181-L367 HydrophobicContact CG-CD1 4.09Å; E362-L367 WeakPolarHBondContact OE2-CD2 3.4Å; L363-L367 WeakPolarHBondContact O-CG 3.16Å; L363-L367 PolarHBondContact O-N 2.92Å; L363-L367 VanDerWaalsContact O-N 3.16Å; A364-L367 PolarHBondContact O-N 2.98Å; G365-L367 VanDerWaalsContact C-N 3.35Å; G365-L367 PolarHBondContact O-N 2.92Å; L367-S369 PolarHBondContact O-N 3.06Å; L367-L370 WeakPolarHBondContact O-CB 3.19Å; L367-L370 PolarHBondContact O-N 3.42Å; L367-L370 VanDerWaalsContact O-N 3.08Å; L367-L371 PolarHBondContact O-N 3.06Å; L367-L371 VanDerWaalsContact O-N 3.15Å; L367-W423 HydrophobicContact CB-CE3 4.48Å; L367-W423 HydrophobicContact CB-CH2 3.73Å; L367-W423 HydrophobicContact CB-CZ2 4.27Å; L367-W423 HydrophobicContact CB-CZ3 3.87Å; L367-W423 WeakPolarHBondContact O-CZ3 3.43Å; L367-V435 HydrophobicContact CD1-CG1 3.87Å
368	L	94.8	Very high	92.9	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-59	-33.8	179.2	-70.7	165.6	0	0	0	112.8	F47 F50 F169 I178 A364 G365 L371 F372 M414 I418 W423	F47-L368 HydrophobicContact CD2-CD1 3.69Å; F47-L368 HydrophobicContact CE2-CD1 3.81Å; F50-L368 HydrophobicContact CD1-CB 4.27Å; F50-L368 HydrophobicContact CE1-CB 4.07Å; F50-L368 HydrophobicContact CZ-CB 4.32Å; F169-L368 HydrophobicContact CE1-CD1 4.39Å; F169-L368 HydrophobicContact CE2-CD1 4.32Å; F169-L368 HydrophobicContact CZ-CD1 3.63Å; I178-L368 HydrophobicContact CD1-CD1 4.07Å; I178-L368 HydrophobicContact CD1-CD2 4.22Å; I178-L368 HydrophobicContact CD1-CG 4.04Å; A364-L368 WeakPolarHBondContact O-CB 3.48Å; A364-L368 WeakPolarHBondContact O-CD1 3.15Å; A364-L368 VanDerWaalsContact O-CG 3.26Å; A364-L368 WeakPolarHBondContact O-CG 3.32Å; A364-L368 PolarHBondContact O-N 2.91Å; G365-L368 PolarHBondContact O-N 2.77Å; L368-L371 PolarHBondContact O-N 3Å; L368-F372 VanDerWaalsContact O-CB 3.31Å; L368-F372 WeakPolarHBondContact O-CB 3.42Å; L368-F372 PolarHBondContact O-N 3.2Å; L368-M414 HydrophobicContact CD2-CE 3.54Å; L368-I418 HydrophobicContact CD2-CD1 4.09Å; L368-I418 HydrophobicContact CD2-CG1 4.46Å; L368-W423 HydrophobicContact CD2-CH2 3.78Å; L368-W423 HydrophobicContact CD2-CZ2 4.49Å; L368-W423 HydrophobicContact CG-CH2 4.05Å
369	S	93.1	Very high	92.9	Very high	17 Å²	17	15.3 Å²	15.3	12%	0.119	7%	0.072	C	C	.	.	H	α-helix	trans	-56.3	-50.4	172.4	-157.9	0	0	0	0	112.1	E54 I58 G365 Q366 L367 L371 F372 E373	E54-S369 WeakPolarHBondContact OE2-CB 3.45Å; E54-S369 PolarHBondContact OE2-OG 3.34Å; I58-S369 WeakPolarHBondContact CD1-O 3.02Å; G365-S369 WeakPolarHBondContact O-CB 2.95Å; G365-S369 PolarHBondContact O-N 2.82Å; Q366-S369 VanDerWaalsContact O-CB 3.3Å; Q366-S369 WeakPolarHBondContact O-CB 3.42Å; Q366-S369 PolarHBondContact O-N 3.26Å; L367-S369 PolarHBondContact O-N 3.06Å; S369-L371 PolarHBondContact O-N 2.97Å; S369-F372 PolarHBondContact O-N 3.08Å; S369-E373 WeakPolarHBondContact O-CB 3.22Å; S369-E373 PolarHBondContact O-N 3.18Å
370	L	90.6	Very high	92.9	Very high	40 Å²	40	15.4 Å²	15.4	21%	0.209	7%	0.074	C	C	.	.	H	α-helix	trans	-63.2	-39.8	178	-63.8	172.7	0	0	0	112.4	Q366 L367 D374 L425 F428 M430	Q366-L370 PolarHBondContact O-N 3.03Å; L367-L370 WeakPolarHBondContact O-CB 3.19Å; L367-L370 PolarHBondContact O-N 3.42Å; L367-L370 VanDerWaalsContact O-N 3.08Å; L370-D374 PolarHBondContact O-N 3.08Å; L370-L425 HydrophobicContact CB-CD1 3.91Å; L370-F428 HydrophobicContact CB-CE2 4.34Å; L370-F428 HydrophobicContact CD2-CE1 4.3Å; L370-F428 HydrophobicContact CD2-CE2 4.14Å; L370-F428 HydrophobicContact CD2-CZ 3.99Å; L370-M430 HydrophobicContact CD1-CE 4.43Å
371	L	93.3	Very high	92.8	Very high	8 Å²	8	17.5 Å²	17.5	4%	0.042	10%	0.095	C	C	.	.	H	α-helix	trans	-69.8	-45	178.2	173.4	67.7	0	0	0	111.8	L367 L368 S369 E373 D374 L375 M414 A417 W423 L425	L367-L371 PolarHBondContact O-N 3.06Å; L367-L371 VanDerWaalsContact O-N 3.15Å; L368-L371 PolarHBondContact O-N 3Å; S369-L371 PolarHBondContact O-N 2.97Å; L371-E373 VanDerWaalsContact C-N 3.33Å; L371-E373 PolarHBondContact O-N 2.93Å; L371-D374 PolarHBondContact O-N 3.05Å; L371-L375 HydrophobicContact CD1-CD1 4.03Å; L371-L375 HydrophobicContact CD1-CG 4.18Å; L371-L375 HydrophobicContact CG-CD1 3.99Å; L371-L375 HydrophobicContact CG-CG 4.48Å; L371-L375 WeakPolarHBondContact O-CG 3.45Å; L371-L375 PolarHBondContact O-N 3.16Å; L371-M414 HydrophobicContact CD2-CE 4.16Å; L371-M414 HydrophobicContact CD2-SD 3.54Å; L371-M414 VanDerWaalsContact CD2-SD 3.54Å; L371-M414 HydrophobicContact CG-SD 3.73Å; L371-A417 HydrophobicContact CD1-CB 4.18Å; L371-A417 HydrophobicContact CD2-CB 3.46Å; L371-A417 VanDerWaalsContact CD2-CB 3.46Å; L371-A417 HydrophobicContact CG-CB 4.5Å; L371-W423 HydrophobicContact CB-CE3 3.8Å; L371-W423 HydrophobicContact CB-CH2 4.24Å; L371-W423 HydrophobicContact CB-CZ3 3.32Å; L371-W423 HydrophobicContact CD2-CE3 4.19Å; L371-W423 HydrophobicContact CD2-CH2 3.97Å; L371-W423 HydrophobicContact CD2-CZ3 3.71Å; L371-W423 HydrophobicContact CG-CE3 4.45Å; L371-W423 HydrophobicContact CG-CZ3 4.1Å; L371-L425 HydrophobicContact CD1-CD2 3.82Å
372	F	94.9	Very high	92.7	Very high	1 Å²	1	20.2 Å²	20.2	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-63	-41.8	177.9	-177.3	-100.8	0	0	0	110.9	F50 I55 I58 I80 I113 M136 L368 S369 D374 L375 F376 I410	F50-F372 HydrophobicContact CE2-CB 4.16Å; F50-F372 HydrophobicContact CZ-CB 3.93Å; F50-F372 HydrophobicContact CZ-CG 4.25Å; I55-F372 HydrophobicContact CD1-CE1 4Å; I55-F372 HydrophobicContact CD1-CE2 4.44Å; I55-F372 HydrophobicContact CD1-CZ 3.95Å; I55-F372 HydrophobicContact CG1-CD1 3.98Å; I55-F372 HydrophobicContact CG1-CE1 3.49Å; I55-F372 VanDerWaalsContact CG1-CE1 3.49Å; I55-F372 HydrophobicContact CG1-CZ 3.95Å; I58-F372 HydrophobicContact CD1-CD1 3.99Å; I58-F372 HydrophobicContact CG2-CD1 4.12Å; I58-F372 HydrophobicContact CG2-CE1 4.24Å; I80-F372 HydrophobicContact CD1-CE1 4.42Å; I80-F372 HydrophobicContact CD1-CZ 3.97Å; I113-F372 HydrophobicContact CD1-CE2 3.88Å; M136-F372 HydrophobicContact CE-CD2 3.96Å; M136-F372 HydrophobicContact CE-CE2 4.41Å; L368-F372 VanDerWaalsContact O-CB 3.31Å; L368-F372 WeakPolarHBondContact O-CB 3.42Å; L368-F372 PolarHBondContact O-N 3.2Å; S369-F372 PolarHBondContact O-N 3.08Å; F372-D374 PolarHBondContact O-N 3.3Å; F372-L375 PolarHBondContact O-N 2.82Å; F372-F376 HydrophobicContact CE1-CB 4.31Å; F372-F376 HydrophobicContact CE1-CG 4.44Å; F372-F376 HydrophobicContact CZ-CB 4.47Å; F372-F376 HydrophobicContact CZ-CD2 4.27Å; F372-F376 WeakPolarHBondContact O-CB 3.42Å; F372-F376 PolarHBondContact O-N 3.04Å; F372-I410 HydrophobicContact CE2-CG2 4.28Å
373	E	91.6	Very high	92.6	Very high	13 Å²	13	19.7 Å²	19.7	6%	0.061	11%	0.105	C	C	.	.	H	α-helix	trans	-59.3	-44.6	175.7	-170.5	-170.1	161.7	0	0	112.2	I58 S369 L371 K377 R427	I58-E373 HydrophobicContact CD1-CB 4.13Å; I58-E373 HydrophobicContact CG1-CB 4.31Å; I58-E373 HydrophobicContact CG2-CB 4.09Å; I58-E373 HydrophobicContact CG2-CG 4.05Å; S369-E373 WeakPolarHBondContact O-CB 3.22Å; S369-E373 PolarHBondContact O-N 3.18Å; L371-E373 VanDerWaalsContact C-N 3.33Å; L371-E373 PolarHBondContact O-N 2.93Å; E373-K377 HydrophobicContact CG-CD 4.27Å; E373-K377 WeakPolarHBondContact O-CB 3.29Å; E373-K377 WeakPolarHBondContact O-CG 3.49Å; E373-K377 PolarHBondContact O-N 3.14Å; E373-K377 IonicContact OE1-NZ 2.77Å; E373-K377 PolarHBondContact OE1-NZ 3.12Å; E373-R427 IonicContact OE1-CZ 3.08Å; E373-R427 IonicContact OE1-NH1 3.16Å; E373-R427 PolarHBondContact OE1-NH1 3.12Å; E373-R427 IonicContact OE1-NH2 2.83Å
374	D	90.9	Very high	92.5	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.037	12%	0.116	C	C	.	.	H	α-helix	trans	-66.7	-42	178.8	-172.4	64.4	0	0	0	111.9	L370 L371 F372 K378 L425	L370-D374 PolarHBondContact O-N 3.08Å; L371-D374 PolarHBondContact O-N 3.05Å; F372-D374 PolarHBondContact O-N 3.3Å; D374-K378 WeakPolarHBondContact O-CB 3.47Å; D374-K378 VanDerWaalsContact O-CG 3.3Å; D374-K378 WeakPolarHBondContact O-CG 3.29Å; D374-K378 PolarHBondContact O-N 2.85Å; D374-K378 WeakPolarHBondContact OD2-CE 3.33Å; D374-K378 IonicContact OD2-NZ 3.78Å; D374-K378 PolarHBondContact OD2-NZ 2.96Å; D374-L425 HydrophobicContact CB-CD2 3.92Å
375	L	93.5	Very high	92.4	Very high	13 Å²	13	28.5 Å²	28.5	7%	0.068	14%	0.143	C	C	.	.	H	α-helix	trans	-65.8	-42.7	176.2	-69.3	174.7	0	0	0	111.8	L371 F372 K377 K378 F379 M414	L371-L375 HydrophobicContact CD1-CD1 4.03Å; L371-L375 HydrophobicContact CD1-CG 4.18Å; L371-L375 HydrophobicContact CG-CD1 3.99Å; L371-L375 HydrophobicContact CG-CG 4.48Å; L371-L375 WeakPolarHBondContact O-CG 3.45Å; L371-L375 PolarHBondContact O-N 3.16Å; F372-L375 PolarHBondContact O-N 2.82Å; L375-K377 VanDerWaalsContact C-N 3.35Å; L375-K377 PolarHBondContact O-N 2.79Å; L375-K378 PolarHBondContact O-N 3.01Å; L375-F379 WeakPolarHBondContact O-CB 3.35Å; L375-F379 PolarHBondContact O-N 3.46Å; L375-M414 HydrophobicContact CD1-CG 3.89Å; L375-M414 HydrophobicContact CD1-SD 3.6Å; L375-M414 VanDerWaalsContact CD1-SD 3.6Å
376	F	93.8	Very high	92.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-38.9	178.9	-169.3	-115.2	0	0	0	111.5	I58 N62 Y77 I133 F372 F379 N380	I58-F376 HydrophobicContact CG2-CD1 4.34Å; N62-F376 HydrophobicContact CB-CD1 4.34Å; N62-F376 HydrophobicContact CB-CE1 4.1Å; Y77-F376 HydrophobicContact CD1-CZ 4.48Å; Y77-F376 HydrophobicContact CD2-CE1 4.37Å; Y77-F376 AromaticContact CD2-CZ 3.82Å; Y77-F376 HydrophobicContact CD2-CZ 3.82Å; Y77-F376 HydrophobicContact CE1-CZ 4.28Å; Y77-F376 HydrophobicContact CE2-CE1 4.21Å; Y77-F376 HydrophobicContact CE2-CE2 4.38Å; Y77-F376 AromaticContact CE2-CZ 3.57Å; Y77-F376 HydrophobicContact CE2-CZ 3.57Å; Y77-F376 HydrophobicContact CG-CZ 4.26Å; Y77-F376 AromaticContact CZ-CZ 3.81Å; I133-F376 HydrophobicContact CD1-CD2 4.45Å; I133-F376 HydrophobicContact CD1-CE2 4.06Å; F372-F376 HydrophobicContact CE1-CB 4.31Å; F372-F376 HydrophobicContact CE1-CG 4.44Å; F372-F376 HydrophobicContact CZ-CB 4.47Å; F372-F376 HydrophobicContact CZ-CD2 4.27Å; F372-F376 WeakPolarHBondContact O-CB 3.42Å; F372-F376 PolarHBondContact O-N 3.04Å; F376-F379 WeakPolarHBondContact O-CB 3.28Å; F376-F379 PolarHBondContact O-N 3.33Å; F376-N380 WeakPolarHBondContact CE1-ND2 3.2Å; F376-N380 WeakPolarHBondContact O-CB 3.33Å; F376-N380 VanDerWaalsContact O-CG 3.22Å; F376-N380 PolarHBondContact O-N 3.18Å; F376-N380 PolarHBondContact O-ND2 2.98Å
377	K	91.4	Very high	92	Very high	47 Å²	47	28.2 Å²	28.2	20%	0.204	14%	0.142	C	C	.	.	H	α-helix	trans	-68.1	-39.5	173.6	-79.8	175.1	170	167.4	0	113	N62 E373 L375 F379 N380 A381	N62-K377 WeakPolarHBondContact ND2-CE 3.45Å; N62-K377 WeakPolarHBondContact OD1-CE 3.47Å; N62-K377 PolarHBondContact OD1-NZ 3.29Å; E373-K377 HydrophobicContact CG-CD 4.27Å; E373-K377 WeakPolarHBondContact O-CB 3.29Å; E373-K377 WeakPolarHBondContact O-CG 3.49Å; E373-K377 PolarHBondContact O-N 3.14Å; E373-K377 IonicContact OE1-NZ 2.77Å; E373-K377 PolarHBondContact OE1-NZ 3.12Å; L375-K377 VanDerWaalsContact C-N 3.35Å; L375-K377 PolarHBondContact O-N 2.79Å; K377-F379 VanDerWaalsContact C-N 3.33Å; K377-N380 PolarHBondContact O-N 3.03Å; K377-A381 VanDerWaalsContact O-CB 3.3Å; K377-A381 WeakPolarHBondContact O-CB 3.49Å; K377-A381 PolarHBondContact O-N 3.15Å
378	K	91.4	Very high	91.9	Very high	84 Å²	84	30 Å²	30	37%	0.365	15%	0.152	S	C	.	.	H	α-helix	trans	-61.8	-43.2	173.2	-77.6	168.2	176.4	164.3	0	111.4	D374 L375 A381 E382	D374-K378 WeakPolarHBondContact O-CB 3.47Å; D374-K378 VanDerWaalsContact O-CG 3.3Å; D374-K378 WeakPolarHBondContact O-CG 3.29Å; D374-K378 PolarHBondContact O-N 2.85Å; D374-K378 WeakPolarHBondContact OD2-CE 3.33Å; D374-K378 IonicContact OD2-NZ 3.78Å; D374-K378 PolarHBondContact OD2-NZ 2.96Å; L375-K378 PolarHBondContact O-N 3.01Å; K378-A381 PolarHBondContact O-N 3.26Å; K378-E382 WeakPolarHBondContact O-CB 3.4Å; K378-E382 PolarHBondContact O-N 3.37Å
379	F	93.8	Very high	91.5	Very high	2 Å²	2	35 Å²	35	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-58.8	-49.5	174.4	178.5	-101.1	0	0	0	111.5	I133 L375 F376 K377 A381 E382 L383 M405 Q409 I410	I133-F379 HydrophobicContact CB-CZ 4.45Å; I133-F379 HydrophobicContact CG2-CE1 4.39Å; I133-F379 HydrophobicContact CG2-CZ 4.27Å; L375-F379 WeakPolarHBondContact O-CB 3.35Å; L375-F379 PolarHBondContact O-N 3.46Å; F376-F379 WeakPolarHBondContact O-CB 3.28Å; F376-F379 PolarHBondContact O-N 3.33Å; K377-F379 VanDerWaalsContact C-N 3.33Å; F379-A381 PolarHBondContact O-N 3.33Å; F379-E382 PolarHBondContact O-N 3.25Å; F379-L383 HydrophobicContact CD1-CD1 3.88Å; F379-L383 HydrophobicContact CE1-CD1 3.38Å; F379-L383 HydrophobicContact CE1-CG 4.26Å; F379-L383 HydrophobicContact CZ-CD1 3.75Å; F379-L383 HydrophobicContact CZ-CG 4.33Å; F379-L383 WeakPolarHBondContact O-CG 3.29Å; F379-L383 PolarHBondContact O-N 3.37Å; F379-M405 HydrophobicContact CE1-SD 4.44Å; F379-M405 HydrophobicContact CZ-CB 3.97Å; F379-M405 HydrophobicContact CZ-CG 3.93Å; F379-M405 HydrophobicContact CZ-SD 4.08Å; F379-Q409 VanDerWaalsContact CA-OE1 3.31Å; F379-I410 HydrophobicContact CG-CD1 4.46Å
380	N	93.1	Very high	91.2	Very high	15 Å²	15	35.7 Å²	35.7	8%	0.08	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-39.2	177.2	-70.5	-15.4	0	0	0	112.8	I65 Y77 F376 K377 L383 K384	I65-N380 HydrophobicContact CD1-CB 3.58Å; I65-N380 WeakPolarHBondContact CD1-OD1 3.08Å; I65-N380 HydrophobicContact CG1-CB 4.32Å; Y77-N380 WeakPolarHBondContact CE2-OD1 3.31Å; Y77-N380 PolarHBondContact OH-OD1 3.12Å; F376-N380 WeakPolarHBondContact CE1-ND2 3.2Å; F376-N380 WeakPolarHBondContact O-CB 3.33Å; F376-N380 VanDerWaalsContact O-CG 3.22Å; F376-N380 PolarHBondContact O-N 3.18Å; F376-N380 PolarHBondContact O-ND2 2.98Å; K377-N380 PolarHBondContact O-N 3.03Å; N380-L383 PolarHBondContact O-N 2.63Å; N380-K384 WeakPolarHBondContact O-CB 3.49Å; N380-K384 PolarHBondContact O-N 2.74Å
381	A	91.3	Very high	90.9	Very high	62 Å²	62	35.8 Å²	35.8	51%	0.512	18%	0.178	S	C	.	.	H	α-helix	trans	-67.3	-36.4	176.8	0	0	0	0	0	112.3	K377 K378 F379 K385	K377-A381 VanDerWaalsContact O-CB 3.3Å; K377-A381 WeakPolarHBondContact O-CB 3.49Å; K377-A381 PolarHBondContact O-N 3.15Å; K378-A381 PolarHBondContact O-N 3.26Å; F379-A381 PolarHBondContact O-N 3.33Å; A381-K385 WeakPolarHBondContact O-CB 3.23Å; A381-K385 PolarHBondContact O-N 3.16Å
382	E	91.9	Very high	90.5	Very high	60 Å²	60	39.3 Å²	39.3	28%	0.28	20%	0.201	S	C	.	.	H	α-helix	trans	-68.1	-44.2	174	-173.8	168.4	171.8	0	0	111.2	K378 F379 K384 K385 I386 R406 Q409	K378-E382 WeakPolarHBondContact O-CB 3.4Å; K378-E382 PolarHBondContact O-N 3.37Å; F379-E382 PolarHBondContact O-N 3.25Å; E382-K384 PolarHBondContact O-N 2.94Å; E382-K385 PolarHBondContact O-N 3.39Å; E382-I386 HydrophobicContact CG-CD1 4.11Å; E382-I386 VanDerWaalsContact O-CG1 3.29Å; E382-I386 WeakPolarHBondContact O-CG1 3.35Å; E382-I386 PolarHBondContact O-N 3.5Å; E382-R406 IonicContact OE1-NH1 3.28Å; E382-Q409 VanDerWaalsContact OE2-CD 3.31Å; E382-Q409 PolarHBondContact OE2-NE2 2.95Å; E382-Q409 PolarHBondContact OE2-OE1 2.93Å
383	L	91	Very high	89.9	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-45.8	173.8	-73.8	179.7	0	0	0	112	L75 F379 N380 K385 I386 A387 V401 H404 M405	L75-L383 HydrophobicContact CD2-CD1 4.25Å; F379-L383 HydrophobicContact CD1-CD1 3.88Å; F379-L383 HydrophobicContact CE1-CD1 3.38Å; F379-L383 HydrophobicContact CE1-CG 4.26Å; F379-L383 HydrophobicContact CZ-CD1 3.75Å; F379-L383 HydrophobicContact CZ-CG 4.33Å; F379-L383 WeakPolarHBondContact O-CG 3.29Å; F379-L383 PolarHBondContact O-N 3.37Å; N380-L383 PolarHBondContact O-N 2.63Å; L383-K385 PolarHBondContact O-N 2.99Å; L383-I386 PolarHBondContact O-N 2.85Å; L383-A387 WeakPolarHBondContact O-CB 3.44Å; L383-A387 PolarHBondContact O-N 3.42Å; L383-V401 HydrophobicContact CD2-CG2 4.09Å; L383-H404 HydrophobicContact CD2-CB 4.45Å; L383-M405 HydrophobicContact CD1-CE 4.08Å; L383-M405 HydrophobicContact CD1-CG 4.28Å; L383-M405 HydrophobicContact CD2-CG 4.15Å
384	K	91.3	Very high	88.8	Confident	58 Å²	58	54.7 Å²	54.7	25%	0.252	27%	0.271	S	S	.	.	H	α-helix	trans	-58.4	-48.5	175	-177.6	178	177.3	-177.9	0	111	I65 T66 D68 N380 E382 I386 A387 D388	I65-K384 HydrophobicContact CG2-CB 3.94Å; I65-K384 HydrophobicContact CG2-CG 4.41Å; T66-K384 WeakPolarHBondContact O-CE 3.47Å; D68-K384 WeakPolarHBondContact OD1-CE 3.44Å; D68-K384 IonicContact OD1-NZ 2.89Å; D68-K384 PolarHBondContact OD1-NZ 3.35Å; D68-K384 VanDerWaalsContact OD2-CE 3.3Å; D68-K384 WeakPolarHBondContact OD2-CE 3.42Å; D68-K384 IonicContact OD2-NZ 3.79Å; D68-K384 PolarHBondContact OD2-NZ 3.35Å; N380-K384 WeakPolarHBondContact O-CB 3.49Å; N380-K384 PolarHBondContact O-N 2.74Å; E382-K384 PolarHBondContact O-N 2.94Å; K384-I386 VanDerWaalsContact C-N 3.29Å; K384-I386 PolarHBondContact O-N 2.75Å; K384-A387 WeakPolarHBondContact O-CB 3.32Å; K384-A387 PolarHBondContact O-N 3.27Å; K384-A387 VanDerWaalsContact O-N 3.13Å; K384-D388 WeakPolarHBondContact CE-OD2 3.4Å; K384-D388 WeakPolarHBondContact CG-OD2 3.37Å; K384-D388 PolarHBondContact O-N 3.24Å
385	K	91.1	Very high	87.8	Confident	130 Å²	130	62.3 Å²	62.3	57%	0.565	30%	0.299	S	S	*	.	H	α-helix	trans	-58.7	-40.3	178.1	-176.8	-177.9	177.3	-176	0	112.3	A381 E382 L383 Q389	A381-K385 WeakPolarHBondContact O-CB 3.23Å; A381-K385 PolarHBondContact O-N 3.16Å; E382-K385 PolarHBondContact O-N 3.39Å; L383-K385 PolarHBondContact O-N 2.99Å; K385-Q389 WeakPolarHBondContact O-CB 3.39Å; K385-Q389 VanDerWaalsContact O-CG 3.23Å; K385-Q389 WeakPolarHBondContact O-CG 3.43Å; K385-Q389 PolarHBondContact O-N 3.19Å; K385-Q389 VanDerWaalsContact O-N 3.12Å
386	I	89.9	Confident	86.2	Confident	29 Å²	29	67.4 Å²	67.4	15%	0.149	34%	0.343	C	S	.	.	H	α-helix	trans	-65.7	-44.6	176.5	-69.2	167.3	0	0	0	110.4	E382 L383 K384 Q389 I390 F399 H404	E382-I386 HydrophobicContact CG-CD1 4.11Å; E382-I386 VanDerWaalsContact O-CG1 3.29Å; E382-I386 WeakPolarHBondContact O-CG1 3.35Å; E382-I386 PolarHBondContact O-N 3.5Å; L383-I386 PolarHBondContact O-N 2.85Å; K384-I386 VanDerWaalsContact C-N 3.29Å; K384-I386 PolarHBondContact O-N 2.75Å; I386-Q389 PolarHBondContact O-N 3.45Å; I386-I390 HydrophobicContact CG2-CD1 3.58Å; I386-I390 HydrophobicContact CG2-CG1 4.41Å; I386-I390 WeakPolarHBondContact O-CB 3.46Å; I386-I390 WeakPolarHBondContact O-CG1 3.45Å; I386-I390 PolarHBondContact O-N 3.18Å; I386-F399 HydrophobicContact CG2-CE2 4.13Å; I386-F399 HydrophobicContact CG2-CZ 4.28Å; I386-H404 HydrophobicContact CD1-CB 4.37Å; I386-H404 HydrophobicContact CG2-CB 4.11Å
387	A	87.6	Confident	85.1	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-58.6	-52	176.4	0	0	0	0	0	111.1	W73 L383 K384 Q389 I390 I391 F399	W73-A387 HydrophobicContact CE3-CB 4.3Å; W73-A387 HydrophobicContact CH2-CB 3.88Å; W73-A387 HydrophobicContact CZ2-CB 4.44Å; W73-A387 HydrophobicContact CZ3-CB 3.8Å; L383-A387 WeakPolarHBondContact O-CB 3.44Å; L383-A387 PolarHBondContact O-N 3.42Å; K384-A387 WeakPolarHBondContact O-CB 3.32Å; K384-A387 PolarHBondContact O-N 3.27Å; K384-A387 VanDerWaalsContact O-N 3.13Å; A387-Q389 PolarHBondContact O-N 3.19Å; A387-I390 PolarHBondContact O-N 2.92Å; A387-I390 VanDerWaalsContact O-N 3.16Å; A387-I391 HydrophobicContact CB-CD1 3.81Å; A387-I391 VanDerWaalsContact O-CB 3.25Å; A387-I391 WeakPolarHBondContact O-CB 3.34Å; A387-I391 WeakPolarHBondContact O-CG1 3.26Å; A387-I391 PolarHBondContact O-N 2.82Å; A387-F399 HydrophobicContact CB-CE1 3.79Å; A387-F399 HydrophobicContact CB-CZ 4Å
388	D	89.2	Confident	84.4	Confident	39 Å²	39	74.1 Å²	74.1	21%	0.209	39%	0.388	C	S	.	.	H	α-helix	trans	-63.4	-24	179.9	-65.6	-29.1	0	0	0	113.3	S67 D68 K384 P392	S67-D388 WeakPolarHBondContact CA-OD1 3.41Å; S67-D388 WeakPolarHBondContact CB-OD1 3.36Å; S67-D388 PolarHBondContact OG-OD1 3.04Å; D68-D388 PolarHBondContact N-OD1 3.47Å; K384-D388 WeakPolarHBondContact CE-OD2 3.4Å; K384-D388 WeakPolarHBondContact CG-OD2 3.37Å; K384-D388 PolarHBondContact O-N 3.24Å; D388-P392 WeakPolarHBondContact O-CD 3.49Å; D388-P392 WeakPolarHBondContact O-CG 3.43Å
389	Q	87.9	Confident	83.9	Confident	107 Å²	107	71.4 Å²	71.4	50%	0.5	38%	0.376	S	S	.	.	H	α-helix	trans	-84.8	-30.7	175.9	-76.5	-178	-3.6	0	0	114	K385 I386 A387 K393	K385-Q389 WeakPolarHBondContact O-CB 3.39Å; K385-Q389 VanDerWaalsContact O-CG 3.23Å; K385-Q389 WeakPolarHBondContact O-CG 3.43Å; K385-Q389 PolarHBondContact O-N 3.19Å; K385-Q389 VanDerWaalsContact O-N 3.12Å; I386-Q389 PolarHBondContact O-N 3.45Å; A387-Q389 PolarHBondContact O-N 3.19Å; Q389-K393 WeakPolarHBondContact O-CD 3.48Å; Q389-K393 WeakPolarHBondContact O-CE 3.29Å
390	I	86.8	Confident	83.5	Confident	31 Å²	31	72.2 Å²	72.2	16%	0.159	38%	0.381	C	S	.	.	H	α-helix	trans	-96.6	-42.9	-173	-64.8	176.2	0	0	0	111.4	I386 A387 K393 F399	I386-I390 HydrophobicContact CG2-CD1 3.58Å; I386-I390 HydrophobicContact CG2-CG1 4.41Å; I386-I390 WeakPolarHBondContact O-CB 3.46Å; I386-I390 WeakPolarHBondContact O-CG1 3.45Å; I386-I390 PolarHBondContact O-N 3.18Å; A387-I390 PolarHBondContact O-N 2.92Å; A387-I390 VanDerWaalsContact O-N 3.16Å; I390-K393 WeakPolarHBondContact O-CB 3.48Å; I390-K393 PolarHBondContact O-N 3.11Å; I390-F399 HydrophobicContact CB-CD2 4.06Å; I390-F399 HydrophobicContact CB-CE2 4.22Å; I390-F399 HydrophobicContact CD1-CD2 4.34Å; I390-F399 HydrophobicContact CD1-CE2 3.97Å; I390-F399 HydrophobicContact CG2-CD2 3.69Å; I390-F399 HydrophobicContact CG2-CE2 4.29Å; I390-F399 HydrophobicContact CG2-CG 4.48Å
391	I	83.6	Confident	83.1	Confident	41 Å²	41	71.5 Å²	71.5	21%	0.21	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-46.1	-178.5	-67.8	170.3	0	0	0	113.2	D70 W73 A387 K393 F399	D70-I391 HydrophobicContact CB-CG2 3.7Å; W73-I391 HydrophobicContact CB-CD1 4.24Å; W73-I391 HydrophobicContact CD2-CD1 3.96Å; W73-I391 HydrophobicContact CE3-CD1 4.21Å; W73-I391 HydrophobicContact CG-CD1 3.95Å; A387-I391 HydrophobicContact CB-CD1 3.81Å; A387-I391 VanDerWaalsContact O-CB 3.25Å; A387-I391 WeakPolarHBondContact O-CB 3.34Å; A387-I391 WeakPolarHBondContact O-CG1 3.26Å; A387-I391 PolarHBondContact O-N 2.82Å; I391-K393 PolarHBondContact O-N 2.88Å; I391-F399 HydrophobicContact CD1-CD1 4.22Å; I391-F399 HydrophobicContact CG1-CB 4.41Å; I391-F399 HydrophobicContact CG1-CD1 4.05Å; I391-F399 HydrophobicContact CG1-CG 4.27Å
392	P	84.6	Confident	82.9	Confident	83 Å²	83	70.4 Å²	70.4	54%	0.539	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.4	179.6	27	-35.3	0	0	0	113.8	D388	D388-P392 WeakPolarHBondContact O-CD 3.49Å; D388-P392 WeakPolarHBondContact O-CG 3.43Å
393	K	82.4	Confident	82.7	Confident	130 Å²	130	75.6 Å²	75.6	57%	0.565	39%	0.386	S	S	*	.	S	Bend	trans	-88.5	112.8	177.9	-62.9	-177.2	-178.1	-177.8	0	109.2	Q389 I390 I391 R395	Q389-K393 WeakPolarHBondContact O-CD 3.48Å; Q389-K393 WeakPolarHBondContact O-CE 3.29Å; I390-K393 WeakPolarHBondContact O-CB 3.48Å; I390-K393 PolarHBondContact O-N 3.11Å; I391-K393 PolarHBondContact O-N 2.88Å; K393-R395 PolarHBondContact O-N 3.42Å; K393-R395 VanDerWaalsContact O-N 3.08Å
394	Q	67.4	Low	82.5	Confident	206 Å²	206	78.4 Å²	78.4	96%	0.963	40%	0.398	S	S	*	.			trans	-60.2	114.7	174.2	-74	-175.9	-10.3	0	0	110.6
395	R	70	Confident	82.3	Confident	168 Å²	168	76.5 Å²	76.5	63%	0.634	39%	0.391	S	S	*	.			trans	-128.4	151.8	174.8	-71.8	-176.6	172.2	-172.4	-3.1	109.2	K393 A397	K393-R395 PolarHBondContact O-N 3.42Å; K393-R395 VanDerWaalsContact O-N 3.08Å; R395-A397 PolarHBondContact O-N 3.02Å
396	A	60.3	Low	82.2	Confident	120 Å²	120	77.8 Å²	77.8	99%	0.992	39%	0.392	S	S	*	.	S	Bend	trans	-64.3	-24.9	177	0	0	0	0	0	113.6
397	A	71.8	Confident	82.2	Confident	76 Å²	76	80.1 Å²	80.1	63%	0.628	40%	0.402	S	S	*	.	S	Bend	trans	-101.8	128	178.1	0	0	0	0	0	111.3	R395	R395-A397 PolarHBondContact O-N 3.02Å
398	Q	75.2	Confident	82.3	Confident	112 Å²	112	85.3 Å²	85.3	52%	0.523	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-60.8	140.1	172.8	-66.8	-178.8	-7.2	0	0	111.2	R121 D400	R121-Q398 HydrophobicContact CG-CB 4.15Å; Q398-D400 PolarHBondContact O-N 3.44Å
399	F	81.4	Confident	82.5	Confident	26 Å²	26	86 Å²	86	11%	0.114	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-61.6	127.9	180	177.8	-112.8	0	0	0	111.2	W73 I386 A387 I390 I391 V401 H404	W73-F399 AromaticContact CE2-CE1 3.98Å; W73-F399 HydrophobicContact CH2-CE1 4.38Å; W73-F399 HydrophobicContact CZ2-CD1 4.31Å; W73-F399 AromaticContact CZ2-CE1 3.72Å; W73-F399 HydrophobicContact CZ2-CE1 3.72Å; W73-F399 AromaticContact NE1-CD1 3.9Å; I386-F399 HydrophobicContact CG2-CE2 4.13Å; I386-F399 HydrophobicContact CG2-CZ 4.28Å; A387-F399 HydrophobicContact CB-CE1 3.79Å; A387-F399 HydrophobicContact CB-CZ 4Å; I390-F399 HydrophobicContact CB-CD2 4.06Å; I390-F399 HydrophobicContact CB-CE2 4.22Å; I390-F399 HydrophobicContact CD1-CD2 4.34Å; I390-F399 HydrophobicContact CD1-CE2 3.97Å; I390-F399 HydrophobicContact CG2-CD2 3.69Å; I390-F399 HydrophobicContact CG2-CE2 4.29Å; I390-F399 HydrophobicContact CG2-CG 4.48Å; I391-F399 HydrophobicContact CD1-CD1 4.22Å; I391-F399 HydrophobicContact CG1-CB 4.41Å; I391-F399 HydrophobicContact CG1-CD1 4.05Å; I391-F399 HydrophobicContact CG1-CG 4.27Å; F399-V401 HydrophobicContact CE1-CB 4.18Å; F399-V401 HydrophobicContact CZ-CB 4.43Å; F399-H404 AromaticContact CE2-CD2 3.4Å; F399-H404 WeakPolarHBondContact CE2-CD2 3.41Å; F399-H404 AromaticContact CE2-NE2 3.72Å
400	D	85.1	Confident	82.8	Confident	20 Å²	20	80.9 Å²	80.9	11%	0.107	41%	0.408	C	S	.	.			trans	-123.6	110.3	177.2	-174.5	7.8	0	0	0	109.2	Y119 Q398 V402 K403 H404	Y119-D400 VanDerWaalsContact CE2-OD1 3.3Å; Y119-D400 WeakPolarHBondContact CE2-OD1 3.44Å; Y119-D400 VanDerWaalsContact CZ-OD1 3.27Å; Y119-D400 PolarHBondContact OH-OD1 2.76Å; Q398-D400 PolarHBondContact O-N 3.44Å; D400-V402 PolarHBondContact O-N 3.49Å; D400-V402 PolarHBondContact OD1-N 2.88Å; D400-K403 PolarHBondContact O-N 3.17Å; D400-H404 PolarHBondContact O-CD2 3.16Å
401	V	84.9	Confident	83.2	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-66	-26.1	-173.6	70.2	0	0	0	0	112.7	W73 L75 Y119 L383 F399 K403 H404 M405	W73-V401 HydrophobicContact CH2-CG2 4.45Å; W73-V401 HydrophobicContact CZ2-CB 4.07Å; W73-V401 HydrophobicContact CZ2-CG2 4.16Å; L75-V401 HydrophobicContact CD1-CG1 4.25Å; L75-V401 HydrophobicContact CD2-CG1 4.49Å; L75-V401 HydrophobicContact CD2-CG2 4.23Å; Y119-V401 HydrophobicContact CD1-CG1 4.48Å; Y119-V401 HydrophobicContact CD2-CG1 3.79Å; Y119-V401 HydrophobicContact CE2-CG1 4.1Å; Y119-V401 HydrophobicContact CG-CG1 3.98Å; L383-V401 HydrophobicContact CD2-CG2 4.09Å; F399-V401 HydrophobicContact CE1-CB 4.18Å; F399-V401 HydrophobicContact CZ-CB 4.43Å; V401-K403 PolarHBondContact O-N 3.4Å; V401-H404 PolarHBondContact O-N 3Å; V401-M405 HydrophobicContact CG1-CE 4.46Å; V401-M405 HydrophobicContact CG2-CE 4.5Å; V401-M405 PolarHBondContact O-N 3.39Å
402	V	88.1	Confident	83.7	Confident	38 Å²	38	82.4 Å²	82.4	23%	0.23	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-59.8	-37.4	-178.3	179.6	0	0	0	0	111.3	I117 Y119 R128 L131 D400 H404 M405	I117-V402 HydrophobicContact CD1-CG2 4.04Å; Y119-V402 HydrophobicContact CE1-CG2 3.99Å; R128-V402 HydrophobicContact CG-CG2 4.47Å; L131-V402 HydrophobicContact CD1-CG1 3.81Å; L131-V402 HydrophobicContact CD2-CG1 4.27Å; L131-V402 HydrophobicContact CD2-CG2 4.44Å; D400-V402 PolarHBondContact O-N 3.49Å; D400-V402 PolarHBondContact OD1-N 2.88Å; V402-H404 PolarHBondContact O-N 2.9Å; V402-M405 PolarHBondContact O-N 2.85Å
403	K	87.1	Confident	84.2	Confident	170 Å²	170	79.4 Å²	79.4	74%	0.739	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-67.5	-16.7	178.4	-62.6	-174.9	-179.5	-176.4	0	113.5	D400 V401	D400-K403 PolarHBondContact O-N 3.17Å; V401-K403 PolarHBondContact O-N 3.4Å
404	H	87	Confident	84.8	Confident	62 Å²	62	73.2 Å²	73.2	29%	0.287	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-107.3	0.2	-176	-63.2	-68.9	0	0	0	113.1	L383 I386 F399 D400 V401 V402 R406	L383-H404 HydrophobicContact CD2-CB 4.45Å; I386-H404 HydrophobicContact CD1-CB 4.37Å; I386-H404 HydrophobicContact CG2-CB 4.11Å; F399-H404 AromaticContact CE2-CD2 3.4Å; F399-H404 WeakPolarHBondContact CE2-CD2 3.41Å; F399-H404 AromaticContact CE2-NE2 3.72Å; D400-H404 PolarHBondContact O-CD2 3.16Å; V401-H404 PolarHBondContact O-N 3Å; V402-H404 PolarHBondContact O-N 2.9Å; H404-R406 PolarHBondContact O-N 3.32Å; H404-R406 VanDerWaalsContact O-N 3.1Å
405	M	87.1	Confident	86.1	Confident	18 Å²	18	64 Å²	64	9%	0.089	33%	0.332	C	S	.	.			trans	-76.1	95	175.7	-71.1	-154.8	178.2	0	0	111.5	L75 I117 L131 I133 F379 L383 V401 V402 Q407	L75-M405 HydrophobicContact CD1-CE 4.31Å; L75-M405 HydrophobicContact CD2-CE 3.63Å; I117-M405 HydrophobicContact CD1-CE 3.91Å; I117-M405 HydrophobicContact CG2-CE 4.44Å; L131-M405 HydrophobicContact CD2-CE 4.2Å; L131-M405 HydrophobicContact CD2-CG 4.47Å; L131-M405 HydrophobicContact CD2-SD 3.32Å; L131-M405 WeakPolarHBondContact CD2-SD 3.34Å; L131-M405 HydrophobicContact CG-SD 4.44Å; I133-M405 HydrophobicContact CG2-SD 3.99Å; F379-M405 HydrophobicContact CE1-SD 4.44Å; F379-M405 HydrophobicContact CZ-CB 3.97Å; F379-M405 HydrophobicContact CZ-CG 3.93Å; F379-M405 HydrophobicContact CZ-SD 4.08Å; L383-M405 HydrophobicContact CD1-CE 4.08Å; L383-M405 HydrophobicContact CD1-CG 4.28Å; L383-M405 HydrophobicContact CD2-CG 4.15Å; V401-M405 HydrophobicContact CG1-CE 4.46Å; V401-M405 HydrophobicContact CG2-CE 4.5Å; V401-M405 PolarHBondContact O-N 3.39Å; V402-M405 PolarHBondContact O-N 2.85Å; M405-Q407 PolarHBondContact O-N 3.15Å
406	R	88.8	Confident	87.3	Confident	157 Å²	157	59.3 Å²	59.3	59%	0.592	32%	0.32	S	S	*	.			trans	-81	108.8	178.9	-71.5	-179	167.7	-179.7	-7	112.1	E382 H404 D408	E382-R406 IonicContact OE1-NH1 3.28Å; H404-R406 PolarHBondContact O-N 3.32Å; H404-R406 VanDerWaalsContact O-N 3.1Å; R406-D408 VanDerWaalsContact C-N 3.26Å; R406-D408 PolarHBondContact O-N 3.32Å
407	Q	89.9	Confident	89	Confident	79 Å²	79	54 Å²	54	37%	0.369	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-25.3	-179.9	-60.9	175.8	18.3	0	0	114	P132 I133 M405 Q409 T411	P132-Q407 WeakPolarHBondContact O-CG 3.26Å; P132-Q407 PolarHBondContact O-NE2 3.28Å; I133-Q407 WeakPolarHBondContact O-CA 3.32Å; M405-Q407 PolarHBondContact O-N 3.15Å; Q407-Q409 VanDerWaalsContact C-N 3.26Å; Q407-Q409 PolarHBondContact O-N 3Å; Q407-T411 PolarHBondContact O-N 3.05Å; Q407-T411 PolarHBondContact O-OG1 3.07Å
408	D	90	Very high	90.1	Very high	109 Å²	109	50.4 Å²	50.4	58%	0.583	25%	0.246	S	C	*	.	H	α-helix	trans	-64.1	-29.1	-175.5	-68.1	-38	0	0	0	113.5	R406 N412	R406-D408 VanDerWaalsContact C-N 3.26Å; R406-D408 PolarHBondContact O-N 3.32Å; D408-N412 WeakPolarHBondContact O-CB 3.34Å; D408-N412 PolarHBondContact O-N 3.29Å; D408-N412 PolarHBondContact O-ND2 3.33Å
409	Q	92.6	Very high	91.1	Very high	53 Å²	53	46.3 Å²	46.3	25%	0.248	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-46.3	-173.9	-170.7	173.8	30.5	0	0	111.7	F379 E382 Q407 G413	F379-Q409 VanDerWaalsContact CA-OE1 3.31Å; E382-Q409 VanDerWaalsContact OE2-CD 3.31Å; E382-Q409 PolarHBondContact OE2-NE2 2.95Å; E382-Q409 PolarHBondContact OE2-OE1 2.93Å; Q407-Q409 VanDerWaalsContact C-N 3.26Å; Q407-Q409 PolarHBondContact O-N 3Å; Q409-G413 PolarHBondContact O-N 3.49Å; Q409-G413 VanDerWaalsContact O-N 3.11Å
410	I	94.5	Very high	91.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-71.2	-48.6	177.7	-62.6	-178.4	0	0	0	109.6	I113 I133 F372 F379 N412 G413 M414	I113-I410 HydrophobicContact CD1-CG2 4.06Å; I133-I410 HydrophobicContact CB-CD1 4.42Å; I133-I410 HydrophobicContact CD1-CD1 4.11Å; I133-I410 HydrophobicContact CG1-CD1 4.31Å; F372-I410 HydrophobicContact CE2-CG2 4.28Å; F379-I410 HydrophobicContact CG-CD1 4.46Å; I410-N412 PolarHBondContact O-N 2.89Å; I410-G413 PolarHBondContact O-N 3.07Å; I410-M414 HydrophobicContact CG2-CG 4.36Å; I410-M414 WeakPolarHBondContact O-CG 3.46Å; I410-M414 PolarHBondContact O-N 3.34Å
411	T	94.7	Very high	92	Very high	26 Å²	26	48.1 Å²	48.1	16%	0.16	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-51.9	-176.4	-53.6	0	0	0	0	111.9	G134 R135 Q407 G413 M414 V415	G134-T411 WeakPolarHBondContact CA-OG1 3.49Å; R135-T411 HydrophobicContact CB-CG2 3.99Å; R135-T411 HydrophobicContact CG-CG2 4.41Å; R135-T411 PolarHBondContact N-OG1 2.91Å; Q407-T411 PolarHBondContact O-N 3.05Å; Q407-T411 PolarHBondContact O-OG1 3.07Å; T411-G413 VanDerWaalsContact C-N 3.35Å; T411-G413 PolarHBondContact O-N 2.78Å; T411-M414 PolarHBondContact O-N 3.36Å; T411-V415 WeakPolarHBondContact O-CB 3.38Å; T411-V415 VanDerWaalsContact O-CG2 3.31Å; T411-V415 WeakPolarHBondContact O-CG2 3.48Å; T411-V415 PolarHBondContact O-N 2.94Å
412	N	94.7	Very high	92.3	Very high	78 Å²	78	51.3 Å²	51.3	42%	0.417	26%	0.261	S	S	.	.	H	α-helix	trans	-68.3	-35.8	179	-69.5	-46.4	0	0	0	111.7	D408 I410 N416	D408-N412 WeakPolarHBondContact O-CB 3.34Å; D408-N412 PolarHBondContact O-N 3.29Å; D408-N412 PolarHBondContact O-ND2 3.33Å; I410-N412 PolarHBondContact O-N 2.89Å; N412-N416 WeakPolarHBondContact O-CB 3.24Å; N412-N416 PolarHBondContact O-N 2.92Å; N412-N416 PolarHBondContact O-ND2 3.07Å
413	G	94.6	Very high	92.4	Very high	19 Å²	19	49.5 Å²	49.5	20%	0.196	25%	0.25	C	S	.	.	H	α-helix	trans	-57	-50.8	174.8	0	0	0	0	0	112.2	Q409 I410 T411 A417	Q409-G413 PolarHBondContact O-N 3.49Å; Q409-G413 VanDerWaalsContact O-N 3.11Å; I410-G413 PolarHBondContact O-N 3.07Å; T411-G413 VanDerWaalsContact C-N 3.35Å; T411-G413 PolarHBondContact O-N 2.78Å; G413-A417 WeakPolarHBondContact O-CB 3.34Å; G413-A417 PolarHBondContact O-N 2.87Å; G413-A417 VanDerWaalsContact O-N 3.12Å
414	M	95.1	Very high	92.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.1	-48.3	179.4	-64.1	-58.3	-74.6	0	0	112.1	M136 P137 L368 L371 L375 I410 T411 N416 A417 I418	M136-M414 HydrophobicContact CE-CE 4.03Å; M136-M414 HydrophobicContact SD-CE 3.63Å; P137-M414 HydrophobicContact CG-CB 4.14Å; L368-M414 HydrophobicContact CD2-CE 3.54Å; L371-M414 HydrophobicContact CD2-CE 4.16Å; L371-M414 HydrophobicContact CD2-SD 3.54Å; L371-M414 VanDerWaalsContact CD2-SD 3.54Å; L371-M414 HydrophobicContact CG-SD 3.73Å; L375-M414 HydrophobicContact CD1-CG 3.89Å; L375-M414 HydrophobicContact CD1-SD 3.6Å; L375-M414 VanDerWaalsContact CD1-SD 3.6Å; I410-M414 HydrophobicContact CG2-CG 4.36Å; I410-M414 WeakPolarHBondContact O-CG 3.46Å; I410-M414 PolarHBondContact O-N 3.34Å; T411-M414 PolarHBondContact O-N 3.36Å; M414-N416 PolarHBondContact O-N 3.03Å; M414-A417 PolarHBondContact O-N 3.28Å; M414-I418 WeakPolarHBondContact O-CG1 3.32Å; M414-I418 PolarHBondContact O-N 2.97Å; M414-I418 VanDerWaalsContact O-N 3.15Å
415	V	95.9	Very high	92.4	Very high	12 Å²	12	42.2 Å²	42.2	7%	0.073	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-42.3	-179.6	166.1	0	0	0	0	111.9	T108 P137 V171 T411 S419	T108-V415 HydrophobicContact CG2-CG2 4.09Å; P137-V415 HydrophobicContact CG-CG2 4.36Å; V171-V415 HydrophobicContact CG1-CB 4.42Å; V171-V415 HydrophobicContact CG1-CG1 3.71Å; T411-V415 WeakPolarHBondContact O-CB 3.38Å; T411-V415 VanDerWaalsContact O-CG2 3.31Å; T411-V415 WeakPolarHBondContact O-CG2 3.48Å; T411-V415 PolarHBondContact O-N 2.94Å; V415-S419 WeakPolarHBondContact O-CB 3.4Å; V415-S419 PolarHBondContact O-N 2.99Å; V415-S419 PolarHBondContact O-OG 2.74Å
416	N	95.1	Very high	91.9	Very high	71 Å²	71	50.3 Å²	50.3	38%	0.38	26%	0.262	S	S	.	.	H	α-helix	trans	-69.7	-42.3	-179.3	-69.7	-26.5	0	0	0	111.7	N412 M414 I418 S419 T420	N412-N416 WeakPolarHBondContact O-CB 3.24Å; N412-N416 PolarHBondContact O-N 2.92Å; N412-N416 PolarHBondContact O-ND2 3.07Å; M414-N416 PolarHBondContact O-N 3.03Å; N416-I418 PolarHBondContact O-N 2.87Å; N416-S419 WeakPolarHBondContact CA-OG 3.49Å; N416-S419 PolarHBondContact O-N 2.97Å; N416-S419 PolarHBondContact O-OG 3.47Å; N416-T420 WeakPolarHBondContact O-CB 3.37Å; N416-T420 WeakPolarHBondContact O-CG2 3.45Å; N416-T420 PolarHBondContact O-N 2.6Å; N416-T420 PolarHBondContact O-OG1 3.32Å
417	A	94.9	Very high	91.2	Very high	7 Å²	7	47.4 Å²	47.4	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-44.3	177.5	0	0	0	0	0	112	L371 G413 M414 G421	L371-A417 HydrophobicContact CD1-CB 4.18Å; L371-A417 HydrophobicContact CD2-CB 3.46Å; L371-A417 VanDerWaalsContact CD2-CB 3.46Å; L371-A417 HydrophobicContact CG-CB 4.5Å; G413-A417 WeakPolarHBondContact O-CB 3.34Å; G413-A417 PolarHBondContact O-N 2.87Å; G413-A417 VanDerWaalsContact O-N 3.12Å; M414-A417 PolarHBondContact O-N 3.28Å; A417-G421 VanDerWaalsContact O-CA 3.26Å; A417-G421 WeakPolarHBondContact O-CA 3.44Å; A417-G421 PolarHBondContact O-N 2.89Å
418	I	95.8	Very high	90.2	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-74.8	-35.2	-180	-60.8	170.6	0	0	0	112.1	P137 F169 V171 K176 L368 M414 N416 T436	P137-I418 HydrophobicContact CB-CD1 4.11Å; P137-I418 HydrophobicContact CG-CD1 4.08Å; F169-I418 HydrophobicContact CB-CG2 4.27Å; V171-I418 HydrophobicContact CG2-CB 4.22Å; V171-I418 HydrophobicContact CG2-CG2 3.66Å; K176-I418 HydrophobicContact CB-CG2 3.94Å; K176-I418 HydrophobicContact CG-CG2 4.47Å; L368-I418 HydrophobicContact CD2-CD1 4.09Å; L368-I418 HydrophobicContact CD2-CG1 4.46Å; M414-I418 WeakPolarHBondContact O-CG1 3.32Å; M414-I418 PolarHBondContact O-N 2.97Å; M414-I418 VanDerWaalsContact O-N 3.15Å; N416-I418 PolarHBondContact O-N 2.87Å; I418-T436 HydrophobicContact CG2-CG2 4.48Å; I418-T436 PolarHBondContact O-OG1 3.27Å
419	S	95.3	Very high	89.5	Confident	27 Å²	27	49.4 Å²	49.4	19%	0.189	25%	0.253	C	S	.	.	H	α-helix	trans	-74.5	-43.3	-177.8	58.9	0	0	0	0	112.9	K176 V415 N416	K176-S419 PolarHBondContact NZ-O 2.96Å; V415-S419 WeakPolarHBondContact O-CB 3.4Å; V415-S419 PolarHBondContact O-N 2.99Å; V415-S419 PolarHBondContact O-OG 2.74Å; N416-S419 WeakPolarHBondContact CA-OG 3.49Å; N416-S419 PolarHBondContact O-N 2.97Å; N416-S419 PolarHBondContact O-OG 3.47Å
420	T	93.9	Very high	88.8	Confident	84 Å²	84	48 Å²	48	52%	0.515	25%	0.247	S	C	.	.	H	α-helix	trans	-82.3	-29.8	179.4	64.1	0	0	0	0	112.7	N416 N422	N416-T420 WeakPolarHBondContact O-CB 3.37Å; N416-T420 WeakPolarHBondContact O-CG2 3.45Å; N416-T420 PolarHBondContact O-N 2.6Å; N416-T420 PolarHBondContact O-OG1 3.32Å; T420-N422 VanDerWaalsContact C-N 3.31Å; T420-N422 PolarHBondContact OG1-N 3.21Å
421	G	92.5	Very high	88.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.275	C	S	.	.			trans	78.5	12.6	-174.2	0	0	0	0	0	114.8	A417 G434 V435 T436	A417-G421 VanDerWaalsContact O-CA 3.26Å; A417-G421 WeakPolarHBondContact O-CA 3.44Å; A417-G421 PolarHBondContact O-N 2.89Å; G421-G434 PolarHBondContact O-N 2.75Å; G421-G434 VanDerWaalsContact O-N 3.15Å; G421-V435 PolarHBondContact O-N 3.07Å; G421-T436 WeakPolarHBondContact CA-OG1 3.19Å; G421-T436 PolarHBondContact N-OG1 3.07Å
422	N	91.4	Very high	87.9	Confident	66 Å²	66	53.7 Å²	53.7	35%	0.353	27%	0.274	S	S	.	.			trans	-100.6	120.9	179.8	-65.8	-13.5	0	0	0	110.4	T420 R432	T420-N422 VanDerWaalsContact C-N 3.31Å; T420-N422 PolarHBondContact OG1-N 3.21Å; N422-R432 WeakPolarHBondContact CA-O 3.29Å
423	W	90.1	Very high	87.6	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	81	-179.5	-66.5	68.3	0	0	0	108.6	I178 L367 L368 L371 L425 M430 R432 V435	I178-W423 HydrophobicContact CD1-CZ2 4.12Å; L367-W423 HydrophobicContact CB-CE3 4.48Å; L367-W423 HydrophobicContact CB-CH2 3.73Å; L367-W423 HydrophobicContact CB-CZ2 4.27Å; L367-W423 HydrophobicContact CB-CZ3 3.87Å; L367-W423 WeakPolarHBondContact O-CZ3 3.43Å; L368-W423 HydrophobicContact CD2-CH2 3.78Å; L368-W423 HydrophobicContact CD2-CZ2 4.49Å; L368-W423 HydrophobicContact CG-CH2 4.05Å; L371-W423 HydrophobicContact CB-CE3 3.8Å; L371-W423 HydrophobicContact CB-CH2 4.24Å; L371-W423 HydrophobicContact CB-CZ3 3.32Å; L371-W423 HydrophobicContact CD2-CE3 4.19Å; L371-W423 HydrophobicContact CD2-CH2 3.97Å; L371-W423 HydrophobicContact CD2-CZ3 3.71Å; L371-W423 HydrophobicContact CG-CE3 4.45Å; L371-W423 HydrophobicContact CG-CZ3 4.1Å; W423-L425 PolarHBondContact O-N 3.42Å; W423-M430 HydrophobicContact CB-CE 4.46Å; W423-R432 HydrophobicContact CB-CB 4.34Å; W423-R432 PolarHBondContact N-O 2.93Å; W423-R432 PolarHBondContact O-N 3.46Å; W423-R432 VanDerWaalsContact O-N 3.12Å; W423-V435 VanDerWaalsContact CD1-CB 3.48Å; W423-V435 HydrophobicContact CG-CB 4.46Å; W423-V435 HydrophobicContact CG-CG2 4.17Å
424	S	88.5	Confident	87.2	Confident	75 Å²	75	57.5 Å²	57.5	52%	0.524	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	77.8	-177.1	55.4	0	0	0	0	111.4	K426 M430 D431	S424-K426 PolarHBondContact O-N 2.93Å; S424-M430 CarbonylContact C-O 3.51Å; S424-D431 WeakPolarHBondContact CB-OD1 3.43Å
425	L	85.3	Confident	87.1	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	97.4	180	-53.7	-175.1	0	0	0	110	L370 L371 D374 W423 R427 F428 K429 M430	L370-L425 HydrophobicContact CB-CD1 3.91Å; L371-L425 HydrophobicContact CD1-CD2 3.82Å; D374-L425 HydrophobicContact CB-CD2 3.92Å; W423-L425 PolarHBondContact O-N 3.42Å; L425-R427 VanDerWaalsContact C-N 3.25Å; L425-R427 PolarHBondContact O-N 2.66Å; L425-F428 HydrophobicContact CB-CB 4.38Å; L425-F428 HydrophobicContact CB-CD2 4.04Å; L425-F428 HydrophobicContact CD1-CD2 3.81Å; L425-F428 HydrophobicContact CD1-CE2 4.39Å; L425-F428 PolarHBondContact O-N 3.43Å; L425-K429 PolarHBondContact O-N 3.35Å; L425-K429 VanDerWaalsContact O-N 3.13Å; L425-M430 HydrophobicContact CD1-CE 3.81Å; L425-M430 HydrophobicContact CG-CE 4.33Å; L425-M430 PolarHBondContact N-O 3.29Å; L425-M430 PolarHBondContact O-N 3.35Å; L425-M430 VanDerWaalsContact O-N 3.11Å
426	K	77.3	Confident	87	Confident	187 Å²	187	57.6 Å²	57.6	81%	0.813	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-39.2	179.3	-69	-173	179.3	-178.2	0	112.3	S424 K429	S424-K426 PolarHBondContact O-N 2.93Å; K426-K429 PolarHBondContact O-N 3Å
427	R	73.4	Confident	87	Confident	96 Å²	96	57.5 Å²	57.5	36%	0.362	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-44	-177.4	-174.9	168.7	173.6	-120.9	-9.7	112.6	E373 L425 K429	E373-R427 IonicContact OE1-CZ 3.08Å; E373-R427 IonicContact OE1-NH1 3.16Å; E373-R427 PolarHBondContact OE1-NH1 3.12Å; E373-R427 IonicContact OE1-NH2 2.83Å; L425-R427 VanDerWaalsContact C-N 3.25Å; L425-R427 PolarHBondContact O-N 2.66Å; R427-K429 VanDerWaalsContact C-N 3.26Å; R427-K429 PolarHBondContact O-N 2.8Å
428	F	69.2	Low	87.1	Confident	38 Å²	38	60.9 Å²	60.9	17%	0.167	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	3	178.8	-60.2	-68.1	0	0	0	113.2	L370 L425 M430	L370-F428 HydrophobicContact CB-CE2 4.34Å; L370-F428 HydrophobicContact CD2-CE1 4.3Å; L370-F428 HydrophobicContact CD2-CE2 4.14Å; L370-F428 HydrophobicContact CD2-CZ 3.99Å; L425-F428 HydrophobicContact CB-CB 4.38Å; L425-F428 HydrophobicContact CB-CD2 4.04Å; L425-F428 HydrophobicContact CD1-CD2 3.81Å; L425-F428 HydrophobicContact CD1-CE2 4.39Å; L425-F428 PolarHBondContact O-N 3.43Å; F428-M430 HydrophobicContact CB-CB 4.31Å; F428-M430 PolarHBondContact O-N 3.22Å
429	K	74.9	Confident	87.1	Confident	192 Å²	192	61.2 Å²	61.2	84%	0.835	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	42	-173.1	-60.3	-176.8	179.8	-179.1	0	111.8	L425 K426 R427	L425-K429 PolarHBondContact O-N 3.35Å; L425-K429 VanDerWaalsContact O-N 3.13Å; K426-K429 PolarHBondContact O-N 3Å; R427-K429 VanDerWaalsContact C-N 3.26Å; R427-K429 PolarHBondContact O-N 2.8Å
430	M	77.3	Confident	87	Confident	24 Å²	24	61.5 Å²	61.5	12%	0.118	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.6	-177.6	-173.7	172.7	79.3	0	0	108.4	L370 W423 S424 L425 F428 R432	L370-M430 HydrophobicContact CD1-CE 4.43Å; W423-M430 HydrophobicContact CB-CE 4.46Å; S424-M430 CarbonylContact C-O 3.51Å; L425-M430 HydrophobicContact CD1-CE 3.81Å; L425-M430 HydrophobicContact CG-CE 4.33Å; L425-M430 PolarHBondContact N-O 3.29Å; L425-M430 PolarHBondContact O-N 3.35Å; L425-M430 VanDerWaalsContact O-N 3.11Å; F428-M430 HydrophobicContact CB-CB 4.31Å; F428-M430 PolarHBondContact O-N 3.22Å; M430-R432 HydrophobicContact CG-CG 3.79Å; M430-R432 HydrophobicContact SD-CG 4.22Å; M430-R432 PolarHBondContact SD-NE 3.42Å; M430-R432 VanDerWaalsContact SD-NE 3.43Å
431	D	86.3	Confident	87	Confident	108 Å²	108	58.8 Å²	58.8	58%	0.578	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	79.4	173.6	-170.5	30.6	0	0	0	108.7	S424	S424-D431 WeakPolarHBondContact CB-OD1 3.43Å
432	R	85.1	Confident	87.1	Confident	37 Å²	37	60 Å²	60	14%	0.14	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.9	180	-70.6	179.5	-178.6	158.8	6.6	109.9	E362 N422 W423 M430 V435	E362-R432 IonicContact OE2-NH1 3.17Å; E362-R432 PolarHBondContact OE2-NH1 2.81Å; N422-R432 WeakPolarHBondContact CA-O 3.29Å; W423-R432 HydrophobicContact CB-CB 4.34Å; W423-R432 PolarHBondContact N-O 2.93Å; W423-R432 PolarHBondContact O-N 3.46Å; W423-R432 VanDerWaalsContact O-N 3.12Å; M430-R432 HydrophobicContact CG-CG 3.79Å; M430-R432 HydrophobicContact SD-CG 4.22Å; M430-R432 PolarHBondContact SD-NE 3.42Å; M430-R432 VanDerWaalsContact SD-NE 3.43Å; R432-V435 HydrophobicContact CB-CG2 3.64Å
433	Q	87.4	Confident	87.2	Confident	136 Å²	136	56.8 Å²	56.8	64%	0.636	29%	0.286	S	S	*	.			trans	-118.4	151.2	176.1	-59.8	-176.5	6.5	0	0	110	V435	Q433-V435 VanDerWaalsContact C-N 3.29Å; Q433-V435 PolarHBondContact O-N 3Å
434	G	86.9	Confident	87.5	Confident	42 Å²	42	57.5 Å²	57.5	43%	0.433	29%	0.289	S	S	.	.	S	Bend	trans	70.9	21.3	177.1	0	0	0	0	0	114.9	G421 T436	G421-G434 PolarHBondContact O-N 2.75Å; G421-G434 VanDerWaalsContact O-N 3.15Å; G434-T436 VanDerWaalsContact C-N 3.31Å
435	V	91.9	Very high	87.8	Confident	2 Å²	2	54 Å²	54	1%	0.012	26%	0.264	C	S	.	.			trans	-65.9	-36.7	178.2	176.8	0	0	0	0	111.2	I178 L179 L367 G421 W423 R432 Q433	I178-V435 HydrophobicContact CG2-CG1 4.02Å; L179-V435 PolarHBondContact N-O 3.13Å; L367-V435 HydrophobicContact CD1-CG1 3.87Å; G421-V435 PolarHBondContact O-N 3.07Å; W423-V435 VanDerWaalsContact CD1-CB 3.48Å; W423-V435 HydrophobicContact CG-CB 4.46Å; W423-V435 HydrophobicContact CG-CG2 4.17Å; R432-V435 HydrophobicContact CB-CG2 3.64Å; Q433-V435 VanDerWaalsContact C-N 3.29Å; Q433-V435 PolarHBondContact O-N 3Å
436	T	94.9	Very high	88.3	Confident	11 Å²	11	54 Å²	54	7%	0.067	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	142.5	177.1	66.8	0	0	0	0	111.6	V177 I178 I418 G421 G434	V177-T436 CarbonylContact O-C 3.59Å; V177-T436 WeakPolarHBondContact O-CA 3.31Å; I178-T436 HydrophobicContact CG1-CG2 3.91Å; I418-T436 HydrophobicContact CG2-CG2 4.48Å; I418-T436 PolarHBondContact O-OG1 3.27Å; G421-T436 WeakPolarHBondContact CA-OG1 3.19Å; G421-T436 PolarHBondContact N-OG1 3.07Å; G434-T436 VanDerWaalsContact C-N 3.31Å
437	Q	94.6	Very high	89.2	Confident	70 Å²	70	45 Å²	45	33%	0.327	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	156.7	174.3	-67.1	-174.6	0.3	0	0	111	K176 V177 L179 M450	K176-Q437 WeakPolarHBondContact CA-O 3.37Å; V177-Q437 PolarHBondContact N-O 2.88Å; V177-Q437 PolarHBondContact O-N 3.44Å; L179-Q437 VanDerWaalsContact CD1-CD 3.5Å; L179-Q437 HydrophobicContact CD1-CG 3.98Å; L179-Q437 HydrophobicContact CG-CG 4.39Å; Q437-M450 HydrophobicContact CB-CE 3.28Å; Q437-M450 HydrophobicContact CG-CE 4.26Å
438	V	96.2	Very high	90.2	Very high	77 Å²	77	40.7 Å²	40.7	47%	0.467	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.7	172.7	179.7	0	0	0	0	108.8	E175 K176 S440 M450	E175-V438 WeakPolarHBondContact O-CA 3.41Å; K176-V438 HydrophobicContact CD-CG2 4.12Å; V438-S440 PolarHBondContact O-N 3.11Å; V438-M450 WeakPolarHBondContact O-CE 3.26Å
439	L	95.8	Very high	91.4	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.042	20%	0.201	C	C	.	.			trans	-61.9	126	177.7	-177.3	60	0	0	0	110.2	Y168 E175 V177 R441 A447 M450 M451	Y168-L439 HydrophobicContact CD1-CD2 3.85Å; Y168-L439 HydrophobicContact CD2-CD2 4.46Å; Y168-L439 HydrophobicContact CE1-CD2 3.89Å; Y168-L439 HydrophobicContact CE2-CD2 4.48Å; Y168-L439 HydrophobicContact CG-CD2 4.15Å; E175-L439 HydrophobicContact CB-CB 3.93Å; E175-L439 HydrophobicContact CB-CD2 4.49Å; E175-L439 PolarHBondContact O-N 2.82Å; V177-L439 HydrophobicContact CG2-CB 3.99Å; V177-L439 HydrophobicContact CG2-CD1 3.77Å; V177-L439 HydrophobicContact CG2-CG 4.36Å; L439-R441 PolarHBondContact O-N 2.81Å; L439-A447 HydrophobicContact CD1-CB 4.23Å; L439-M450 HydrophobicContact CD1-CB 3.79Å; L439-M450 HydrophobicContact CD1-CG 4.05Å; L439-M451 HydrophobicContact CD1-SD 4.12Å
440	S	94.3	Very high	92.4	Very high	34 Å²	34	30 Å²	30	24%	0.238	16%	0.163	C	C	.	.			trans	-80.5	109.2	178	178.8	0	0	0	0	110.7	V438 S446 A447	V438-S440 PolarHBondContact O-N 3.11Å; S440-S446 WeakPolarHBondContact CB-OG 3.43Å; S440-S446 CarbonylContact O-C 3.41Å; S440-S446 WeakPolarHBondContact O-CB 3.42Å; S440-S446 PolarHBondContact O-OG 3Å; S440-S446 PolarHBondContact OG-OG 2.69Å; S440-A447 PolarHBondContact O-N 2.88Å
441	R	94.1	Very high	93.2	Very high	26 Å²	26	28.9 Å²	28.9	10%	0.098	16%	0.158	C	C	.	.			trans	-98.3	37.4	178.6	-68.5	-68	-169.6	178.9	1.6	113.3	D164 Y168 E175 L439 I696	D164-R441 VanDerWaalsContact CG-NH2 3.3Å; D164-R441 IonicContact OD1-CZ 2.67Å; D164-R441 VanDerWaalsContact OD1-CZ 3.27Å; D164-R441 IonicContact OD1-NH1 3.97Å; D164-R441 PolarHBondContact OD1-NH1 2.78Å; D164-R441 IonicContact OD1-NH2 3.09Å; D164-R441 PolarHBondContact OD1-NH2 3.38Å; D164-R441 IonicContact OD2-NH2 2.65Å; D164-R441 PolarHBondContact OD2-NH2 3.12Å; Y168-R441 PolarHBondContact OH-NH2 3.06Å; E175-R441 IonicContact OE1-NH2 3.54Å; E175-R441 IonicContact OE2-CZ 3.16Å; E175-R441 IonicContact OE2-NE 2.76Å; E175-R441 PolarHBondContact OE2-NE 3.13Å; E175-R441 IonicContact OE2-NH2 3.87Å; L439-R441 PolarHBondContact O-N 2.81Å; R441-I696 HydrophobicContact CB-CG2 4.49Å; R441-I696 VanDerWaalsContact O-CD1 3.24Å; R441-I696 WeakPolarHBondContact O-CD1 3.36Å
442	L	94.3	Very high	93.6	Very high	25 Å²	25	24.1 Å²	24.1	13%	0.131	13%	0.132	C	C	.	.	S	Bend	trans	-70	-40.1	175.7	-66.3	173.2	0	0	0	112.1	Y709 K1012	L442-Y709 HydrophobicContact CD2-CD2 3.75Å; L442-Y709 HydrophobicContact CD2-CE2 4.04Å; L442-K1012 HydrophobicContact CD1-CD 3.85Å; L442-K1012 HydrophobicContact CD2-CD 4.07Å
443	S	94.3	Very high	94.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-151.3	167.6	176.8	67	0	0	0	0	109.6	I445 S446 A447 A692	S443-I445 VanDerWaalsContact C-N 3.26Å; S443-I445 PolarHBondContact O-N 3.44Å; S443-S446 WeakPolarHBondContact O-CB 3.37Å; S443-S446 PolarHBondContact O-N 3Å; S443-S446 VanDerWaalsContact O-N 3.16Å; S443-S446 PolarHBondContact OG-N 3.28Å; S443-S446 VanDerWaalsContact OG-N 3.1Å; S443-A447 PolarHBondContact O-N 3.36Å; S443-A692 WeakPolarHBondContact CB-O 3.39Å
444	Y	95.8	Very high	94.4	Very high	16 Å²	16	17.9 Å²	17.9	6%	0.063	10%	0.103	C	C	.	.	H	α-helix	trans	-52.1	-46.1	171.2	-179.7	-106.9	0	0	0	112.4	L163 S446 A447 L448 I727 F729 L732	L163-Y444 HydrophobicContact CB-CE2 4.22Å; L163-Y444 VanDerWaalsContact O-CE2 3.27Å; L163-Y444 WeakPolarHBondContact O-CE2 3.37Å; L163-Y444 PolarHBondContact O-OH 3.08Å; Y444-S446 VanDerWaalsContact C-N 3.35Å; Y444-S446 PolarHBondContact O-N 3.42Å; Y444-A447 WeakPolarHBondContact O-CB 3.4Å; Y444-A447 PolarHBondContact O-N 3.01Å; Y444-L448 HydrophobicContact CE1-CD2 4.26Å; Y444-L448 PolarHBondContact O-N 3.06Å; Y444-L448 VanDerWaalsContact O-N 3.14Å; Y444-I727 VanDerWaalsContact CE1-O 3.22Å; Y444-I727 WeakPolarHBondContact CE1-O 2.92Å; Y444-I727 PolarHBondContact OH-O 2.87Å; Y444-F729 HydrophobicContact CD1-CD2 4.4Å; Y444-L732 HydrophobicContact CD2-CD1 3.88Å; Y444-L732 HydrophobicContact CE2-CD1 4.36Å; Y444-L732 HydrophobicContact CG-CB 4.48Å; Y444-L732 HydrophobicContact CG-CD1 4.28Å
445	I	95.7	Very high	94.7	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-64.7	-37.8	178.6	-63.5	-60.9	0	0	0	112.1	S443 A447 L448 G449 C667 L670 K690 I727 F729	S443-I445 VanDerWaalsContact C-N 3.26Å; S443-I445 PolarHBondContact O-N 3.44Å; I445-A447 VanDerWaalsContact C-N 3.25Å; I445-A447 PolarHBondContact O-N 2.88Å; I445-L448 PolarHBondContact O-N 3.42Å; I445-G449 PolarHBondContact O-N 3.37Å; I445-C667 HydrophobicContact CG2-CB 4.39Å; I445-L670 HydrophobicContact CB-CD1 4.33Å; I445-L670 HydrophobicContact CD1-CD1 4.06Å; I445-L670 HydrophobicContact CD1-CD2 3.9Å; I445-L670 HydrophobicContact CD1-CG 4.44Å; I445-L670 HydrophobicContact CG1-CD1 3.8Å; I445-L670 HydrophobicContact CG1-CD2 4.34Å; I445-L670 HydrophobicContact CG2-CD1 3.74Å; I445-K690 HydrophobicContact CG2-CG 4.5Å; I445-I727 HydrophobicContact CD1-CD1 3.6Å; I445-F729 HydrophobicContact CD1-CB 4.27Å; I445-F729 HydrophobicContact CD1-CD2 3.58Å; I445-F729 HydrophobicContact CD1-CE2 4.16Å; I445-F729 HydrophobicContact CD1-CG 4.08Å; I445-F729 HydrophobicContact CG1-CD2 3.44Å; I445-F729 VanDerWaalsContact CG1-CD2 3.44Å; I445-F729 HydrophobicContact CG1-CE2 3.5Å; I445-F729 VanDerWaalsContact CG1-CE2 3.5Å; I445-F729 HydrophobicContact CG1-CG 4.33Å; I445-F729 HydrophobicContact CG1-CZ 4.44Å
446	S	95.7	Very high	94.5	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.021	9%	0.094	C	C	.	.	H	α-helix	trans	-62.3	-35.8	176.5	-174.3	0	0	0	0	112.3	S440 S443 Y444 M450 K690	S440-S446 WeakPolarHBondContact CB-OG 3.43Å; S440-S446 CarbonylContact O-C 3.41Å; S440-S446 WeakPolarHBondContact O-CB 3.42Å; S440-S446 PolarHBondContact O-OG 3Å; S440-S446 PolarHBondContact OG-OG 2.69Å; S443-S446 WeakPolarHBondContact O-CB 3.37Å; S443-S446 PolarHBondContact O-N 3Å; S443-S446 VanDerWaalsContact O-N 3.16Å; S443-S446 PolarHBondContact OG-N 3.28Å; S443-S446 VanDerWaalsContact OG-N 3.1Å; Y444-S446 VanDerWaalsContact C-N 3.35Å; Y444-S446 PolarHBondContact O-N 3.42Å; S446-M450 PolarHBondContact O-N 3.25Å; S446-K690 VanDerWaalsContact CB-O 3.3Å; S446-K690 WeakPolarHBondContact CB-O 3.34Å
447	A	95.2	Very high	93.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.7	-49.8	177.2	0	0	0	0	0	109.9	L439 S440 S443 Y444 I445 G449 M450 M451	L439-A447 HydrophobicContact CD1-CB 4.23Å; S440-A447 PolarHBondContact O-N 2.88Å; S443-A447 PolarHBondContact O-N 3.36Å; Y444-A447 WeakPolarHBondContact O-CB 3.4Å; Y444-A447 PolarHBondContact O-N 3.01Å; I445-A447 VanDerWaalsContact C-N 3.25Å; I445-A447 PolarHBondContact O-N 2.88Å; A447-G449 PolarHBondContact O-N 3.04Å; A447-M450 WeakPolarHBondContact O-CB 3.06Å; A447-M450 PolarHBondContact O-N 2.97Å; A447-M450 VanDerWaalsContact O-N 3.11Å; A447-M451 WeakPolarHBondContact O-CG 3.38Å; A447-M451 PolarHBondContact O-N 2.78Å
448	L	94.6	Very high	92.8	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-63.9	-43.9	-178.5	-168.2	52	0	0	0	112.6	L39 V40 P165 Y444 I445 M450 M451 T452 V666 I727	L39-L448 HydrophobicContact CB-CD1 4.5Å; L39-L448 HydrophobicContact CD1-CD2 4.36Å; V40-L448 HydrophobicContact CG2-CD1 3.68Å; P165-L448 HydrophobicContact CB-CD1 4.12Å; Y444-L448 HydrophobicContact CE1-CD2 4.26Å; Y444-L448 PolarHBondContact O-N 3.06Å; Y444-L448 VanDerWaalsContact O-N 3.14Å; I445-L448 PolarHBondContact O-N 3.42Å; L448-M450 PolarHBondContact O-N 3.01Å; L448-M451 WeakPolarHBondContact O-CB 3.38Å; L448-M451 PolarHBondContact O-N 2.76Å; L448-T452 PolarHBondContact O-N 3.39Å; L448-V666 HydrophobicContact CB-CG1 4.48Å; L448-V666 HydrophobicContact CD2-CG1 3.56Å; L448-V666 HydrophobicContact CD2-CG2 4.45Å; L448-V666 HydrophobicContact CG-CG1 3.84Å; L448-V666 HydrophobicContact CG-CG2 4.44Å; L448-I727 HydrophobicContact CD2-CB 4.19Å; L448-I727 HydrophobicContact CD2-CG2 4.38Å
449	G	93.8	Very high	91.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-71.2	-6.4	175.1	0	0	0	0	0	115	I445 A447 N494	I445-G449 PolarHBondContact O-N 3.37Å; A447-G449 PolarHBondContact O-N 3.04Å; G449-N494 PolarHBondContact O-OD1 3.34Å
450	M	95.5	Very high	90.5	Very high	7 Å²	7	29.4 Å²	29.4	3%	0.034	14%	0.141	C	C	.	.	H	α-helix	trans	-85.2	-33.5	166.7	-163.9	106	176.8	0	0	111	V177 Q437 V438 L439 S446 A447 L448 R453	V177-M450 HydrophobicContact CG2-CG 4.47Å; Q437-M450 HydrophobicContact CB-CE 3.28Å; Q437-M450 HydrophobicContact CG-CE 4.26Å; V438-M450 WeakPolarHBondContact O-CE 3.26Å; L439-M450 HydrophobicContact CD1-CB 3.79Å; L439-M450 HydrophobicContact CD1-CG 4.05Å; S446-M450 PolarHBondContact O-N 3.25Å; A447-M450 WeakPolarHBondContact O-CB 3.06Å; A447-M450 PolarHBondContact O-N 2.97Å; A447-M450 VanDerWaalsContact O-N 3.11Å; L448-M450 PolarHBondContact O-N 3.01Å; M450-R453 WeakPolarHBondContact O-CB 3.49Å
451	M	94.6	Very high	89.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-70.7	-36.4	-177.5	-59.8	-46.9	-59.5	0	0	112.6	V40 H43 P165 G166 G167 V177 L439 A447 L448 R453	V40-M451 HydrophobicContact CG1-CB 3.96Å; V40-M451 HydrophobicContact CG1-CE 3.77Å; V40-M451 HydrophobicContact CG1-CG 4.15Å; V40-M451 HydrophobicContact CG2-CB 3.94Å; V40-M451 HydrophobicContact CG2-CG 4.31Å; H43-M451 PolarHBondContact CD2-O 2.94Å; H43-M451 PolarHBondContact NE2-O 3.36Å; P165-M451 HydrophobicContact CB-CG 4.19Å; P165-M451 HydrophobicContact CG-CG 4.22Å; G166-M451 WeakPolarHBondContact O-CE 3.2Å; G167-M451 VanDerWaalsContact C-CE 3.45Å; G167-M451 WeakPolarHBondContact O-CE 3.33Å; V177-M451 HydrophobicContact CG1-CE 4.06Å; V177-M451 HydrophobicContact CG1-SD 4.01Å; V177-M451 HydrophobicContact CG2-CE 4.41Å; V177-M451 HydrophobicContact CG2-SD 3.68Å; L439-M451 HydrophobicContact CD1-SD 4.12Å; A447-M451 WeakPolarHBondContact O-CG 3.38Å; A447-M451 PolarHBondContact O-N 2.78Å; L448-M451 WeakPolarHBondContact O-CB 3.38Å; L448-M451 PolarHBondContact O-N 2.76Å; M451-R453 VanDerWaalsContact C-N 3.27Å; M451-R453 PolarHBondContact O-N 3.45Å
452	T	94.6	Very high	88.1	Confident	7 Å²	7	39.1 Å²	39.1	4%	0.043	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	7.7	-178.2	56.9	0	0	0	0	113.8	L448 N494 L495	L448-T452 PolarHBondContact O-N 3.39Å; T452-N494 WeakPolarHBondContact O-CA 3.48Å; T452-L495 PolarHBondContact O-N 3.3Å; T452-L495 VanDerWaalsContact O-N 3.09Å
453	R	95.6	Very high	87.4	Confident	42 Å²	42	47.9 Å²	47.9	16%	0.158	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	134.9	-171.5	-172.4	-178.5	-64.5	168.5	8.2	112	L179 I180 M450 M451 V492 K493	L179-R453 HydrophobicContact CD2-CB 4.27Å; L179-R453 HydrophobicContact CD2-CG 4.48Å; I180-R453 PolarHBondContact N-O 3.22Å; M450-R453 WeakPolarHBondContact O-CB 3.49Å; M451-R453 VanDerWaalsContact C-N 3.27Å; M451-R453 PolarHBondContact O-N 3.45Å; R453-V492 VanDerWaalsContact CD-CG1 3.49Å; R453-V492 HydrophobicContact CG-CG1 3.55Å; R453-K493 WeakPolarHBondContact CA-O 3.36Å
454	I	94.9	Very high	86.9	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135.1	173.8	-61.5	160.3	0	0	0	108.9	I180 E182 L361 L478 V492 K493 L495	I180-I454 HydrophobicContact CB-CG1 4.05Å; I180-I454 HydrophobicContact CD1-CG1 4.37Å; I180-I454 HydrophobicContact CG2-CG1 4.06Å; I180-I454 WeakPolarHBondContact O-CA 3.48Å; E182-I454 HydrophobicContact CB-CG2 3.9Å; L361-I454 HydrophobicContact CD1-CD1 3.71Å; L361-I454 HydrophobicContact CD1-CG1 4.24Å; L361-I454 HydrophobicContact CD2-CD1 4.34Å; L361-I454 HydrophobicContact CD2-CG2 3.9Å; I454-L478 HydrophobicContact CD1-CD2 3.39Å; I454-V492 WeakPolarHBondContact O-CA 3.36Å; I454-K493 PolarHBondContact N-O 2.98Å; I454-K493 PolarHBondContact O-N 2.91Å; I454-L495 HydrophobicContact CD1-CD2 3.66Å; I454-L495 HydrophobicContact CD1-CG 3.82Å; I454-L495 HydrophobicContact CG1-CG 4.42Å
455	S	92.6	Very high	86.3	Confident	27 Å²	27	55.1 Å²	55.1	19%	0.189	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.4	173.5	-170.7	0	0	0	0	109.7	I180 E182	I180-S455 PolarHBondContact O-N 3.08Å; E182-S455 PolarHBondContact N-O 3.01Å
456	S	88.3	Confident	85.8	Confident	9 Å²	9	56.9 Å²	56.9	6%	0.063	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	154	169.3	-54.4	0	0	0	0	111.6	E182 F458 L491 K493	E182-S456 PolarHBondContact OE2-OG 3.32Å; S456-F458 VanDerWaalsContact C-N 3.33Å; S456-F458 PolarHBondContact O-N 3.08Å; S456-L491 WeakPolarHBondContact CB-O 3.34Å; S456-L491 PolarHBondContact N-O 2.81Å; S456-L491 PolarHBondContact OG-O 2.85Å; S456-L491 VanDerWaalsContact OG-O 3.09Å; S456-K493 PolarHBondContact OG-NZ 3.02Å
457	Q	78.8	Confident	85.4	Confident	99 Å²	99	57.4 Å²	57.4	46%	0.463	29%	0.292	S	S	.	.	S	Bend	trans	-74.8	-16.3	178.9	-82.9	179.7	8	0	0	114.8	E182	E182-Q457 VanDerWaalsContact O-CG 3.31Å; E182-Q457 WeakPolarHBondContact O-CG 3.35Å
458	F	75	Confident	85.2	Confident	107 Å²	107	59.8 Å²	59.8	47%	0.469	30%	0.302	S	S	.	.	S	Bend	trans	-65.7	139.7	-175.3	-71.4	-80.6	0	0	0	112.2	S456 K460 P467 L491	S456-F458 VanDerWaalsContact C-N 3.33Å; S456-F458 PolarHBondContact O-N 3.08Å; F458-K460 PolarHBondContact O-N 3.01Å; F458-P467 HydrophobicContact CD2-CB 3.92Å; F458-P467 HydrophobicContact CD2-CG 4.09Å; F458-P467 HydrophobicContact CE2-CB 3.66Å; F458-P467 HydrophobicContact CE2-CG 4.01Å; F458-P467 HydrophobicContact CG-CG 4.39Å; F458-P467 HydrophobicContact CZ-CB 4.23Å; F458-P467 HydrophobicContact CZ-CG 4.23Å; F458-L491 HydrophobicContact CB-CD2 4.07Å
459	E	69.3	Low	85.1	Confident	114 Å²	114	63.2 Å²	63.2	53%	0.533	33%	0.326	S	S	.	.			trans	-62.2	125.3	172	-70	175.5	166.6	0	0	110.3	T461 R462	E459-T461 PolarHBondContact O-N 2.98Å; E459-T461 VanDerWaalsContact O-N 3.13Å; E459-R462 PolarHBondContact O-N 3.49Å; E459-R462 VanDerWaalsContact O-N 3.14Å; E459-R462 IonicContact OE2-CZ 2.9Å; E459-R462 IonicContact OE2-NE 3.27Å; E459-R462 PolarHBondContact OE2-NE 3.34Å; E459-R462 IonicContact OE2-NH2 3.84Å
460	K	74	Confident	85.1	Confident	97 Å²	97	68.3 Å²	68.3	42%	0.422	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-27	-178.7	-60.7	179.8	-177.2	176.2	0	113.5	F458 R462 R468 E487 L491	F458-K460 PolarHBondContact O-N 3.01Å; K460-R462 VanDerWaalsContact C-N 3.28Å; K460-R462 PolarHBondContact O-N 3.23Å; K460-R468 PolarHBondContact O-NH2 3.07Å; K460-E487 WeakPolarHBondContact CD-OE1 3.39Å; K460-E487 IonicContact NZ-OE1 3.76Å; K460-L491 HydrophobicContact CG-CD1 4.34Å
461	T	64.6	Low	85	Confident	114 Å²	114	69.6 Å²	69.6	70%	0.699	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.5	-178.4	52.2	0	0	0	0	112.8	E459 K463	E459-T461 PolarHBondContact O-N 2.98Å; E459-T461 VanDerWaalsContact O-N 3.13Å; T461-K463 PolarHBondContact O-N 2.95Å
462	R	73.5	Confident	85.1	Confident	150 Å²	150	75.5 Å²	75.5	57%	0.566	40%	0.397	S	S	*	.			trans	-79.4	123.7	177.7	-67.3	-173.7	-173.2	-163.9	-2.6	110.5	E459 K460 V464 R468	E459-R462 PolarHBondContact O-N 3.49Å; E459-R462 VanDerWaalsContact O-N 3.14Å; E459-R462 IonicContact OE2-CZ 2.9Å; E459-R462 IonicContact OE2-NE 3.27Å; E459-R462 PolarHBondContact OE2-NE 3.34Å; E459-R462 IonicContact OE2-NH2 3.84Å; K460-R462 VanDerWaalsContact C-N 3.28Å; K460-R462 PolarHBondContact O-N 3.23Å; R462-V464 VanDerWaalsContact C-N 3.26Å; R462-V464 HydrophobicContact CB-CG2 4.37Å; R462-V464 PolarHBondContact O-N 3.04Å; R462-R468 PolarHBondContact O-NH2 3.34Å; R462-R468 VanDerWaalsContact O-NH2 3.07Å
463	K	79.2	Confident	85.1	Confident	208 Å²	208	75.7 Å²	75.7	90%	0.904	40%	0.399	S	S	*	.			trans	-88.3	52.5	177.3	-62	-175	180	-179.2	0	111.7	T461	T461-K463 PolarHBondContact O-N 2.95Å
464	V	82.9	Confident	85.1	Confident	82 Å²	82	74.2 Å²	74.2	50%	0.497	39%	0.394	S	S	.	.			trans	-91.4	126.7	173.5	-173.7	0	0	0	0	108.5	R462 R468	R462-V464 VanDerWaalsContact C-N 3.26Å; R462-V464 HydrophobicContact CB-CG2 4.37Å; R462-V464 PolarHBondContact O-N 3.04Å; V464-R468 VanDerWaalsContact O-CD 3.23Å; V464-R468 WeakPolarHBondContact O-CD 3.23Å; V464-R468 WeakPolarHBondContact O-CG 3.46Å; V464-R468 PolarHBondContact O-NE 3.23Å
465	S	84.7	Confident	85.2	Confident	87 Å²	87	79.1 Å²	79.1	61%	0.608	41%	0.412	S	S	*	.	S	Bend	trans	-77.5	-32.7	-178	49.6	0	0	0	0	113.4	R468 S469	S465-R468 WeakPolarHBondContact O-CB 3.29Å; S465-R468 PolarHBondContact O-N 3.14Å; S465-S469 PolarHBondContact O-N 3.49Å; S465-S469 PolarHBondContact O-OG 2.91Å
466	G	85.2	Confident	85.2	Confident	37 Å²	37	77.8 Å²	77.8	38%	0.381	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-42.8	-67.5	-176.4	0	0	0	0	0	114.7	R468 S469	G466-R468 PolarHBondContact O-N 2.96Å; G466-R468 VanDerWaalsContact O-N 3.17Å; G466-S469 PolarHBondContact O-N 2.96Å
467	P	86.8	Confident	85.6	Confident	14 Å²	14	77.4 Å²	77.4	9%	0.091	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-73.3	-8.4	-177.1	29.3	-36.3	0	0	0	114.1	D354 F458	D354-P467 WeakPolarHBondContact OD1-CB 3.2Å; D354-P467 VanDerWaalsContact OD2-CA 3.29Å; D354-P467 WeakPolarHBondContact OD2-CA 3.46Å; F458-P467 HydrophobicContact CD2-CB 3.92Å; F458-P467 HydrophobicContact CD2-CG 4.09Å; F458-P467 HydrophobicContact CE2-CB 3.66Å; F458-P467 HydrophobicContact CE2-CG 4.01Å; F458-P467 HydrophobicContact CG-CG 4.39Å; F458-P467 HydrophobicContact CZ-CB 4.23Å; F458-P467 HydrophobicContact CZ-CG 4.23Å
468	R	90.9	Very high	86.4	Confident	51 Å²	51	72.7 Å²	72.7	19%	0.192	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-89.8	-26.1	179.2	-64	-179.9	178.5	-94.8	7.5	112.3	K460 R462 V464 S465 G466 E487 C489 G490 L491	K460-R468 PolarHBondContact O-NH2 3.07Å; R462-R468 PolarHBondContact O-NH2 3.34Å; R462-R468 VanDerWaalsContact O-NH2 3.07Å; V464-R468 VanDerWaalsContact O-CD 3.23Å; V464-R468 WeakPolarHBondContact O-CD 3.23Å; V464-R468 WeakPolarHBondContact O-CG 3.46Å; V464-R468 PolarHBondContact O-NE 3.23Å; S465-R468 WeakPolarHBondContact O-CB 3.29Å; S465-R468 PolarHBondContact O-N 3.14Å; G466-R468 PolarHBondContact O-N 2.96Å; G466-R468 VanDerWaalsContact O-N 3.17Å; R468-E487 PolarHBondContact NH1-O 3.26Å; R468-E487 PolarHBondContact NH2-O 2.93Å; R468-C489 PolarHBondContact NH1-O 3.27Å; R468-G490 WeakPolarHBondContact O-CA 3.45Å; R468-L491 HydrophobicContact CG-CD2 4.03Å; R468-L491 HydrophobicContact CG-CG 4.21Å
469	S	92.3	Very high	87.5	Confident	76 Å²	76	68 Å²	68	53%	0.531	36%	0.358	S	S	.	.	S	Bend	trans	-67.9	147.8	177.3	-68.1	0	0	0	0	111.1	S465 G466 Q471	S465-S469 PolarHBondContact O-N 3.49Å; S465-S469 PolarHBondContact O-OG 2.91Å; G466-S469 PolarHBondContact O-N 2.96Å; S469-Q471 PolarHBondContact O-N 2.96Å
470	L	93.8	Very high	88.8	Confident	107 Å²	107	64.4 Å²	64.4	56%	0.56	35%	0.345	S	S	*	.			trans	-74.9	114.8	175.5	-169.8	80.9	0	0	0	109.1	Q474 P480	L470-Q474 HydrophobicContact CD1-CG 4.41Å; L470-P480 HydrophobicContact CD1-CB 4.29Å; L470-P480 HydrophobicContact CD2-CB 3.76Å
471	Q	94.4	Very high	89.9	Confident	33 Å²	33	60.3 Å²	60.3	15%	0.154	33%	0.328	C	S	.	.			trans	-82.6	149.4	173.9	-62.2	-152	-33.1	0	0	113.3	D352 D354 Y355 S469 S473 Q474	D352-Q471 PolarHBondContact OD2-NE2 3.19Å; D354-Q471 VanDerWaalsContact C-CD 3.46Å; D354-Q471 HydrophobicContact CB-CG 4.46Å; D354-Q471 PolarHBondContact O-OE1 3.32Å; Y355-Q471 VanDerWaalsContact CA-OE1 3.25Å; Y355-Q471 VanDerWaalsContact N-OE1 3.09Å; S469-Q471 PolarHBondContact O-N 2.96Å; Q471-S473 VanDerWaalsContact C-N 3.27Å; Q471-S473 WeakPolarHBondContact CB-OG 3.08Å; Q471-S473 PolarHBondContact O-N 2.89Å; Q471-S473 PolarHBondContact OE1-OG 3.3Å; Q471-Q474 WeakPolarHBondContact O-CG 3.45Å; Q471-Q474 PolarHBondContact O-NE2 2.9Å
472	P	96	Very high	91.4	Very high	124 Å²	124	55 Å²	55	81%	0.805	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-64.7	-28.4	171.9	-23.7	35.2	0	0	0	114	Q474 W475	P472-Q474 PolarHBondContact O-N 3.23Å; P472-W475 PolarHBondContact O-N 2.85Å; P472-W475 VanDerWaalsContact O-N 3.17Å
473	S	95.1	Very high	92.4	Very high	12 Å²	12	49 Å²	49	8%	0.084	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-63.8	-1.3	-178.7	61.1	0	0	0	0	115.7	Q471	Q471-S473 VanDerWaalsContact C-N 3.27Å; Q471-S473 WeakPolarHBondContact CB-OG 3.08Å; Q471-S473 PolarHBondContact O-N 2.89Å; Q471-S473 PolarHBondContact OE1-OG 3.3Å
474	Q	94.7	Very high	93	Very high	11 Å²	11	41.1 Å²	41.1	5%	0.051	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-107.2	9.9	178.5	80.7	-157.6	-53.7	0	0	113.1	Y356 L470 Q471 P472 G476 M477 L478	Y356-Q474 HydrophobicContact CD2-CB 3.81Å; Y356-Q474 HydrophobicContact CE2-CB 3.74Å; Y356-Q474 HydrophobicContact CG-CB 4.47Å; L470-Q474 HydrophobicContact CD1-CG 4.41Å; Q471-Q474 WeakPolarHBondContact O-CG 3.45Å; Q471-Q474 PolarHBondContact O-NE2 2.9Å; P472-Q474 PolarHBondContact O-N 3.23Å; Q474-G476 PolarHBondContact O-N 2.98Å; Q474-M477 PolarHBondContact O-N 3Å; Q474-L478 HydrophobicContact CB-CB 4.04Å; Q474-L478 HydrophobicContact CB-CD1 4.21Å; Q474-L478 HydrophobicContact CB-CG 4.22Å; Q474-L478 HydrophobicContact CG-CB 4.1Å; Q474-L478 PolarHBondContact O-N 3.37Å
475	W	96.6	Very high	93.3	Very high	102 Å²	102	42.9 Å²	42.9	39%	0.386	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	125.5	177.6	179	-93.3	0	0	0	110.9	P472 M477 L644 E657 L663	P472-W475 PolarHBondContact O-N 2.85Å; P472-W475 VanDerWaalsContact O-N 3.17Å; W475-M477 PolarHBondContact O-N 2.92Å; W475-L644 HydrophobicContact CZ2-CD2 3.85Å; W475-E657 PolarHBondContact NE1-OE2 3.17Å; W475-L663 HydrophobicContact CD2-CD1 4.21Å; W475-L663 HydrophobicContact CE3-CD1 4.04Å; W475-L663 HydrophobicContact CE3-CD2 3.98Å; W475-L663 HydrophobicContact CH2-CD2 3.81Å; W475-L663 HydrophobicContact CZ2-CD2 4.47Å; W475-L663 HydrophobicContact CZ3-CD1 4.44Å; W475-L663 HydrophobicContact CZ3-CD2 3.53Å
476	G	94.1	Very high	93.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-12.2	179.1	0	0	0	0	0	115.7	Q474 A496 T499 R593 L663	Q474-G476 PolarHBondContact O-N 2.98Å; G476-A496 VanDerWaalsContact O-CB 3.29Å; G476-A496 WeakPolarHBondContact O-CB 3.5Å; G476-T499 PolarHBondContact O-OG1 3.11Å; G476-R593 PolarHBondContact O-NH1 2.95Å; G476-L663 VanDerWaalsContact N-CD1 3.27Å
477	M	95.5	Very high	93.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-46.1	-179.8	-56.7	-59.8	178	0	0	111.9	Q474 W475 A496 T499 L591 R593 V634	Q474-M477 PolarHBondContact O-N 3Å; W475-M477 PolarHBondContact O-N 2.92Å; M477-A496 WeakPolarHBondContact O-CB 3.47Å; M477-A496 PolarHBondContact O-N 2.63Å; M477-T499 WeakPolarHBondContact CA-OG1 3.29Å; M477-T499 HydrophobicContact CB-CG2 4.46Å; M477-T499 PolarHBondContact O-OG1 3.11Å; M477-T499 HydrophobicContact SD-CG2 4.18Å; M477-L591 HydrophobicContact CB-CB 4.33Å; M477-L591 HydrophobicContact CB-CD1 4.22Å; M477-L591 HydrophobicContact CG-CB 4.2Å; M477-L591 HydrophobicContact SD-CB 3.95Å; M477-R593 HydrophobicContact CE-CB 3.53Å; M477-R593 HydrophobicContact SD-CB 3.69Å; M477-V634 HydrophobicContact CE-CG2 4.05Å; M477-V634 HydrophobicContact CG-CG2 3.98Å
478	L	96.5	Very high	93.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-121.3	149.3	179.5	-61.4	-175.3	0	0	0	112	Y356 I454 Q474 K493 L495	Y356-L478 HydrophobicContact CD1-CD1 4.28Å; Y356-L478 HydrophobicContact CE1-CD1 3.34Å; Y356-L478 HydrophobicContact CE1-CG 4.3Å; Y356-L478 HydrophobicContact CE2-CD1 4.06Å; Y356-L478 WeakPolarHBondContact OH-CD1 3.48Å; I454-L478 HydrophobicContact CD1-CD2 3.39Å; Q474-L478 HydrophobicContact CB-CB 4.04Å; Q474-L478 HydrophobicContact CB-CD1 4.21Å; Q474-L478 HydrophobicContact CB-CG 4.22Å; Q474-L478 HydrophobicContact CG-CB 4.1Å; Q474-L478 PolarHBondContact O-N 3.37Å; L478-K493 HydrophobicContact CD1-CB 4.4Å; L478-K493 HydrophobicContact CD1-CD 3.95Å; L478-L495 HydrophobicContact CD2-CD2 3.86Å
479	C	97.3	Very high	94	Very high	7 Å²	7	45.4 Å²	45.4	5%	0.047	26%	0.263	C	S	.	.			trans	-71.6	127.6	177.7	-176	0	0	0	0	110.7	S481 D482 N494 G665	C479-S481 PolarHBondContact O-N 3.37Å; C479-D482 HydrophobicContact CB-CB 3.96Å; C479-D482 VanDerWaalsContact SG-CB 3.53Å; C479-D482 PolarHBondContact SG-N 2.84Å; C479-D482 VanDerWaalsContact SG-N 3.42Å; C479-N494 PolarHBondContact N-O 3.39Å; C479-G665 PolarHBondContact SG-N 3.16Å
480	P	96.9	Very high	94	Very high	39 Å²	39	42.2 Å²	42.2	25%	0.253	24%	0.242	S	C	.	.	S	Bend	trans	-73.6	-25.5	-178.5	28.7	-36	0	0	0	113.8	L470 L663 L664	L470-P480 HydrophobicContact CD1-CB 4.29Å; L470-P480 HydrophobicContact CD2-CB 3.76Å; P480-L663 WeakPolarHBondContact CD-O 3.46Å; P480-L663 HydrophobicContact CG-CD1 4.47Å; P480-L663 HydrophobicContact CG-CD2 4.28Å; P480-L663 HydrophobicContact CG-CG 4.07Å; P480-L664 HydrophobicContact CG-CD2 3.83Å
481	S	96.2	Very high	93.9	Very high	11 Å²	11	37.4 Å²	37.4	8%	0.077	22%	0.217	C	C	.	.	S	Bend	trans	-105	-21.6	-174.7	-53.4	0	0	0	0	113.9	C479 T483 T683	C479-S481 PolarHBondContact O-N 3.37Å; S481-T483 VanDerWaalsContact C-N 3.31Å; S481-T483 PolarHBondContact O-N 2.83Å; S481-T683 WeakPolarHBondContact O-CA 3.01Å; S481-T683 WeakPolarHBondContact O-CG2 3.24Å; S481-T683 PolarHBondContact O-OG1 3.38Å
482	D	96.8	Very high	93.9	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	22%	0.215	C	C	.	.			trans	-85.9	72.9	-173.3	-166.5	4.7	0	0	0	112.5	C479 N494 C667 C686 K690	C479-D482 HydrophobicContact CB-CB 3.96Å; C479-D482 VanDerWaalsContact SG-CB 3.53Å; C479-D482 PolarHBondContact SG-N 2.84Å; C479-D482 VanDerWaalsContact SG-N 3.42Å; D482-N494 HydrophobicContact CB-CB 4.09Å; D482-N494 PolarHBondContact O-ND2 2.99Å; D482-N494 PolarHBondContact OD1-ND2 3.4Å; D482-N494 PolarHBondContact OD2-ND2 3.5Å; D482-C667 WeakPolarHBondContact OD2-CB 3.43Å; D482-C686 HydrophobicContact CB-CB 4.22Å; D482-K690 IonicContact OD1-NZ 3.53Å; D482-K690 PolarHBondContact OD1-NZ 2.75Å; D482-K690 IonicContact OD2-NZ 3.42Å; D482-K690 PolarHBondContact OD2-NZ 2.93Å
483	T	94.8	Very high	93.8	Very high	24 Å²	24	31.7 Å²	31.7	15%	0.147	18%	0.18	C	C	.	.			trans	-123.3	143.1	169.8	176.3	0	0	0	0	109.8	S481 G490 V492 T683	S481-T483 VanDerWaalsContact C-N 3.31Å; S481-T483 PolarHBondContact O-N 2.83Å; T483-G490 PolarHBondContact OG1-N 3.1Å; T483-V492 PolarHBondContact OG1-O 2.88Å; T483-T683 HydrophobicContact CG2-CG2 3.73Å; T483-T683 WeakPolarHBondContact O-CG2 3.5Å
484	P	92.4	Very high	93.9	Very high	43 Å²	43	31.2 Å²	31.2	28%	0.279	18%	0.177	S	C	.	.			trans	-62.6	143.5	168.5	-19.5	32.6	0	0	0	111.4	A488 C489 V492	P484-A488 HydrophobicContact CB-CB 4.47Å; P484-C489 VanDerWaalsContact O-CA 3.25Å; P484-C489 WeakPolarHBondContact O-CA 3.31Å; P484-C489 WeakPolarHBondContact O-CB 3.42Å; P484-V492 VanDerWaalsContact CD-O 3.28Å; P484-V492 WeakPolarHBondContact CD-O 3.5Å; P484-V492 HydrophobicContact CG-CB 3.95Å; P484-V492 HydrophobicContact CG-CG1 3.93Å
485	E	88.6	Confident	94	Very high	119 Å²	119	31.1 Å²	31.1	56%	0.556	18%	0.176	S	C	*	.	S	Bend	trans	-79.3	140.1	165.8	-175.1	179.4	-156	0	0	109.9	Y684	E485-Y684 HydrophobicContact CG-CE1 4.22Å; E485-Y684 WeakPolarHBondContact OE1-CE1 3.09Å; E485-Y684 PolarHBondContact OE1-OH 3.37Å; E485-Y684 VanDerWaalsContact OE1-OH 3.1Å; E485-Y684 WeakPolarHBondContact OE2-CE1 3.4Å
486	G	89.1	Confident	93.9	Very high	49 Å²	49	26.7 Å²	26.7	51%	0.505	16%	0.161	S	C	.	.	S	Bend	trans	113.7	-150.8	178.9	0	0	0	0	0	113.9	A488 C489	G486-A488 PolarHBondContact O-N 3.36Å; G486-A488 VanDerWaalsContact O-N 3.09Å; G486-C489 VanDerWaalsContact O-CB 3.24Å; G486-C489 WeakPolarHBondContact O-CB 3.5Å; G486-C489 PolarHBondContact O-N 3.19Å
487	E	89.4	Confident	93.9	Very high	125 Å²	125	26.9 Å²	26.9	58%	0.584	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.9	-174.1	59.5	159.1	-148.3	0	0	114.5	K460 R468	K460-E487 WeakPolarHBondContact CD-OE1 3.39Å; K460-E487 IonicContact NZ-OE1 3.76Å; R468-E487 PolarHBondContact NH1-O 3.26Å; R468-E487 PolarHBondContact NH2-O 2.93Å
488	A	90.6	Very high	93.8	Very high	13 Å²	13	26.9 Å²	26.9	11%	0.107	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	1.3	-177.5	0	0	0	0	0	113.2	P484 G486 G490 L491 V492	P484-A488 HydrophobicContact CB-CB 4.47Å; G486-A488 PolarHBondContact O-N 3.36Å; G486-A488 VanDerWaalsContact O-N 3.09Å; A488-G490 PolarHBondContact O-N 2.7Å; A488-L491 PolarHBondContact O-N 2.79Å; A488-V492 HydrophobicContact CB-CB 4.48Å; A488-V492 HydrophobicContact CB-CG2 3.99Å; A488-V492 PolarHBondContact O-N 3.16Å; A488-V492 VanDerWaalsContact O-N 3.16Å
489	C	93.5	Very high	93.7	Very high	54 Å²	54	27.6 Å²	27.6	37%	0.365	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	126.1	-179.5	-173.5	0	0	0	0	111	R468 P484 G486 L491	R468-C489 PolarHBondContact NH1-O 3.27Å; P484-C489 VanDerWaalsContact O-CA 3.25Å; P484-C489 WeakPolarHBondContact O-CA 3.31Å; P484-C489 WeakPolarHBondContact O-CB 3.42Å; G486-C489 VanDerWaalsContact O-CB 3.24Å; G486-C489 WeakPolarHBondContact O-CB 3.5Å; G486-C489 PolarHBondContact O-N 3.19Å; C489-L491 PolarHBondContact O-N 2.88Å
490	G	91.3	Very high	93.6	Very high	9 Å²	9	28.4 Å²	28.4	9%	0.093	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	-11.4	-178.5	0	0	0	0	0	115.5	R468 T483 A488 K493	R468-G490 WeakPolarHBondContact O-CA 3.45Å; T483-G490 PolarHBondContact OG1-N 3.1Å; A488-G490 PolarHBondContact O-N 2.7Å; G490-K493 WeakPolarHBondContact O-CE 3.37Å
491	L	92.4	Very high	93.5	Very high	7 Å²	7	27 Å²	27	4%	0.037	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-22	177.4	-60.5	-177.2	0	0	0	113	S456 F458 K460 R468 A488 C489	S456-L491 WeakPolarHBondContact CB-O 3.34Å; S456-L491 PolarHBondContact N-O 2.81Å; S456-L491 PolarHBondContact OG-O 2.85Å; S456-L491 VanDerWaalsContact OG-O 3.09Å; F458-L491 HydrophobicContact CB-CD2 4.07Å; K460-L491 HydrophobicContact CG-CD1 4.34Å; R468-L491 HydrophobicContact CG-CD2 4.03Å; R468-L491 HydrophobicContact CG-CG 4.21Å; A488-L491 PolarHBondContact O-N 2.79Å; C489-L491 PolarHBondContact O-N 2.88Å
492	V	93.9	Very high	93.3	Very high	18 Å²	18	26.5 Å²	26.5	11%	0.109	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.3	172.8	175.7	0	0	0	0	107.4	R453 I454 T483 P484 A488	R453-V492 VanDerWaalsContact CD-CG1 3.49Å; R453-V492 HydrophobicContact CG-CG1 3.55Å; I454-V492 WeakPolarHBondContact O-CA 3.36Å; T483-V492 PolarHBondContact OG1-O 2.88Å; P484-V492 VanDerWaalsContact CD-O 3.28Å; P484-V492 WeakPolarHBondContact CD-O 3.5Å; P484-V492 HydrophobicContact CG-CB 3.95Å; P484-V492 HydrophobicContact CG-CG1 3.93Å; A488-V492 HydrophobicContact CB-CB 4.48Å; A488-V492 HydrophobicContact CB-CG2 3.99Å; A488-V492 PolarHBondContact O-N 3.16Å; A488-V492 VanDerWaalsContact O-N 3.16Å
493	K	95	Very high	92.9	Very high	19 Å²	19	28.3 Å²	28.3	8%	0.083	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	167.4	-171.8	-52.9	170	-162.9	159	0	109.3	E182 Y356 R453 I454 S456 L478 G490	E182-K493 IonicContact OE1-NZ 3.1Å; E182-K493 PolarHBondContact OE1-NZ 3.33Å; E182-K493 IonicContact OE2-NZ 3.77Å; E182-K493 PolarHBondContact OE2-NZ 2.84Å; Y356-K493 WeakPolarHBondContact OH-CD 3.27Å; Y356-K493 WeakPolarHBondContact OH-CE 3.06Å; Y356-K493 PolarHBondContact OH-NZ 2.83Å; R453-K493 WeakPolarHBondContact CA-O 3.36Å; I454-K493 PolarHBondContact N-O 2.98Å; I454-K493 PolarHBondContact O-N 2.91Å; S456-K493 PolarHBondContact OG-NZ 3.02Å; L478-K493 HydrophobicContact CD1-CB 4.4Å; L478-K493 HydrophobicContact CD1-CD 3.95Å; G490-K493 WeakPolarHBondContact O-CE 3.37Å
494	N	96.3	Very high	92.4	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.011	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.2	175.4	-69.3	-84	0	0	0	110.3	G449 T452 C479 D482	G449-N494 PolarHBondContact O-OD1 3.34Å; T452-N494 WeakPolarHBondContact O-CA 3.48Å; C479-N494 PolarHBondContact N-O 3.39Å; D482-N494 HydrophobicContact CB-CB 4.09Å; D482-N494 PolarHBondContact O-ND2 2.99Å; D482-N494 PolarHBondContact OD1-ND2 3.4Å; D482-N494 PolarHBondContact OD2-ND2 3.5Å
495	L	96.5	Very high	92	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.042	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-61.9	148.3	173.1	-67.6	165.1	0	0	0	111.1	Q42 I180 L361 T452 I454 L478 T499 I501 L591	Q42-L495 HydrophobicContact CG-CD1 4.28Å; I180-L495 HydrophobicContact CD1-CD1 4.06Å; L361-L495 HydrophobicContact CD1-CD2 4.32Å; T452-L495 PolarHBondContact O-N 3.3Å; T452-L495 VanDerWaalsContact O-N 3.09Å; I454-L495 HydrophobicContact CD1-CD2 3.66Å; I454-L495 HydrophobicContact CD1-CG 3.82Å; I454-L495 HydrophobicContact CG1-CG 4.42Å; L478-L495 HydrophobicContact CD2-CD2 3.86Å; L495-T499 HydrophobicContact CD2-CG2 3.99Å; L495-I501 HydrophobicContact CD1-CD1 4.05Å; L495-I501 HydrophobicContact CD2-CD1 4.33Å; L495-L591 HydrophobicContact CD2-CD2 3.66Å
496	A	95.5	Very high	91.9	Very high	9 Å²	9	32.2 Å²	32.2	7%	0.074	18%	0.184	C	C	.	.			trans	-72.8	175.9	166.8	0	0	0	0	0	110.8	G476 M477 T662	G476-A496 VanDerWaalsContact O-CB 3.29Å; G476-A496 WeakPolarHBondContact O-CB 3.5Å; M477-A496 WeakPolarHBondContact O-CB 3.47Å; M477-A496 PolarHBondContact O-N 2.63Å; A496-T662 WeakPolarHBondContact CB-O 3.46Å
497	L	93.3	Very high	91.8	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-35.9	-170.5	-163.1	74.5	0	0	0	113.2	L30 L39 T662 V666 T723 L726	L30-L497 HydrophobicContact CD1-CD2 4.11Å; L30-L497 HydrophobicContact CD2-CD2 3.89Å; L30-L497 HydrophobicContact CG-CD2 4.43Å; L39-L497 HydrophobicContact CD1-CD1 4.43Å; L39-L497 HydrophobicContact CD2-CD1 3.46Å; L39-L497 VanDerWaalsContact CD2-CD1 3.46Å; L39-L497 HydrophobicContact CD2-CG 4.12Å; L497-T662 HydrophobicContact CD2-CG2 4.31Å; L497-T662 PolarHBondContact N-O 3.26Å; L497-V666 HydrophobicContact CD1-CG2 4.04Å; L497-T723 HydrophobicContact CD1-CG2 4.21Å; L497-T723 HydrophobicContact CD2-CG2 4.16Å; L497-L726 HydrophobicContact CD2-CD1 4.03Å
498	M	94.1	Very high	91.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	47.4	-172.9	-155.7	174.3	-163.6	0	0	111.6	L30 F33 P594 F620 I658 T662	L30-M498 HydrophobicContact CD1-CB 4.27Å; L30-M498 HydrophobicContact CD1-CE 4.5Å; L30-M498 HydrophobicContact CD1-CG 4.18Å; L30-M498 HydrophobicContact CD1-SD 4.12Å; F33-M498 HydrophobicContact CB-CE 3.82Å; F33-M498 HydrophobicContact CD1-CE 4.35Å; F33-M498 HydrophobicContact CD1-CG 3.81Å; F33-M498 HydrophobicContact CD2-CE 4.45Å; F33-M498 HydrophobicContact CE1-CB 4.46Å; F33-M498 HydrophobicContact CE1-CG 3.88Å; F33-M498 HydrophobicContact CG-CE 3.96Å; F33-M498 HydrophobicContact CG-CG 4.24Å; F33-M498 HydrophobicContact CZ-CG 4.35Å; M498-P594 HydrophobicContact CE-CB 4.35Å; M498-P594 HydrophobicContact CE-CG 3.42Å; M498-P594 VanDerWaalsContact CE-CG 3.42Å; M498-P594 HydrophobicContact CG-CG 3.56Å; M498-P594 WeakPolarHBondContact O-CD 3.06Å; M498-P594 HydrophobicContact SD-CG 3.72Å; M498-F620 HydrophobicContact CE-CE2 4.2Å; M498-F620 HydrophobicContact CE-CZ 4.38Å; M498-I658 HydrophobicContact CE-CB 4.49Å; M498-I658 HydrophobicContact CE-CD1 3.4Å; M498-I658 HydrophobicContact CE-CG2 4.22Å; M498-I658 HydrophobicContact SD-CB 4.28Å; M498-I658 HydrophobicContact SD-CD1 3.96Å; M498-I658 HydrophobicContact SD-CG2 4.34Å; M498-T662 HydrophobicContact CB-CG2 4.5Å
499	T	94.2	Very high	91.9	Very high	17 Å²	17	32.3 Å²	32.3	10%	0.104	19%	0.191	C	C	.	.			trans	-112.2	136.5	-179.1	-48.9	0	0	0	0	110.1	G476 M477 L495 L591	G476-T499 PolarHBondContact O-OG1 3.11Å; M477-T499 WeakPolarHBondContact CA-OG1 3.29Å; M477-T499 HydrophobicContact CB-CG2 4.46Å; M477-T499 PolarHBondContact O-OG1 3.11Å; M477-T499 HydrophobicContact SD-CG2 4.18Å; L495-T499 HydrophobicContact CD2-CG2 3.99Å; T499-L591 HydrophobicContact CG2-CD2 3.5Å
500	H	93.8	Very high	91.9	Very high	24 Å²	24	30 Å²	30	11%	0.111	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.6	173.3	-176.5	-94.6	0	0	0	109.7	F570 C592 Y631	H500-F570 AromaticContact CE1-CE1 3.42Å; H500-F570 VanDerWaalsContact CE1-CE1 3.42Å; H500-F570 WeakPolarHBondContact CE1-CE1 3.38Å; H500-F570 AromaticContact CE1-CE2 3.75Å; H500-F570 AromaticContact CE1-CZ 3.19Å; H500-F570 WeakPolarHBondContact CE1-CZ 3.49Å; H500-F570 AromaticContact CG-CE1 4Å; H500-F570 AromaticContact ND1-CD1 3.88Å; H500-F570 AromaticContact ND1-CE1 3.22Å; H500-F570 WeakPolarHBondContact ND1-CE1 3.4Å; H500-F570 AromaticContact ND1-CZ 3.53Å; H500-F570 AromaticContact NE2-CZ 3.76Å; H500-C592 HydrophobicContact CB-CB 4.43Å; H500-C592 PolarHBondContact N-O 2.9Å; H500-C592 PolarHBondContact O-N 2.64Å; H500-Y631 HydrophobicContact CB-CE1 4.33Å
501	I	94.8	Very high	92	Very high	9 Å²	9	32.3 Å²	32.3	5%	0.046	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.9	175	-59.5	171.8	0	0	0	108.4	Q42 I180 L361 L363 L495 R590 L591	Q42-I501 HydrophobicContact CB-CD1 4.14Å; Q42-I501 HydrophobicContact CG-CD1 4.36Å; I180-I501 HydrophobicContact CD1-CD1 4.42Å; L361-I501 HydrophobicContact CB-CD1 4.4Å; L361-I501 HydrophobicContact CD1-CD1 3.66Å; L361-I501 HydrophobicContact CD1-CG1 4.3Å; L363-I501 HydrophobicContact CD1-CB 4.16Å; L363-I501 HydrophobicContact CD1-CG2 3.7Å; L363-I501 HydrophobicContact CD2-CD1 3.76Å; L363-I501 HydrophobicContact CD2-CG2 4.43Å; L363-I501 HydrophobicContact CG-CG2 4.2Å; L495-I501 HydrophobicContact CD1-CD1 4.05Å; L495-I501 HydrophobicContact CD2-CD1 4.33Å; I501-R590 VanDerWaalsContact CA-O 3.3Å; I501-R590 WeakPolarHBondContact CA-O 3.17Å; I501-L591 HydrophobicContact CG1-CD2 4.06Å
502	T	93.7	Very high	92.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-70.5	147.6	-177.2	62.7	0	0	0	0	112.1	F570 D587 G588 G589 R590 C592	T502-F570 HydrophobicContact CG2-CB 3.87Å; T502-F570 HydrophobicContact CG2-CD1 4.12Å; T502-F570 HydrophobicContact CG2-CG 4.11Å; T502-D587 PolarHBondContact OG1-O 3.5Å; T502-G588 WeakPolarHBondContact O-CA 3.27Å; T502-G588 WeakPolarHBondContact OG1-CA 3.42Å; T502-G589 PolarHBondContact O-N 3.48Å; T502-G589 PolarHBondContact OG1-N 2.8Å; T502-R590 HydrophobicContact CG2-CB 4.17Å; T502-R590 PolarHBondContact N-O 3.17Å; T502-R590 WeakPolarHBondContact OG1-CB 3.21Å; T502-R590 PolarHBondContact OG1-N 3.36Å; T502-C592 WeakPolarHBondContact CG2-SG 3.42Å
503	T	87.7	Confident	92.1	Very high	41 Å²	41	39.7 Å²	39.7	25%	0.252	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-96.4	165	164.2	51.8	0	0	0	0	110.2	M505	T503-M505 PolarHBondContact O-N 2.71Å
504	D	84.4	Confident	92	Very high	62 Å²	62	39 Å²	39	33%	0.332	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-66.6	132	176.6	-74.7	-25.6	0	0	0	111	Y49 G588	Y49-D504 PolarHBondContact OH-O 3.12Å; D504-G588 VanDerWaalsContact OD1-CA 3.24Å; D504-G588 WeakPolarHBondContact OD1-CA 3.5Å; D504-G588 PolarHBondContact OD1-N 3.04Å
505	M	84.4	Confident	92	Very high	60 Å²	60	42.8 Å²	42.8	30%	0.296	23%	0.23	S	C	.	.			trans	-107.3	167.4	178.1	-57.4	-58.4	-69.1	0	0	111.4	T503 N568 S586	T503-M505 PolarHBondContact O-N 2.71Å; M505-N568 HydrophobicContact CE-CB 3.51Å; M505-N568 VanDerWaalsContact CE-ND2 3.32Å; M505-N568 WeakPolarHBondContact CE-ND2 3.2Å; M505-S586 PolarHBondContact N-O 2.78Å
506	E	85.9	Confident	91.9	Very high	147 Å²	147	48.3 Å²	48.3	69%	0.687	26%	0.26	S	S	*	.			trans	-82.3	130.5	174.9	-65.6	-171.5	173.4	0	0	111.9
507	D	87.5	Confident	91.8	Very high	58 Å²	58	50.2 Å²	50.2	31%	0.31	27%	0.268	S	S	.	.	S	Bend	trans	-81.9	-23	-175.6	-70	-15.2	0	0	0	113.4	I510 I511 L540 N541 S586	D507-I510 WeakPolarHBondContact O-CB 3.29Å; D507-I510 PolarHBondContact O-N 3.22Å; D507-I511 HydrophobicContact CB-CD1 4.35Å; D507-I511 WeakPolarHBondContact O-CG1 3.32Å; D507-I511 PolarHBondContact O-N 3.42Å; D507-I511 VanDerWaalsContact O-N 3.08Å; D507-L540 HydrophobicContact CB-CD2 4.05Å; D507-N541 PolarHBondContact OD1-ND2 3.04Å; D507-N541 PolarHBondContact OD2-ND2 3.04Å; D507-S586 PolarHBondContact OD1-OG 2.86Å
508	G	90.3	Very high	91.8	Very high	48 Å²	48	52 Å²	52	50%	0.495	29%	0.288	S	S	.	.	H	α-helix	trans	-50.5	-54.5	-176.3	0	0	0	0	0	115.9	I510 I511 K512	G508-I510 VanDerWaalsContact C-N 3.26Å; G508-I510 PolarHBondContact O-N 2.82Å; G508-I511 PolarHBondContact O-N 3.01Å; G508-K512 PolarHBondContact O-N 2.59Å
509	P	91.8	Very high	91.8	Very high	83 Å²	83	52.3 Å²	52.3	54%	0.539	29%	0.29	S	S	.	.	H	α-helix	trans	-63.9	-32.3	-179.4	23.8	-33.2	0	0	0	112.8	K512 L513	P509-K512 PolarHBondContact O-N 2.78Å; P509-L513 PolarHBondContact O-N 2.81Å
510	I	93.6	Very high	91.7	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-68.5	-44.2	179.8	-57.8	171.1	0	0	0	110.3	D507 G508 K512 L513 A514 L540 F558 I567 V571 V584 S586	D507-I510 WeakPolarHBondContact O-CB 3.29Å; D507-I510 PolarHBondContact O-N 3.22Å; G508-I510 VanDerWaalsContact C-N 3.26Å; G508-I510 PolarHBondContact O-N 2.82Å; I510-K512 VanDerWaalsContact C-N 3.35Å; I510-K512 PolarHBondContact O-N 3.44Å; I510-L513 PolarHBondContact O-N 3.47Å; I510-A514 WeakPolarHBondContact O-CB 3.47Å; I510-A514 PolarHBondContact O-N 3.02Å; I510-L540 HydrophobicContact CB-CD1 4.43Å; I510-L540 HydrophobicContact CG2-CD1 3.68Å; I510-F558 HydrophobicContact CG2-CE2 4.21Å; I510-F558 HydrophobicContact CG2-CZ 4.04Å; I510-I567 HydrophobicContact CG1-CG2 4.5Å; I510-V571 HydrophobicContact CD1-CG1 4Å; I510-V571 HydrophobicContact CD1-CG2 3.8Å; I510-V584 HydrophobicContact CG2-CG1 3.81Å; I510-S586 VanDerWaalsContact CD1-CB 3.47Å
511	I	93.8	Very high	91.6	Very high	58 Å²	58	57.5 Å²	57.5	30%	0.297	32%	0.315	S	S	.	.	H	α-helix	trans	-59.4	-47.6	176.7	-65.1	168.5	0	0	0	110.3	D507 G508 L513 A514 F515 L540 L545	D507-I511 HydrophobicContact CB-CD1 4.35Å; D507-I511 WeakPolarHBondContact O-CG1 3.32Å; D507-I511 PolarHBondContact O-N 3.42Å; D507-I511 VanDerWaalsContact O-N 3.08Å; G508-I511 PolarHBondContact O-N 3.01Å; I511-L513 VanDerWaalsContact C-N 3.31Å; I511-L513 PolarHBondContact O-N 2.85Å; I511-A514 PolarHBondContact O-N 3.11Å; I511-F515 HydrophobicContact CG2-CD2 3.83Å; I511-F515 HydrophobicContact CG2-CE2 3.5Å; I511-F515 WeakPolarHBondContact O-CD2 3.41Å; I511-F515 PolarHBondContact O-N 2.83Å; I511-L540 HydrophobicContact CD1-CD2 4.05Å; I511-L540 HydrophobicContact CG1-CD2 3.51Å; I511-L545 HydrophobicContact CG1-CD2 3.98Å
512	K	94.2	Very high	91.3	Very high	150 Å²	150	57.2 Å²	57.2	65%	0.652	31%	0.313	S	S	*	.	H	α-helix	trans	-60.5	-41.9	179.2	-172.6	175	-178.3	178.4	0	111.8	G508 P509 I510 N516	G508-K512 PolarHBondContact O-N 2.59Å; P509-K512 PolarHBondContact O-N 2.78Å; I510-K512 VanDerWaalsContact C-N 3.35Å; I510-K512 PolarHBondContact O-N 3.44Å; K512-N516 VanDerWaalsContact O-CG 3.28Å; K512-N516 PolarHBondContact O-N 3.15Å; K512-N516 PolarHBondContact O-ND2 3.09Å
513	L	93.4	Very high	91	Very high	30 Å²	30	60.8 Å²	60.8	16%	0.157	33%	0.333	C	S	.	.	H	α-helix	trans	-67.5	-41.4	177.7	-176.4	66.3	0	0	0	112.2	P509 I510 I511 F515 N516 L517 F558 M561 I567	P509-L513 PolarHBondContact O-N 2.81Å; I510-L513 PolarHBondContact O-N 3.47Å; I511-L513 VanDerWaalsContact C-N 3.31Å; I511-L513 PolarHBondContact O-N 2.85Å; L513-F515 PolarHBondContact O-N 2.77Å; L513-N516 PolarHBondContact O-N 2.99Å; L513-L517 HydrophobicContact CD1-CD1 4.09Å; L513-L517 HydrophobicContact CD1-CG 4.08Å; L513-L517 HydrophobicContact CD2-CD1 4.23Å; L513-L517 HydrophobicContact CG-CD1 3.79Å; L513-L517 HydrophobicContact CG-CG 4.17Å; L513-L517 WeakPolarHBondContact O-CG 3.37Å; L513-L517 PolarHBondContact O-N 3.43Å; L513-F558 HydrophobicContact CD2-CD2 3.89Å; L513-F558 HydrophobicContact CD2-CE2 3.85Å; L513-M561 HydrophobicContact CD2-CB 4.47Å; L513-I567 HydrophobicContact CD2-CD1 3.15Å; L513-I567 HydrophobicContact CD2-CG1 3.88Å
514	A	93.6	Very high	91.1	Very high	6 Å²	6	65.7 Å²	65.7	5%	0.05	36%	0.357	C	S	.	.	H	α-helix	trans	-57.5	-48.3	179.5	0	0	0	0	0	111.6	I510 I511 N516 L517 V519 L545	I510-A514 WeakPolarHBondContact O-CB 3.47Å; I510-A514 PolarHBondContact O-N 3.02Å; I511-A514 PolarHBondContact O-N 3.11Å; A514-N516 PolarHBondContact O-N 2.73Å; A514-L517 PolarHBondContact O-N 2.94Å; A514-V519 HydrophobicContact CB-CB 4.46Å; A514-V519 HydrophobicContact CB-CG2 4.15Å; A514-V519 VanDerWaalsContact O-CB 3.31Å; A514-V519 WeakPolarHBondContact O-CB 3.35Å; A514-V519 VanDerWaalsContact O-CG2 3.29Å; A514-V519 WeakPolarHBondContact O-CG2 3.3Å; A514-V519 PolarHBondContact O-N 2.75Å; A514-L545 HydrophobicContact CB-CD1 4.13Å
515	F	95	Very high	91.1	Very high	81 Å²	81	63.9 Å²	63.9	36%	0.355	35%	0.347	S	S	.	.	H	α-helix	trans	-61.7	-41.9	175.9	-73.1	-62.3	0	0	0	112.4	I511 L513 L517 G518 V519 D521	I511-F515 HydrophobicContact CG2-CD2 3.83Å; I511-F515 HydrophobicContact CG2-CE2 3.5Å; I511-F515 WeakPolarHBondContact O-CD2 3.41Å; I511-F515 PolarHBondContact O-N 2.83Å; L513-F515 PolarHBondContact O-N 2.77Å; F515-L517 VanDerWaalsContact C-N 3.26Å; F515-L517 PolarHBondContact O-N 3.32Å; F515-G518 PolarHBondContact O-N 2.97Å; F515-G518 VanDerWaalsContact O-N 3.15Å; F515-V519 VanDerWaalsContact CD1-O 3.3Å; F515-V519 WeakPolarHBondContact CD1-O 3.23Å; F515-D521 HydrophobicContact CE1-CB 4.13Å
516	N	94.4	Very high	91	Very high	123 Å²	123	63.4 Å²	63.4	66%	0.658	35%	0.349	S	S	*	.	H	α-helix	trans	-65.1	-28	177.4	-72.7	-12.2	0	0	0	113.6	K512 L513 A514 G518	K512-N516 VanDerWaalsContact O-CG 3.28Å; K512-N516 PolarHBondContact O-N 3.15Å; K512-N516 PolarHBondContact O-ND2 3.09Å; L513-N516 PolarHBondContact O-N 2.99Å; A514-N516 PolarHBondContact O-N 2.73Å; N516-G518 PolarHBondContact O-N 2.77Å
517	L	94	Very high	90.5	Very high	49 Å²	49	56.4 Å²	56.4	26%	0.257	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	5.2	177.7	-68.4	177.1	0	0	0	113.3	L513 A514 F515 L554 T557 F558	L513-L517 HydrophobicContact CD1-CD1 4.09Å; L513-L517 HydrophobicContact CD1-CG 4.08Å; L513-L517 HydrophobicContact CD2-CD1 4.23Å; L513-L517 HydrophobicContact CG-CD1 3.79Å; L513-L517 HydrophobicContact CG-CG 4.17Å; L513-L517 WeakPolarHBondContact O-CG 3.37Å; L513-L517 PolarHBondContact O-N 3.43Å; A514-L517 PolarHBondContact O-N 2.94Å; F515-L517 VanDerWaalsContact C-N 3.26Å; F515-L517 PolarHBondContact O-N 3.32Å; L517-L554 HydrophobicContact CB-CD1 3.6Å; L517-L554 HydrophobicContact CD1-CD1 3.81Å; L517-L554 HydrophobicContact CG-CD1 4.36Å; L517-T557 HydrophobicContact CD2-CG2 3.66Å; L517-F558 HydrophobicContact CD1-CB 4.4Å; L517-F558 HydrophobicContact CD1-CD2 4.14Å
518	G	92.4	Very high	90.3	Very high	41 Å²	41	57.1 Å²	57.1	42%	0.423	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.5	22.1	174.3	0	0	0	0	0	114.8	F515 N516	F515-G518 PolarHBondContact O-N 2.97Å; F515-G518 VanDerWaalsContact O-N 3.15Å; N516-G518 PolarHBondContact O-N 2.77Å
519	V	94.6	Very high	89.8	Confident	7 Å²	7	57.6 Å²	57.6	4%	0.042	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-74.6	125	165.4	178.2	0	0	0	0	108.6	A514 F515 V538 V547 I548 L554	A514-V519 HydrophobicContact CB-CB 4.46Å; A514-V519 HydrophobicContact CB-CG2 4.15Å; A514-V519 VanDerWaalsContact O-CB 3.31Å; A514-V519 WeakPolarHBondContact O-CB 3.35Å; A514-V519 VanDerWaalsContact O-CG2 3.29Å; A514-V519 WeakPolarHBondContact O-CG2 3.3Å; A514-V519 PolarHBondContact O-N 2.75Å; F515-V519 VanDerWaalsContact CD1-O 3.3Å; F515-V519 WeakPolarHBondContact CD1-O 3.23Å; V519-V538 HydrophobicContact CG1-CB 4.33Å; V519-V538 HydrophobicContact CG1-CG2 4.28Å; V519-V538 HydrophobicContact CG2-CG2 4.01Å; V519-V547 WeakPolarHBondContact CA-O 3.43Å; V519-I548 HydrophobicContact CG2-CD1 4.43Å; V519-L554 HydrophobicContact CG2-CD1 4.31Å; V519-L554 HydrophobicContact CG2-CD2 4.07Å
520	E	93.1	Very high	89.3	Confident	93 Å²	93	54.5 Å²	54.5	44%	0.435	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	138.7	178.9	-67.4	173.9	-176.9	0	0	110.2	V522 G546 V547	E520-V522 PolarHBondContact O-N 2.95Å; E520-G546 CarbonylContact O-C 3.18Å; E520-G546 WeakPolarHBondContact O-CA 3.43Å; E520-V547 HydrophobicContact CB-CG2 4.23Å; E520-V547 PolarHBondContact N-O 2.8Å; E520-V547 PolarHBondContact O-N 2.87Å
521	D	91.4	Very high	88.8	Confident	57 Å²	57	54.7 Å²	54.7	31%	0.305	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	129	176.2	-172.5	-18.6	0	0	0	109.8	F515 N523 L524	F515-D521 HydrophobicContact CE1-CB 4.13Å; D521-N523 PolarHBondContact O-N 3.24Å; D521-N523 VanDerWaalsContact O-N 3.09Å; D521-N523 PolarHBondContact OD1-N 2.88Å; D521-N523 PolarHBondContact OD1-ND2 3Å; D521-N523 PolarHBondContact OD2-ND2 2.69Å; D521-L524 HydrophobicContact CB-CD1 4.06Å; D521-L524 WeakPolarHBondContact O-CB 3.37Å; D521-L524 PolarHBondContact O-N 2.81Å; D521-L524 VanDerWaalsContact O-N 3.09Å
522	V	88.4	Confident	88.4	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.018	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-60.5	-21.9	-178.5	80.2	0	0	0	0	113.1	I332 E520 L524 L525 L530 I544	I332-V522 HydrophobicContact CD1-CB 4.18Å; I332-V522 HydrophobicContact CD1-CG1 3.9Å; I332-V522 HydrophobicContact CD1-CG2 3.36Å; I332-V522 HydrophobicContact CG2-CG2 4.22Å; E520-V522 PolarHBondContact O-N 2.95Å; V522-L524 PolarHBondContact O-N 3.43Å; V522-L525 PolarHBondContact O-N 2.97Å; V522-L530 HydrophobicContact CG2-CD2 4.32Å; V522-I544 HydrophobicContact CB-CG2 4.42Å; V522-I544 HydrophobicContact CG2-CG2 4.34Å
523	N	88.1	Confident	88	Confident	76 Å²	76	54.7 Å²	54.7	41%	0.406	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-70.6	-19.1	178.4	-62.5	-54.4	0	0	0	113.5	R328 D521 L525	R328-N523 WeakPolarHBondContact CG-OD1 3.37Å; D521-N523 PolarHBondContact O-N 3.24Å; D521-N523 VanDerWaalsContact O-N 3.09Å; D521-N523 PolarHBondContact OD1-N 2.88Å; D521-N523 PolarHBondContact OD1-ND2 3Å; D521-N523 PolarHBondContact OD2-ND2 2.69Å; N523-L525 VanDerWaalsContact C-N 3.27Å
524	L	88.6	Confident	87.7	Confident	144 Å²	144	56.3 Å²	56.3	75%	0.754	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-80.4	-10.2	179.8	-69.5	158.4	0	0	0	112.9	D521 V522	D521-L524 HydrophobicContact CB-CD1 4.06Å; D521-L524 WeakPolarHBondContact O-CB 3.37Å; D521-L524 PolarHBondContact O-N 2.81Å; D521-L524 VanDerWaalsContact O-N 3.09Å; V522-L524 PolarHBondContact O-N 3.43Å
525	L	84	Confident	87.6	Confident	24 Å²	24	56.6 Å²	56.6	13%	0.126	31%	0.309	C	S	.	.	S	Bend	trans	-114.5	150.7	-167.9	-62.7	158.6	0	0	0	111.8	R328 V522 N523 E529 V547	R328-L525 PolarHBondContact NH2-O 2.97Å; V522-L525 PolarHBondContact O-N 2.97Å; N523-L525 VanDerWaalsContact C-N 3.27Å; L525-E529 WeakPolarHBondContact CA-OE2 3.46Å; L525-E529 WeakPolarHBondContact CB-OE2 3.19Å; L525-E529 HydrophobicContact CD2-CB 4.31Å; L525-E529 HydrophobicContact CD2-CG 4.37Å; L525-V547 HydrophobicContact CD1-CB 4.29Å; L525-V547 HydrophobicContact CD1-CG1 4.2Å; L525-V547 HydrophobicContact CD1-CG2 3.14Å
526	C	82.1	Confident	87.6	Confident	50 Å²	50	53.3 Å²	53.3	34%	0.338	29%	0.294	S	S	.	.			trans	-84.2	168.1	169.8	78.7	0	0	0	0	111.1	E528 E529	C526-E528 PolarHBondContact O-N 2.8Å; C526-E529 WeakPolarHBondContact CA-OE2 3.36Å; C526-E529 PolarHBondContact N-OE2 3.4Å; C526-E529 VanDerWaalsContact SG-CD 3.55Å; C526-E529 PolarHBondContact SG-OE2 2.98Å
527	G	77.2	Confident	87.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.4	-177.9	0	0	0	0	0	113.7	Q253 E529 L530	Q253-G527 CarbonylContact O-C 3.52Å; G527-E529 PolarHBondContact O-N 2.81Å; G527-L530 WeakPolarHBondContact O-CB 3.31Å; G527-L530 PolarHBondContact O-N 3.43Å
528	E	82.7	Confident	87.6	Confident	72 Å²	72	46.1 Å²	46.1	34%	0.336	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-66.8	-36.9	-175.9	-178	165.9	-176.9	0	0	112.4	Q253 T257 C526 L530 S531	Q253-E528 HydrophobicContact CG-CB 4.49Å; T257-E528 HydrophobicContact CG2-CG 4.13Å; C526-E528 PolarHBondContact O-N 2.8Å; E528-L530 PolarHBondContact O-N 3.02Å; E528-S531 WeakPolarHBondContact O-CB 3.21Å; E528-S531 PolarHBondContact O-N 3.5Å
529	E	80.2	Confident	87.7	Confident	58 Å²	58	44.5 Å²	44.5	27%	0.271	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-67	-25	-179.3	-68.8	136.4	156.9	0	0	112.8	L525 C526 G527 S531 Y532 V535	L525-E529 WeakPolarHBondContact CA-OE2 3.46Å; L525-E529 WeakPolarHBondContact CB-OE2 3.19Å; L525-E529 HydrophobicContact CD2-CB 4.31Å; L525-E529 HydrophobicContact CD2-CG 4.37Å; C526-E529 WeakPolarHBondContact CA-OE2 3.36Å; C526-E529 PolarHBondContact N-OE2 3.4Å; C526-E529 VanDerWaalsContact SG-CD 3.55Å; C526-E529 PolarHBondContact SG-OE2 2.98Å; G527-E529 PolarHBondContact O-N 2.81Å; E529-S531 PolarHBondContact O-N 3.03Å; E529-Y532 HydrophobicContact CB-CD2 4.2Å; E529-Y532 HydrophobicContact CB-CE2 4.31Å; E529-Y532 HydrophobicContact CG-CD2 4.21Å; E529-Y532 HydrophobicContact CG-CE2 3.84Å; E529-Y532 PolarHBondContact O-N 2.91Å; E529-V535 WeakPolarHBondContact O-CB 3.49Å; E529-V535 WeakPolarHBondContact O-CG2 3.4Å
530	L	80.8	Confident	87.7	Confident	19 Å²	19	44.4 Å²	44.4	10%	0.099	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-68.5	-22.1	173.2	-57.1	177	0	0	0	112.5	I332 V522 G527 E528 L537 V547 R580	I332-L530 HydrophobicContact CG2-CD1 3.86Å; V522-L530 HydrophobicContact CG2-CD2 4.32Å; G527-L530 WeakPolarHBondContact O-CB 3.31Å; G527-L530 PolarHBondContact O-N 3.43Å; E528-L530 PolarHBondContact O-N 3.02Å; L530-L537 HydrophobicContact CD2-CD2 4.08Å; L530-V547 HydrophobicContact CD2-CG1 3.64Å; L530-R580 PolarHBondContact O-NH2 3.11Å
531	S	82.1	Confident	87.6	Confident	7 Å²	7	41.4 Å²	41.4	5%	0.049	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-84.9	-17.5	-179.9	-64	0	0	0	0	112.5	G256 T257 E528 E529 R580	G256-S531 WeakPolarHBondContact CA-OG 3.21Å; T257-S531 PolarHBondContact N-OG 3.28Å; T257-S531 WeakPolarHBondContact OG1-CB 3.25Å; E528-S531 WeakPolarHBondContact O-CB 3.21Å; E528-S531 PolarHBondContact O-N 3.5Å; E529-S531 PolarHBondContact O-N 3.03Å; S531-R580 PolarHBondContact O-NH1 3.12Å; S531-R580 PolarHBondContact O-NH2 3.42Å
532	Y	86.9	Confident	87.5	Confident	103 Å²	103	39.3 Å²	39.3	40%	0.404	22%	0.216	S	C	.	.			trans	-63.2	140.2	-176.1	-72.3	-42.6	0	0	0	113.4	E529 S534 V535 R580	E529-Y532 HydrophobicContact CB-CD2 4.2Å; E529-Y532 HydrophobicContact CB-CE2 4.31Å; E529-Y532 HydrophobicContact CG-CD2 4.21Å; E529-Y532 HydrophobicContact CG-CE2 3.84Å; E529-Y532 PolarHBondContact O-N 2.91Å; Y532-S534 PolarHBondContact O-N 3.26Å; Y532-V535 PolarHBondContact O-N 2.84Å; Y532-R580 VanDerWaalsContact C-NH1 3.35Å; Y532-R580 PolarHBondContact O-NH1 2.84Å
533	P	84.6	Confident	87.7	Confident	105 Å²	105	41.3 Å²	41.3	68%	0.682	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-30	-179.9	-24	34	0	0	0	114.4	V535	P533-V535 VanDerWaalsContact C-N 3.32Å
534	S	88.4	Confident	87.9	Confident	65 Å²	65	38.8 Å²	38.8	46%	0.455	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-10	-178.3	54.3	0	0	0	0	113.6	Y532 R549	Y532-S534 PolarHBondContact O-N 3.26Å; S534-R549 WeakPolarHBondContact O-CA 3.48Å; S534-R549 VanDerWaalsContact O-O 3.11Å
535	V	91.4	Very high	88	Confident	11 Å²	11	33 Å²	33	7%	0.067	18%	0.182	C	C	.	.			trans	-101.8	129.6	-173.4	-179.6	0	0	0	0	110.2	E529 Y532 P533 V547 R549	E529-V535 WeakPolarHBondContact O-CB 3.49Å; E529-V535 WeakPolarHBondContact O-CG2 3.4Å; Y532-V535 PolarHBondContact O-N 2.84Å; P533-V535 VanDerWaalsContact C-N 3.32Å; V535-V547 HydrophobicContact CG1-CB 3.67Å; V535-V547 HydrophobicContact CG1-CG1 3.98Å; V535-V547 HydrophobicContact CG1-CG2 4.14Å; V535-R549 HydrophobicContact CG2-CG 4.29Å
536	F	93.6	Very high	88.3	Confident	13 Å²	13	31.9 Å²	31.9	6%	0.057	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.1	179	-78.6	-117.4	0	0	0	110	V547 I548 H551 M577 R580 V582	F536-V547 CarbonylContact O-C 3.55Å; F536-V547 VanDerWaalsContact O-CA 3.28Å; F536-V547 WeakPolarHBondContact O-CA 3.4Å; F536-I548 HydrophobicContact CB-CG2 4.14Å; F536-I548 PolarHBondContact N-O 2.83Å; F536-I548 PolarHBondContact O-N 2.87Å; F536-H551 HydrophobicContact CB-CB 4.37Å; F536-H551 HydrophobicContact CD1-CB 4.23Å; F536-H551 AromaticContact CD2-ND1 3.83Å; F536-H551 AromaticContact CE2-CE1 3.95Å; F536-H551 AromaticContact CE2-ND1 3.65Å; F536-H551 HydrophobicContact CG-CB 4.15Å; F536-H551 AromaticContact CZ-CE1 3.76Å; F536-H551 AromaticContact CZ-ND1 3.78Å; F536-M577 HydrophobicContact CE1-SD 3.89Å; F536-M577 HydrophobicContact CZ-CE 4.4Å; F536-M577 HydrophobicContact CZ-SD 3.97Å; F536-R580 WeakPolarHBondContact CA-O 3.42Å; F536-R580 VanDerWaalsContact CD1-C 3.49Å; F536-R580 HydrophobicContact CD1-CB 4.24Å; F536-R580 HydrophobicContact CE1-CB 4.28Å; F536-R580 HydrophobicContact CG-CB 4.39Å; F536-R580 HydrophobicContact CZ-CB 4.43Å; F536-R580 HydrophobicContact CZ-CG 4.48Å; F536-V582 HydrophobicContact CB-CG2 4.34Å; F536-V582 HydrophobicContact CD1-CG2 4.37Å
537	L	93.2	Very high	88.9	Confident	20 Å²	20	29.8 Å²	29.8	11%	0.105	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	136.2	173.1	-76.9	164.5	0	0	0	110.5	V336 L530 F539 I544 V547 R580 C581 V582	V336-L537 HydrophobicContact CG1-CD1 4.48Å; V336-L537 HydrophobicContact CG2-CD1 3.65Å; L530-L537 HydrophobicContact CD2-CD2 4.08Å; L537-F539 HydrophobicContact CB-CD2 4.31Å; L537-F539 HydrophobicContact CB-CE2 3.82Å; L537-F539 HydrophobicContact CD1-CE2 4.33Å; L537-I544 HydrophobicContact CD2-CG2 4.06Å; L537-V547 HydrophobicContact CD2-CG1 3.98Å; L537-R580 PolarHBondContact N-O 2.68Å; L537-C581 CarbonylContact O-C 3.52Å; L537-C581 WeakPolarHBondContact O-CA 3.48Å; L537-V582 PolarHBondContact O-N 3.3Å
538	V	95.2	Very high	89.7	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	115.7	175.2	-175	0	0	0	0	109.6	V519 L545 G546 I548 L554 V582 V584	V519-V538 HydrophobicContact CG1-CB 4.33Å; V519-V538 HydrophobicContact CG1-CG2 4.28Å; V519-V538 HydrophobicContact CG2-CG2 4.01Å; V538-L545 PolarHBondContact O-N 2.96Å; V538-G546 PolarHBondContact N-O 3.19Å; V538-I548 HydrophobicContact CG2-CB 4.28Å; V538-I548 HydrophobicContact CG2-CG2 3.75Å; V538-L554 HydrophobicContact CG2-CD2 4.12Å; V538-V582 WeakPolarHBondContact CA-O 3.32Å; V538-V582 HydrophobicContact CG2-CB 4.38Å; V538-V584 HydrophobicContact CG1-CG2 4.37Å
539	F	95.1	Very high	90.1	Very high	7 Å²	7	35 Å²	35	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.5	176.2	-75.5	-90.7	0	0	0	110.9	Y333 V336 L537 N543 I544 C581 V582 Y583 V584	Y333-F539 HydrophobicContact CD2-CE1 4.42Å; Y333-F539 HydrophobicContact CE2-CE1 4.13Å; V336-F539 HydrophobicContact CG1-CZ 4.36Å; L537-F539 HydrophobicContact CB-CD2 4.31Å; L537-F539 HydrophobicContact CB-CE2 3.82Å; L537-F539 HydrophobicContact CD1-CE2 4.33Å; F539-N543 CarbonylContact C-O 3.41Å; F539-N543 VanDerWaalsContact CA-O 3.29Å; F539-N543 WeakPolarHBondContact CA-O 3.33Å; F539-I544 HydrophobicContact CD1-CG1 4.02Å; F539-I544 HydrophobicContact CE1-CD1 4.19Å; F539-I544 HydrophobicContact CE1-CG1 3.45Å; F539-I544 VanDerWaalsContact CE1-CG1 3.45Å; F539-I544 HydrophobicContact CZ-CD1 4.22Å; F539-I544 HydrophobicContact CZ-CG1 3.8Å; F539-C581 HydrophobicContact CD2-CB 4.14Å; F539-C581 HydrophobicContact CE2-CB 4.18Å; F539-V582 PolarHBondContact N-O 3.14Å; F539-Y583 HydrophobicContact CB-CD1 3.69Å; F539-Y583 HydrophobicContact CB-CE1 4.06Å; F539-Y583 HydrophobicContact CD2-CD1 4.21Å; F539-Y583 AromaticContact CD2-CE1 3.83Å; F539-Y583 HydrophobicContact CD2-CE1 3.83Å; F539-Y583 HydrophobicContact CE2-CE1 4.47Å; F539-Y583 HydrophobicContact CG-CD1 4.08Å; F539-Y583 AromaticContact CG-CE1 3.93Å; F539-Y583 HydrophobicContact CG-CE1 3.93Å; F539-V584 PolarHBondContact O-N 3.31Å
540	L	94.2	Very high	90.7	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	112.7	165.9	-178.3	72.7	0	0	0	109.3	D507 I510 I511 G542 N543 L545 V584	D507-L540 HydrophobicContact CB-CD2 4.05Å; I510-L540 HydrophobicContact CB-CD1 4.43Å; I510-L540 HydrophobicContact CG2-CD1 3.68Å; I511-L540 HydrophobicContact CD1-CD2 4.05Å; I511-L540 HydrophobicContact CG1-CD2 3.51Å; L540-G542 PolarHBondContact O-N 3.43Å; L540-N543 PolarHBondContact N-O 2.99Å; L540-N543 WeakPolarHBondContact O-CB 3.23Å; L540-N543 PolarHBondContact O-N 2.99Å; L540-L545 HydrophobicContact CB-CD1 3.54Å; L540-L545 HydrophobicContact CB-CD2 4Å; L540-L545 HydrophobicContact CB-CG 3.62Å; L540-L545 HydrophobicContact CD2-CD1 4.09Å; L540-L545 HydrophobicContact CD2-CD2 4.11Å; L540-L545 HydrophobicContact CD2-CG 4.46Å; L540-L545 HydrophobicContact CG-CD1 4.33Å; L540-V584 WeakPolarHBondContact CA-O 3.43Å; L540-V584 HydrophobicContact CD1-CB 3.89Å; L540-V584 HydrophobicContact CD1-CG1 3.69Å
541	N	91.4	Very high	91.3	Very high	29 Å²	29	36.4 Å²	36.4	16%	0.155	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	32	-178.4	-59.9	-28.6	0	0	0	113.9	D507 V584 S586 D587	D507-N541 PolarHBondContact OD1-ND2 3.04Å; D507-N541 PolarHBondContact OD2-ND2 3.04Å; N541-V584 PolarHBondContact N-O 3.26Å; N541-V584 VanDerWaalsContact N-O 3.12Å; N541-S586 PolarHBondContact ND2-OG 2.8Å; N541-S586 PolarHBondContact OD1-N 2.86Å; N541-S586 PolarHBondContact OD1-OG 2.97Å; N541-D587 PolarHBondContact OD1-N 3.34Å; N541-D587 VanDerWaalsContact OD1-N 3.15Å
542	G	88.8	Confident	91.8	Very high	14 Å²	14	44 Å²	44	14%	0.144	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-4.8	-177.5	0	0	0	0	0	115.6	N187 Y333 L540	N187-G542 VanDerWaalsContact O-CA 3.29Å; N187-G542 WeakPolarHBondContact O-CA 3.35Å; Y333-G542 WeakPolarHBondContact CE2-O 2.94Å; L540-G542 PolarHBondContact O-N 3.43Å
543	N	92.2	Very high	92.2	Very high	45 Å²	45	45.8 Å²	45.8	24%	0.241	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	140.1	169.2	-68.6	-30.8	0	0	0	110.2	H319 F539 L540 L545	H319-N543 PolarHBondContact CD2-OD1 2.74Å; H319-N543 PolarHBondContact O-OD1 3.47Å; F539-N543 CarbonylContact C-O 3.41Å; F539-N543 VanDerWaalsContact CA-O 3.29Å; F539-N543 WeakPolarHBondContact CA-O 3.33Å; L540-N543 PolarHBondContact N-O 2.99Å; L540-N543 WeakPolarHBondContact O-CB 3.23Å; L540-N543 PolarHBondContact O-N 2.99Å; N543-L545 PolarHBondContact O-N 2.94Å
544	I	92.3	Very high	92.7	Very high	23 Å²	23	41.1 Å²	41.1	12%	0.118	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	117.1	173.7	-61.7	170.9	0	0	0	107.3	I332 Y333 V336 V522 L537 F539	I332-I544 HydrophobicContact CG2-CD1 3.89Å; Y333-I544 HydrophobicContact CD2-CD1 4.04Å; Y333-I544 HydrophobicContact CD2-CG1 4.19Å; V336-I544 HydrophobicContact CG2-CD1 4.34Å; V522-I544 HydrophobicContact CB-CG2 4.42Å; V522-I544 HydrophobicContact CG2-CG2 4.34Å; L537-I544 HydrophobicContact CD2-CG2 4.06Å; F539-I544 HydrophobicContact CD1-CG1 4.02Å; F539-I544 HydrophobicContact CE1-CD1 4.19Å; F539-I544 HydrophobicContact CE1-CG1 3.45Å; F539-I544 VanDerWaalsContact CE1-CG1 3.45Å; F539-I544 HydrophobicContact CZ-CD1 4.22Å; F539-I544 HydrophobicContact CZ-CG1 3.8Å
545	L	91.1	Very high	93	Very high	23 Å²	23	38.3 Å²	38.3	12%	0.12	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-41.2	173.4	-69.5	-176.1	0	0	0	111.3	I511 A514 V538 L540 N543	I511-L545 HydrophobicContact CG1-CD2 3.98Å; A514-L545 HydrophobicContact CB-CD1 4.13Å; V538-L545 PolarHBondContact O-N 2.96Å; L540-L545 HydrophobicContact CB-CD1 3.54Å; L540-L545 HydrophobicContact CB-CD2 4Å; L540-L545 HydrophobicContact CB-CG 3.62Å; L540-L545 HydrophobicContact CD2-CD1 4.09Å; L540-L545 HydrophobicContact CD2-CD2 4.11Å; L540-L545 HydrophobicContact CD2-CG 4.46Å; L540-L545 HydrophobicContact CG-CD1 4.33Å; N543-L545 PolarHBondContact O-N 2.94Å
546	G	91.6	Very high	93.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-165.7	-169.9	0	0	0	0	0	112.8	E520 V538	E520-G546 CarbonylContact O-C 3.18Å; E520-G546 WeakPolarHBondContact O-CA 3.43Å; V538-G546 PolarHBondContact N-O 3.19Å
547	V	93.1	Very high	93.2	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	161.2	175.8	-57.5	0	0	0	0	111.5	V519 E520 L525 L530 V535 F536 L537	V519-V547 WeakPolarHBondContact CA-O 3.43Å; E520-V547 HydrophobicContact CB-CG2 4.23Å; E520-V547 PolarHBondContact N-O 2.8Å; E520-V547 PolarHBondContact O-N 2.87Å; L525-V547 HydrophobicContact CD1-CB 4.29Å; L525-V547 HydrophobicContact CD1-CG1 4.2Å; L525-V547 HydrophobicContact CD1-CG2 3.14Å; L530-V547 HydrophobicContact CD2-CG1 3.64Å; V535-V547 HydrophobicContact CG1-CB 3.67Å; V535-V547 HydrophobicContact CG1-CG1 3.98Å; V535-V547 HydrophobicContact CG1-CG2 4.14Å; F536-V547 CarbonylContact O-C 3.55Å; F536-V547 VanDerWaalsContact O-CA 3.28Å; F536-V547 WeakPolarHBondContact O-CA 3.4Å; L537-V547 HydrophobicContact CD2-CG1 3.98Å
548	I	94.7	Very high	93.3	Very high	11 Å²	11	42.8 Å²	42.8	6%	0.056	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	146.5	173.1	-166.8	167.8	0	0	0	111.3	V519 F536 V538 D550 H551 L554	V519-I548 HydrophobicContact CG2-CD1 4.43Å; F536-I548 HydrophobicContact CB-CG2 4.14Å; F536-I548 PolarHBondContact N-O 2.83Å; F536-I548 PolarHBondContact O-N 2.87Å; V538-I548 HydrophobicContact CG2-CB 4.28Å; V538-I548 HydrophobicContact CG2-CG2 3.75Å; I548-D550 WeakPolarHBondContact CD1-O 3.41Å; I548-H551 HydrophobicContact CG2-CB 4.34Å; I548-L554 HydrophobicContact CD1-CB 3.46Å; I548-L554 VanDerWaalsContact CD1-CB 3.46Å; I548-L554 HydrophobicContact CD1-CD1 4.33Å; I548-L554 HydrophobicContact CD1-CD2 3.65Å; I548-L554 HydrophobicContact CD1-CG 3.99Å; I548-L554 HydrophobicContact CG2-CD2 4.15Å
549	R	90.4	Very high	93.3	Very high	172 Å²	172	44.2 Å²	44.2	65%	0.649	21%	0.206	S	C	*	.	S	Bend	trans	-86.3	-51.5	173	-63.7	-179.7	-175.2	-173.8	1.1	112.2	S534 V535 H551	S534-R549 WeakPolarHBondContact O-CA 3.48Å; S534-R549 VanDerWaalsContact O-O 3.11Å; V535-R549 HydrophobicContact CG2-CG 4.29Å; R549-H551 PolarHBondContact O-N 2.81Å
550	D	93.1	Very high	93.2	Very high	84 Å²	84	48.2 Å²	48.2	45%	0.449	23%	0.227	S	C	.	.			trans	-94.9	80.1	179.3	-171.9	-2.8	0	0	0	112.1	I548 R552 K553 L554	I548-D550 WeakPolarHBondContact CD1-O 3.41Å; D550-R552 VanDerWaalsContact C-N 3.29Å; D550-R552 PolarHBondContact O-N 3.03Å; D550-R552 PolarHBondContact OD1-N 2.83Å; D550-K553 HydrophobicContact CB-CB 4.4Å; D550-K553 VanDerWaalsContact CG-CB 3.48Å; D550-K553 PolarHBondContact OD1-N 3.4Å; D550-K553 VanDerWaalsContact OD1-N 3.08Å; D550-K553 WeakPolarHBondContact OD2-CB 3.43Å; D550-L554 PolarHBondContact O-N 3.33Å
551	H	94.1	Very high	93.2	Very high	22 Å²	22	50.6 Å²	50.6	10%	0.102	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-31.8	177.7	66.5	-80.9	0	0	0	112.9	F536 I548 R549 L554 V555 V582	F536-H551 HydrophobicContact CB-CB 4.37Å; F536-H551 HydrophobicContact CD1-CB 4.23Å; F536-H551 AromaticContact CD2-ND1 3.83Å; F536-H551 AromaticContact CE2-CE1 3.95Å; F536-H551 AromaticContact CE2-ND1 3.65Å; F536-H551 HydrophobicContact CG-CB 4.15Å; F536-H551 AromaticContact CZ-CE1 3.76Å; F536-H551 AromaticContact CZ-ND1 3.78Å; I548-H551 HydrophobicContact CG2-CB 4.34Å; R549-H551 PolarHBondContact O-N 2.81Å; H551-L554 PolarHBondContact O-N 3.15Å; H551-V555 WeakPolarHBondContact O-CB 3.44Å; H551-V555 WeakPolarHBondContact O-CG2 3.46Å; H551-V555 PolarHBondContact O-N 3.1Å; H551-V582 HydrophobicContact CB-CG2 3.78Å
552	R	93.4	Very high	93.3	Very high	165 Å²	165	49.6 Å²	49.6	62%	0.623	23%	0.233	S	C	*	.	H	α-helix	trans	-66.9	-45.2	-176.8	-66.9	-175.8	-179.5	173.6	-1.2	111	D550 V555 N556	D550-R552 VanDerWaalsContact C-N 3.29Å; D550-R552 PolarHBondContact O-N 3.03Å; D550-R552 PolarHBondContact OD1-N 2.83Å; R552-V555 PolarHBondContact O-N 3.19Å; R552-N556 WeakPolarHBondContact O-CB 3.32Å; R552-N556 VanDerWaalsContact O-CG 3.28Å; R552-N556 PolarHBondContact O-N 2.82Å; R552-N556 PolarHBondContact O-ND2 2.97Å
553	K	94.6	Very high	93.6	Very high	142 Å²	142	51.1 Å²	51.1	62%	0.617	23%	0.234	S	C	*	.	H	α-helix	trans	-63.5	-42.1	176.8	-175	177.8	-178.8	-178	0	111.7	D550 T557	D550-K553 HydrophobicContact CB-CB 4.4Å; D550-K553 VanDerWaalsContact CG-CB 3.48Å; D550-K553 PolarHBondContact OD1-N 3.4Å; D550-K553 VanDerWaalsContact OD1-N 3.08Å; D550-K553 WeakPolarHBondContact OD2-CB 3.43Å; K553-T557 VanDerWaalsContact O-CB 3.24Å; K553-T557 WeakPolarHBondContact O-CB 3.44Å; K553-T557 PolarHBondContact O-N 2.95Å; K553-T557 PolarHBondContact O-OG1 3.05Å
554	L	94.8	Very high	93.6	Very high	7 Å²	7	51.9 Å²	51.9	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-57.6	-54.1	175	172.7	68.9	0	0	0	111.1	L517 V519 V538 I548 D550 H551 N556 T557 F558 V582	L517-L554 HydrophobicContact CB-CD1 3.6Å; L517-L554 HydrophobicContact CD1-CD1 3.81Å; L517-L554 HydrophobicContact CG-CD1 4.36Å; V519-L554 HydrophobicContact CG2-CD1 4.31Å; V519-L554 HydrophobicContact CG2-CD2 4.07Å; V538-L554 HydrophobicContact CG2-CD2 4.12Å; I548-L554 HydrophobicContact CD1-CB 3.46Å; I548-L554 VanDerWaalsContact CD1-CB 3.46Å; I548-L554 HydrophobicContact CD1-CD1 4.33Å; I548-L554 HydrophobicContact CD1-CD2 3.65Å; I548-L554 HydrophobicContact CD1-CG 3.99Å; I548-L554 HydrophobicContact CG2-CD2 4.15Å; D550-L554 PolarHBondContact O-N 3.33Å; H551-L554 PolarHBondContact O-N 3.15Å; L554-N556 PolarHBondContact O-N 2.85Å; L554-T557 PolarHBondContact O-N 3.01Å; L554-F558 WeakPolarHBondContact O-CB 3.5Å; L554-F558 PolarHBondContact O-N 3.48Å; L554-V582 HydrophobicContact CD2-CG1 4.49Å
555	V	95.2	Very high	93.5	Very high	5 Å²	5	53 Å²	53	3%	0.03	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-46.6	-175.5	173.1	0	0	0	0	111.5	H551 R552 F558 R559 I573 T575 V582	H551-V555 WeakPolarHBondContact O-CB 3.44Å; H551-V555 WeakPolarHBondContact O-CG2 3.46Å; H551-V555 PolarHBondContact O-N 3.1Å; R552-V555 PolarHBondContact O-N 3.19Å; V555-F558 PolarHBondContact O-N 3.12Å; V555-R559 WeakPolarHBondContact O-CB 3.48Å; V555-R559 WeakPolarHBondContact O-CG 3.33Å; V555-R559 PolarHBondContact O-N 3.36Å; V555-I573 HydrophobicContact CB-CD1 4.41Å; V555-I573 HydrophobicContact CG1-CG2 4.24Å; V555-I573 HydrophobicContact CG2-CD1 3.94Å; V555-I573 HydrophobicContact CG2-CG1 4.15Å; V555-T575 HydrophobicContact CB-CG2 4.47Å; V555-T575 HydrophobicContact CG2-CG2 3.48Å; V555-T575 VanDerWaalsContact CG2-CG2 3.48Å; V555-V582 HydrophobicContact CG2-CG1 4.02Å
556	N	93.8	Very high	93.5	Very high	92 Å²	92	59.2 Å²	59.2	49%	0.492	29%	0.29	S	S	.	.	H	α-helix	trans	-64.8	-44.3	179.8	-71.4	-21	0	0	0	111.9	R552 L554 R559 L560	R552-N556 WeakPolarHBondContact O-CB 3.32Å; R552-N556 VanDerWaalsContact O-CG 3.28Å; R552-N556 PolarHBondContact O-N 2.82Å; R552-N556 PolarHBondContact O-ND2 2.97Å; L554-N556 PolarHBondContact O-N 2.85Å; N556-R559 PolarHBondContact O-N 3.15Å; N556-L560 VanDerWaalsContact O-CG 3.27Å; N556-L560 WeakPolarHBondContact O-CG 3.31Å; N556-L560 PolarHBondContact O-N 2.95Å
557	T	95.5	Very high	93.5	Very high	44 Å²	44	60.3 Å²	60.3	27%	0.27	30%	0.296	S	S	.	.	H	α-helix	trans	-66.8	-41.3	178.6	-50.5	0	0	0	0	110.7	L517 K553 L554 R559 L560 M561	L517-T557 HydrophobicContact CD2-CG2 3.66Å; K553-T557 VanDerWaalsContact O-CB 3.24Å; K553-T557 WeakPolarHBondContact O-CB 3.44Å; K553-T557 PolarHBondContact O-N 2.95Å; K553-T557 PolarHBondContact O-OG1 3.05Å; L554-T557 PolarHBondContact O-N 3.01Å; T557-R559 PolarHBondContact O-N 3.1Å; T557-L560 PolarHBondContact O-N 2.89Å; T557-M561 HydrophobicContact CG2-CG 4.49Å; T557-M561 VanDerWaalsContact O-CG 3.3Å; T557-M561 WeakPolarHBondContact O-CG 3.42Å; T557-M561 PolarHBondContact O-N 3.21Å
558	F	95.3	Very high	93.5	Very high	3 Å²	3	62.4 Å²	62.4	1%	0.013	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-45.5	177.6	-165	-82.6	0	0	0	111.7	I510 L513 L517 L554 V555 L560 M561 R562 I567 V571 I573 V584	I510-F558 HydrophobicContact CG2-CE2 4.21Å; I510-F558 HydrophobicContact CG2-CZ 4.04Å; L513-F558 HydrophobicContact CD2-CD2 3.89Å; L513-F558 HydrophobicContact CD2-CE2 3.85Å; L517-F558 HydrophobicContact CD1-CB 4.4Å; L517-F558 HydrophobicContact CD1-CD2 4.14Å; L554-F558 WeakPolarHBondContact O-CB 3.5Å; L554-F558 PolarHBondContact O-N 3.48Å; V555-F558 PolarHBondContact O-N 3.12Å; F558-L560 VanDerWaalsContact C-N 3.34Å; F558-L560 PolarHBondContact O-N 3.28Å; F558-M561 PolarHBondContact O-N 2.99Å; F558-R562 PolarHBondContact O-N 2.97Å; F558-I567 HydrophobicContact CD1-CD1 4.27Å; F558-I567 HydrophobicContact CD2-CD1 4.2Å; F558-I567 HydrophobicContact CE1-CD1 3.83Å; F558-I567 HydrophobicContact CE2-CD1 3.77Å; F558-I567 HydrophobicContact CG-CD1 4.44Å; F558-I567 HydrophobicContact CZ-CD1 3.56Å; F558-V571 HydrophobicContact CE1-CG1 3.77Å; F558-V571 HydrophobicContact CZ-CG1 3.87Å; F558-I573 HydrophobicContact CB-CD1 4Å; F558-I573 HydrophobicContact CD1-CB 4.23Å; F558-I573 HydrophobicContact CD1-CD1 4.04Å; F558-I573 HydrophobicContact CD1-CG2 4.06Å; F558-I573 HydrophobicContact CG-CD1 3.94Å; F558-V584 HydrophobicContact CE1-CG1 4.46Å; F558-V584 HydrophobicContact CZ-CG1 4.01Å
559	R	94.4	Very high	93.3	Very high	30 Å²	30	64 Å²	64	11%	0.113	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-40.1	174	-73.2	178.7	177.4	149.2	10.3	111.9	V555 N556 T557 R562 R563 I573 E636 D639	V555-R559 WeakPolarHBondContact O-CB 3.48Å; V555-R559 WeakPolarHBondContact O-CG 3.33Å; V555-R559 PolarHBondContact O-N 3.36Å; N556-R559 PolarHBondContact O-N 3.15Å; T557-R559 PolarHBondContact O-N 3.1Å; R559-R562 WeakPolarHBondContact O-CB 3.39Å; R559-R562 PolarHBondContact O-N 2.82Å; R559-R563 WeakPolarHBondContact O-CB 3.38Å; R559-R563 WeakPolarHBondContact O-CG 3.49Å; R559-R563 PolarHBondContact O-N 3.46Å; R559-I573 HydrophobicContact CG-CG2 3.72Å; R559-I573 PolarHBondContact NH2-O 3.5Å; R559-E636 IonicContact CZ-OE1 3.26Å; R559-E636 IonicContact NE-OE1 2.89Å; R559-E636 PolarHBondContact NE-OE1 3.05Å; R559-E636 IonicContact NH2-OE1 3.23Å; R559-D639 IonicContact NH2-OD2 2.75Å; R559-D639 PolarHBondContact NH2-OD2 3.38Å; R559-D639 VanDerWaalsContact NH2-OD2 3.1Å
560	L	93.7	Very high	93.5	Very high	91 Å²	91	56.4 Å²	56.4	48%	0.476	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-42.2	175.6	-72.8	168.2	0	0	0	112.3	N556 T557 F558 R562 R563 A564	N556-L560 VanDerWaalsContact O-CG 3.27Å; N556-L560 WeakPolarHBondContact O-CG 3.31Å; N556-L560 PolarHBondContact O-N 2.95Å; T557-L560 PolarHBondContact O-N 2.89Å; F558-L560 VanDerWaalsContact C-N 3.34Å; F558-L560 PolarHBondContact O-N 3.28Å; L560-R562 VanDerWaalsContact C-N 3.31Å; L560-R562 PolarHBondContact O-N 2.82Å; L560-R563 PolarHBondContact O-N 2.77Å; L560-A564 WeakPolarHBondContact O-CB 3.23Å; L560-A564 PolarHBondContact O-N 2.79Å
561	M	94.1	Very high	93.6	Very high	56 Å²	56	52.5 Å²	52.5	28%	0.276	27%	0.265	S	S	.	.	H	α-helix	trans	-63.7	-37.8	176.1	-67	-60.7	-72.7	0	0	111.9	L513 T557 F558 G565 F566 I567	L513-M561 HydrophobicContact CD2-CB 4.47Å; T557-M561 HydrophobicContact CG2-CG 4.49Å; T557-M561 VanDerWaalsContact O-CG 3.3Å; T557-M561 WeakPolarHBondContact O-CG 3.42Å; T557-M561 PolarHBondContact O-N 3.21Å; F558-M561 PolarHBondContact O-N 2.99Å; M561-G565 PolarHBondContact O-N 2.6Å; M561-F566 HydrophobicContact CE-CB 3.99Å; M561-F566 HydrophobicContact CE-CD1 4.47Å; M561-F566 HydrophobicContact CE-CD2 3.54Å; M561-F566 HydrophobicContact CE-CE2 4.1Å; M561-F566 HydrophobicContact CE-CG 3.75Å; M561-F566 PolarHBondContact O-N 2.98Å; M561-F566 VanDerWaalsContact O-N 3.11Å; M561-F566 HydrophobicContact SD-CD2 3.98Å; M561-F566 HydrophobicContact SD-CE2 4.36Å; M561-I567 HydrophobicContact CB-CD1 4.32Å
562	R	94.4	Very high	93.6	Very high	8 Å²	8	51.6 Å²	51.6	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-49.3	172.2	-176.1	-178.6	72.1	-167.8	-1	111.6	F558 R559 L560 A564 G565 V571 E630 E636	F558-R562 PolarHBondContact O-N 2.97Å; R559-R562 WeakPolarHBondContact O-CB 3.39Å; R559-R562 PolarHBondContact O-N 2.82Å; L560-R562 VanDerWaalsContact C-N 3.31Å; L560-R562 PolarHBondContact O-N 2.82Å; R562-A564 PolarHBondContact O-N 2.93Å; R562-G565 PolarHBondContact O-N 3.34Å; R562-V571 VanDerWaalsContact CD-O 3.28Å; R562-V571 WeakPolarHBondContact CD-O 3.46Å; R562-V571 PolarHBondContact NH1-O 2.78Å; R562-E630 IonicContact CZ-OE2 2.7Å; R562-E630 IonicContact NE-OE2 3.79Å; R562-E630 IonicContact NH2-OE2 3.63Å; R562-E630 PolarHBondContact NH2-OE2 3.33Å; R562-E636 IonicContact CZ-OE1 2.72Å; R562-E636 IonicContact CZ-OE2 3.68Å; R562-E636 IonicContact NH1-OE1 3.06Å; R562-E636 PolarHBondContact NH1-OE1 3.44Å; R562-E636 IonicContact NH1-OE2 3.45Å; R562-E636 PolarHBondContact NH1-OE2 2.63Å; R562-E636 IonicContact NH2-OE1 3.4Å; R562-E636 PolarHBondContact NH2-OE1 2.86Å; R562-E636 IonicContact NH2-OE2 3.74Å
563	R	93.6	Very high	93.8	Very high	46 Å²	46	43.7 Å²	43.7	17%	0.174	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-25.7	-180	-71.5	167.5	-179.2	179.7	-6.8	113.6	R559 L560 G565 I597 E630	R559-R563 WeakPolarHBondContact O-CB 3.38Å; R559-R563 WeakPolarHBondContact O-CG 3.49Å; R559-R563 PolarHBondContact O-N 3.46Å; L560-R563 PolarHBondContact O-N 2.77Å; R563-G565 VanDerWaalsContact C-N 3.33Å; R563-I597 HydrophobicContact CG-CD1 4.06Å; R563-E630 WeakPolarHBondContact CG-OE2 3.4Å; R563-E630 IonicContact CZ-OE1 2.69Å; R563-E630 IonicContact NE-OE1 3.6Å; R563-E630 PolarHBondContact NE-OE1 2.93Å; R563-E630 IonicContact NE-OE2 3.96Å; R563-E630 PolarHBondContact NE-OE2 2.98Å; R563-E630 IonicContact NH2-OE1 2.99Å; R563-E630 PolarHBondContact NH2-OE1 2.92Å
564	A	92.8	Very high	93.8	Very high	60 Å²	60	37.4 Å²	37.4	50%	0.496	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	1.1	174.5	0	0	0	0	0	113.7	L560 R562 F566	L560-A564 WeakPolarHBondContact O-CB 3.23Å; L560-A564 PolarHBondContact O-N 2.79Å; R562-A564 PolarHBondContact O-N 2.93Å; A564-F566 HydrophobicContact CB-CD2 3.82Å; A564-F566 HydrophobicContact CB-CE2 3.81Å
565	G	89.9	Confident	93.8	Very high	48 Å²	48	38.7 Å²	38.7	50%	0.495	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	9.3	175.8	0	0	0	0	0	116.1	M561 R562 R563	M561-G565 PolarHBondContact O-N 2.6Å; R562-G565 PolarHBondContact O-N 3.34Å; R563-G565 VanDerWaalsContact C-N 3.33Å
566	F	91	Very high	93.6	Very high	152 Å²	152	40.4 Å²	40.4	67%	0.667	22%	0.222	S	C	*	.	S	Bend	trans	-74.1	-31.1	177.5	-67.7	-72.8	0	0	0	113.1	M561 A564	M561-F566 HydrophobicContact CE-CB 3.99Å; M561-F566 HydrophobicContact CE-CD1 4.47Å; M561-F566 HydrophobicContact CE-CD2 3.54Å; M561-F566 HydrophobicContact CE-CE2 4.1Å; M561-F566 HydrophobicContact CE-CG 3.75Å; M561-F566 PolarHBondContact O-N 2.98Å; M561-F566 VanDerWaalsContact O-N 3.11Å; M561-F566 HydrophobicContact SD-CD2 3.98Å; M561-F566 HydrophobicContact SD-CE2 4.36Å; A564-F566 HydrophobicContact CB-CD2 3.82Å; A564-F566 HydrophobicContact CB-CE2 3.81Å
567	I	91.6	Very high	93.4	Very high	23 Å²	23	40.7 Å²	40.7	12%	0.118	22%	0.222	C	C	.	.	S	Bend	trans	-116.6	148.7	173.6	-48.2	170.6	0	0	0	106.5	I510 L513 F558 M561 E569 V571	I510-I567 HydrophobicContact CG1-CG2 4.5Å; L513-I567 HydrophobicContact CD2-CD1 3.15Å; L513-I567 HydrophobicContact CD2-CG1 3.88Å; F558-I567 HydrophobicContact CD1-CD1 4.27Å; F558-I567 HydrophobicContact CD2-CD1 4.2Å; F558-I567 HydrophobicContact CE1-CD1 3.83Å; F558-I567 HydrophobicContact CE2-CD1 3.77Å; F558-I567 HydrophobicContact CG-CD1 4.44Å; F558-I567 HydrophobicContact CZ-CD1 3.56Å; M561-I567 HydrophobicContact CB-CD1 4.32Å; I567-E569 PolarHBondContact O-N 2.87Å; I567-V571 HydrophobicContact CG2-CB 4.09Å; I567-V571 HydrophobicContact CG2-CG2 3.7Å
568	N	92.3	Very high	92.9	Very high	50 Å²	50	42.7 Å²	42.7	27%	0.267	23%	0.234	S	C	.	.			trans	-56.5	139.6	172.4	-172.7	-77.9	0	0	0	112	M505 F570 V571	M505-N568 HydrophobicContact CE-CB 3.51Å; M505-N568 VanDerWaalsContact CE-ND2 3.32Å; M505-N568 WeakPolarHBondContact CE-ND2 3.2Å; N568-F570 PolarHBondContact O-N 3.02Å; N568-F570 WeakPolarHBondContact OD1-CB 3.28Å; N568-F570 WeakPolarHBondContact OD1-CD2 3.18Å; N568-F570 PolarHBondContact OD1-N 3.4Å; N568-V571 PolarHBondContact O-N 2.95Å
569	E	91.8	Very high	92.4	Very high	43 Å²	43	44.1 Å²	44.1	20%	0.201	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.4	-176.4	66.9	-81	-170.3	0	0	114.7	I567 Y631	I567-E569 PolarHBondContact O-N 2.87Å; E569-Y631 HydrophobicContact CB-CD2 4.4Å; E569-Y631 HydrophobicContact CG-CD2 3.78Å; E569-Y631 HydrophobicContact CG-CE2 4.14Å
570	F	93.6	Very high	92.2	Very high	13 Å²	13	44.8 Å²	44.8	6%	0.057	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.2	-179.5	-60.9	-56.4	0	0	0	114.6	H500 T502 N568 S572 R590 Y631	H500-F570 AromaticContact CE1-CE1 3.42Å; H500-F570 VanDerWaalsContact CE1-CE1 3.42Å; H500-F570 WeakPolarHBondContact CE1-CE1 3.38Å; H500-F570 AromaticContact CE1-CE2 3.75Å; H500-F570 AromaticContact CE1-CZ 3.19Å; H500-F570 WeakPolarHBondContact CE1-CZ 3.49Å; H500-F570 AromaticContact CG-CE1 4Å; H500-F570 AromaticContact ND1-CD1 3.88Å; H500-F570 AromaticContact ND1-CE1 3.22Å; H500-F570 WeakPolarHBondContact ND1-CE1 3.4Å; H500-F570 AromaticContact ND1-CZ 3.53Å; H500-F570 AromaticContact NE2-CZ 3.76Å; T502-F570 HydrophobicContact CG2-CB 3.87Å; T502-F570 HydrophobicContact CG2-CD1 4.12Å; T502-F570 HydrophobicContact CG2-CG 4.11Å; N568-F570 PolarHBondContact O-N 3.02Å; N568-F570 WeakPolarHBondContact OD1-CB 3.28Å; N568-F570 WeakPolarHBondContact OD1-CD2 3.18Å; N568-F570 PolarHBondContact OD1-N 3.4Å; F570-S572 PolarHBondContact O-N 2.96Å; F570-R590 PolarHBondContact O-NH1 3.35Å; F570-R590 VanDerWaalsContact O-NH1 3.11Å; F570-R590 PolarHBondContact O-NH2 3.39Å; F570-Y631 HydrophobicContact CD1-CD2 4.08Å; F570-Y631 HydrophobicContact CD1-CG 4.22Å; F570-Y631 HydrophobicContact CE1-CD1 4.31Å; F570-Y631 AromaticContact CE1-CD2 3.52Å; F570-Y631 HydrophobicContact CE1-CD2 3.52Å; F570-Y631 HydrophobicContact CE1-CE1 4.48Å; F570-Y631 AromaticContact CE1-CE2 3.69Å; F570-Y631 HydrophobicContact CE1-CE2 3.69Å; F570-Y631 AromaticContact CE1-CG 3.85Å; F570-Y631 HydrophobicContact CE1-CG 3.85Å; F570-Y631 HydrophobicContact CZ-CD2 4.24Å; F570-Y631 HydrophobicContact CZ-CE2 4.04Å
571	V	94.9	Very high	92.2	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.012	22%	0.223	C	C	.	.			trans	-71.4	112.5	177.5	-177.8	0	0	0	0	108.3	I510 F558 R562 I567 N568 V584	I510-V571 HydrophobicContact CD1-CG1 4Å; I510-V571 HydrophobicContact CD1-CG2 3.8Å; F558-V571 HydrophobicContact CE1-CG1 3.77Å; F558-V571 HydrophobicContact CZ-CG1 3.87Å; R562-V571 VanDerWaalsContact CD-O 3.28Å; R562-V571 WeakPolarHBondContact CD-O 3.46Å; R562-V571 PolarHBondContact NH1-O 2.78Å; I567-V571 HydrophobicContact CG2-CB 4.09Å; I567-V571 HydrophobicContact CG2-CG2 3.7Å; N568-V571 PolarHBondContact O-N 2.95Å; V571-V584 HydrophobicContact CG1-CG1 3.83Å
572	S	95.5	Very high	92.2	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	144.9	179	66.3	0	0	0	0	110.9	F570 V584 S585 R590 D633 E636	F570-S572 PolarHBondContact O-N 2.96Å; S572-V584 WeakPolarHBondContact O-CA 3.25Å; S572-S585 PolarHBondContact N-O 3.05Å; S572-S585 PolarHBondContact O-N 3.49Å; S572-R590 PolarHBondContact OG-NH1 2.93Å; S572-D633 PolarHBondContact OG-OD2 3.34Å; S572-E636 WeakPolarHBondContact CA-OE2 3.38Å; S572-E636 WeakPolarHBondContact CB-OE2 3.49Å
573	I	96.1	Very high	92.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	125.2	174.4	-171.8	165.2	0	0	0	109.4	V555 F558 R559 V582 Y583 V584 E636	V555-I573 HydrophobicContact CB-CD1 4.41Å; V555-I573 HydrophobicContact CG1-CG2 4.24Å; V555-I573 HydrophobicContact CG2-CD1 3.94Å; V555-I573 HydrophobicContact CG2-CG1 4.15Å; F558-I573 HydrophobicContact CB-CD1 4Å; F558-I573 HydrophobicContact CD1-CB 4.23Å; F558-I573 HydrophobicContact CD1-CD1 4.04Å; F558-I573 HydrophobicContact CD1-CG2 4.06Å; F558-I573 HydrophobicContact CG-CD1 3.94Å; R559-I573 HydrophobicContact CG-CG2 3.72Å; R559-I573 PolarHBondContact NH2-O 3.5Å; I573-V582 HydrophobicContact CD1-CG1 3.96Å; I573-V582 HydrophobicContact CG1-CG1 3.86Å; I573-Y583 CarbonylContact C-O 3.51Å; I573-Y583 VanDerWaalsContact CA-O 3.29Å; I573-Y583 WeakPolarHBondContact CA-O 3.36Å; I573-V584 HydrophobicContact CD1-CG2 3.99Å; I573-V584 HydrophobicContact CG1-CG2 4.13Å; I573-E636 PolarHBondContact N-OE2 3.25Å; I573-E636 WeakPolarHBondContact O-CG 3.19Å
574	S	95.4	Very high	92.4	Very high	10 Å²	10	36.9 Å²	36.9	7%	0.07	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	152.3	178.3	74.7	0	0	0	0	113.8	V582 Y583 N635 D639	S574-V582 CarbonylContact O-C 3.45Å; S574-V582 WeakPolarHBondContact O-CA 3.48Å; S574-Y583 PolarHBondContact N-O 3.22Å; S574-Y583 PolarHBondContact O-N 3.43Å; S574-N635 WeakPolarHBondContact CB-O 3.38Å; S574-D639 WeakPolarHBondContact CA-OD2 3.31Å
575	T	94.7	Very high	92.5	Very high	34 Å²	34	34.4 Å²	34.4	21%	0.209	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.9	-179	53.3	0	0	0	0	111.5	V555 V582 D639	V555-T575 HydrophobicContact CB-CG2 4.47Å; V555-T575 HydrophobicContact CG2-CG2 3.48Å; V555-T575 VanDerWaalsContact CG2-CG2 3.48Å; T575-V582 HydrophobicContact CG2-CG2 4.34Å; T575-D639 PolarHBondContact N-OD1 3.18Å; T575-D639 PolarHBondContact N-OD2 3.1Å; T575-D639 VanDerWaalsContact O-OD1 3.14Å; T575-D639 PolarHBondContact OG1-OD1 2.73Å; T575-D639 PolarHBondContact OG1-OD2 3.21Å
576	N	91.5	Very high	92.7	Very high	40 Å²	40	32.1 Å²	32.1	21%	0.214	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	104.4	170.1	-175.6	-15.5	0	0	0	109.3	T578 D579 R580 C581 Y583	N576-T578 VanDerWaalsContact C-N 3.25Å; N576-T578 PolarHBondContact O-N 3Å; N576-T578 PolarHBondContact OD1-N 3.3Å; N576-T578 PolarHBondContact OD1-OG1 2.91Å; N576-D579 PolarHBondContact ND2-OD2 3.21Å; N576-D579 PolarHBondContact OD1-N 3.16Å; N576-R580 VanDerWaalsContact O-CA 3.32Å; N576-R580 WeakPolarHBondContact O-CA 3.49Å; N576-R580 PolarHBondContact O-N 3.34Å; N576-C581 PolarHBondContact N-O 3.33Å; N576-C581 PolarHBondContact O-N 3.24Å; N576-Y583 HydrophobicContact CB-CE2 4.02Å
577	M	89.2	Confident	92.7	Very high	99 Å²	99	26.5 Å²	26.5	49%	0.488	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-28.6	-179.8	-59.5	-60.3	-87.7	0	0	112.5	F536	F536-M577 HydrophobicContact CE1-SD 3.89Å; F536-M577 HydrophobicContact CZ-CE 4.4Å; F536-M577 HydrophobicContact CZ-SD 3.97Å
578	T	85.3	Confident	92.6	Very high	86 Å²	86	25.7 Å²	25.7	53%	0.528	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-38.3	-173.9	63.2	0	0	0	0	113.1	K349 N576	K349-T578 PolarHBondContact NZ-OG1 3.31Å; N576-T578 VanDerWaalsContact C-N 3.25Å; N576-T578 PolarHBondContact O-N 3Å; N576-T578 PolarHBondContact OD1-N 3.3Å; N576-T578 PolarHBondContact OD1-OG1 2.91Å
579	D	85.1	Confident	92.5	Very high	33 Å²	33	23.4 Å²	23.4	18%	0.176	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.4	172.6	-68.7	-61.7	0	0	0	112.3	R340 N576 C581	R340-D579 IonicContact CZ-OD1 2.76Å; R340-D579 IonicContact CZ-OD2 2.94Å; R340-D579 IonicContact NE-OD1 2.74Å; R340-D579 PolarHBondContact NE-OD1 3.09Å; R340-D579 IonicContact NE-OD2 3.03Å; R340-D579 IonicContact NH2-OD1 2.75Å; R340-D579 PolarHBondContact NH2-OD1 3.36Å; R340-D579 IonicContact NH2-OD2 3.79Å; R340-D579 PolarHBondContact NH2-OD2 3.08Å; N576-D579 PolarHBondContact ND2-OD2 3.21Å; N576-D579 PolarHBondContact OD1-N 3.16Å; D579-C581 PolarHBondContact O-N 3.36Å; D579-C581 PolarHBondContact O-SG 3.09Å
580	R	90.2	Very high	92.7	Very high	43 Å²	43	21.4 Å²	21.4	16%	0.162	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	51.6	-174.1	-55.7	179.3	-61.1	-176.5	1.8	113	R339 L530 S531 Y532 F536 L537 N576	R339-R580 VanDerWaalsContact NH2-NH2 3.14Å; L530-R580 PolarHBondContact O-NH2 3.11Å; S531-R580 PolarHBondContact O-NH1 3.12Å; S531-R580 PolarHBondContact O-NH2 3.42Å; Y532-R580 VanDerWaalsContact C-NH1 3.35Å; Y532-R580 PolarHBondContact O-NH1 2.84Å; F536-R580 WeakPolarHBondContact CA-O 3.42Å; F536-R580 VanDerWaalsContact CD1-C 3.49Å; F536-R580 HydrophobicContact CD1-CB 4.24Å; F536-R580 HydrophobicContact CE1-CB 4.28Å; F536-R580 HydrophobicContact CG-CB 4.39Å; F536-R580 HydrophobicContact CZ-CB 4.43Å; F536-R580 HydrophobicContact CZ-CG 4.48Å; L537-R580 PolarHBondContact N-O 2.68Å; N576-R580 VanDerWaalsContact O-CA 3.32Å; N576-R580 WeakPolarHBondContact O-CA 3.49Å; N576-R580 PolarHBondContact O-N 3.34Å
581	C	92.1	Very high	92.8	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.02	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139.5	-177.1	-64.8	0	0	0	0	110.9	L537 F539 N576 D579 Y583	L537-C581 CarbonylContact O-C 3.52Å; L537-C581 WeakPolarHBondContact O-CA 3.48Å; F539-C581 HydrophobicContact CD2-CB 4.14Å; F539-C581 HydrophobicContact CE2-CB 4.18Å; N576-C581 PolarHBondContact N-O 3.33Å; N576-C581 PolarHBondContact O-N 3.24Å; D579-C581 PolarHBondContact O-N 3.36Å; D579-C581 PolarHBondContact O-SG 3.09Å; C581-Y583 HydrophobicContact CB-CD2 4.31Å; C581-Y583 HydrophobicContact CB-CE1 4.47Å; C581-Y583 HydrophobicContact CB-CE2 3.62Å
582	V	95.9	Very high	92.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.8	164.9	-175.6	0	0	0	0	107.5	F536 L537 V538 F539 H551 L554 V555 I573 S574 T575	F536-V582 HydrophobicContact CB-CG2 4.34Å; F536-V582 HydrophobicContact CD1-CG2 4.37Å; L537-V582 PolarHBondContact O-N 3.3Å; V538-V582 WeakPolarHBondContact CA-O 3.32Å; V538-V582 HydrophobicContact CG2-CB 4.38Å; F539-V582 PolarHBondContact N-O 3.14Å; H551-V582 HydrophobicContact CB-CG2 3.78Å; L554-V582 HydrophobicContact CD2-CG1 4.49Å; V555-V582 HydrophobicContact CG2-CG1 4.02Å; I573-V582 HydrophobicContact CD1-CG1 3.96Å; I573-V582 HydrophobicContact CG1-CG1 3.86Å; S574-V582 CarbonylContact O-C 3.45Å; S574-V582 WeakPolarHBondContact O-CA 3.48Å; T575-V582 HydrophobicContact CG2-CG2 4.34Å
583	Y	95.7	Very high	92.8	Very high	25 Å²	25	21.1 Å²	21.1	10%	0.098	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.2	178.8	-65.7	-80.2	0	0	0	109.8	F539 I573 S574 N576 C581	F539-Y583 HydrophobicContact CB-CD1 3.69Å; F539-Y583 HydrophobicContact CB-CE1 4.06Å; F539-Y583 HydrophobicContact CD2-CD1 4.21Å; F539-Y583 AromaticContact CD2-CE1 3.83Å; F539-Y583 HydrophobicContact CD2-CE1 3.83Å; F539-Y583 HydrophobicContact CE2-CE1 4.47Å; F539-Y583 HydrophobicContact CG-CD1 4.08Å; F539-Y583 AromaticContact CG-CE1 3.93Å; F539-Y583 HydrophobicContact CG-CE1 3.93Å; I573-Y583 CarbonylContact C-O 3.51Å; I573-Y583 VanDerWaalsContact CA-O 3.29Å; I573-Y583 WeakPolarHBondContact CA-O 3.36Å; S574-Y583 PolarHBondContact N-O 3.22Å; S574-Y583 PolarHBondContact O-N 3.43Å; N576-Y583 HydrophobicContact CB-CE2 4.02Å; C581-Y583 HydrophobicContact CB-CD2 4.31Å; C581-Y583 HydrophobicContact CB-CE1 4.47Å; C581-Y583 HydrophobicContact CB-CE2 3.62Å
584	V	95.8	Very high	92.8	Very high	7 Å²	7	21.1 Å²	21.1	4%	0.042	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.1	168	-172.9	0	0	0	0	107.3	I510 V538 F539 L540 N541 F558 V571 S572 I573	I510-V584 HydrophobicContact CG2-CG1 3.81Å; V538-V584 HydrophobicContact CG1-CG2 4.37Å; F539-V584 PolarHBondContact O-N 3.31Å; L540-V584 WeakPolarHBondContact CA-O 3.43Å; L540-V584 HydrophobicContact CD1-CB 3.89Å; L540-V584 HydrophobicContact CD1-CG1 3.69Å; N541-V584 PolarHBondContact N-O 3.26Å; N541-V584 VanDerWaalsContact N-O 3.12Å; F558-V584 HydrophobicContact CE1-CG1 4.46Å; F558-V584 HydrophobicContact CZ-CG1 4.01Å; V571-V584 HydrophobicContact CG1-CG1 3.83Å; S572-V584 WeakPolarHBondContact O-CA 3.25Å; I573-V584 HydrophobicContact CD1-CG2 3.99Å; I573-V584 HydrophobicContact CG1-CG2 4.13Å
585	S	94.8	Very high	92.8	Very high	8 Å²	8	20.6 Å²	20.6	6%	0.056	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.6	-179.6	-52.6	0	0	0	0	110.1	S572 R590	S572-S585 PolarHBondContact N-O 3.05Å; S572-S585 PolarHBondContact O-N 3.49Å; S585-R590 PolarHBondContact O-NH2 2.78Å
586	S	93.9	Very high	92.9	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.007	10%	0.102	C	C	.	.			trans	-118.1	2.5	173.8	51.5	0	0	0	0	112.3	M505 D507 I510 N541	M505-S586 PolarHBondContact N-O 2.78Å; D507-S586 PolarHBondContact OD1-OG 2.86Å; I510-S586 VanDerWaalsContact CD1-CB 3.47Å; N541-S586 PolarHBondContact ND2-OG 2.8Å; N541-S586 PolarHBondContact OD1-N 2.86Å; N541-S586 PolarHBondContact OD1-OG 2.97Å
587	D	90.8	Very high	93.1	Very high	33 Å²	33	17.3 Å²	17.3	18%	0.176	9%	0.092	C	C	.	.			trans	-70.1	152.1	178.4	70.1	-40.6	0	0	0	113.2	R360 T502 N541 R590	R360-D587 IonicContact CZ-OD1 2.64Å; R360-D587 IonicContact CZ-OD2 3.61Å; R360-D587 IonicContact NE-OD1 2.63Å; R360-D587 IonicContact NE-OD2 2.77Å; R360-D587 PolarHBondContact NE-OD2 3.14Å; R360-D587 IonicContact NH2-OD1 3.34Å; R360-D587 PolarHBondContact NH2-OD1 3.36Å; R360-D587 VanDerWaalsContact NH2-OD1 3.16Å; R360-D587 IonicContact NH2-OD2 3.25Å; R360-D587 PolarHBondContact NH2-OD2 3.04Å; T502-D587 PolarHBondContact OG1-O 3.5Å; N541-D587 PolarHBondContact OD1-N 3.34Å; N541-D587 VanDerWaalsContact OD1-N 3.15Å; D587-R590 PolarHBondContact O-NE 3.09Å; D587-R590 PolarHBondContact O-NH2 2.83Å; D587-R590 VanDerWaalsContact OD1-CD 3.29Å; D587-R590 WeakPolarHBondContact OD1-CD 3.41Å; D587-R590 IonicContact OD1-NE 3.79Å; D587-R590 PolarHBondContact OD1-NE 2.95Å
588	G	89.2	Confident	93.4	Very high	7 Å²	7	13 Å²	13	7%	0.072	7%	0.071	C	C	.	.	S	Bend	trans	-81	162.2	179.1	0	0	0	0	0	113.6	T502 D504	T502-G588 WeakPolarHBondContact O-CA 3.27Å; T502-G588 WeakPolarHBondContact OG1-CA 3.42Å; D504-G588 VanDerWaalsContact OD1-CA 3.24Å; D504-G588 WeakPolarHBondContact OD1-CA 3.5Å; D504-G588 PolarHBondContact OD1-N 3.04Å
589	G	91.9	Very high	93.6	Very high	2 Å²	2	13.2 Å²	13.2	2%	0.021	7%	0.065	C	C	.	.	S	Bend	trans	83.8	11.6	179.6	0	0	0	0	0	114.2	R360 L361 T502	R360-G589 CarbonylContact C-O 3.59Å; R360-G589 WeakPolarHBondContact CA-O 3.45Å; L361-G589 PolarHBondContact N-O 3.22Å; L361-G589 WeakPolarHBondContact O-CA 3.37Å; T502-G589 PolarHBondContact O-N 3.48Å; T502-G589 PolarHBondContact OG1-N 2.8Å
590	R	94.9	Very high	93.7	Very high	1 Å²	1	20 Å²	20	0%	0.004	9%	0.093	C	C	.	.			trans	-81.8	151.8	172.6	-66.1	-179.9	-69.4	116.9	3.7	110.6	R360 I501 T502 F570 S572 S585 D587 D633	R360-R590 VanDerWaalsContact NE-CG 3.27Å; I501-R590 VanDerWaalsContact CA-O 3.3Å; I501-R590 WeakPolarHBondContact CA-O 3.17Å; T502-R590 HydrophobicContact CG2-CB 4.17Å; T502-R590 PolarHBondContact N-O 3.17Å; T502-R590 WeakPolarHBondContact OG1-CB 3.21Å; T502-R590 PolarHBondContact OG1-N 3.36Å; F570-R590 PolarHBondContact O-NH1 3.35Å; F570-R590 VanDerWaalsContact O-NH1 3.11Å; F570-R590 PolarHBondContact O-NH2 3.39Å; S572-R590 PolarHBondContact OG-NH1 2.93Å; S585-R590 PolarHBondContact O-NH2 2.78Å; D587-R590 PolarHBondContact O-NE 3.09Å; D587-R590 PolarHBondContact O-NH2 2.83Å; D587-R590 VanDerWaalsContact OD1-CD 3.29Å; D587-R590 WeakPolarHBondContact OD1-CD 3.41Å; D587-R590 IonicContact OD1-NE 3.79Å; D587-R590 PolarHBondContact OD1-NE 2.95Å; R590-D633 WeakPolarHBondContact CD-OD2 3.48Å; R590-D633 IonicContact NH1-OD2 3.6Å; R590-D633 PolarHBondContact NH1-OD2 3.25Å; R590-D633 VanDerWaalsContact NH1-OD2 3.14Å
591	L	95.4	Very high	93.4	Very high	8 Å²	8	18.7 Å²	18.7	4%	0.042	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.2	176.2	-72.2	161.8	0	0	0	108.5	Y356 L361 M477 L495 T499 I501 V634	Y356-L591 HydrophobicContact CD1-CD1 3.7Å; Y356-L591 HydrophobicContact CE1-CD1 4.36Å; L361-L591 HydrophobicContact CD1-CD1 4.29Å; L361-L591 HydrophobicContact CD1-CD2 3.65Å; L361-L591 HydrophobicContact CD1-CG 4.05Å; M477-L591 HydrophobicContact CB-CB 4.33Å; M477-L591 HydrophobicContact CB-CD1 4.22Å; M477-L591 HydrophobicContact CG-CB 4.2Å; M477-L591 HydrophobicContact SD-CB 3.95Å; L495-L591 HydrophobicContact CD2-CD2 3.66Å; T499-L591 HydrophobicContact CG2-CD2 3.5Å; I501-L591 HydrophobicContact CG1-CD2 4.06Å; L591-V634 HydrophobicContact CB-CG2 4.46Å
592	C	95	Very high	93.2	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.007	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149	177.4	-69.3	0	0	0	0	110.8	H500 T502 Y631 L632	H500-C592 HydrophobicContact CB-CB 4.43Å; H500-C592 PolarHBondContact N-O 2.9Å; H500-C592 PolarHBondContact O-N 2.64Å; T502-C592 WeakPolarHBondContact CG2-SG 3.42Å; C592-Y631 HydrophobicContact CB-CD1 4.32Å; C592-L632 CarbonylContact C-O 3.55Å; C592-L632 WeakPolarHBondContact CA-O 3.39Å
593	R	95.8	Very high	93.1	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.008	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	134.7	176.8	176.5	173.3	176.7	86.6	11.5	110	G476 M477 Y595 Y631 L632 E657 T662	G476-R593 PolarHBondContact O-NH1 2.95Å; M477-R593 HydrophobicContact CE-CB 3.53Å; M477-R593 HydrophobicContact SD-CB 3.69Å; R593-Y595 HydrophobicContact CB-CD2 4.46Å; R593-Y595 HydrophobicContact CB-CE2 3.81Å; R593-Y595 VanDerWaalsContact CD-OH 3.27Å; R593-Y595 WeakPolarHBondContact CD-OH 3.3Å; R593-Y595 HydrophobicContact CG-CD2 4.23Å; R593-Y595 HydrophobicContact CG-CE2 3.59Å; R593-Y595 PolarHBondContact NE-OH 3.31Å; R593-Y595 VanDerWaalsContact O-CD2 3.29Å; R593-Y595 WeakPolarHBondContact O-CD2 3.28Å; R593-Y631 WeakPolarHBondContact O-CA 3.45Å; R593-L632 PolarHBondContact N-O 2.69Å; R593-L632 PolarHBondContact O-N 3.18Å; R593-E657 IonicContact CZ-OE1 3.84Å; R593-E657 VanDerWaalsContact CZ-OE1 3.28Å; R593-E657 IonicContact NE-OE1 3.62Å; R593-E657 PolarHBondContact NE-OE1 2.75Å; R593-E657 VanDerWaalsContact NE-OE1 3.08Å; R593-E657 IonicContact NH2-OE1 3.75Å; R593-E657 PolarHBondContact NH2-OE1 3.11Å; R593-T662 PolarHBondContact NH1-OG1 3.34Å; R593-T662 PolarHBondContact NH2-OG1 3.37Å
594	P	95.8	Very high	92.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	139.1	178.2	30.7	-34.2	0	0	0	111.9	F33 M498 F620 V629 E630 Y631 I658	F33-P594 HydrophobicContact CD2-CG 4.33Å; F33-P594 HydrophobicContact CE2-CG 4.33Å; M498-P594 HydrophobicContact CE-CB 4.35Å; M498-P594 HydrophobicContact CE-CG 3.42Å; M498-P594 VanDerWaalsContact CE-CG 3.42Å; M498-P594 HydrophobicContact CG-CG 3.56Å; M498-P594 WeakPolarHBondContact O-CD 3.06Å; M498-P594 HydrophobicContact SD-CG 3.72Å; P594-F620 HydrophobicContact CB-CZ 3.92Å; P594-F620 HydrophobicContact CG-CZ 4.28Å; P594-V629 HydrophobicContact CB-CG1 3.92Å; P594-E630 CarbonylContact C-O 3.58Å; P594-E630 WeakPolarHBondContact CA-O 3.35Å; P594-Y631 HydrophobicContact CB-CD1 3.91Å; P594-Y631 HydrophobicContact CB-CE1 3.72Å; P594-Y631 HydrophobicContact CG-CD1 4.4Å; P594-Y631 HydrophobicContact CG-CE1 3.98Å; P594-I658 HydrophobicContact CB-CD1 4.06Å; P594-I658 HydrophobicContact CG-CD1 4.18Å; P594-I658 WeakPolarHBondContact O-CD1 3.31Å
595	Y	96.4	Very high	92.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	150.9	178.4	-75	-86.3	0	0	0	111.2	R593 V629 E630 L632 I642 E657	R593-Y595 HydrophobicContact CB-CD2 4.46Å; R593-Y595 HydrophobicContact CB-CE2 3.81Å; R593-Y595 VanDerWaalsContact CD-OH 3.27Å; R593-Y595 WeakPolarHBondContact CD-OH 3.3Å; R593-Y595 HydrophobicContact CG-CD2 4.23Å; R593-Y595 HydrophobicContact CG-CE2 3.59Å; R593-Y595 PolarHBondContact NE-OH 3.31Å; R593-Y595 VanDerWaalsContact O-CD2 3.29Å; R593-Y595 WeakPolarHBondContact O-CD2 3.28Å; Y595-V629 CarbonylContact O-C 3.4Å; Y595-V629 VanDerWaalsContact O-CA 3.27Å; Y595-V629 WeakPolarHBondContact O-CA 3.43Å; Y595-V629 WeakPolarHBondContact O-CG1 3.16Å; Y595-E630 PolarHBondContact N-O 2.92Å; Y595-E630 PolarHBondContact O-N 2.86Å; Y595-L632 HydrophobicContact CD2-CB 3.82Å; Y595-L632 HydrophobicContact CD2-CD1 3.55Å; Y595-L632 HydrophobicContact CD2-CG 3.69Å; Y595-L632 HydrophobicContact CE2-CB 4.08Å; Y595-L632 HydrophobicContact CE2-CD1 4.06Å; Y595-L632 HydrophobicContact CE2-CG 4.37Å; Y595-L632 HydrophobicContact CG-CD1 3.94Å; Y595-L632 HydrophobicContact CG-CG 4.35Å; Y595-I642 HydrophobicContact CD1-CD1 4.44Å; Y595-I642 HydrophobicContact CD1-CG2 3.91Å; Y595-I642 HydrophobicContact CE1-CD1 3.92Å; Y595-I642 HydrophobicContact CE1-CG2 3.67Å; Y595-I642 HydrophobicContact CE2-CD1 4.42Å; Y595-E657 WeakPolarHBondContact CE1-OE1 3.44Å; Y595-E657 WeakPolarHBondContact CE1-OE2 3.49Å
596	I	96.6	Very high	92.5	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133.5	173.3	-67.1	163.6	0	0	0	108.5	L29 P603 V605 V629 H655 L656 I658	L29-I596 HydrophobicContact CD1-CD1 4.12Å; L29-I596 HydrophobicContact CD1-CG1 4.38Å; I596-P603 HydrophobicContact CG2-CB 4.12Å; I596-V605 HydrophobicContact CD1-CG2 4.47Å; I596-V605 HydrophobicContact CG1-CG2 4.12Å; I596-V605 HydrophobicContact CG2-CB 4.23Å; I596-V605 HydrophobicContact CG2-CG2 3.86Å; I596-V629 HydrophobicContact CG1-CG2 4.17Å; I596-H655 CarbonylContact O-C 3.59Å; I596-H655 VanDerWaalsContact O-CA 3.28Å; I596-H655 WeakPolarHBondContact O-CA 3.45Å; I596-L656 HydrophobicContact CB-CB 4.15Å; I596-L656 HydrophobicContact CD1-CD2 4.36Å; I596-L656 HydrophobicContact CG2-CB 4.44Å; I596-L656 HydrophobicContact CG2-CD2 4.47Å; I596-L656 PolarHBondContact N-O 2.8Å; I596-L656 PolarHBondContact O-N 3.38Å; I596-I658 HydrophobicContact CD1-CG1 4.07Å; I596-I658 HydrophobicContact CG1-CG1 3.86Å
597	I	96.2	Very high	92.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.7	176.6	-66.4	163.9	0	0	0	109.3	R563 K599 M604 G627 L628 E630	R563-I597 HydrophobicContact CG-CD1 4.06Å; I597-K599 HydrophobicContact CG2-CG 4.14Å; I597-M604 HydrophobicContact CB-CG 4.29Å; I597-M604 HydrophobicContact CG2-CG 4.08Å; I597-M604 WeakPolarHBondContact O-CB 3.45Å; I597-M604 WeakPolarHBondContact O-CG 3.48Å; I597-M604 PolarHBondContact O-N 3.43Å; I597-G627 WeakPolarHBondContact CD1-O 3.26Å; I597-L628 PolarHBondContact N-O 3.07Å; I597-E630 HydrophobicContact CD1-CB 4.02Å; I597-E630 HydrophobicContact CD1-CG 3.91Å; I597-E630 HydrophobicContact CG1-CB 4.44Å; I597-E630 HydrophobicContact CG1-CG 3.88Å
598	V	94.6	Very high	92.2	Very high	9 Å²	9	37.2 Å²	37.2	6%	0.055	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.6	172.6	178	0	0	0	0	108.4	Q602 I649 T654 L656	V598-Q602 WeakPolarHBondContact CA-O 3.15Å; V598-Q602 WeakPolarHBondContact CG1-O 3.33Å; V598-I649 HydrophobicContact CG1-CG2 4.24Å; V598-I649 HydrophobicContact CG2-CD1 4.49Å; V598-T654 PolarHBondContact N-O 3.46Å; V598-L656 HydrophobicContact CG2-CB 3.71Å
599	K	89.8	Confident	92.4	Very high	91 Å²	91	38.1 Å²	38.1	40%	0.396	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132	173.6	-70.7	-173	-174.2	167.5	0	109.2	I597 G601 Q602 M604	I597-K599 HydrophobicContact CG2-CG 4.14Å; K599-G601 PolarHBondContact O-N 2.94Å; K599-G601 VanDerWaalsContact O-N 3.14Å; K599-Q602 PolarHBondContact N-O 3.41Å; K599-Q602 PolarHBondContact O-N 3.26Å; K599-M604 HydrophobicContact CB-SD 4.05Å; K599-M604 HydrophobicContact CD-CG 4.44Å; K599-M604 HydrophobicContact CD-SD 3.78Å; K599-M604 HydrophobicContact CG-CG 4.29Å; K599-M604 HydrophobicContact CG-SD 4.04Å
600	K	86.6	Confident	92.3	Very high	176 Å²	176	38.3 Å²	38.3	77%	0.765	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	36.4	178.3	-60	-177.3	175.5	-178.1	0	113.8
601	G	84.9	Confident	92	Very high	14 Å²	14	43.5 Å²	43.5	14%	0.144	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	12	178.9	0	0	0	0	0	115.4	K599 I649	K599-G601 PolarHBondContact O-N 2.94Å; K599-G601 VanDerWaalsContact O-N 3.14Å; G601-I649 VanDerWaalsContact O-CG2 3.3Å; G601-I649 WeakPolarHBondContact O-CG2 3.28Å
602	Q	88.5	Confident	91.9	Very high	85 Å²	85	44.4 Å²	44.4	40%	0.397	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.4	172.7	-68.4	-177.3	-5.6	0	0	111.1	V598 K599	V598-Q602 WeakPolarHBondContact CA-O 3.15Å; V598-Q602 WeakPolarHBondContact CG1-O 3.33Å; K599-Q602 PolarHBondContact N-O 3.41Å; K599-Q602 PolarHBondContact O-N 3.26Å
603	P	92.7	Very high	91.6	Very high	14 Å²	14	45.5 Å²	45.5	9%	0.091	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	139.1	172.7	29.2	-32.8	0	0	0	109.9	V23 I596 V605 L656	V23-P603 HydrophobicContact CG2-CG 4.17Å; I596-P603 HydrophobicContact CG2-CB 4.12Å; P603-V605 PolarHBondContact O-N 2.96Å; P603-L656 HydrophobicContact CB-CD2 4.02Å
604	M	91.4	Very high	91.3	Very high	62 Å²	62	48.6 Å²	48.6	31%	0.305	24%	0.242	S	C	.	.	S	Bend	trans	-70	-19.9	177.1	-70	-65.3	-57.1	0	0	112.8	I597 K599 L628	I597-M604 HydrophobicContact CB-CG 4.29Å; I597-M604 HydrophobicContact CG2-CG 4.08Å; I597-M604 WeakPolarHBondContact O-CB 3.45Å; I597-M604 WeakPolarHBondContact O-CG 3.48Å; I597-M604 PolarHBondContact O-N 3.43Å; K599-M604 HydrophobicContact CB-SD 4.05Å; K599-M604 HydrophobicContact CD-CG 4.44Å; K599-M604 HydrophobicContact CD-SD 3.78Å; K599-M604 HydrophobicContact CG-CG 4.29Å; K599-M604 HydrophobicContact CG-SD 4.04Å; M604-L628 HydrophobicContact CB-CD2 3.96Å; M604-L628 HydrophobicContact CE-CD2 4.41Å
605	V	92.4	Very high	91	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.006	27%	0.268	C	S	.	.			trans	-84.4	118.1	177.8	177.3	0	0	0	0	109.9	V23 I596 P603 H609 I610 F623 L628 V629	V23-V605 HydrophobicContact CG1-CG1 4.41Å; V23-V605 VanDerWaalsContact CG2-O 3.24Å; V23-V605 WeakPolarHBondContact CG2-O 3.41Å; I596-V605 HydrophobicContact CD1-CG2 4.47Å; I596-V605 HydrophobicContact CG1-CG2 4.12Å; I596-V605 HydrophobicContact CG2-CB 4.23Å; I596-V605 HydrophobicContact CG2-CG2 3.86Å; P603-V605 PolarHBondContact O-N 2.96Å; V605-H609 HydrophobicContact CG1-CB 4.47Å; V605-I610 HydrophobicContact CG1-CD1 3.95Å; V605-I610 HydrophobicContact CG1-CG1 4.23Å; V605-F623 HydrophobicContact CG1-CE1 4.37Å; V605-F623 HydrophobicContact CG2-CD1 4.33Å; V605-F623 HydrophobicContact CG2-CE1 4.49Å; V605-L628 HydrophobicContact CG2-CB 4.02Å; V605-V629 HydrophobicContact CG2-CG2 4.41Å
606	N	90	Very high	90.7	Very high	92 Å²	92	57 Å²	57	49%	0.492	30%	0.296	S	S	.	.			trans	-99.8	163.1	176.5	-65.2	-23.1	0	0	0	111.6	K608 H609 I610	N606-K608 PolarHBondContact O-N 3.17Å; N606-H609 PolarHBondContact N-ND1 3.31Å; N606-H609 WeakPolarHBondContact O-CB 3.44Å; N606-H609 PolarHBondContact O-N 3.26Å; N606-I610 PolarHBondContact O-N 3.32Å
607	N	88.8	Confident	90.5	Very high	71 Å²	71	65 Å²	65	38%	0.38	33%	0.327	S	S	.	.	H	α-helix	trans	-55.4	-37.7	175.8	-70.4	-27.4	0	0	0	112.7	V23 A24 H609 I610 E611	V23-N607 VanDerWaalsContact CA-OD1 3.28Å; V23-N607 WeakPolarHBondContact CA-OD1 3.48Å; A24-N607 PolarHBondContact N-OD1 3.43Å; N607-H609 VanDerWaalsContact C-N 3.3Å; N607-H609 PolarHBondContact O-N 2.86Å; N607-I610 WeakPolarHBondContact O-CB 3.35Å; N607-I610 PolarHBondContact O-N 2.75Å; N607-I610 VanDerWaalsContact O-N 3.08Å; N607-E611 PolarHBondContact O-N 3.06Å
608	K	90.1	Very high	90.2	Very high	142 Å²	142	67.5 Å²	67.5	62%	0.617	34%	0.336	S	S	*	.	H	α-helix	trans	-56.9	-40	175	-175.6	176.4	177.8	176.8	0	113	N606 I610 E611 D612	N606-K608 PolarHBondContact O-N 3.17Å; K608-I610 VanDerWaalsContact C-N 3.28Å; K608-I610 PolarHBondContact O-N 3.35Å; K608-E611 PolarHBondContact O-N 3Å; K608-D612 PolarHBondContact O-N 3.02Å
609	H	91.9	Very high	90.1	Very high	26 Å²	26	70.4 Å²	70.4	12%	0.12	35%	0.354	C	S	.	.	H	α-helix	trans	-66.5	-33.9	178.7	-56.1	149.2	0	0	0	111.7	V605 N606 N607 L613 F623	V605-H609 HydrophobicContact CG1-CB 4.47Å; N606-H609 PolarHBondContact N-ND1 3.31Å; N606-H609 WeakPolarHBondContact O-CB 3.44Å; N606-H609 PolarHBondContact O-N 3.26Å; N607-H609 VanDerWaalsContact C-N 3.3Å; N607-H609 PolarHBondContact O-N 2.86Å; H609-L613 WeakPolarHBondContact O-CB 3.27Å; H609-L613 PolarHBondContact O-N 3.17Å; H609-F623 HydrophobicContact CB-CE1 3.81Å; H609-F623 HydrophobicContact CB-CZ 4.01Å
610	I	89.9	Confident	90.2	Very high	5 Å²	5	66.1 Å²	66.1	3%	0.026	34%	0.336	C	S	.	.	H	α-helix	trans	-72	-37.3	176.5	-58.4	-59	0	0	0	111	V23 E25 K28 L29 V605 N606 N607 K608 L613 S614	V23-I610 HydrophobicContact CG1-CG1 3.95Å; E25-I610 HydrophobicContact CB-CG2 4.42Å; K28-I610 HydrophobicContact CB-CG2 4.46Å; K28-I610 HydrophobicContact CD-CG2 3.92Å; L29-I610 HydrophobicContact CD1-CD1 4.47Å; L29-I610 HydrophobicContact CG-CD1 4.18Å; V605-I610 HydrophobicContact CG1-CD1 3.95Å; V605-I610 HydrophobicContact CG1-CG1 4.23Å; N606-I610 PolarHBondContact O-N 3.32Å; N607-I610 WeakPolarHBondContact O-CB 3.35Å; N607-I610 PolarHBondContact O-N 2.75Å; N607-I610 VanDerWaalsContact O-N 3.08Å; K608-I610 VanDerWaalsContact C-N 3.28Å; K608-I610 PolarHBondContact O-N 3.35Å; I610-L613 PolarHBondContact O-N 3.17Å; I610-S614 WeakPolarHBondContact O-CB 3.37Å; I610-S614 PolarHBondContact O-N 3.41Å
611	E	89.7	Confident	90.4	Very high	111 Å²	111	62 Å²	62	52%	0.519	32%	0.319	S	S	.	.	H	α-helix	trans	-62.1	-49.5	171.6	-72.2	174.8	-170.1	0	0	111.2	N607 K608 L613 S614 Q615	N607-E611 PolarHBondContact O-N 3.06Å; K608-E611 PolarHBondContact O-N 3Å; E611-L613 VanDerWaalsContact C-N 3.28Å; E611-L613 PolarHBondContact O-N 3.05Å; E611-S614 PolarHBondContact O-N 2.94Å; E611-S614 PolarHBondContact O-OG 2.82Å; E611-Q615 WeakPolarHBondContact O-CG 3.4Å; E611-Q615 PolarHBondContact O-N 3.36Å
612	D	92.3	Very high	90.8	Very high	27 Å²	27	64 Å²	64	14%	0.144	33%	0.326	C	S	.	.	H	α-helix	trans	-57	-41.1	176.3	-73.2	-9.2	0	0	0	112	K608 S614 Q615 G616 Y617 R618	K608-D612 PolarHBondContact O-N 3.02Å; D612-S614 VanDerWaalsContact C-N 3.34Å; D612-Q615 PolarHBondContact O-N 3.05Å; D612-G616 PolarHBondContact O-N 2.97Å; D612-Y617 PolarHBondContact O-N 3.34Å; D612-R618 HydrophobicContact CB-CG 4.05Å; D612-R618 IonicContact OD2-CZ 2.75Å; D612-R618 IonicContact OD2-NE 3.35Å; D612-R618 PolarHBondContact OD2-NE 2.86Å; D612-R618 VanDerWaalsContact OD2-NE 3.09Å
613	L	90	Very high	91	Very high	23 Å²	23	59.9 Å²	59.9	12%	0.12	31%	0.307	C	S	.	.	H	α-helix	trans	-63.9	-39.7	175.1	178.2	66.2	0	0	0	111.7	K28 L29 A32 H609 I610 E611 G616 R618 F623	K28-L613 HydrophobicContact CB-CD2 4.45Å; L29-L613 HydrophobicContact CD2-CD2 3.81Å; L29-L613 HydrophobicContact CG-CD2 4.41Å; A32-L613 HydrophobicContact CB-CD1 3.91Å; A32-L613 HydrophobicContact CB-CD2 4.27Å; H609-L613 WeakPolarHBondContact O-CB 3.27Å; H609-L613 PolarHBondContact O-N 3.17Å; I610-L613 PolarHBondContact O-N 3.17Å; E611-L613 VanDerWaalsContact C-N 3.28Å; E611-L613 PolarHBondContact O-N 3.05Å; L613-G616 PolarHBondContact O-N 2.78Å; L613-R618 WeakPolarHBondContact CD1-O 3.49Å; L613-F623 HydrophobicContact CB-CE2 4.23Å; L613-F623 HydrophobicContact CB-CZ 4.16Å; L613-F623 HydrophobicContact CD1-CE2 4.08Å; L613-F623 HydrophobicContact CD2-CE2 4.39Å; L613-F623 HydrophobicContact CD2-CZ 4.35Å; L613-F623 HydrophobicContact CG-CE2 4.47Å
614	S	88.1	Confident	91.1	Very high	68 Å²	68	60 Å²	60	48%	0.476	31%	0.307	S	S	.	.	H	α-helix	trans	-72.2	-33.5	-179.7	73.9	0	0	0	0	113.1	I610 E611 D612 G616	I610-S614 WeakPolarHBondContact O-CB 3.37Å; I610-S614 PolarHBondContact O-N 3.41Å; E611-S614 PolarHBondContact O-N 2.94Å; E611-S614 PolarHBondContact O-OG 2.82Å; D612-S614 VanDerWaalsContact C-N 3.34Å; S614-G616 VanDerWaalsContact C-N 3.3Å
615	Q	90.8	Very high	91.1	Very high	120 Å²	120	62.1 Å²	62.1	56%	0.561	32%	0.316	S	S	*	.	H	α-helix	trans	-79.4	-15.7	174.8	-64.4	-177	24.5	0	0	112.3	E611 D612 Y617	E611-Q615 WeakPolarHBondContact O-CG 3.4Å; E611-Q615 PolarHBondContact O-N 3.36Å; D612-Q615 PolarHBondContact O-N 3.05Å; Q615-Y617 HydrophobicContact CB-CD2 3.96Å; Q615-Y617 HydrophobicContact CB-CE2 3.9Å
616	G	89.1	Confident	91	Very high	56 Å²	56	66.7 Å²	66.7	58%	0.577	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	14.9	176	0	0	0	0	0	114.7	D612 L613 S614 R618	D612-G616 PolarHBondContact O-N 2.97Å; L613-G616 PolarHBondContact O-N 2.78Å; S614-G616 VanDerWaalsContact C-N 3.3Å; G616-R618 VanDerWaalsContact C-N 3.3Å
617	Y	92.4	Very high	91.1	Very high	171 Å²	171	62.7 Å²	62.7	67%	0.671	32%	0.318	S	S	*	.	S	Bend	trans	-70.4	-28.6	173.1	-64.2	-53.9	0	0	0	112.7	D612 Q615	D612-Y617 PolarHBondContact O-N 3.34Å; Q615-Y617 HydrophobicContact CB-CD2 3.96Å; Q615-Y617 HydrophobicContact CB-CE2 3.9Å
618	R	90.6	Very high	91.4	Very high	53 Å²	53	59.7 Å²	59.7	20%	0.2	30%	0.302	C	S	.	.			trans	-123.6	146.1	-179.7	-64	174.7	-179.9	-123.1	-13.9	110.9	D612 L613 G616 F623 E626	D612-R618 HydrophobicContact CB-CG 4.05Å; D612-R618 IonicContact OD2-CZ 2.75Å; D612-R618 IonicContact OD2-NE 3.35Å; D612-R618 PolarHBondContact OD2-NE 2.86Å; D612-R618 VanDerWaalsContact OD2-NE 3.09Å; L613-R618 WeakPolarHBondContact CD1-O 3.49Å; G616-R618 VanDerWaalsContact C-N 3.3Å; R618-F623 HydrophobicContact CB-CE2 4.17Å; R618-E626 IonicContact CZ-OE1 3.7Å; R618-E626 IonicContact CZ-OE2 2.88Å; R618-E626 IonicContact NH1-OE1 2.95Å; R618-E626 PolarHBondContact NH1-OE1 2.83Å; R618-E626 IonicContact NH1-OE2 3.68Å; R618-E626 PolarHBondContact NH1-OE2 3.18Å; R618-E626 IonicContact NH2-OE1 3.68Å; R618-E626 PolarHBondContact NH2-OE1 3.45Å; R618-E626 IonicContact NH2-OE2 2.65Å
619	T	91.6	Very high	91.7	Very high	70 Å²	70	53 Å²	53	43%	0.429	27%	0.273	S	S	.	.			trans	-107.1	168.6	171.4	70.6	0	0	0	0	110.8	E621 D622 F623	T619-E621 PolarHBondContact O-N 3.09Å; T619-D622 WeakPolarHBondContact CB-OD2 3.42Å; T619-D622 PolarHBondContact N-OD2 3.39Å; T619-D622 PolarHBondContact O-N 3.14Å; T619-D622 PolarHBondContact OG1-OD2 3.3Å; T619-F623 VanDerWaalsContact O-CD2 3.25Å; T619-F623 WeakPolarHBondContact O-CD2 3.47Å
620	F	92.1	Very high	91.9	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-30.2	179.4	-174.4	-91.1	0	0	0	113.3	L29 A32 F33 V36 M498 P594 D622 F623 L624 V629	L29-F620 HydrophobicContact CB-CE2 4.49Å; L29-F620 HydrophobicContact CD2-CD2 4.38Å; A32-F620 HydrophobicContact CB-CB 3.98Å; A32-F620 HydrophobicContact CB-CD2 4.34Å; F33-F620 HydrophobicContact CB-CD2 3.98Å; F33-F620 HydrophobicContact CB-CE1 4.45Å; F33-F620 HydrophobicContact CB-CE2 3.9Å; F33-F620 HydrophobicContact CB-CG 4.29Å; F33-F620 HydrophobicContact CB-CZ 4.15Å; F33-F620 HydrophobicContact CD2-CD1 4.31Å; F33-F620 AromaticContact CD2-CE1 3.8Å; F33-F620 HydrophobicContact CD2-CE1 3.8Å; F33-F620 AromaticContact CD2-CZ 3.91Å; F33-F620 HydrophobicContact CD2-CZ 3.91Å; F33-F620 HydrophobicContact CG-CZ 4.47Å; V36-F620 HydrophobicContact CG2-CB 4.38Å; M498-F620 HydrophobicContact CE-CE2 4.2Å; M498-F620 HydrophobicContact CE-CZ 4.38Å; P594-F620 HydrophobicContact CB-CZ 3.92Å; P594-F620 HydrophobicContact CG-CZ 4.28Å; F620-D622 VanDerWaalsContact C-N 3.35Å; F620-F623 WeakPolarHBondContact O-CB 3.29Å; F620-F623 PolarHBondContact O-N 2.75Å; F620-L624 HydrophobicContact CE1-CD1 4.34Å; F620-L624 HydrophobicContact CE1-CD2 4.44Å; F620-L624 HydrophobicContact CE1-CG 4.43Å; F620-V629 HydrophobicContact CZ-CG1 4.08Å
621	E	91.5	Very high	92.2	Very high	88 Å²	88	52 Å²	52	41%	0.411	27%	0.268	S	S	.	.	H	α-helix	trans	-71.2	-32	-179.4	-163.7	164.1	-170.2	0	0	111.8	T619 F623 L624 H625	T619-E621 PolarHBondContact O-N 3.09Å; E621-F623 VanDerWaalsContact C-N 3.26Å; E621-F623 PolarHBondContact O-N 2.7Å; E621-L624 WeakPolarHBondContact O-CA 3.22Å; E621-L624 VanDerWaalsContact O-CB 3.3Å; E621-L624 WeakPolarHBondContact O-CB 3.49Å; E621-L624 PolarHBondContact O-N 3.32Å; E621-H625 PolarHBondContact O-N 3.37Å; E621-H625 VanDerWaalsContact O-N 3.11Å
622	D	92.9	Very high	92.5	Very high	56 Å²	56	46.8 Å²	46.8	30%	0.299	24%	0.243	S	C	.	.	H	α-helix	trans	-63.7	-33.3	175.3	-54.7	-47.6	0	0	0	111.7	T619 F620 L624 H625 E626	T619-D622 WeakPolarHBondContact CB-OD2 3.42Å; T619-D622 PolarHBondContact N-OD2 3.39Å; T619-D622 PolarHBondContact O-N 3.14Å; T619-D622 PolarHBondContact OG1-OD2 3.3Å; F620-D622 VanDerWaalsContact C-N 3.35Å; D622-L624 PolarHBondContact O-N 2.9Å; D622-H625 PolarHBondContact O-N 2.85Å; D622-E626 WeakPolarHBondContact O-CB 3.29Å; D622-E626 WeakPolarHBondContact O-CG 3.48Å; D622-E626 PolarHBondContact O-N 2.95Å
623	F	93.6	Very high	92.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-26.7	173.2	-73.6	-103.7	0	0	0	112.8	L29 V605 H609 L613 R618 T619 F620 E621 L628 V629	L29-F623 HydrophobicContact CD2-CD1 4.05Å; L29-F623 HydrophobicContact CD2-CD2 4.39Å; L29-F623 HydrophobicContact CD2-CE1 3.89Å; L29-F623 HydrophobicContact CD2-CE2 4.27Å; L29-F623 HydrophobicContact CD2-CG 4.31Å; L29-F623 HydrophobicContact CD2-CZ 4.01Å; V605-F623 HydrophobicContact CG1-CE1 4.37Å; V605-F623 HydrophobicContact CG2-CD1 4.33Å; V605-F623 HydrophobicContact CG2-CE1 4.49Å; H609-F623 HydrophobicContact CB-CE1 3.81Å; H609-F623 HydrophobicContact CB-CZ 4.01Å; L613-F623 HydrophobicContact CB-CE2 4.23Å; L613-F623 HydrophobicContact CB-CZ 4.16Å; L613-F623 HydrophobicContact CD1-CE2 4.08Å; L613-F623 HydrophobicContact CD2-CE2 4.39Å; L613-F623 HydrophobicContact CD2-CZ 4.35Å; L613-F623 HydrophobicContact CG-CE2 4.47Å; R618-F623 HydrophobicContact CB-CE2 4.17Å; T619-F623 VanDerWaalsContact O-CD2 3.25Å; T619-F623 WeakPolarHBondContact O-CD2 3.47Å; F620-F623 WeakPolarHBondContact O-CB 3.29Å; F620-F623 PolarHBondContact O-N 2.75Å; E621-F623 VanDerWaalsContact C-N 3.26Å; E621-F623 PolarHBondContact O-N 2.7Å; F623-L628 HydrophobicContact CB-CB 4.4Å; F623-L628 HydrophobicContact CD1-CB 4.11Å; F623-L628 HydrophobicContact CD1-CD1 3.65Å; F623-L628 HydrophobicContact CE1-CD1 4.11Å; F623-L628 HydrophobicContact CG-CD1 4.3Å; F623-L628 WeakPolarHBondContact O-CB 3.36Å; F623-L628 PolarHBondContact O-N 2.83Å; F623-V629 HydrophobicContact CB-CB 4.26Å; F623-V629 HydrophobicContact CB-CG2 4.11Å; F623-V629 HydrophobicContact CD1-CG2 4.39Å; F623-V629 PolarHBondContact O-N 2.93Å
624	L	93.3	Very high	93	Very high	15 Å²	15	44.5 Å²	44.5	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-77.4	-47.2	174.9	-59.1	170.3	0	0	0	110.5	F620 E621 D622 E626 G627 V629 Y631	F620-L624 HydrophobicContact CE1-CD1 4.34Å; F620-L624 HydrophobicContact CE1-CD2 4.44Å; F620-L624 HydrophobicContact CE1-CG 4.43Å; E621-L624 WeakPolarHBondContact O-CA 3.22Å; E621-L624 VanDerWaalsContact O-CB 3.3Å; E621-L624 WeakPolarHBondContact O-CB 3.49Å; E621-L624 PolarHBondContact O-N 3.32Å; D622-L624 PolarHBondContact O-N 2.9Å; L624-E626 VanDerWaalsContact C-N 3.32Å; L624-E626 PolarHBondContact O-N 3.09Å; L624-G627 PolarHBondContact O-N 3.39Å; L624-V629 HydrophobicContact CD2-CB 4.3Å; L624-V629 HydrophobicContact CD2-CG1 4.07Å; L624-V629 WeakPolarHBondContact CD2-O 3.42Å; L624-Y631 HydrophobicContact CD1-CD2 4.4Å; L624-Y631 HydrophobicContact CD1-CE2 3.6Å; L624-Y631 HydrophobicContact CD2-CD2 4.09Å; L624-Y631 HydrophobicContact CD2-CE2 3.88Å; L624-Y631 HydrophobicContact CG-CE2 4.43Å
625	H	92	Very high	93.3	Very high	108 Å²	108	41.5 Å²	41.5	50%	0.5	21%	0.21	S	C	.	.	H	α-helix	trans	-64.4	-34.4	-178.7	-66.5	165	0	0	0	113.3	E621 D622 G627	E621-H625 PolarHBondContact O-N 3.37Å; E621-H625 VanDerWaalsContact O-N 3.11Å; D622-H625 PolarHBondContact O-N 2.85Å; H625-G627 PolarHBondContact O-N 3.19Å
626	E	91.4	Very high	93.6	Very high	96 Å²	96	35.8 Å²	35.8	45%	0.449	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.3	175.1	-68.4	-176.3	-170.3	0	0	113.4	R618 D622 L624 L628	R618-E626 IonicContact CZ-OE1 3.7Å; R618-E626 IonicContact CZ-OE2 2.88Å; R618-E626 IonicContact NH1-OE1 2.95Å; R618-E626 PolarHBondContact NH1-OE1 2.83Å; R618-E626 IonicContact NH1-OE2 3.68Å; R618-E626 PolarHBondContact NH1-OE2 3.18Å; R618-E626 IonicContact NH2-OE1 3.68Å; R618-E626 PolarHBondContact NH2-OE1 3.45Å; R618-E626 IonicContact NH2-OE2 2.65Å; D622-E626 WeakPolarHBondContact O-CB 3.29Å; D622-E626 WeakPolarHBondContact O-CG 3.48Å; D622-E626 PolarHBondContact O-N 2.95Å; L624-E626 VanDerWaalsContact C-N 3.32Å; L624-E626 PolarHBondContact O-N 3.09Å; E626-L628 HydrophobicContact CB-CD1 4.36Å; E626-L628 HydrophobicContact CB-CG 3.98Å
627	G	91.9	Very high	93.9	Very high	8 Å²	8	34.2 Å²	34.2	8%	0.082	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	34.8	-178.6	0	0	0	0	0	113.5	I597 L624 H625	I597-G627 WeakPolarHBondContact CD1-O 3.26Å; L624-G627 PolarHBondContact O-N 3.39Å; H625-G627 PolarHBondContact O-N 3.19Å
628	L	94.3	Very high	94	Very high	9 Å²	9	31.1 Å²	31.1	5%	0.047	16%	0.156	C	C	.	.	S	Bend	trans	-88.2	-39.5	173.8	-56	-180	0	0	0	111.5	I597 M604 V605 F623 E626	I597-L628 PolarHBondContact N-O 3.07Å; M604-L628 HydrophobicContact CB-CD2 3.96Å; M604-L628 HydrophobicContact CE-CD2 4.41Å; V605-L628 HydrophobicContact CG2-CB 4.02Å; F623-L628 HydrophobicContact CB-CB 4.4Å; F623-L628 HydrophobicContact CD1-CB 4.11Å; F623-L628 HydrophobicContact CD1-CD1 3.65Å; F623-L628 HydrophobicContact CE1-CD1 4.11Å; F623-L628 HydrophobicContact CG-CD1 4.3Å; F623-L628 WeakPolarHBondContact O-CB 3.36Å; F623-L628 PolarHBondContact O-N 2.83Å; E626-L628 HydrophobicContact CB-CD1 4.36Å; E626-L628 HydrophobicContact CB-CG 3.98Å
629	V	95.4	Very high	94.1	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.5	178	174.3	0	0	0	0	108	P594 Y595 I596 V605 F620 F623 L624 I658	P594-V629 HydrophobicContact CB-CG1 3.92Å; Y595-V629 CarbonylContact O-C 3.4Å; Y595-V629 VanDerWaalsContact O-CA 3.27Å; Y595-V629 WeakPolarHBondContact O-CA 3.43Å; Y595-V629 WeakPolarHBondContact O-CG1 3.16Å; I596-V629 HydrophobicContact CG1-CG2 4.17Å; V605-V629 HydrophobicContact CG2-CG2 4.41Å; F620-V629 HydrophobicContact CZ-CG1 4.08Å; F623-V629 HydrophobicContact CB-CB 4.26Å; F623-V629 HydrophobicContact CB-CG2 4.11Å; F623-V629 HydrophobicContact CD1-CG2 4.39Å; F623-V629 PolarHBondContact O-N 2.93Å; L624-V629 HydrophobicContact CD2-CB 4.3Å; L624-V629 HydrophobicContact CD2-CG1 4.07Å; L624-V629 WeakPolarHBondContact CD2-O 3.42Å; V629-I658 HydrophobicContact CG1-CD1 4.41Å
630	E	96	Very high	94.3	Very high	7 Å²	7	28.5 Å²	28.5	3%	0.033	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	161.2	169.6	70.2	-175.5	143.6	0	0	112.3	R562 R563 P594 Y595 I597 L632 H655	R562-E630 IonicContact CZ-OE2 2.7Å; R562-E630 IonicContact NE-OE2 3.79Å; R562-E630 IonicContact NH2-OE2 3.63Å; R562-E630 PolarHBondContact NH2-OE2 3.33Å; R563-E630 WeakPolarHBondContact CG-OE2 3.4Å; R563-E630 IonicContact CZ-OE1 2.69Å; R563-E630 IonicContact NE-OE1 3.6Å; R563-E630 PolarHBondContact NE-OE1 2.93Å; R563-E630 IonicContact NE-OE2 3.96Å; R563-E630 PolarHBondContact NE-OE2 2.98Å; R563-E630 IonicContact NH2-OE1 2.99Å; R563-E630 PolarHBondContact NH2-OE1 2.92Å; P594-E630 CarbonylContact C-O 3.58Å; P594-E630 WeakPolarHBondContact CA-O 3.35Å; Y595-E630 PolarHBondContact N-O 2.92Å; Y595-E630 PolarHBondContact O-N 2.86Å; I597-E630 HydrophobicContact CD1-CB 4.02Å; I597-E630 HydrophobicContact CD1-CG 3.91Å; I597-E630 HydrophobicContact CG1-CB 4.44Å; I597-E630 HydrophobicContact CG1-CG 3.88Å; E630-L632 HydrophobicContact CG-CD2 4.31Å; E630-H655 IonicContact OE1-CD2 2.68Å; E630-H655 IonicContact OE1-CE1 3.57Å; E630-H655 IonicContact OE1-NE2 3.23Å; E630-H655 PolarHBondContact OE1-NE2 2.64Å
631	Y	96.3	Very high	94.4	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.5	175.8	-71.5	-73.9	0	0	0	110.8	F33 H500 E569 F570 C592 R593 P594 L624	F33-Y631 HydrophobicContact CE2-CE1 4.07Å; H500-Y631 HydrophobicContact CB-CE1 4.33Å; E569-Y631 HydrophobicContact CB-CD2 4.4Å; E569-Y631 HydrophobicContact CG-CD2 3.78Å; E569-Y631 HydrophobicContact CG-CE2 4.14Å; F570-Y631 HydrophobicContact CD1-CD2 4.08Å; F570-Y631 HydrophobicContact CD1-CG 4.22Å; F570-Y631 HydrophobicContact CE1-CD1 4.31Å; F570-Y631 AromaticContact CE1-CD2 3.52Å; F570-Y631 HydrophobicContact CE1-CD2 3.52Å; F570-Y631 HydrophobicContact CE1-CE1 4.48Å; F570-Y631 AromaticContact CE1-CE2 3.69Å; F570-Y631 HydrophobicContact CE1-CE2 3.69Å; F570-Y631 AromaticContact CE1-CG 3.85Å; F570-Y631 HydrophobicContact CE1-CG 3.85Å; F570-Y631 HydrophobicContact CZ-CD2 4.24Å; F570-Y631 HydrophobicContact CZ-CE2 4.04Å; C592-Y631 HydrophobicContact CB-CD1 4.32Å; R593-Y631 WeakPolarHBondContact O-CA 3.45Å; P594-Y631 HydrophobicContact CB-CD1 3.91Å; P594-Y631 HydrophobicContact CB-CE1 3.72Å; P594-Y631 HydrophobicContact CG-CD1 4.4Å; P594-Y631 HydrophobicContact CG-CE1 3.98Å; L624-Y631 HydrophobicContact CD1-CD2 4.4Å; L624-Y631 HydrophobicContact CD1-CE2 3.6Å; L624-Y631 HydrophobicContact CD2-CD2 4.09Å; L624-Y631 HydrophobicContact CD2-CE2 3.88Å; L624-Y631 HydrophobicContact CG-CE2 4.43Å
632	L	96.6	Very high	94.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	141.1	169.7	-59.1	-175.6	0	0	0	110.4	C592 R593 Y595 E630 E636 C640 I642 H655	C592-L632 CarbonylContact C-O 3.55Å; C592-L632 WeakPolarHBondContact CA-O 3.39Å; R593-L632 PolarHBondContact N-O 2.69Å; R593-L632 PolarHBondContact O-N 3.18Å; Y595-L632 HydrophobicContact CD2-CB 3.82Å; Y595-L632 HydrophobicContact CD2-CD1 3.55Å; Y595-L632 HydrophobicContact CD2-CG 3.69Å; Y595-L632 HydrophobicContact CE2-CB 4.08Å; Y595-L632 HydrophobicContact CE2-CD1 4.06Å; Y595-L632 HydrophobicContact CE2-CG 4.37Å; Y595-L632 HydrophobicContact CG-CD1 3.94Å; Y595-L632 HydrophobicContact CG-CG 4.35Å; E630-L632 HydrophobicContact CG-CD2 4.31Å; L632-E636 HydrophobicContact CD2-CG 4.1Å; L632-C640 HydrophobicContact CD1-CB 4.41Å; L632-I642 HydrophobicContact CD1-CD1 4.22Å; L632-H655 HydrophobicContact CD1-CB 4.48Å
633	D	95.9	Very high	94.8	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.011	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	159.4	168.6	177.8	14.8	0	0	0	109.3	S572 R590 N635 E636 E637	S572-D633 PolarHBondContact OG-OD2 3.34Å; R590-D633 WeakPolarHBondContact CD-OD2 3.48Å; R590-D633 IonicContact NH1-OD2 3.6Å; R590-D633 PolarHBondContact NH1-OD2 3.25Å; R590-D633 VanDerWaalsContact NH1-OD2 3.14Å; D633-N635 PolarHBondContact O-N 3.05Å; D633-N635 VanDerWaalsContact O-N 3.16Å; D633-E636 CarbonylContact O-C 3.58Å; D633-E636 WeakPolarHBondContact O-CA 3.43Å; D633-E636 PolarHBondContact O-N 2.94Å; D633-E637 PolarHBondContact O-N 3.42Å
634	V	96.9	Very high	94.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-55.2	-35.7	179.3	174.7	0	0	0	0	112	Y355 G357 M477 L591 E637	Y355-V634 HydrophobicContact CE1-CG1 4.19Å; Y355-V634 HydrophobicContact CE2-CG1 3.89Å; Y355-V634 WeakPolarHBondContact OH-CG1 3.5Å; Y355-V634 PolarHBondContact OH-O 2.89Å; G357-V634 VanDerWaalsContact N-CG1 3.34Å; M477-V634 HydrophobicContact CE-CG2 4.05Å; M477-V634 HydrophobicContact CG-CG2 3.98Å; L591-V634 HydrophobicContact CB-CG2 4.46Å; V634-E637 WeakPolarHBondContact CA-OE1 3.45Å; V634-E637 WeakPolarHBondContact CG1-OE1 3.21Å; V634-E637 VanDerWaalsContact O-CG 3.29Å; V634-E637 WeakPolarHBondContact O-CG 3.41Å
635	N	95.2	Very high	94.8	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-71.8	-32.7	175.9	-73.1	-21.4	0	0	0	113.3	Y355 G357 S574 D633	Y355-N635 WeakPolarHBondContact CE1-OD1 3.41Å; G357-N635 VanDerWaalsContact CA-OD1 3.23Å; G357-N635 WeakPolarHBondContact CA-OD1 3.08Å; S574-N635 WeakPolarHBondContact CB-O 3.38Å; D633-N635 PolarHBondContact O-N 3.05Å; D633-N635 VanDerWaalsContact O-N 3.16Å
636	E	96	Very high	94.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-83.4	-27.9	-178.3	-171.8	166.5	-175	0	0	111.3	R559 R562 S572 I573 L632 D633 N638 D639 C640	R559-E636 IonicContact CZ-OE1 3.26Å; R559-E636 IonicContact NE-OE1 2.89Å; R559-E636 PolarHBondContact NE-OE1 3.05Å; R559-E636 IonicContact NH2-OE1 3.23Å; R562-E636 IonicContact CZ-OE1 2.72Å; R562-E636 IonicContact CZ-OE2 3.68Å; R562-E636 IonicContact NH1-OE1 3.06Å; R562-E636 PolarHBondContact NH1-OE1 3.44Å; R562-E636 IonicContact NH1-OE2 3.45Å; R562-E636 PolarHBondContact NH1-OE2 2.63Å; R562-E636 IonicContact NH2-OE1 3.4Å; R562-E636 PolarHBondContact NH2-OE1 2.86Å; R562-E636 IonicContact NH2-OE2 3.74Å; S572-E636 WeakPolarHBondContact CA-OE2 3.38Å; S572-E636 WeakPolarHBondContact CB-OE2 3.49Å; I573-E636 PolarHBondContact N-OE2 3.25Å; I573-E636 WeakPolarHBondContact O-CG 3.19Å; L632-E636 HydrophobicContact CD2-CG 4.1Å; D633-E636 CarbonylContact O-C 3.58Å; D633-E636 WeakPolarHBondContact O-CA 3.43Å; D633-E636 PolarHBondContact O-N 2.94Å; E636-N638 PolarHBondContact O-N 3.46Å; E636-D639 WeakPolarHBondContact O-CB 3.5Å; E636-D639 PolarHBondContact O-N 2.68Å; E636-D639 VanDerWaalsContact O-N 3.09Å; E636-C640 PolarHBondContact O-N 3.44Å; E636-C640 PolarHBondContact O-SG 3.08Å
637	E	95.6	Very high	94.6	Very high	24 Å²	24	31.3 Å²	31.3	11%	0.112	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-29.6	174.2	94.5	-162.4	160.7	0	0	112.1	D633 V634 D639 C640 I642	D633-E637 PolarHBondContact O-N 3.42Å; V634-E637 WeakPolarHBondContact CA-OE1 3.45Å; V634-E637 WeakPolarHBondContact CG1-OE1 3.21Å; V634-E637 VanDerWaalsContact O-CG 3.29Å; V634-E637 WeakPolarHBondContact O-CG 3.41Å; E637-D639 VanDerWaalsContact C-N 3.26Å; E637-D639 PolarHBondContact O-N 3.08Å; E637-C640 PolarHBondContact O-N 3.44Å; E637-C640 VanDerWaalsContact O-N 3.12Å; E637-I642 HydrophobicContact CB-CD1 4.43Å
638	N	94.1	Very high	94.6	Very high	105 Å²	105	35.7 Å²	35.7	56%	0.561	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-29.7	173.6	-76.3	-4.8	0	0	0	113.4	Y355 E636 C640	Y355-N638 PolarHBondContact OH-ND2 3.38Å; Y355-N638 PolarHBondContact OH-OD1 3.33Å; E636-N638 PolarHBondContact O-N 3.46Å; N638-C640 VanDerWaalsContact C-N 3.34Å
639	D	94.3	Very high	94.5	Very high	49 Å²	49	36.4 Å²	36.4	26%	0.262	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-18	177	-70.8	-3	0	0	0	111.8	R559 S574 T575 E636 E637	R559-D639 IonicContact NH2-OD2 2.75Å; R559-D639 PolarHBondContact NH2-OD2 3.38Å; R559-D639 VanDerWaalsContact NH2-OD2 3.1Å; S574-D639 WeakPolarHBondContact CA-OD2 3.31Å; T575-D639 PolarHBondContact N-OD1 3.18Å; T575-D639 PolarHBondContact N-OD2 3.1Å; T575-D639 VanDerWaalsContact O-OD1 3.14Å; T575-D639 PolarHBondContact OG1-OD1 2.73Å; T575-D639 PolarHBondContact OG1-OD2 3.21Å; E636-D639 WeakPolarHBondContact O-CB 3.5Å; E636-D639 PolarHBondContact O-N 2.68Å; E636-D639 VanDerWaalsContact O-N 3.09Å; E637-D639 VanDerWaalsContact C-N 3.26Å; E637-D639 PolarHBondContact O-N 3.08Å
640	C	94.6	Very high	94.2	Very high	19 Å²	19	38.6 Å²	38.6	13%	0.128	20%	0.195	C	C	.	.			trans	-98	149	-168.9	-66.7	0	0	0	0	112	L632 E636 E637 N638 I642 T654 H655	L632-C640 HydrophobicContact CD1-CB 4.41Å; E636-C640 PolarHBondContact O-N 3.44Å; E636-C640 PolarHBondContact O-SG 3.08Å; E637-C640 PolarHBondContact O-N 3.44Å; E637-C640 VanDerWaalsContact O-N 3.12Å; N638-C640 VanDerWaalsContact C-N 3.34Å; C640-I642 HydrophobicContact CB-CG1 4.25Å; C640-T654 WeakPolarHBondContact CB-OG1 3.35Å; C640-H655 VanDerWaalsContact SG-CE1 3.57Å
641	Q	95.8	Very high	93.8	Very high	86 Å²	86	46.3 Å²	46.3	40%	0.402	23%	0.229	S	C	.	.			trans	-107.2	109.5	168.2	-171.8	176.4	12.3	0	0	109	E652 T653 T654 H655	Q641-E652 PolarHBondContact OE1-O 3.19Å; Q641-T653 HydrophobicContact CG-CG2 4.33Å; Q641-T654 PolarHBondContact N-OG1 3.03Å; Q641-T654 PolarHBondContact O-N 2.98Å; Q641-T654 PolarHBondContact O-OG1 3.1Å; Q641-H655 PolarHBondContact O-N 3.29Å
642	I	96.6	Very high	93.5	Very high	53 Å²	53	53.3 Å²	53.3	27%	0.272	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.7	-172.3	-51.8	176.2	0	0	0	109.4	Y595 L632 E637 C640 H655	Y595-I642 HydrophobicContact CD1-CD1 4.44Å; Y595-I642 HydrophobicContact CD1-CG2 3.91Å; Y595-I642 HydrophobicContact CE1-CD1 3.92Å; Y595-I642 HydrophobicContact CE1-CG2 3.67Å; Y595-I642 HydrophobicContact CE2-CD1 4.42Å; L632-I642 HydrophobicContact CD1-CD1 4.22Å; E637-I642 HydrophobicContact CB-CD1 4.43Å; C640-I642 HydrophobicContact CB-CG1 4.25Å; I642-H655 WeakPolarHBondContact CA-O 3.48Å; I642-H655 HydrophobicContact CG1-CB 4.26Å
643	S	95.4	Very high	93.4	Very high	6 Å²	6	53.7 Å²	53.7	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	139.9	171.8	56.8	0	0	0	0	111	I649 H655 L656 E657	S643-I649 WeakPolarHBondContact OG-CG1 3.44Å; S643-H655 PolarHBondContact N-O 3.25Å; S643-H655 PolarHBondContact OG-O 3.47Å; S643-H655 VanDerWaalsContact OG-O 3.1Å; S643-L656 VanDerWaalsContact OG-CD1 3.32Å; S643-L656 WeakPolarHBondContact OG-CD1 3.38Å; S643-E657 WeakPolarHBondContact O-CB 3.43Å; S643-E657 PolarHBondContact O-N 3.19Å
644	L	93.9	Very high	93.3	Very high	64 Å²	64	55.9 Å²	55.9	34%	0.335	28%	0.277	S	S	.	.	S	Bend	trans	-77.6	-40.4	177.5	-68.3	174.3	0	0	0	112.2	W475 M648	W475-L644 HydrophobicContact CZ2-CD2 3.85Å; L644-M648 HydrophobicContact CB-SD 4.47Å
645	Y	92.5	Very high	93.3	Very high	70 Å²	70	56 Å²	56	28%	0.275	28%	0.278	S	S	.	.	S	Bend	trans	-135.2	158.2	-177.6	-59.4	-74.6	0	0	0	110	H647 M648 P660	Y645-H647 VanDerWaalsContact C-N 3.29Å; Y645-H647 WeakPolarHBondContact CB-CE1 3.31Å; Y645-H647 WeakPolarHBondContact CB-ND1 3.46Å; Y645-H647 AromaticContact CD2-CE1 3.8Å; Y645-H647 AromaticContact CG-CE1 3.73Å; Y645-H647 PolarHBondContact O-N 3.28Å; Y645-M648 HydrophobicContact CD2-CE 4.1Å; Y645-M648 HydrophobicContact CD2-SD 4.25Å; Y645-M648 PolarHBondContact O-N 3.35Å; Y645-P660 HydrophobicContact CE1-CG 4.05Å
646	E	90.3	Very high	93.3	Very high	14 Å²	14	55.9 Å²	55.9	7%	0.065	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-60.7	-37.5	-176.1	-63.5	72.6	-162.2	0	0	112	K26 M648 I649 L656	K26-E646 WeakPolarHBondContact CD-OE1 3.36Å; K26-E646 VanDerWaalsContact CE-OE1 3.25Å; K26-E646 WeakPolarHBondContact CE-OE1 3.45Å; K26-E646 IonicContact NZ-OE1 3.24Å; K26-E646 PolarHBondContact NZ-OE1 3.26Å; K26-E646 IonicContact NZ-OE2 3.37Å; E646-M648 PolarHBondContact O-N 3.21Å; E646-I649 HydrophobicContact CB-CD1 4.36Å; E646-I649 VanDerWaalsContact O-CB 3.29Å; E646-I649 WeakPolarHBondContact O-CB 3.43Å; E646-I649 VanDerWaalsContact O-CG1 3.26Å; E646-I649 WeakPolarHBondContact O-CG1 3.21Å; E646-I649 PolarHBondContact O-N 3.36Å; E646-L656 HydrophobicContact CG-CD2 4.03Å
647	H	89.9	Confident	93.3	Very high	132 Å²	132	56 Å²	56	61%	0.611	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-70.6	-11.6	179.2	69.2	-88.9	0	0	0	114	Y645	Y645-H647 VanDerWaalsContact C-N 3.29Å; Y645-H647 WeakPolarHBondContact CB-CE1 3.31Å; Y645-H647 WeakPolarHBondContact CB-ND1 3.46Å; Y645-H647 AromaticContact CD2-CE1 3.8Å; Y645-H647 AromaticContact CG-CE1 3.73Å; Y645-H647 PolarHBondContact O-N 3.28Å
648	M	91.3	Very high	93.3	Very high	100 Å²	100	54.8 Å²	54.8	49%	0.493	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-98.6	5.2	176.7	-59.1	-175.7	175.5	0	0	112.4	L644 Y645 E646	L644-M648 HydrophobicContact CB-SD 4.47Å; Y645-M648 HydrophobicContact CD2-CE 4.1Å; Y645-M648 HydrophobicContact CD2-SD 4.25Å; Y645-M648 PolarHBondContact O-N 3.35Å; E646-M648 PolarHBondContact O-N 3.21Å
649	I	91.4	Very high	93.3	Very high	24 Å²	24	51.1 Å²	51.1	12%	0.123	25%	0.251	C	S	.	.			trans	-66.9	133.6	-179.7	-71.7	174.6	0	0	0	109.9	V598 G601 S643 E646 T653 L656	V598-I649 HydrophobicContact CG1-CG2 4.24Å; V598-I649 HydrophobicContact CG2-CD1 4.49Å; G601-I649 VanDerWaalsContact O-CG2 3.3Å; G601-I649 WeakPolarHBondContact O-CG2 3.28Å; S643-I649 WeakPolarHBondContact OG-CG1 3.44Å; E646-I649 HydrophobicContact CB-CD1 4.36Å; E646-I649 VanDerWaalsContact O-CB 3.29Å; E646-I649 WeakPolarHBondContact O-CB 3.43Å; E646-I649 VanDerWaalsContact O-CG1 3.26Å; E646-I649 WeakPolarHBondContact O-CG1 3.21Å; E646-I649 PolarHBondContact O-N 3.36Å; I649-T653 WeakPolarHBondContact CG2-OG1 3.4Å; I649-L656 HydrophobicContact CD1-CD1 4.43Å; I649-L656 HydrophobicContact CD1-CD2 4.46Å
650	S	89.6	Confident	93.3	Very high	47 Å²	47	49.3 Å²	49.3	33%	0.329	24%	0.242	S	C	.	.			trans	-118.6	171.5	173.7	84.7	0	0	0	0	110.1	E652 T653	S650-E652 PolarHBondContact O-N 3.19Å; S650-E652 PolarHBondContact OG-N 3.25Å; S650-T653 PolarHBondContact O-N 3.22Å; S650-T653 PolarHBondContact O-OG1 2.79Å
651	K	87.7	Confident	93.4	Very high	170 Å²	170	48.7 Å²	48.7	74%	0.739	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.8	177.3	-66.3	-176.6	-180	179.4	0	113.2
652	E	89.9	Confident	93.4	Very high	149 Å²	149	44.6 Å²	44.6	70%	0.696	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-14.4	-177.5	-62.5	178.8	171.8	0	0	112.7	Q641 S650 T654	Q641-E652 PolarHBondContact OE1-O 3.19Å; S650-E652 PolarHBondContact O-N 3.19Å; S650-E652 PolarHBondContact OG-N 3.25Å; E652-T654 PolarHBondContact O-N 2.77Å
653	T	94.4	Very high	93.4	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.055	21%	0.209	C	C	.	.			trans	-63.1	131	179.7	57.4	0	0	0	0	111.7	Q641 I649 S650	Q641-T653 HydrophobicContact CG-CG2 4.33Å; I649-T653 WeakPolarHBondContact CG2-OG1 3.4Å; S650-T653 PolarHBondContact O-N 3.22Å; S650-T653 PolarHBondContact O-OG1 2.79Å
654	T	94.9	Very high	93.5	Very high	48 Å²	48	43.2 Å²	43.2	29%	0.294	21%	0.211	S	C	.	.			trans	-98.2	-30.1	179.1	58.2	0	0	0	0	111.9	V598 C640 Q641 E652	V598-T654 PolarHBondContact N-O 3.46Å; C640-T654 WeakPolarHBondContact CB-OG1 3.35Å; Q641-T654 PolarHBondContact N-OG1 3.03Å; Q641-T654 PolarHBondContact O-N 2.98Å; Q641-T654 PolarHBondContact O-OG1 3.1Å; E652-T654 PolarHBondContact O-N 2.77Å
655	H	96.5	Very high	93.5	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.019	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	160.5	-175	-63.1	86.3	0	0	0	112.7	I596 E630 L632 C640 Q641 I642 S643	I596-H655 CarbonylContact O-C 3.59Å; I596-H655 VanDerWaalsContact O-CA 3.28Å; I596-H655 WeakPolarHBondContact O-CA 3.45Å; E630-H655 IonicContact OE1-CD2 2.68Å; E630-H655 IonicContact OE1-CE1 3.57Å; E630-H655 IonicContact OE1-NE2 3.23Å; E630-H655 PolarHBondContact OE1-NE2 2.64Å; L632-H655 HydrophobicContact CD1-CB 4.48Å; C640-H655 VanDerWaalsContact SG-CE1 3.57Å; Q641-H655 PolarHBondContact O-N 3.29Å; I642-H655 WeakPolarHBondContact CA-O 3.48Å; I642-H655 HydrophobicContact CG1-CB 4.26Å; S643-H655 PolarHBondContact N-O 3.25Å; S643-H655 PolarHBondContact OG-O 3.47Å; S643-H655 VanDerWaalsContact OG-O 3.1Å
656	L	95.6	Very high	93.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.9	176.1	172.8	69.3	0	0	0	109.8	I596 V598 P603 S643 E646 I649 I658	I596-L656 HydrophobicContact CB-CB 4.15Å; I596-L656 HydrophobicContact CD1-CD2 4.36Å; I596-L656 HydrophobicContact CG2-CB 4.44Å; I596-L656 HydrophobicContact CG2-CD2 4.47Å; I596-L656 PolarHBondContact N-O 2.8Å; I596-L656 PolarHBondContact O-N 3.38Å; V598-L656 HydrophobicContact CG2-CB 3.71Å; P603-L656 HydrophobicContact CB-CD2 4.02Å; S643-L656 VanDerWaalsContact OG-CD1 3.32Å; S643-L656 WeakPolarHBondContact OG-CD1 3.38Å; E646-L656 HydrophobicContact CG-CD2 4.03Å; I649-L656 HydrophobicContact CD1-CD1 4.43Å; I649-L656 HydrophobicContact CD1-CD2 4.46Å; L656-I658 PolarHBondContact O-N 3.38Å
657	E	95.8	Very high	93.9	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	18%	0.18	C	C	.	.			trans	-65.4	128.2	174.8	-166.9	69.6	-109.5	0	0	110.5	K26 W475 R593 Y595 S643	K26-E657 PolarHBondContact NZ-O 2.72Å; W475-E657 PolarHBondContact NE1-OE2 3.17Å; R593-E657 IonicContact CZ-OE1 3.84Å; R593-E657 VanDerWaalsContact CZ-OE1 3.28Å; R593-E657 IonicContact NE-OE1 3.62Å; R593-E657 PolarHBondContact NE-OE1 2.75Å; R593-E657 VanDerWaalsContact NE-OE1 3.08Å; R593-E657 IonicContact NH2-OE1 3.75Å; R593-E657 PolarHBondContact NH2-OE1 3.11Å; Y595-E657 WeakPolarHBondContact CE1-OE1 3.44Å; Y595-E657 WeakPolarHBondContact CE1-OE2 3.49Å; S643-E657 WeakPolarHBondContact O-CB 3.43Å; S643-E657 PolarHBondContact O-N 3.19Å
658	I	94.3	Very high	94.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-63.8	-59	177.1	-66.4	171.1	0	0	0	109.1	K26 L29 M498 P594 I596 V629 L656	K26-I658 WeakPolarHBondContact CD-O 3.28Å; K26-I658 WeakPolarHBondContact CE-O 3.44Å; K26-I658 WeakPolarHBondContact CG-O 3.16Å; L29-I658 HydrophobicContact CB-CG2 4Å; L29-I658 HydrophobicContact CD1-CG2 4.27Å; M498-I658 HydrophobicContact CE-CB 4.49Å; M498-I658 HydrophobicContact CE-CD1 3.4Å; M498-I658 HydrophobicContact CE-CG2 4.22Å; M498-I658 HydrophobicContact SD-CB 4.28Å; M498-I658 HydrophobicContact SD-CD1 3.96Å; M498-I658 HydrophobicContact SD-CG2 4.34Å; P594-I658 HydrophobicContact CB-CD1 4.06Å; P594-I658 HydrophobicContact CG-CD1 4.18Å; P594-I658 WeakPolarHBondContact O-CD1 3.31Å; I596-I658 HydrophobicContact CD1-CG1 4.07Å; I596-I658 HydrophobicContact CG1-CG1 3.86Å; V629-I658 HydrophobicContact CG1-CD1 4.41Å; L656-I658 PolarHBondContact O-N 3.38Å
659	E	94.1	Very high	94.4	Very high	28 Å²	28	25.5 Å²	25.5	13%	0.131	13%	0.129	C	C	.	.			trans	-150.5	123.5	177.7	-83.8	-58.3	150.3	0	0	111.8	K26 W27 F661 T662	K26-E659 WeakPolarHBondContact CG-OE1 3.48Å; W27-E659 HydrophobicContact CB-CG 3.55Å; W27-E659 VanDerWaalsContact CB-OE1 3.25Å; W27-E659 WeakPolarHBondContact CB-OE1 3.32Å; W27-E659 PolarHBondContact N-OE1 3.4Å; E659-F661 HydrophobicContact CB-CD1 3.95Å; E659-F661 HydrophobicContact CB-CE1 3.66Å; E659-F661 HydrophobicContact CB-CZ 4.25Å; E659-F661 HydrophobicContact CG-CD1 4.3Å; E659-F661 HydrophobicContact CG-CE1 3.65Å; E659-F661 HydrophobicContact CG-CZ 4.32Å; E659-F661 PolarHBondContact O-N 2.68Å; E659-F661 WeakPolarHBondContact OE2-CD1 3.39Å; E659-F661 VanDerWaalsContact OE2-CE1 3.3Å; E659-F661 WeakPolarHBondContact OE2-CE1 3.36Å; E659-T662 HydrophobicContact CB-CG2 3.97Å; E659-T662 PolarHBondContact O-N 3.4Å; E659-T662 PolarHBondContact O-OG1 2.89Å
660	P	95.6	Very high	94.7	Very high	10 Å²	10	24.5 Å²	24.5	7%	0.065	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-71.6	-25.5	-173.8	27.2	-34.9	0	0	0	113.7	Y645 T662 L663 F963	Y645-P660 HydrophobicContact CE1-CG 4.05Å; P660-T662 PolarHBondContact O-N 3.11Å; P660-L663 WeakPolarHBondContact O-CB 3.3Å; P660-L663 PolarHBondContact O-N 3.04Å; P660-F963 HydrophobicContact CB-CD2 4.14Å
661	F	96.1	Very high	95.1	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.026	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-67.5	-18.6	-179.4	69.9	-98.7	0	0	0	113.3	L30 E659 L663 L664 K722 T961 A962	L30-F661 HydrophobicContact CD2-CE2 3.61Å; L30-F661 HydrophobicContact CD2-CZ 3.47Å; L30-F661 VanDerWaalsContact CD2-CZ 3.47Å; E659-F661 HydrophobicContact CB-CD1 3.95Å; E659-F661 HydrophobicContact CB-CE1 3.66Å; E659-F661 HydrophobicContact CB-CZ 4.25Å; E659-F661 HydrophobicContact CG-CD1 4.3Å; E659-F661 HydrophobicContact CG-CE1 3.65Å; E659-F661 HydrophobicContact CG-CZ 4.32Å; E659-F661 PolarHBondContact O-N 2.68Å; E659-F661 WeakPolarHBondContact OE2-CD1 3.39Å; E659-F661 VanDerWaalsContact OE2-CE1 3.3Å; E659-F661 WeakPolarHBondContact OE2-CE1 3.36Å; F661-L663 PolarHBondContact O-N 3.13Å; F661-L664 PolarHBondContact O-N 3.27Å; F661-L664 VanDerWaalsContact O-N 3.12Å; F661-K722 HydrophobicContact CZ-CB 4.35Å; F661-T961 HydrophobicContact CB-CG2 3.97Å; F661-T961 HydrophobicContact CD1-CG2 3.99Å; F661-T961 HydrophobicContact CD2-CG2 4.19Å; F661-T961 HydrophobicContact CG-CG2 3.8Å; F661-A962 HydrophobicContact CB-CB 3.91Å
662	T	96.1	Very high	95.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-71.6	-7.4	179.6	64.2	0	0	0	0	113.5	L30 A496 L497 M498 R593 E659 P660 L664	L30-T662 HydrophobicContact CD1-CG2 3.94Å; L30-T662 HydrophobicContact CD2-CG2 3.58Å; L30-T662 HydrophobicContact CG-CG2 4.36Å; A496-T662 WeakPolarHBondContact CB-O 3.46Å; L497-T662 HydrophobicContact CD2-CG2 4.31Å; L497-T662 PolarHBondContact N-O 3.26Å; M498-T662 HydrophobicContact CB-CG2 4.5Å; R593-T662 PolarHBondContact NH1-OG1 3.34Å; R593-T662 PolarHBondContact NH2-OG1 3.37Å; E659-T662 HydrophobicContact CB-CG2 3.97Å; E659-T662 PolarHBondContact O-N 3.4Å; E659-T662 PolarHBondContact O-OG1 2.89Å; P660-T662 PolarHBondContact O-N 3.11Å; T662-L664 PolarHBondContact O-N 3.28Å
663	L	96.7	Very high	96	Very high	17 Å²	17	7.4 Å²	7.4	9%	0.089	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-55.7	-38.5	164.3	174.6	66.7	0	0	0	111.2	W475 G476 P480 P660 F661	W475-L663 HydrophobicContact CD2-CD1 4.21Å; W475-L663 HydrophobicContact CE3-CD1 4.04Å; W475-L663 HydrophobicContact CE3-CD2 3.98Å; W475-L663 HydrophobicContact CH2-CD2 3.81Å; W475-L663 HydrophobicContact CZ2-CD2 4.47Å; W475-L663 HydrophobicContact CZ3-CD1 4.44Å; W475-L663 HydrophobicContact CZ3-CD2 3.53Å; G476-L663 VanDerWaalsContact N-CD1 3.27Å; P480-L663 WeakPolarHBondContact CD-O 3.46Å; P480-L663 HydrophobicContact CG-CD1 4.47Å; P480-L663 HydrophobicContact CG-CD2 4.28Å; P480-L663 HydrophobicContact CG-CG 4.07Å; P660-L663 WeakPolarHBondContact O-CB 3.3Å; P660-L663 PolarHBondContact O-N 3.04Å; F661-L663 PolarHBondContact O-N 3.13Å
664	L	97.1	Very high	96.1	Very high	13 Å²	13	7.3 Å²	7.3	7%	0.068	4%	0.041	C	C	.	.	S	Bend	trans	-78	130.4	173.9	-61.3	-175.6	0	0	0	109.5	P480 F661 T662 A668 P674 A962	P480-L664 HydrophobicContact CG-CD2 3.83Å; F661-L664 PolarHBondContact O-N 3.27Å; F661-L664 VanDerWaalsContact O-N 3.12Å; T662-L664 PolarHBondContact O-N 3.28Å; L664-A668 HydrophobicContact CB-CB 4Å; L664-A668 HydrophobicContact CD2-CB 4.23Å; L664-P674 HydrophobicContact CD1-CB 4.05Å; L664-P674 HydrophobicContact CD1-CG 3.6Å; L664-A962 HydrophobicContact CD1-CB 3.76Å
665	G	94.5	Very high	96.3	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.			trans	-75.1	-171.8	175.3	0	0	0	0	0	113.2	C479 C667 A668 G669	C479-G665 PolarHBondContact SG-N 3.16Å; G665-C667 PolarHBondContact O-N 3.12Å; G665-A668 PolarHBondContact O-N 3.24Å; G665-G669 PolarHBondContact O-N 3.29Å
666	V	94.3	Very high	96.3	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.024	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-50.5	-172.7	175.2	0	0	0	0	113.6	L39 L448 L497 G669 I727	L39-V666 HydrophobicContact CD1-CG2 4.16Å; L39-V666 HydrophobicContact CD2-CG2 4.41Å; L448-V666 HydrophobicContact CB-CG1 4.48Å; L448-V666 HydrophobicContact CD2-CG1 3.56Å; L448-V666 HydrophobicContact CD2-CG2 4.45Å; L448-V666 HydrophobicContact CG-CG1 3.84Å; L448-V666 HydrophobicContact CG-CG2 4.44Å; L497-V666 HydrophobicContact CD1-CG2 4.04Å; V666-G669 PolarHBondContact O-N 2.73Å; V666-I727 HydrophobicContact CG1-CD1 3.87Å; V666-I727 HydrophobicContact CG1-CG2 4.07Å; V666-I727 HydrophobicContact CG2-CG2 4.42Å
667	C	95.6	Very high	96.4	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.007	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-35.7	-176.5	-60.5	0	0	0	0	112.2	I445 D482 G665 G669 L670 K690	I445-C667 HydrophobicContact CG2-CB 4.39Å; D482-C667 WeakPolarHBondContact OD2-CB 3.43Å; G665-C667 PolarHBondContact O-N 3.12Å; C667-G669 VanDerWaalsContact C-N 3.31Å; C667-L670 WeakPolarHBondContact O-CB 3.46Å; C667-L670 WeakPolarHBondContact O-CG 3.14Å; C667-L670 PolarHBondContact O-N 2.63Å; C667-K690 WeakPolarHBondContact SG-CE 3.45Å
668	A	96.9	Very high	96.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-69.6	-31.5	177.8	0	0	0	0	0	111.7	L664 G665 L670 I671 C686	L664-A668 HydrophobicContact CB-CB 4Å; L664-A668 HydrophobicContact CD2-CB 4.23Å; G665-A668 PolarHBondContact O-N 3.24Å; A668-L670 PolarHBondContact O-N 3.36Å; A668-I671 WeakPolarHBondContact O-CD1 3.45Å; A668-I671 PolarHBondContact O-N 3.19Å; A668-C686 VanDerWaalsContact CA-SG 3.52Å
669	G	96.1	Very high	96.6	Very high	4 Å²	4	20.1 Å²	20.1	4%	0.041	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-63.4	-8.5	176.3	0	0	0	0	0	115.1	G665 V666 C667 I671 T721	G665-G669 PolarHBondContact O-N 3.29Å; V666-G669 PolarHBondContact O-N 2.73Å; C667-G669 VanDerWaalsContact C-N 3.31Å; G669-I671 VanDerWaalsContact C-N 3.34Å; G669-T721 WeakPolarHBondContact O-CB 3.45Å; G669-T721 WeakPolarHBondContact O-CG2 3.35Å; G669-T721 PolarHBondContact O-OG1 2.97Å
670	L	97.1	Very high	96.7	Very high	3 Å²	3	21 Å²	21	2%	0.016	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-76.2	-22.6	176.3	-60	178	0	0	0	113.7	I445 C667 A668 I724 I727 F729 R899	I445-L670 HydrophobicContact CB-CD1 4.33Å; I445-L670 HydrophobicContact CD1-CD1 4.06Å; I445-L670 HydrophobicContact CD1-CD2 3.9Å; I445-L670 HydrophobicContact CD1-CG 4.44Å; I445-L670 HydrophobicContact CG1-CD1 3.8Å; I445-L670 HydrophobicContact CG1-CD2 4.34Å; I445-L670 HydrophobicContact CG2-CD1 3.74Å; C667-L670 WeakPolarHBondContact O-CB 3.46Å; C667-L670 WeakPolarHBondContact O-CG 3.14Å; C667-L670 PolarHBondContact O-N 2.63Å; A668-L670 PolarHBondContact O-N 3.36Å; L670-I724 HydrophobicContact CD2-CD1 4.3Å; L670-I724 HydrophobicContact CD2-CG1 3.73Å; L670-I727 HydrophobicContact CD2-CD1 4.07Å; L670-F729 HydrophobicContact CD2-CD1 3.89Å; L670-F729 HydrophobicContact CD2-CE1 4.19Å; L670-F729 HydrophobicContact CD2-CG 4.09Å; L670-R899 PolarHBondContact O-NH1 3.08Å; L670-R899 VanDerWaalsContact O-NH1 3.08Å
671	I	98.3	Very high	96.7	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	12%	0.118	C	C	.	.	S	Bend	trans	-73.6	123.5	-176.4	-59.5	157.2	0	0	0	108.2	A668 G669 P674 N677 N682 Q685 T721	A668-I671 WeakPolarHBondContact O-CD1 3.45Å; A668-I671 PolarHBondContact O-N 3.19Å; G669-I671 VanDerWaalsContact C-N 3.34Å; I671-P674 HydrophobicContact CB-CB 4.12Å; I671-P674 HydrophobicContact CG2-CB 3.8Å; I671-P674 WeakPolarHBondContact O-CD 3.47Å; I671-N677 WeakPolarHBondContact CG2-ND2 3.33Å; I671-N682 HydrophobicContact CD1-CB 3.74Å; I671-Q685 HydrophobicContact CD1-CB 4.02Å; I671-Q685 HydrophobicContact CD1-CG 4.23Å; I671-Q685 HydrophobicContact CG1-CB 3.87Å; I671-Q685 HydrophobicContact CG1-CG 3.59Å; I671-T721 WeakPolarHBondContact O-CG2 3.45Å
672	P	97.7	Very high	96.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-75.7	139.3	168.5	33.7	-32.5	0	0	0	109.2	V719 H900 E944 G960	P672-V719 HydrophobicContact CB-CB 4.49Å; P672-V719 HydrophobicContact CB-CG1 3.87Å; P672-H900 WeakPolarHBondContact CG-NE2 3.26Å; P672-H900 PolarHBondContact O-CE1 3.18Å; P672-E944 HydrophobicContact CG-CB 4.2Å; P672-E944 HydrophobicContact CG-CG 3.93Å; P672-G960 CarbonylContact C-O 3.54Å; P672-G960 WeakPolarHBondContact CA-O 3.5Å
673	Y	97.9	Very high	96.8	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.02	13%	0.127	C	C	.	.	S	Bend	trans	47.9	53.2	179.5	-57.2	-77.2	0	0	0	114.5	H675 H676 V719 I943 Y959 G960 S966	Y673-H675 AromaticContact CD1-CE1 3.87Å; Y673-H675 PolarHBondContact O-N 3.46Å; Y673-H675 VanDerWaalsContact O-N 3.11Å; Y673-H676 PolarHBondContact O-N 2.92Å; Y673-V719 HydrophobicContact CE2-CG1 3.97Å; Y673-I943 HydrophobicContact CD1-CG2 4.36Å; Y673-I943 HydrophobicContact CD2-CB 4.15Å; Y673-I943 HydrophobicContact CD2-CG2 3.81Å; Y673-I943 HydrophobicContact CE1-CG2 4.11Å; Y673-I943 HydrophobicContact CE2-CB 4.31Å; Y673-I943 HydrophobicContact CE2-CG2 3.53Å; Y673-I943 HydrophobicContact CG-CG2 4.21Å; Y673-Y959 PolarHBondContact OH-O 2.76Å; Y673-G960 PolarHBondContact N-O 2.73Å; Y673-S966 PolarHBondContact OH-O 3.31Å; Y673-S966 PolarHBondContact OH-OG 2.95Å
674	P	98	Very high	96.8	Very high	6 Å²	6	26 Å²	26	4%	0.039	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-64.2	-22.4	-174.9	25.9	-34	0	0	0	113.6	L664 I671 H676 N677 N682 A962	L664-P674 HydrophobicContact CD1-CB 4.05Å; L664-P674 HydrophobicContact CD1-CG 3.6Å; I671-P674 HydrophobicContact CB-CB 4.12Å; I671-P674 HydrophobicContact CG2-CB 3.8Å; I671-P674 WeakPolarHBondContact O-CD 3.47Å; P674-H676 PolarHBondContact O-N 3.39Å; P674-N677 PolarHBondContact O-N 3.44Å; P674-N682 PolarHBondContact O-ND2 3.17Å; P674-A962 HydrophobicContact CG-CB 3.53Å
675	H	97.3	Very high	96.8	Very high	72 Å²	72	25.5 Å²	25.5	33%	0.333	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-73.1	-12.7	177.8	57.4	-78.1	0	0	0	113.5	Y673 F963	Y673-H675 AromaticContact CD1-CE1 3.87Å; Y673-H675 PolarHBondContact O-N 3.46Å; Y673-H675 VanDerWaalsContact O-N 3.11Å; H675-F963 HydrophobicContact CB-CD1 4.17Å; H675-F963 HydrophobicContact CB-CE1 4.32Å; H675-F963 PolarHBondContact ND1-N 3.45Å
676	H	97.7	Very high	97	Very high	76 Å²	76	25.5 Å²	25.5	35%	0.352	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-99.3	7.3	173.7	-68.2	94.3	0	0	0	112.9	Y673 P674 V939 G940 I943	Y673-H676 PolarHBondContact O-N 2.92Å; P674-H676 PolarHBondContact O-N 3.39Å; H676-V939 HydrophobicContact CB-CB 4.37Å; H676-V939 PolarHBondContact O-N 2.93Å; H676-G940 PolarHBondContact O-N 3.45Å; H676-I943 HydrophobicContact CB-CD1 4.36Å
677	N	97.4	Very high	97	Very high	15 Å²	15	26.4 Å²	26.4	8%	0.08	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-110.8	150.7	175.2	-57.9	-36.9	0	0	0	109.8	I671 P674 R681 N682 H900 G940	I671-N677 WeakPolarHBondContact CG2-ND2 3.33Å; P674-N677 PolarHBondContact O-N 3.44Å; N677-R681 HydrophobicContact CB-CB 4.41Å; N677-N682 WeakPolarHBondContact CB-OD1 3.39Å; N677-N682 PolarHBondContact ND2-OD1 3.06Å; N677-H900 PolarHBondContact ND2-ND1 2.83Å; N677-H900 PolarHBondContact OD1-ND1 2.98Å; N677-G940 PolarHBondContact OD1-N 2.9Å
678	Q	97.4	Very high	97	Very high	78 Å²	78	27.9 Å²	27.9	36%	0.364	15%	0.148	S	C	.	.			trans	-64.8	144.3	165.8	-156.9	-171	23.2	0	0	111.3	R681 M937	Q678-R681 WeakPolarHBondContact O-CB 3.25Å; Q678-R681 PolarHBondContact O-N 3.43Å; Q678-M937 HydrophobicContact CG-CE 4.13Å
679	S	95.9	Very high	96.9	Very high	82 Å²	82	28.1 Å²	28.1	57%	0.573	15%	0.15	S	C	*	.	H	α-helix	trans	-53.9	-38.7	-173.4	61.1	0	0	0	0	116	R681 N682 T683	S679-R681 PolarHBondContact O-N 2.94Å; S679-N682 PolarHBondContact O-N 3.27Å; S679-T683 PolarHBondContact O-N 2.95Å; S679-T683 PolarHBondContact O-OG1 2.83Å
680	P	96.4	Very high	96.9	Very high	47 Å²	47	29 Å²	29	31%	0.305	15%	0.153	S	C	.	.	H	α-helix	trans	-63.1	-29.8	179.8	-21.9	35.4	0	0	0	112.9	T683 Y684	P680-T683 WeakPolarHBondContact O-CB 3.49Å; P680-T683 PolarHBondContact O-N 3.19Å; P680-Y684 HydrophobicContact CB-CE2 4.46Å; P680-Y684 WeakPolarHBondContact O-CD1 3.29Å; P680-Y684 WeakPolarHBondContact O-CD2 3.48Å; P680-Y684 PolarHBondContact O-N 3.31Å
681	R	96.5	Very high	96.8	Very high	34 Å²	34	31 Å²	31	13%	0.128	16%	0.162	C	C	.	.	H	α-helix	trans	-67.8	-39.5	-179.3	-60.8	-68.5	160.8	-160.4	-6.6	111.6	N677 Q678 S679 T683 Y684 Q685 R936 T938	N677-R681 HydrophobicContact CB-CB 4.41Å; Q678-R681 WeakPolarHBondContact O-CB 3.25Å; Q678-R681 PolarHBondContact O-N 3.43Å; S679-R681 PolarHBondContact O-N 2.94Å; R681-T683 VanDerWaalsContact C-N 3.34Å; R681-Y684 PolarHBondContact O-N 3.05Å; R681-Q685 PolarHBondContact O-N 3.18Å; R681-R936 VanDerWaalsContact NH2-CG 3.3Å; R681-T938 HydrophobicContact CB-CG2 4.04Å; R681-T938 HydrophobicContact CG-CG2 3.61Å
682	N	97.4	Very high	96.7	Very high	13 Å²	13	30.9 Å²	30.9	7%	0.07	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-41.5	174.9	-64.1	-19.9	0	0	0	110.6	I671 P674 N677 S679 Q685 C686	I671-N682 HydrophobicContact CD1-CB 3.74Å; P674-N682 PolarHBondContact O-ND2 3.17Å; N677-N682 WeakPolarHBondContact CB-OD1 3.39Å; N677-N682 PolarHBondContact ND2-OD1 3.06Å; S679-N682 PolarHBondContact O-N 3.27Å; N682-Q685 PolarHBondContact O-N 3.43Å; N682-C686 PolarHBondContact O-N 2.95Å; N682-C686 PolarHBondContact O-SG 2.99Å
683	T	97.2	Very high	96.6	Very high	25 Å²	25	30.9 Å²	30.9	15%	0.153	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-44.9	175.1	-54.6	0	0	0	0	112.2	S481 T483 S679 P680 R681 Q685 C686 A687	S481-T683 WeakPolarHBondContact O-CA 3.01Å; S481-T683 WeakPolarHBondContact O-CG2 3.24Å; S481-T683 PolarHBondContact O-OG1 3.38Å; T483-T683 HydrophobicContact CG2-CG2 3.73Å; T483-T683 WeakPolarHBondContact O-CG2 3.5Å; S679-T683 PolarHBondContact O-N 2.95Å; S679-T683 PolarHBondContact O-OG1 2.83Å; P680-T683 WeakPolarHBondContact O-CB 3.49Å; P680-T683 PolarHBondContact O-N 3.19Å; R681-T683 VanDerWaalsContact C-N 3.34Å; T683-Q685 VanDerWaalsContact C-N 3.35Å; T683-Q685 PolarHBondContact O-N 3.49Å; T683-C686 WeakPolarHBondContact O-CB 3.25Å; T683-C686 PolarHBondContact O-N 3.41Å; T683-A687 PolarHBondContact O-N 2.77Å
684	Y	96.7	Very high	96.4	Very high	67 Å²	67	30.7 Å²	30.7	26%	0.263	16%	0.16	S	C	.	.	H	α-helix	trans	-61.1	-43.4	176.4	-63.3	-19.2	0	0	0	112	E485 P680 R681 C686 A687 M688	E485-Y684 HydrophobicContact CG-CE1 4.22Å; E485-Y684 WeakPolarHBondContact OE1-CE1 3.09Å; E485-Y684 PolarHBondContact OE1-OH 3.37Å; E485-Y684 VanDerWaalsContact OE1-OH 3.1Å; E485-Y684 WeakPolarHBondContact OE2-CE1 3.4Å; P680-Y684 HydrophobicContact CB-CE2 4.46Å; P680-Y684 WeakPolarHBondContact O-CD1 3.29Å; P680-Y684 WeakPolarHBondContact O-CD2 3.48Å; P680-Y684 PolarHBondContact O-N 3.31Å; R681-Y684 PolarHBondContact O-N 3.05Å; Y684-C686 VanDerWaalsContact C-N 3.31Å; Y684-C686 PolarHBondContact O-N 2.68Å; Y684-A687 PolarHBondContact O-N 3.1Å; Y684-A687 VanDerWaalsContact O-N 3.16Å; Y684-M688 WeakPolarHBondContact O-CG 3.32Å; Y684-M688 PolarHBondContact O-N 3.23Å
685	Q	97.6	Very high	96.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-39.9	176	-179.3	58.8	24.3	0	0	112.1	I671 R681 N682 T683 A687 M688 G689 S898 R899	I671-Q685 HydrophobicContact CD1-CB 4.02Å; I671-Q685 HydrophobicContact CD1-CG 4.23Å; I671-Q685 HydrophobicContact CG1-CB 3.87Å; I671-Q685 HydrophobicContact CG1-CG 3.59Å; R681-Q685 PolarHBondContact O-N 3.18Å; N682-Q685 PolarHBondContact O-N 3.43Å; T683-Q685 VanDerWaalsContact C-N 3.35Å; T683-Q685 PolarHBondContact O-N 3.49Å; Q685-A687 PolarHBondContact O-N 3.2Å; Q685-M688 PolarHBondContact O-N 3.34Å; Q685-G689 PolarHBondContact O-N 3.16Å; Q685-S898 PolarHBondContact OE1-O 2.88Å; Q685-R899 VanDerWaalsContact CG-O 3.22Å; Q685-R899 WeakPolarHBondContact CG-O 3.23Å
686	C	96.7	Very high	96.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.007	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-34.6	177.5	-66.5	0	0	0	0	112	D482 A668 N682 T683 Y684 K690	D482-C686 HydrophobicContact CB-CB 4.22Å; A668-C686 VanDerWaalsContact CA-SG 3.52Å; N682-C686 PolarHBondContact O-N 2.95Å; N682-C686 PolarHBondContact O-SG 2.99Å; T683-C686 WeakPolarHBondContact O-CB 3.25Å; T683-C686 PolarHBondContact O-N 3.41Å; Y684-C686 VanDerWaalsContact C-N 3.31Å; Y684-C686 PolarHBondContact O-N 2.68Å; C686-K690 WeakPolarHBondContact O-CG 3.43Å; C686-K690 PolarHBondContact O-NZ 3.24Å
687	A	95.1	Very high	96.1	Very high	22 Å²	22	24.7 Å²	24.7	18%	0.182	13%	0.134	C	C	.	.	H	α-helix	trans	-76.1	-44.3	174.2	0	0	0	0	0	112.4	T683 Y684 Q685 K690 Q691	T683-A687 PolarHBondContact O-N 2.77Å; Y684-A687 PolarHBondContact O-N 3.1Å; Y684-A687 VanDerWaalsContact O-N 3.16Å; Q685-A687 PolarHBondContact O-N 3.2Å; A687-K690 PolarHBondContact O-N 3.35Å; A687-Q691 WeakPolarHBondContact O-CG 3.2Å
688	M	95.6	Very high	96	Very high	33 Å²	33	30.3 Å²	30.3	16%	0.163	16%	0.155	C	C	.	.	H	α-helix	trans	-71.7	-37.8	-176	-65.1	-53.3	99.2	0	0	112.7	Y684 Q685 K690 Q691 A692 L1011	Y684-M688 WeakPolarHBondContact O-CG 3.32Å; Y684-M688 PolarHBondContact O-N 3.23Å; Q685-M688 PolarHBondContact O-N 3.34Å; M688-K690 PolarHBondContact O-N 3.18Å; M688-Q691 CarbonylContact O-C 3.48Å; M688-Q691 WeakPolarHBondContact O-CA 3.44Å; M688-Q691 WeakPolarHBondContact O-CB 3.07Å; M688-Q691 PolarHBondContact O-N 3.26Å; M688-A692 PolarHBondContact O-N 3Å; M688-L1011 HydrophobicContact CB-CD2 4.27Å; M688-L1011 HydrophobicContact CG-CD1 4.49Å; M688-L1011 HydrophobicContact SD-CD1 3.77Å
689	G	95.3	Very high	96	Very high	4 Å²	4	27.4 Å²	27.4	4%	0.041	14%	0.142	C	C	.	.	H	α-helix	trans	-61.3	-28.2	177.4	0	0	0	0	0	113.6	Q685 Q691	Q685-G689 PolarHBondContact O-N 3.16Å; G689-Q691 VanDerWaalsContact C-N 3.31Å
690	K	95.6	Very high	95.9	Very high	24 Å²	24	25.2 Å²	25.2	10%	0.104	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-20.6	171.3	-61.8	-179.5	-173.8	83.2	0	112.8	I445 S446 D482 C667 C686 A687 M688	I445-K690 HydrophobicContact CG2-CG 4.5Å; S446-K690 VanDerWaalsContact CB-O 3.3Å; S446-K690 WeakPolarHBondContact CB-O 3.34Å; D482-K690 IonicContact OD1-NZ 3.53Å; D482-K690 PolarHBondContact OD1-NZ 2.75Å; D482-K690 IonicContact OD2-NZ 3.42Å; D482-K690 PolarHBondContact OD2-NZ 2.93Å; C667-K690 WeakPolarHBondContact SG-CE 3.45Å; C686-K690 WeakPolarHBondContact O-CG 3.43Å; C686-K690 PolarHBondContact O-NZ 3.24Å; A687-K690 PolarHBondContact O-N 3.35Å; M688-K690 PolarHBondContact O-N 3.18Å
691	Q	95.1	Very high	95.9	Very high	43 Å²	43	28.4 Å²	28.4	20%	0.201	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-13.3	-177.7	-60.9	179.7	26	0	0	113.6	A687 M688 G689 K1012	A687-Q691 WeakPolarHBondContact O-CG 3.2Å; M688-Q691 CarbonylContact O-C 3.48Å; M688-Q691 WeakPolarHBondContact O-CA 3.44Å; M688-Q691 WeakPolarHBondContact O-CB 3.07Å; M688-Q691 PolarHBondContact O-N 3.26Å; G689-Q691 VanDerWaalsContact C-N 3.31Å; Q691-K1012 HydrophobicContact CB-CG 4.45Å; Q691-K1012 PolarHBondContact O-N 2.88Å
692	A	96.4	Very high	95.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-59.6	138.2	177.4	0	0	0	0	0	111	S443 M688 A734 Q1009 K1010 L1011	S443-A692 WeakPolarHBondContact CB-O 3.39Å; M688-A692 PolarHBondContact O-N 3Å; A692-A734 HydrophobicContact CB-CB 4.42Å; A692-Q1009 HydrophobicContact CB-CB 3.89Å; A692-Q1009 HydrophobicContact CB-CG 4.42Å; A692-K1010 CarbonylContact C-O 3.38Å; A692-K1010 WeakPolarHBondContact CA-O 3.5Å; A692-L1011 HydrophobicContact CB-CD2 4.28Å
693	M	96	Very high	95.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	14%	0.141	C	C	.	.			trans	-75	145.5	171.2	-54.5	-172.7	176.8	0	0	109.6	Y709 A734 C768 K1010 M1014	M693-Y709 HydrophobicContact CE-CD1 3.54Å; M693-Y709 HydrophobicContact CE-CE1 4.05Å; M693-Y709 HydrophobicContact CE-CG 4.03Å; M693-Y709 HydrophobicContact CG-CG 4.37Å; M693-Y709 HydrophobicContact SD-CD1 4.25Å; M693-Y709 HydrophobicContact SD-CG 4.44Å; M693-A734 CarbonylContact O-C 3.58Å; M693-A734 WeakPolarHBondContact O-CA 3.38Å; M693-C768 HydrophobicContact CE-CB 4.49Å; M693-C768 HydrophobicContact SD-CB 3.49Å; M693-C768 WeakPolarHBondContact SD-CB 3.43Å; M693-K1010 PolarHBondContact N-O 2.82Å; M693-K1010 HydrophobicContact SD-CG 4.49Å; M693-M1014 HydrophobicContact CE-CE 3.51Å; M693-M1014 HydrophobicContact CE-CG 4.14Å; M693-M1014 HydrophobicContact CE-SD 3.7Å
694	G	94.3	Very high	95.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-167.2	-141.8	-179.2	0	0	0	0	0	112.2	L710 L711	G694-L710 VanDerWaalsContact O-CA 3.31Å; G694-L710 WeakPolarHBondContact O-CA 3.3Å; G694-L711 PolarHBondContact O-N 3.4Å; G694-L711 VanDerWaalsContact O-N 3.14Å
695	T	96.1	Very high	95.4	Very high	15 Å²	15	27.8 Å²	27.8	9%	0.092	13%	0.131	C	C	.	.			trans	-106.5	137.1	168.8	47.6	0	0	0	0	109.1	P714 L732 P733	T695-P714 HydrophobicContact CG2-CB 4.38Å; T695-P714 HydrophobicContact CG2-CG 3.73Å; T695-L732 WeakPolarHBondContact OG1-CA 3.24Å; T695-L732 WeakPolarHBondContact OG1-CB 3.44Å; T695-P733 PolarHBondContact N-O 2.99Å; T695-P733 PolarHBondContact OG1-O 2.8Å
696	I	95.2	Very high	95.1	Very high	10 Å²	10	33 Å²	33	5%	0.051	16%	0.163	C	C	.	.			trans	-86.2	-44.7	-177.5	-61.6	173.4	0	0	0	109.7	R441 Q700 M708 L710	R441-I696 HydrophobicContact CB-CG2 4.49Å; R441-I696 VanDerWaalsContact O-CD1 3.24Å; R441-I696 WeakPolarHBondContact O-CD1 3.36Å; I696-Q700 VanDerWaalsContact N-OE1 3.17Å; I696-M708 HydrophobicContact CD1-CB 3.94Å; I696-M708 HydrophobicContact CD1-CE 3.95Å; I696-M708 HydrophobicContact CD1-CG 3.83Å; I696-L710 HydrophobicContact CD1-CD2 3.9Å; I696-L710 HydrophobicContact CG1-CD2 3.87Å
697	G	94.4	Very high	95	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.031	18%	0.179	C	C	.	.			trans	172.6	177.2	-176.7	0	0	0	0	0	111.2	N699 Q700	G697-N699 VanDerWaalsContact C-N 3.34Å; G697-N699 PolarHBondContact O-N 3.26Å; G697-Q700 WeakPolarHBondContact O-CB 3.47Å; G697-Q700 VanDerWaalsContact O-CG 3.26Å; G697-Q700 WeakPolarHBondContact O-CG 3.49Å; G697-Q700 PolarHBondContact O-N 3.48Å
698	Y	96.1	Very high	95.1	Very high	133 Å²	133	35.3 Å²	35.3	52%	0.522	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-67	-33.1	-175.2	-58.1	-28	0	0	0	113.4	L163 Q700 L732	L163-Y698 HydrophobicContact CD1-CE1 4.39Å; L163-Y698 HydrophobicContact CD1-CE2 4.24Å; L163-Y698 WeakPolarHBondContact CD1-OH 3.34Å; L163-Y698 HydrophobicContact CG-CE2 4.49Å; Y698-Q700 VanDerWaalsContact C-N 3.26Å; Y698-Q700 PolarHBondContact O-N 2.89Å; Y698-L732 HydrophobicContact CD1-CD2 3.97Å; Y698-L732 HydrophobicContact CE1-CD2 3.75Å; Y698-L732 HydrophobicContact CE1-CG 4.43Å
699	N	95.8	Very high	95.1	Very high	17 Å²	17	34.7 Å²	34.7	9%	0.091	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-84.1	11.7	-179.7	66.6	-14	0	0	0	114.5	N159 E160 G697 R701 N702 R703	N159-N699 VanDerWaalsContact O-CB 3.29Å; N159-N699 WeakPolarHBondContact O-CB 3.43Å; N159-N699 PolarHBondContact O-ND2 2.88Å; E160-N699 PolarHBondContact OE2-ND2 2.69Å; G697-N699 VanDerWaalsContact C-N 3.34Å; G697-N699 PolarHBondContact O-N 3.26Å; N699-R701 PolarHBondContact O-N 2.85Å; N699-N702 PolarHBondContact O-N 2.75Å; N699-R703 PolarHBondContact O-N 2.87Å; N699-R703 VanDerWaalsContact O-N 3.12Å
700	Q	95.4	Very high	95.3	Very high	37 Å²	37	34.5 Å²	34.5	17%	0.173	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-58.4	-22.3	-176.1	66.4	-173.9	8.9	0	0	114.4	I696 G697 Y698 M708 L710	I696-Q700 VanDerWaalsContact N-OE1 3.17Å; G697-Q700 WeakPolarHBondContact O-CB 3.47Å; G697-Q700 VanDerWaalsContact O-CG 3.26Å; G697-Q700 WeakPolarHBondContact O-CG 3.49Å; G697-Q700 PolarHBondContact O-N 3.48Å; Y698-Q700 VanDerWaalsContact C-N 3.26Å; Y698-Q700 PolarHBondContact O-N 2.89Å; Q700-M708 HydrophobicContact CB-CE 4.01Å; Q700-M708 WeakPolarHBondContact O-CE 3.18Å; Q700-L710 HydrophobicContact CB-CD1 4.49Å; Q700-L710 HydrophobicContact CG-CD1 4.21Å; Q700-L710 VanDerWaalsContact OE1-CD2 3.31Å
701	R	94.9	Very high	95.3	Very high	114 Å²	114	33.8 Å²	33.8	43%	0.43	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-85	-33.8	175.6	-62.7	-62.7	-176.5	165.8	-4.7	113.5	N699 R703 Y771 E866 K867	N699-R701 PolarHBondContact O-N 2.85Å; R701-R703 VanDerWaalsContact C-N 3.31Å; R701-Y771 PolarHBondContact NH1-OH 2.84Å; R701-E866 IonicContact NH1-OE1 3.13Å; R701-E866 PolarHBondContact NH1-OE1 3.37Å; R701-K867 PolarHBondContact O-NZ 2.97Å
702	N	95.2	Very high	95.4	Very high	76 Å²	76	33.6 Å²	33.6	41%	0.406	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-26.4	-179.2	-64.2	-2.1	0	0	0	110.6	N159 N699 K867	N159-N702 PolarHBondContact OD1-ND2 3.42Å; N699-N702 PolarHBondContact O-N 2.75Å; N702-K867 VanDerWaalsContact C-NZ 3.32Å; N702-K867 PolarHBondContact O-NZ 2.83Å
703	R	93.8	Very high	95.5	Very high	13 Å²	13	40.8 Å²	40.8	5%	0.049	20%	0.197	C	C	.	.			trans	-73.4	158.7	-179.9	-165.8	163.6	173.8	131.4	0.3	114.3	E175 N699 R701 D705 K867	E175-R703 IonicContact OE1-CZ 2.81Å; E175-R703 IonicContact OE1-NH1 3.19Å; E175-R703 PolarHBondContact OE1-NH1 3.09Å; E175-R703 IonicContact OE1-NH2 3.63Å; E175-R703 PolarHBondContact OE1-NH2 3.39Å; E175-R703 IonicContact OE2-CZ 3.64Å; E175-R703 IonicContact OE2-NH1 2.81Å; E175-R703 IonicContact OE2-NH2 3.98Å; E175-R703 PolarHBondContact OE2-NH2 3.24Å; N699-R703 PolarHBondContact O-N 2.87Å; N699-R703 VanDerWaalsContact O-N 3.12Å; R701-R703 VanDerWaalsContact C-N 3.31Å; R703-D705 WeakPolarHBondContact CD-OD2 3.39Å; R703-D705 IonicContact CZ-OD1 3.46Å; R703-D705 VanDerWaalsContact CZ-OD1 3.25Å; R703-D705 IonicContact CZ-OD2 3.7Å; R703-D705 IonicContact NE-OD1 3.29Å; R703-D705 PolarHBondContact NE-OD1 3.46Å; R703-D705 IonicContact NE-OD2 3.14Å; R703-D705 PolarHBondContact NE-OD2 3.21Å; R703-D705 IonicContact NH2-OD1 3.14Å; R703-D705 PolarHBondContact NH2-OD1 3.34Å; R703-D705 IonicContact NH2-OD2 2.63Å; R703-K867 PolarHBondContact O-NZ 2.79Å; R703-K867 VanDerWaalsContact O-NZ 3.09Å
704	I	95.6	Very high	95.6	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.051	21%	0.21	C	C	.	.			trans	-136.2	98.4	170.5	-56.2	178.8	0	0	0	108.2	L104 N773 K867 M869 K881 L883	L104-I704 HydrophobicContact CD2-CB 4.14Å; L104-I704 HydrophobicContact CD2-CD1 4.13Å; L104-I704 HydrophobicContact CD2-CG1 3.98Å; I704-N773 HydrophobicContact CG2-CB 4.05Å; I704-K867 HydrophobicContact CD1-CD 4.47Å; I704-M869 HydrophobicContact CD1-CB 3.76Å; I704-M869 HydrophobicContact CD1-CG 4.43Å; I704-K881 HydrophobicContact CD1-CB 4.08Å; I704-K881 HydrophobicContact CG2-CB 4.27Å; I704-K881 HydrophobicContact CG2-CD 4.35Å; I704-L883 HydrophobicContact CG2-CD1 4.3Å
705	D	93.2	Very high	95.7	Very high	26 Å²	26	46.6 Å²	46.6	14%	0.139	23%	0.228	C	C	.	.			trans	-103.8	162.3	174.8	-72.8	-39.4	0	0	0	111.8	R703 L707 M708 N773	R703-D705 WeakPolarHBondContact CD-OD2 3.39Å; R703-D705 IonicContact CZ-OD1 3.46Å; R703-D705 VanDerWaalsContact CZ-OD1 3.25Å; R703-D705 IonicContact CZ-OD2 3.7Å; R703-D705 IonicContact NE-OD1 3.29Å; R703-D705 PolarHBondContact NE-OD1 3.46Å; R703-D705 IonicContact NE-OD2 3.14Å; R703-D705 PolarHBondContact NE-OD2 3.21Å; R703-D705 IonicContact NH2-OD1 3.14Å; R703-D705 PolarHBondContact NH2-OD1 3.34Å; R703-D705 IonicContact NH2-OD2 2.63Å; D705-L707 VanDerWaalsContact C-N 3.27Å; D705-L707 PolarHBondContact O-N 2.75Å; D705-M708 HydrophobicContact CB-CG 3.72Å; D705-M708 HydrophobicContact CB-SD 3.84Å; D705-N773 WeakPolarHBondContact O-CB 3.31Å
706	T	92.4	Very high	95.7	Very high	112 Å²	112	52 Å²	52	69%	0.687	25%	0.247	S	C	*	.	S	Bend	trans	-53.1	-44.3	175.8	-51.2	0	0	0	0	112.9	N773	T706-N773 PolarHBondContact O-N 2.86Å; T706-N773 VanDerWaalsContact O-N 3.16Å
707	L	94.3	Very high	95.8	Very high	67 Å²	67	51.7 Å²	51.7	35%	0.351	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	125.8	-178.4	-178.2	66.5	0	0	0	109.3	D705 Y709 V770 Y771 K772	D705-L707 VanDerWaalsContact C-N 3.27Å; D705-L707 PolarHBondContact O-N 2.75Å; L707-Y709 HydrophobicContact CD1-CE1 4.35Å; L707-Y709 HydrophobicContact CD1-CE2 4.2Å; L707-Y709 HydrophobicContact CD2-CE2 3.56Å; L707-Y709 HydrophobicContact CG-CD2 4.38Å; L707-Y709 HydrophobicContact CG-CE2 3.76Å; L707-V770 HydrophobicContact CD1-CG1 4.01Å; L707-Y771 VanDerWaalsContact CA-O 3.31Å; L707-Y771 WeakPolarHBondContact CA-O 3.45Å; L707-K772 HydrophobicContact CD1-CG 3.96Å
708	M	95.8	Very high	95.9	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.02	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.8	171.9	-62	159.1	54.6	0	0	110.1	I696 Q700 D705 L710 Y771	I696-M708 HydrophobicContact CD1-CB 3.94Å; I696-M708 HydrophobicContact CD1-CE 3.95Å; I696-M708 HydrophobicContact CD1-CG 3.83Å; Q700-M708 HydrophobicContact CB-CE 4.01Å; Q700-M708 WeakPolarHBondContact O-CE 3.18Å; D705-M708 HydrophobicContact CB-CG 3.72Å; D705-M708 HydrophobicContact CB-SD 3.84Å; M708-L710 HydrophobicContact CE-CD1 4.39Å; M708-L710 HydrophobicContact CE-CD2 4.47Å; M708-Y771 HydrophobicContact CB-CD2 4.37Å; M708-Y771 PolarHBondContact N-O 3.23Å; M708-Y771 PolarHBondContact O-N 2.83Å
709	Y	97.3	Very high	96	Very high	19 Å²	19	46.9 Å²	46.9	8%	0.075	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113.7	173.3	-65.1	-72.5	0	0	0	108.9	L442 M693 L707 V770 K1012 M1014	L442-Y709 HydrophobicContact CD2-CD2 3.75Å; L442-Y709 HydrophobicContact CD2-CE2 4.04Å; M693-Y709 HydrophobicContact CE-CD1 3.54Å; M693-Y709 HydrophobicContact CE-CE1 4.05Å; M693-Y709 HydrophobicContact CE-CG 4.03Å; M693-Y709 HydrophobicContact CG-CG 4.37Å; M693-Y709 HydrophobicContact SD-CD1 4.25Å; M693-Y709 HydrophobicContact SD-CG 4.44Å; L707-Y709 HydrophobicContact CD1-CE1 4.35Å; L707-Y709 HydrophobicContact CD1-CE2 4.2Å; L707-Y709 HydrophobicContact CD2-CE2 3.56Å; L707-Y709 HydrophobicContact CG-CD2 4.38Å; L707-Y709 HydrophobicContact CG-CE2 3.76Å; Y709-V770 HydrophobicContact CD1-CB 4.39Å; Y709-V770 HydrophobicContact CD1-CG1 4.07Å; Y709-V770 HydrophobicContact CD1-CG2 3.9Å; Y709-V770 HydrophobicContact CE1-CB 4.35Å; Y709-V770 HydrophobicContact CE1-CG1 3.67Å; Y709-V770 HydrophobicContact CE1-CG2 3.9Å; Y709-K1012 HydrophobicContact CD2-CB 4.09Å; Y709-K1012 HydrophobicContact CE2-CB 3.9Å; Y709-M1014 HydrophobicContact CD1-CE 4.11Å; Y709-M1014 HydrophobicContact CE1-CE 3.52Å
710	L	97.8	Very high	96	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	149.3	176.8	-54.2	-177.1	0	0	0	110.6	G694 I696 Q700 M708 C768 L769 Y771	G694-L710 VanDerWaalsContact O-CA 3.31Å; G694-L710 WeakPolarHBondContact O-CA 3.3Å; I696-L710 HydrophobicContact CD1-CD2 3.9Å; I696-L710 HydrophobicContact CG1-CD2 3.87Å; Q700-L710 HydrophobicContact CB-CD1 4.49Å; Q700-L710 HydrophobicContact CG-CD1 4.21Å; Q700-L710 VanDerWaalsContact OE1-CD2 3.31Å; M708-L710 HydrophobicContact CE-CD1 4.39Å; M708-L710 HydrophobicContact CE-CD2 4.47Å; L710-C768 CarbonylContact O-C 3.57Å; L710-C768 VanDerWaalsContact O-CA 3.29Å; L710-C768 WeakPolarHBondContact O-CA 3.48Å; L710-L769 HydrophobicContact CB-CB 4.27Å; L710-L769 PolarHBondContact N-O 3.34Å; L710-L769 PolarHBondContact O-N 3.04Å; L710-Y771 HydrophobicContact CB-CE2 4.49Å; L710-Y771 HydrophobicContact CD1-CD2 4.21Å; L710-Y771 HydrophobicContact CD1-CE2 3.66Å; L710-Y771 HydrophobicContact CG-CD2 4.31Å; L710-Y771 HydrophobicContact CG-CE2 4.07Å
711	L	97.4	Very high	96	Very high	9 Å²	9	45.7 Å²	45.7	5%	0.047	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	140.1	166.7	-156.7	70.2	0	0	0	109.5	G694 P714 Q736 R767	G694-L711 PolarHBondContact O-N 3.4Å; G694-L711 VanDerWaalsContact O-N 3.14Å; L711-P714 HydrophobicContact CD2-CB 4.37Å; L711-Q736 HydrophobicContact CD2-CG 3.87Å; L711-R767 WeakPolarHBondContact CD1-O 3.36Å
712	A	97	Very high	95.9	Very high	38 Å²	38	42.8 Å²	42.8	31%	0.314	21%	0.211	S	C	.	.	S	Bend	trans	-69.4	-45.5	179.9	0	0	0	0	0	112	P714 R767	A712-P714 WeakPolarHBondContact O-CD 3.35Å; A712-R767 HydrophobicContact CB-CB 4.13Å; A712-R767 HydrophobicContact CB-CG 4.18Å; A712-R767 PolarHBondContact N-O 2.89Å
713	Y	97.8	Very high	95.9	Very high	151 Å²	151	39.3 Å²	39.3	59%	0.592	19%	0.193	S	C	*	.	S	Bend	trans	-126.7	70.7	-175.6	-54.6	-64.1	0	0	0	111.5	Q736	Y713-Q736 WeakPolarHBondContact O-CG 3.46Å; Y713-Q736 PolarHBondContact O-NE2 2.8Å
714	P	97.3	Very high	96	Very high	43 Å²	43	38.8 Å²	38.8	28%	0.279	19%	0.191	S	C	.	.			trans	-69.4	143.1	176.3	35.2	-39	0	0	0	110.9	T695 L711 A712 P733	T695-P714 HydrophobicContact CG2-CB 4.38Å; T695-P714 HydrophobicContact CG2-CG 3.73Å; L711-P714 HydrophobicContact CD2-CB 4.37Å; A712-P714 WeakPolarHBondContact O-CD 3.35Å; P714-P733 HydrophobicContact CB-CG 4.19Å
715	Q	97.4	Very high	95.8	Very high	80 Å²	80	40.5 Å²	40.5	37%	0.374	20%	0.199	S	C	.	.			trans	-122	155.4	179.6	-63.7	177.2	-9.2	0	0	111	P733 G735 Q736 N737 Y1007	Q715-P733 WeakPolarHBondContact O-CB 3.49Å; Q715-P733 VanDerWaalsContact O-CG 3.28Å; Q715-P733 WeakPolarHBondContact O-CG 3.39Å; Q715-G735 PolarHBondContact N-O 2.87Å; Q715-Q736 HydrophobicContact CG-CG 4.32Å; Q715-N737 PolarHBondContact OE1-ND2 2.84Å; Q715-N737 VanDerWaalsContact OE1-ND2 3.14Å; Q715-Y1007 VanDerWaalsContact O-CE2 3.31Å; Q715-Y1007 WeakPolarHBondContact O-CE2 3.45Å; Q715-Y1007 PolarHBondContact O-OH 3.03Å
716	R	96.2	Very high	95.8	Very high	130 Å²	130	41.1 Å²	41.1	49%	0.491	20%	0.202	S	C	.	.			trans	-72.7	144.5	173	-61.2	-173.7	179.3	167.4	6.3	110.3	M718 E730 N737	R716-M718 PolarHBondContact O-N 3.16Å; R716-E730 WeakPolarHBondContact CG-O 3.03Å; R716-E730 PolarHBondContact NE-O 2.84Å; R716-E730 VanDerWaalsContact NE-O 3.13Å; R716-N737 PolarHBondContact O-ND2 3.48Å
717	P	97.3	Very high	95.8	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.019	17%	0.17	C	C	.	.			trans	-63.2	132.6	173.5	-19.2	31.3	0	0	0	111.7	F729 Y1007	P717-F729 HydrophobicContact CG-CE1 4.23Å; P717-Y1007 HydrophobicContact CB-CD2 4.01Å; P717-Y1007 HydrophobicContact CB-CE2 4.24Å; P717-Y1007 HydrophobicContact CB-CG 4.18Å; P717-Y1007 HydrophobicContact CG-CD2 4.21Å; P717-Y1007 HydrophobicContact CG-CE1 4.29Å; P717-Y1007 HydrophobicContact CG-CE2 3.95Å; P717-Y1007 HydrophobicContact CG-CG 4.45Å
718	M	96.2	Very high	95.8	Very high	33 Å²	33	35 Å²	35	16%	0.163	17%	0.166	C	C	.	.	S	Bend	trans	-66.8	-44	178.2	-166.3	57.8	57.6	0	0	112.5	R716 N737 V952 F957	R716-M718 PolarHBondContact O-N 3.16Å; M718-N737 PolarHBondContact N-OD1 2.95Å; M718-V952 HydrophobicContact CE-CG1 3.34Å; M718-V952 HydrophobicContact CG-CG1 3.95Å; M718-V952 HydrophobicContact SD-CG1 3.58Å; M718-V952 VanDerWaalsContact SD-CG1 3.58Å; M718-F957 HydrophobicContact CE-CE1 4.14Å; M718-F957 HydrophobicContact SD-CD1 3.72Å; M718-F957 HydrophobicContact SD-CE1 3.72Å
719	V	97.3	Very high	95.7	Very high	2 Å²	2	35 Å²	35	1%	0.012	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	111	170.2	-177.2	0	0	0	0	108.3	P672 Y673 R899 E944 A947 H958	P672-V719 HydrophobicContact CB-CB 4.49Å; P672-V719 HydrophobicContact CB-CG1 3.87Å; Y673-V719 HydrophobicContact CE2-CG1 3.97Å; V719-R899 PolarHBondContact O-NH1 2.83Å; V719-R899 VanDerWaalsContact O-NH1 3.1Å; V719-R899 PolarHBondContact O-NH2 3.45Å; V719-E944 HydrophobicContact CB-CG 4.15Å; V719-E944 HydrophobicContact CG2-CG 4.11Å; V719-E944 WeakPolarHBondContact CG2-O 3.44Å; V719-A947 HydrophobicContact CG2-CB 3.89Å; V719-H958 WeakPolarHBondContact CA-O 3.35Å
720	K	95.5	Very high	95.6	Very high	25 Å²	25	36.1 Å²	36.1	11%	0.109	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	166.6	-178.6	56.4	175.6	170.6	170.6	0	111.8	I724 E725 E730 H958 Y959 G960	K720-I724 HydrophobicContact CB-CG2 4.48Å; K720-E725 HydrophobicContact CD-CG 4.2Å; K720-E725 WeakPolarHBondContact CD-OE1 3.38Å; K720-E725 WeakPolarHBondContact CE-OE1 2.84Å; K720-E725 IonicContact NZ-OE1 3.99Å; K720-E725 PolarHBondContact NZ-OE1 3.09Å; K720-E730 IonicContact NZ-OE2 2.93Å; K720-E730 PolarHBondContact NZ-OE2 2.84Å; K720-H958 PolarHBondContact N-O 3.24Å; K720-Y959 HydrophobicContact CD-CE1 4.35Å; K720-Y959 HydrophobicContact CG-CD1 4.2Å; K720-Y959 HydrophobicContact CG-CE1 4.12Å; K720-Y959 CarbonylContact O-C 3.59Å; K720-Y959 VanDerWaalsContact O-CA 3.22Å; K720-Y959 WeakPolarHBondContact O-CA 3.48Å; K720-G960 PolarHBondContact O-N 2.92Å
721	T	96.1	Very high	95.5	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.025	19%	0.191	C	C	.	.			trans	-111.6	155.2	171.8	62.7	0	0	0	0	107.9	G669 I671 T723 I724	G669-T721 WeakPolarHBondContact O-CB 3.45Å; G669-T721 WeakPolarHBondContact O-CG2 3.35Å; G669-T721 PolarHBondContact O-OG1 2.97Å; I671-T721 WeakPolarHBondContact O-CG2 3.45Å; T721-T723 PolarHBondContact O-N 2.67Å; T721-I724 WeakPolarHBondContact O-CB 3.36Å; T721-I724 PolarHBondContact O-N 2.75Å; T721-I724 WeakPolarHBondContact OG1-CG1 3.49Å; T721-I724 PolarHBondContact OG1-N 3.18Å; T721-I724 VanDerWaalsContact OG1-N 3.16Å
722	K	93.4	Very high	95.4	Very high	52 Å²	52	40.5 Å²	40.5	23%	0.226	19%	0.19	C	C	.	.	H	α-helix	trans	-56.8	-34.9	171.9	-70.5	-174.1	176.1	-175.4	0	111.4	W27 F661 I724 E725 L726 Y959 T961	W27-K722 VanDerWaalsContact CD1-NZ 3.34Å; W27-K722 HydrophobicContact CD2-CD 4.21Å; W27-K722 HydrophobicContact CE3-CD 4.13Å; W27-K722 HydrophobicContact CZ3-CD 4.47Å; F661-K722 HydrophobicContact CZ-CB 4.35Å; K722-I724 VanDerWaalsContact C-N 3.33Å; K722-I724 PolarHBondContact O-N 3.41Å; K722-E725 WeakPolarHBondContact O-CB 3.3Å; K722-E725 PolarHBondContact O-N 3.01Å; K722-L726 WeakPolarHBondContact O-CG 3.36Å; K722-L726 PolarHBondContact O-N 3.05Å; K722-L726 VanDerWaalsContact O-N 3.17Å; K722-Y959 HydrophobicContact CG-CD1 4.23Å; K722-Y959 HydrophobicContact CG-CE1 4.32Å; K722-T961 HydrophobicContact CB-CG2 4.32Å; K722-T961 PolarHBondContact N-OG1 3.06Å
723	T	94.8	Very high	95.4	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-37.8	176	-48	0	0	0	0	113	L497 T721 E725 L726 I727	L497-T723 HydrophobicContact CD1-CG2 4.21Å; L497-T723 HydrophobicContact CD2-CG2 4.16Å; T721-T723 PolarHBondContact O-N 2.67Å; T723-E725 VanDerWaalsContact C-N 3.26Å; T723-E725 PolarHBondContact O-N 3.47Å; T723-L726 PolarHBondContact O-N 3.01Å; T723-I727 WeakPolarHBondContact O-CG1 3.24Å; T723-I727 WeakPolarHBondContact O-CG2 3.45Å; T723-I727 PolarHBondContact O-N 2.79Å; T723-I727 VanDerWaalsContact O-N 3.16Å
724	I	95.4	Very high	95.3	Very high	1 Å²	1	32 Å²	32	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-37.4	177.1	-80.1	166.3	0	0	0	111.7	L670 K720 T721 K722 I727 D728 F729 E730	L670-I724 HydrophobicContact CD2-CD1 4.3Å; L670-I724 HydrophobicContact CD2-CG1 3.73Å; K720-I724 HydrophobicContact CB-CG2 4.48Å; T721-I724 WeakPolarHBondContact O-CB 3.36Å; T721-I724 PolarHBondContact O-N 2.75Å; T721-I724 WeakPolarHBondContact OG1-CG1 3.49Å; T721-I724 PolarHBondContact OG1-N 3.18Å; T721-I724 VanDerWaalsContact OG1-N 3.16Å; K722-I724 VanDerWaalsContact C-N 3.33Å; K722-I724 PolarHBondContact O-N 3.41Å; I724-I727 WeakPolarHBondContact O-CG1 3.2Å; I724-D728 PolarHBondContact O-N 3.5Å; I724-F729 HydrophobicContact CG1-CD1 4.22Å; I724-F729 HydrophobicContact CG2-CB 4.18Å; I724-F729 HydrophobicContact CG2-CD1 4.06Å; I724-F729 PolarHBondContact O-N 3.31Å; I724-E730 HydrophobicContact CG2-CB 4.33Å
725	E	92.3	Very high	95.3	Very high	47 Å²	47	30 Å²	30	22%	0.22	14%	0.138	C	C	.	.	H	α-helix	trans	-71	-44.4	178.4	-59.3	-178.4	154.1	0	0	111.1	K720 K722 T723 I727 D728 Y959	K720-E725 HydrophobicContact CD-CG 4.2Å; K720-E725 WeakPolarHBondContact CD-OE1 3.38Å; K720-E725 WeakPolarHBondContact CE-OE1 2.84Å; K720-E725 IonicContact NZ-OE1 3.99Å; K720-E725 PolarHBondContact NZ-OE1 3.09Å; K722-E725 WeakPolarHBondContact O-CB 3.3Å; K722-E725 PolarHBondContact O-N 3.01Å; T723-E725 VanDerWaalsContact C-N 3.26Å; T723-E725 PolarHBondContact O-N 3.47Å; E725-I727 PolarHBondContact O-N 2.88Å; E725-D728 PolarHBondContact O-N 3.31Å; E725-Y959 WeakPolarHBondContact OE1-CE1 3.08Å; E725-Y959 PolarHBondContact OE1-OH 3.17Å
726	L	92.1	Very high	95.3	Very high	38 Å²	38	26.8 Å²	26.8	20%	0.199	12%	0.122	C	C	.	.	H	α-helix	trans	-61.4	-30.9	179.9	-65.4	172.1	0	0	0	113.3	L30 P31 L34 L497 K722 T723	L30-L726 HydrophobicContact CD2-CD1 3.31Å; L30-L726 HydrophobicContact CG-CD1 3.82Å; P31-L726 HydrophobicContact CB-CD2 4.12Å; P31-L726 HydrophobicContact CG-CD2 3.77Å; L34-L726 HydrophobicContact CD1-CB 3.95Å; L34-L726 HydrophobicContact CD1-CD1 4.14Å; L34-L726 HydrophobicContact CD1-CD2 4.27Å; L34-L726 HydrophobicContact CD1-CG 4.35Å; L497-L726 HydrophobicContact CD2-CD1 4.03Å; K722-L726 WeakPolarHBondContact O-CG 3.36Å; K722-L726 PolarHBondContact O-N 3.05Å; K722-L726 VanDerWaalsContact O-N 3.17Å; T723-L726 PolarHBondContact O-N 3.01Å
727	I	93.5	Very high	95.4	Very high	3 Å²	3	22 Å²	22	2%	0.015	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	4.4	177.6	71.4	-179.5	0	0	0	113	L39 Y444 I445 L448 V666 L670 T723 I724 E725 F729	L39-I727 HydrophobicContact CD1-CG2 3.68Å; Y444-I727 VanDerWaalsContact CE1-O 3.22Å; Y444-I727 WeakPolarHBondContact CE1-O 2.92Å; Y444-I727 PolarHBondContact OH-O 2.87Å; I445-I727 HydrophobicContact CD1-CD1 3.6Å; L448-I727 HydrophobicContact CD2-CB 4.19Å; L448-I727 HydrophobicContact CD2-CG2 4.38Å; V666-I727 HydrophobicContact CG1-CD1 3.87Å; V666-I727 HydrophobicContact CG1-CG2 4.07Å; V666-I727 HydrophobicContact CG2-CG2 4.42Å; L670-I727 HydrophobicContact CD2-CD1 4.07Å; T723-I727 WeakPolarHBondContact O-CG1 3.24Å; T723-I727 WeakPolarHBondContact O-CG2 3.45Å; T723-I727 PolarHBondContact O-N 2.79Å; T723-I727 VanDerWaalsContact O-N 3.16Å; I724-I727 WeakPolarHBondContact O-CG1 3.2Å; E725-I727 PolarHBondContact O-N 2.88Å; I727-F729 HydrophobicContact CD1-CB 3.85Å; I727-F729 HydrophobicContact CG1-CB 3.72Å; I727-F729 PolarHBondContact O-N 3.16Å; I727-F729 VanDerWaalsContact O-N 3.14Å
728	D	94.7	Very high	95.4	Very high	49 Å²	49	21.8 Å²	21.8	26%	0.262	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	24.3	-177.2	-75.7	-54.8	0	0	0	114.8	L163 I724 E725 E730 K731	L163-D728 HydrophobicContact CD2-CB 3.85Å; L163-D728 WeakPolarHBondContact CD2-OD2 3.24Å; I724-D728 PolarHBondContact O-N 3.5Å; E725-D728 PolarHBondContact O-N 3.31Å; D728-E730 PolarHBondContact O-N 2.67Å; D728-K731 HydrophobicContact CB-CD 4.21Å; D728-K731 WeakPolarHBondContact O-CB 3.44Å; D728-K731 PolarHBondContact O-N 3.1Å; D728-K731 VanDerWaalsContact O-N 3.11Å; D728-K731 WeakPolarHBondContact OD1-CE 3.31Å; D728-K731 IonicContact OD1-NZ 2.75Å; D728-K731 PolarHBondContact OD1-NZ 3.05Å; D728-K731 IonicContact OD2-NZ 3.24Å
729	F	93.9	Very high	95.5	Very high	3 Å²	3	22.1 Å²	22.1	1%	0.013	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-25.7	-178.3	175	-104.6	0	0	0	112.5	Y444 I445 L670 P717 I724 I727 K731 L732 P733 A734	Y444-F729 HydrophobicContact CD1-CD2 4.4Å; I445-F729 HydrophobicContact CD1-CB 4.27Å; I445-F729 HydrophobicContact CD1-CD2 3.58Å; I445-F729 HydrophobicContact CD1-CE2 4.16Å; I445-F729 HydrophobicContact CD1-CG 4.08Å; I445-F729 HydrophobicContact CG1-CD2 3.44Å; I445-F729 VanDerWaalsContact CG1-CD2 3.44Å; I445-F729 HydrophobicContact CG1-CE2 3.5Å; I445-F729 VanDerWaalsContact CG1-CE2 3.5Å; I445-F729 HydrophobicContact CG1-CG 4.33Å; I445-F729 HydrophobicContact CG1-CZ 4.44Å; L670-F729 HydrophobicContact CD2-CD1 3.89Å; L670-F729 HydrophobicContact CD2-CE1 4.19Å; L670-F729 HydrophobicContact CD2-CG 4.09Å; P717-F729 HydrophobicContact CG-CE1 4.23Å; I724-F729 HydrophobicContact CG1-CD1 4.22Å; I724-F729 HydrophobicContact CG2-CB 4.18Å; I724-F729 HydrophobicContact CG2-CD1 4.06Å; I724-F729 PolarHBondContact O-N 3.31Å; I727-F729 HydrophobicContact CD1-CB 3.85Å; I727-F729 HydrophobicContact CG1-CB 3.72Å; I727-F729 PolarHBondContact O-N 3.16Å; I727-F729 VanDerWaalsContact O-N 3.14Å; F729-K731 PolarHBondContact O-N 3.23Å; F729-L732 CarbonylContact O-C 3.24Å; F729-L732 PolarHBondContact O-N 3.02Å; F729-P733 WeakPolarHBondContact O-CA 3.25Å; F729-A734 HydrophobicContact CE2-CB 3.94Å; F729-A734 HydrophobicContact CZ-CB 3.94Å
730	E	93.7	Very high	95.6	Very high	42 Å²	42	22 Å²	22	20%	0.196	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.5	174.6	60.5	163	-145.1	0	0	113.8	R716 K720 I724 D728	R716-E730 WeakPolarHBondContact CG-O 3.03Å; R716-E730 PolarHBondContact NE-O 2.84Å; R716-E730 VanDerWaalsContact NE-O 3.13Å; K720-E730 IonicContact NZ-OE2 2.93Å; K720-E730 PolarHBondContact NZ-OE2 2.84Å; I724-E730 HydrophobicContact CG2-CB 4.33Å; D728-E730 PolarHBondContact O-N 2.67Å
731	K	95.8	Very high	95.7	Very high	96 Å²	96	20.9 Å²	20.9	42%	0.417	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-32.8	174.1	-67.2	176.8	-179.3	152.5	0	111.8	L163 D728 F729 P733	L163-K731 HydrophobicContact CD1-CB 4.02Å; L163-K731 HydrophobicContact CD1-CD 4.01Å; L163-K731 HydrophobicContact CD2-CD 4.44Å; D728-K731 HydrophobicContact CB-CD 4.21Å; D728-K731 WeakPolarHBondContact O-CB 3.44Å; D728-K731 PolarHBondContact O-N 3.1Å; D728-K731 VanDerWaalsContact O-N 3.11Å; D728-K731 WeakPolarHBondContact OD1-CE 3.31Å; D728-K731 IonicContact OD1-NZ 2.75Å; D728-K731 PolarHBondContact OD1-NZ 3.05Å; D728-K731 IonicContact OD2-NZ 3.24Å; F729-K731 PolarHBondContact O-N 3.23Å; K731-P733 VanDerWaalsContact C-CD 3.43Å
732	L	95.9	Very high	95.8	Very high	7 Å²	7	21.5 Å²	21.5	4%	0.037	11%	0.108	C	C	.	.	S	Bend	trans	-126.8	64.3	-177.9	-62.5	172.6	0	0	0	111.2	L163 Y444 T695 Y698 F729	L163-L732 HydrophobicContact CB-CD1 4.21Å; L163-L732 HydrophobicContact CD1-CD1 3.7Å; L163-L732 HydrophobicContact CD1-CG 4.02Å; Y444-L732 HydrophobicContact CD2-CD1 3.88Å; Y444-L732 HydrophobicContact CE2-CD1 4.36Å; Y444-L732 HydrophobicContact CG-CB 4.48Å; Y444-L732 HydrophobicContact CG-CD1 4.28Å; T695-L732 WeakPolarHBondContact OG1-CA 3.24Å; T695-L732 WeakPolarHBondContact OG1-CB 3.44Å; Y698-L732 HydrophobicContact CD1-CD2 3.97Å; Y698-L732 HydrophobicContact CE1-CD2 3.75Å; Y698-L732 HydrophobicContact CE1-CG 4.43Å; F729-L732 CarbonylContact O-C 3.24Å; F729-L732 PolarHBondContact O-N 3.02Å
733	P	96.9	Very high	96	Very high	8 Å²	8	20 Å²	20	5%	0.052	10%	0.102	C	C	.	.			trans	-73.8	162.1	-173.6	27.3	-30.1	0	0	0	112.7	T695 P714 Q715 F729 K731	T695-P733 PolarHBondContact N-O 2.99Å; T695-P733 PolarHBondContact OG1-O 2.8Å; P714-P733 HydrophobicContact CB-CG 4.19Å; Q715-P733 WeakPolarHBondContact O-CB 3.49Å; Q715-P733 VanDerWaalsContact O-CG 3.28Å; Q715-P733 WeakPolarHBondContact O-CG 3.39Å; F729-P733 WeakPolarHBondContact O-CA 3.25Å; K731-P733 VanDerWaalsContact C-CD 3.43Å
734	A	96.2	Very high	96.1	Very high	3 Å²	3	22.9 Å²	22.9	3%	0.025	12%	0.122	C	C	.	.			trans	-130	63.8	-175.9	0	0	0	0	0	112.6	A692 M693 F729 Y1007 Q1009	A692-A734 HydrophobicContact CB-CB 4.42Å; M693-A734 CarbonylContact O-C 3.58Å; M693-A734 WeakPolarHBondContact O-CA 3.38Å; F729-A734 HydrophobicContact CE2-CB 3.94Å; F729-A734 HydrophobicContact CZ-CB 3.94Å; A734-Y1007 VanDerWaalsContact C-OH 3.25Å; A734-Y1007 PolarHBondContact N-OH 2.84Å; A734-Q1009 WeakPolarHBondContact O-CG 2.99Å
735	G	96.6	Very high	96	Very high	1 Å²	1	24 Å²	24	1%	0.01	13%	0.126	C	C	.	.			trans	163.5	-175.7	-177.1	0	0	0	0	0	113.1	Q715 Y1007 Y1008	Q715-G735 PolarHBondContact N-O 2.87Å; G735-Y1007 VanDerWaalsContact CA-CZ 3.49Å; G735-Y1007 WeakPolarHBondContact CA-OH 3.18Å; G735-Y1007 PolarHBondContact N-OH 3.38Å; G735-Y1008 VanDerWaalsContact CA-O 3.3Å; G735-Y1008 WeakPolarHBondContact CA-O 3.33Å
736	Q	98.1	Very high	96	Very high	11 Å²	11	24.7 Å²	24.7	5%	0.051	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	144.4	178.6	-77.7	170.8	-21.6	0	0	109.3	L711 Y713 Q715 A738 F765 Y1008	L711-Q736 HydrophobicContact CD2-CG 3.87Å; Y713-Q736 WeakPolarHBondContact O-CG 3.46Å; Y713-Q736 PolarHBondContact O-NE2 2.8Å; Q715-Q736 HydrophobicContact CG-CG 4.32Å; Q736-A738 PolarHBondContact O-N 3.33Å; Q736-F765 HydrophobicContact CB-CD2 4.45Å; Q736-F765 HydrophobicContact CB-CE2 4.02Å; Q736-Y1008 PolarHBondContact N-O 3.32Å; Q736-Y1008 PolarHBondContact O-N 2.91Å
737	N	98.1	Very high	96.1	Very high	29 Å²	29	25 Å²	25	16%	0.155	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	121.7	168	-55.4	-77	0	0	0	107.3	Q715 R716 M718 Y1007	Q715-N737 PolarHBondContact OE1-ND2 2.84Å; Q715-N737 VanDerWaalsContact OE1-ND2 3.14Å; R716-N737 PolarHBondContact O-ND2 3.48Å; M718-N737 PolarHBondContact N-OD1 2.95Å; N737-Y1007 WeakPolarHBondContact OD1-CD2 3.42Å
738	A	98	Very high	96.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	140.6	176.7	0	0	0	0	0	108.8	Q736 V740 F765 D925 I926 P1005 V1006 Y1008	Q736-A738 PolarHBondContact O-N 3.33Å; A738-V740 HydrophobicContact CB-CG2 4.11Å; A738-V740 PolarHBondContact O-N 3.32Å; A738-F765 HydrophobicContact CB-CE2 3.78Å; A738-F765 HydrophobicContact CB-CZ 3.73Å; A738-D925 HydrophobicContact CB-CB 4.29Å; A738-I926 HydrophobicContact CB-CD1 3.89Å; A738-I926 HydrophobicContact CB-CG1 4Å; A738-P1005 CarbonylContact O-C 3.56Å; A738-P1005 WeakPolarHBondContact O-CA 3.15Å; A738-V1006 PolarHBondContact N-O 2.84Å; A738-V1006 PolarHBondContact O-N 3.13Å; A738-Y1008 HydrophobicContact CB-CD2 4.3Å
739	T	98.3	Very high	96.2	Very high	40 Å²	40	29.3 Å²	29.3	25%	0.245	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	115.2	167.5	-52	0	0	0	0	108.1	I922 D925 I926 F1003	T739-I922 HydrophobicContact CG2-CG2 3.93Å; T739-D925 WeakPolarHBondContact CB-OD2 3.17Å; T739-D925 PolarHBondContact N-OD2 3.45Å; T739-D925 PolarHBondContact O-N 3.44Å; T739-D925 PolarHBondContact OG1-OD2 3.35Å; T739-I926 PolarHBondContact O-N 3.49Å; T739-F1003 HydrophobicContact CG2-CD1 4.11Å; T739-F1003 HydrophobicContact CG2-CE1 3.23Å; T739-F1003 HydrophobicContact CG2-CZ 3.61Å
740	V	98.2	Very high	96.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129	-173.1	-176.9	0	0	0	0	110.9	A738 I926 M928 F1003 G1004 V1006 Y1008	A738-V740 HydrophobicContact CB-CG2 4.11Å; A738-V740 PolarHBondContact O-N 3.32Å; V740-I926 WeakPolarHBondContact CA-O 3.23Å; V740-I926 HydrophobicContact CG2-CB 4.27Å; V740-M928 HydrophobicContact CG1-CB 4.23Å; V740-F1003 WeakPolarHBondContact O-CA 3.38Å; V740-G1004 PolarHBondContact N-O 3.22Å; V740-G1004 PolarHBondContact O-N 2.88Å; V740-G1004 VanDerWaalsContact O-N 3.13Å; V740-V1006 HydrophobicContact CB-CB 4.38Å; V740-V1006 HydrophobicContact CB-CG2 4.11Å; V740-V1006 HydrophobicContact CG2-CB 3.78Å; V740-V1006 HydrophobicContact CG2-CG2 4.08Å; V740-Y1008 HydrophobicContact CG2-CD2 4.15Å; V740-Y1008 HydrophobicContact CG2-CE2 3.79Å
741	A	98	Very high	96	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.8	165.6	0	0	0	0	0	109.3	M743 P924 I926 I927 M928 I1001 F1003	A741-M743 HydrophobicContact CB-CG 4.45Å; A741-P924 HydrophobicContact CB-CB 3.79Å; A741-P924 HydrophobicContact CB-CG 3.95Å; A741-I926 PolarHBondContact N-O 3.2Å; A741-I927 HydrophobicContact CB-CG1 4.43Å; A741-I927 WeakPolarHBondContact O-CA 3.37Å; A741-M928 PolarHBondContact O-N 3.25Å; A741-I1001 HydrophobicContact CB-CG2 3.98Å; A741-F1003 HydrophobicContact CB-CD2 3.68Å; A741-F1003 HydrophobicContact CB-CE2 3.76Å
742	V	97.8	Very high	95.8	Very high	18 Å²	18	39 Å²	39	11%	0.109	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	96.1	173.2	-174	0	0	0	0	109.1	M928 P930 Y933 L945 Y1002	V742-M928 CarbonylContact C-O 3.58Å; V742-M928 VanDerWaalsContact CA-O 3.28Å; V742-M928 WeakPolarHBondContact CA-O 3.42Å; V742-P930 HydrophobicContact CG1-CB 4.01Å; V742-Y933 HydrophobicContact CG1-CD2 4.32Å; V742-Y933 HydrophobicContact CG1-CE2 3.61Å; V742-Y933 HydrophobicContact CG2-CE2 4.36Å; V742-Y933 WeakPolarHBondContact CG2-OH 3.4Å; V742-L945 HydrophobicContact CG2-CD1 4.47Å; V742-Y1002 HydrophobicContact CG2-CD1 4.08Å; V742-Y1002 PolarHBondContact N-O 3.21Å
743	M	97	Very high	95.7	Very high	21 Å²	21	39.6 Å²	39.6	10%	0.103	22%	0.219	C	C	.	.	S	Bend	trans	-156.6	161.7	178.5	65.2	-178.9	-70	0	0	110.2	A741 Y745 P916 I927 M928 P930 L997 I1001	A741-M743 HydrophobicContact CB-CG 4.45Å; M743-Y745 HydrophobicContact CE-CD2 4.25Å; M743-P916 HydrophobicContact CE-CG 4.42Å; M743-P916 HydrophobicContact SD-CB 4.44Å; M743-P916 HydrophobicContact SD-CG 3.68Å; M743-I927 HydrophobicContact CG-CG2 3.67Å; M743-I927 VanDerWaalsContact O-CG2 3.28Å; M743-I927 WeakPolarHBondContact O-CG2 3.44Å; M743-M928 PolarHBondContact N-O 3.41Å; M743-M928 VanDerWaalsContact N-O 3.07Å; M743-M928 CarbonylContact O-C 3.49Å; M743-P930 VanDerWaalsContact C-CD 3.48Å; M743-L997 HydrophobicContact CE-CD1 3.78Å; M743-L997 HydrophobicContact SD-CD1 4.35Å; M743-I1001 HydrophobicContact CB-CD1 3.94Å; M743-I1001 HydrophobicContact CB-CG2 4.13Å; M743-I1001 HydrophobicContact CG-CG2 4.38Å; M743-I1001 HydrophobicContact SD-CD1 4.37Å; M743-I1001 HydrophobicContact SD-CG1 4.3Å; M743-I1001 HydrophobicContact SD-CG2 4.21Å
744	S	96.7	Very high	95.7	Very high	63 Å²	63	39.5 Å²	39.5	44%	0.441	22%	0.218	S	C	.	.			trans	-89	127.3	171.3	-54.8	0	0	0	0	109.1	D749 N929	S744-D749 WeakPolarHBondContact CA-OD2 3.43Å; S744-N929 PolarHBondContact OG-OD1 3.05Å
745	Y	95.1	Very high	95.8	Very high	26 Å²	26	39.4 Å²	39.4	10%	0.102	22%	0.217	C	C	.	.			trans	-141.5	134.5	-174.6	-175.7	-97.7	0	0	0	112.3	M743 G747 D749 V755 V910 D914 I927 I992	M743-Y745 HydrophobicContact CE-CD2 4.25Å; Y745-G747 PolarHBondContact O-N 3.31Å; Y745-D749 PolarHBondContact N-OD2 2.78Å; Y745-V755 HydrophobicContact CD1-CG1 4.3Å; Y745-V755 HydrophobicContact CD1-CG2 4.49Å; Y745-V910 HydrophobicContact CE1-CG1 4.23Å; Y745-D914 PolarHBondContact OH-O 2.98Å; Y745-I927 HydrophobicContact CD1-CD1 3.91Å; Y745-I927 HydrophobicContact CD2-CD1 4.3Å; Y745-I927 HydrophobicContact CG-CD1 3.76Å; Y745-I992 HydrophobicContact CE2-CD1 4.05Å; Y745-I992 WeakPolarHBondContact OH-CD1 3.31Å
746	S	91.5	Very high	95.9	Very high	61 Å²	61	39.3 Å²	39.3	43%	0.427	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	-13	175	73.7	0	0	0	0	118.1	Y748	S746-Y748 VanDerWaalsContact C-N 3.29Å; S746-Y748 WeakPolarHBondContact O-CD2 3.49Å; S746-Y748 PolarHBondContact O-N 3.06Å
747	G	94.1	Very high	95.9	Very high	45 Å²	45	38.9 Å²	38.9	46%	0.464	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	3.3	-176.9	0	0	0	0	0	114.6	Y745 D749 I750	Y745-G747 PolarHBondContact O-N 3.31Å; G747-D749 VanDerWaalsContact C-N 3.31Å; G747-I750 WeakPolarHBondContact O-CG1 3.39Å
748	Y	95.9	Very high	95.9	Very high	141 Å²	141	42.4 Å²	42.4	55%	0.553	23%	0.228	S	C	*	.	S	Bend	trans	-91.8	9.7	174.4	-73.1	-97.2	0	0	0	113.1	S746 A753 L908	S746-Y748 VanDerWaalsContact C-N 3.29Å; S746-Y748 WeakPolarHBondContact O-CD2 3.49Å; S746-Y748 PolarHBondContact O-N 3.06Å; Y748-A753 WeakPolarHBondContact O-CB 3.14Å; Y748-L908 HydrophobicContact CD1-CB 4.36Å; Y748-L908 HydrophobicContact CD2-CD2 3.86Å; Y748-L908 HydrophobicContact CE2-CD2 4.44Å; Y748-L908 HydrophobicContact CG-CB 3.98Å; Y748-L908 HydrophobicContact CG-CD2 4.11Å; Y748-L908 HydrophobicContact CG-CG 4.45Å
749	D	94.8	Very high	95.9	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.236	C	C	.	.			trans	-121.8	19.3	-175.7	64.3	-15.8	0	0	0	113.5	S744 Y745 G747 V755 N929	S744-D749 WeakPolarHBondContact CA-OD2 3.43Å; Y745-D749 PolarHBondContact N-OD2 2.78Å; G747-D749 VanDerWaalsContact C-N 3.31Å; D749-V755 HydrophobicContact CB-CG2 4.15Å; D749-N929 HydrophobicContact CB-CB 4.2Å; D749-N929 WeakPolarHBondContact O-CB 3.41Å; D749-N929 PolarHBondContact O-ND2 3.23Å
750	I	93.1	Very high	95.9	Very high	115 Å²	115	41.8 Å²	41.8	59%	0.59	23%	0.227	S	C	*	.	S	Bend	trans	-64	-61	-172.7	-55.6	-59.7	0	0	0	112.6	G747	G747-I750 WeakPolarHBondContact O-CG1 3.39Å
751	E	90.7	Very high	95.9	Very high	177 Å²	177	41.8 Å²	41.8	83%	0.827	23%	0.227	S	C	*	.	S	Bend	trans	-107.1	85.9	-177	-68.6	-166.7	162.1	0	0	111.7	A753	E751-A753 PolarHBondContact O-N 2.62Å
752	D	90	Very high	95.9	Very high	51 Å²	51	45.6 Å²	45.6	27%	0.273	25%	0.247	S	C	.	.	S	Bend	trans	59.7	0.5	178.7	-67.1	-34.6	0	0	0	116.4	G904 R936	D752-G904 WeakPolarHBondContact O-CA 3.42Å; D752-R936 VanDerWaalsContact CG-NH1 3.31Å; D752-R936 IonicContact OD1-CZ 2.81Å; D752-R936 IonicContact OD1-NH1 2.69Å; D752-R936 PolarHBondContact OD1-NH1 2.98Å; D752-R936 IonicContact OD1-NH2 2.98Å; D752-R936 PolarHBondContact OD1-NH2 3.04Å; D752-R936 IonicContact OD2-CZ 2.68Å; D752-R936 IonicContact OD2-NH1 2.81Å; D752-R936 PolarHBondContact OD2-NH1 2.84Å; D752-R936 IonicContact OD2-NH2 2.64Å; D752-R936 PolarHBondContact OD2-NH2 2.98Å
753	A	95.7	Very high	95.9	Very high	20 Å²	20	52.8 Å²	52.8	17%	0.165	27%	0.272	C	S	.	.			trans	-68.5	149.1	175.8	0	0	0	0	0	110.4	Y748 E751 V905	Y748-A753 WeakPolarHBondContact O-CB 3.14Å; E751-A753 PolarHBondContact O-N 2.62Å; A753-V905 CarbonylContact C-O 3.55Å; A753-V905 VanDerWaalsContact CA-O 3.31Å; A753-V905 WeakPolarHBondContact CA-O 3.42Å
754	L	96.6	Very high	95.8	Very high	7 Å²	7	52 Å²	52	4%	0.037	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.3	-176.2	-39.8	167.4	0	0	0	107.7	F896 V905 G907 I926 Y1008	L754-F896 HydrophobicContact CD1-CB 3.67Å; L754-F896 HydrophobicContact CD1-CD2 4.34Å; L754-F896 HydrophobicContact CD1-CG 4.31Å; L754-V905 PolarHBondContact N-O 3.3Å; L754-G907 PolarHBondContact O-N 3.4Å; L754-I926 HydrophobicContact CB-CG2 4.19Å; L754-Y1008 HydrophobicContact CD1-CE1 4.34Å
755	V	98.1	Very high	95.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.6	167.9	-176	0	0	0	0	108.3	Y745 D749 L908 V910 M915 I926 I927	Y745-V755 HydrophobicContact CD1-CG1 4.3Å; Y745-V755 HydrophobicContact CD1-CG2 4.49Å; D749-V755 HydrophobicContact CB-CG2 4.15Å; V755-L908 WeakPolarHBondContact CA-O 3.48Å; V755-L908 HydrophobicContact CG1-CB 4.27Å; V755-L908 HydrophobicContact CG2-CB 4.33Å; V755-V910 HydrophobicContact CG1-CB 4.41Å; V755-V910 HydrophobicContact CG1-CG1 3.84Å; V755-V910 HydrophobicContact CG1-CG2 3.73Å; V755-M915 HydrophobicContact CG1-CE 4.27Å; V755-I926 WeakPolarHBondContact O-CA 3.47Å; V755-I927 HydrophobicContact CB-CB 4.24Å; V755-I927 PolarHBondContact N-O 2.93Å; V755-I927 PolarHBondContact O-N 3.07Å
756	L	98.1	Very high	95.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.1	-178.9	-60.3	-175.7	0	0	0	111.4	L761 F896 C906 L908 I909 V910 I926	L756-L761 HydrophobicContact CB-CD1 4.34Å; L756-L761 HydrophobicContact CD1-CD1 4.48Å; L756-L761 HydrophobicContact CD1-CD2 4.39Å; L756-F896 HydrophobicContact CD1-CE2 3.82Å; L756-F896 HydrophobicContact CD1-CZ 4.17Å; L756-C906 HydrophobicContact CD1-CB 3.89Å; L756-C906 VanDerWaalsContact CD1-SG 3.52Å; L756-C906 HydrophobicContact CG-CB 4.41Å; L756-L908 PolarHBondContact N-O 3.3Å; L756-I909 WeakPolarHBondContact O-CA 3.44Å; L756-V910 PolarHBondContact O-N 3.37Å; L756-I926 HydrophobicContact CD2-CB 4.23Å; L756-I926 HydrophobicContact CD2-CD1 3.92Å; L756-I926 HydrophobicContact CD2-CG1 3.56Å; L756-I926 HydrophobicContact CD2-CG2 4.16Å
757	N	98.3	Very high	96.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	123	173.9	-171.5	-21.9	0	0	0	111.7	A759 S760 L761 M915 P924 D925	N757-A759 PolarHBondContact O-N 3.24Å; N757-A759 PolarHBondContact OD1-N 3.3Å; N757-S760 PolarHBondContact O-N 3.28Å; N757-L761 WeakPolarHBondContact O-CG 3.28Å; N757-L761 PolarHBondContact O-N 2.99Å; N757-M915 HydrophobicContact CB-CE 3.71Å; N757-M915 HydrophobicContact CB-CG 4.42Å; N757-P924 WeakPolarHBondContact CB-O 3.48Å; N757-P924 PolarHBondContact ND2-O 2.93Å; N757-D925 PolarHBondContact N-O 2.98Å
758	K	98.3	Very high	96.4	Very high	104 Å²	104	47.1 Å²	47.1	45%	0.452	22%	0.22	S	C	.	.	H	α-helix	trans	-57.7	-46.6	178.7	-171.9	178.8	173.7	-176.5	0	111.7	S760 L761 D762 R889 I909 V910	K758-S760 VanDerWaalsContact C-N 3.31Å; K758-S760 PolarHBondContact O-N 3.06Å; K758-L761 WeakPolarHBondContact O-CB 3.49Å; K758-L761 PolarHBondContact O-N 3.14Å; K758-L761 VanDerWaalsContact O-N 3.12Å; K758-D762 PolarHBondContact O-N 3.17Å; K758-R889 PolarHBondContact O-NH2 3.35Å; K758-I909 HydrophobicContact CB-CG2 3.7Å; K758-I909 HydrophobicContact CG-CG2 4.1Å; K758-V910 VanDerWaalsContact CB-O 3.26Å; K758-V910 WeakPolarHBondContact CB-O 3.5Å; K758-V910 PolarHBondContact N-O 2.87Å
759	A	98.2	Very high	96.4	Very high	19 Å²	19	41.4 Å²	41.4	16%	0.157	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-36	-177.1	0	0	0	0	0	111.7	N757 L761 D762 R763 Q912	N757-A759 PolarHBondContact O-N 3.24Å; N757-A759 PolarHBondContact OD1-N 3.3Å; A759-L761 VanDerWaalsContact C-N 3.35Å; A759-D762 PolarHBondContact O-N 2.96Å; A759-R763 WeakPolarHBondContact O-CB 3.35Å; A759-R763 VanDerWaalsContact O-CG 3.28Å; A759-R763 WeakPolarHBondContact O-CG 3.46Å; A759-R763 PolarHBondContact O-N 2.81Å; A759-Q912 HydrophobicContact CB-CB 3.69Å; A759-Q912 HydrophobicContact CB-CG 4.41Å; A759-Q912 VanDerWaalsContact CB-OE1 3.29Å
760	S	98	Very high	96.6	Very high	8 Å²	8	41.3 Å²	41.3	6%	0.056	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-41.9	173.6	-56.3	0	0	0	0	111.4	N757 K758 R763 G764 F765 D925	N757-S760 PolarHBondContact O-N 3.28Å; K758-S760 VanDerWaalsContact C-N 3.31Å; K758-S760 PolarHBondContact O-N 3.06Å; S760-R763 PolarHBondContact O-N 2.82Å; S760-G764 PolarHBondContact O-N 3.43Å; S760-G764 VanDerWaalsContact O-N 3.1Å; S760-F765 WeakPolarHBondContact O-CB 3.44Å; S760-F765 PolarHBondContact O-N 3.24Å; S760-D925 WeakPolarHBondContact CB-OD1 3.5Å; S760-D925 PolarHBondContact OG-OD1 3.43Å
761	L	97.9	Very high	96.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.8	-37.1	174.4	-62.1	177.1	0	0	0	112.9	L756 N757 K758 A759 G764 F765 R889 P890 I909	L756-L761 HydrophobicContact CB-CD1 4.34Å; L756-L761 HydrophobicContact CD1-CD1 4.48Å; L756-L761 HydrophobicContact CD1-CD2 4.39Å; N757-L761 WeakPolarHBondContact O-CG 3.28Å; N757-L761 PolarHBondContact O-N 2.99Å; K758-L761 WeakPolarHBondContact O-CB 3.49Å; K758-L761 PolarHBondContact O-N 3.14Å; K758-L761 VanDerWaalsContact O-N 3.12Å; A759-L761 VanDerWaalsContact C-N 3.35Å; L761-G764 PolarHBondContact O-N 2.99Å; L761-F765 HydrophobicContact CD2-CB 4.43Å; L761-F765 HydrophobicContact CD2-CD1 3.95Å; L761-F765 WeakPolarHBondContact CD2-O 3.37Å; L761-R889 HydrophobicContact CB-CG 4.48Å; L761-P890 HydrophobicContact CD2-CB 3.71Å; L761-P890 HydrophobicContact CD2-CG 3.57Å; L761-I909 HydrophobicContact CD1-CD1 3.83Å; L761-I909 HydrophobicContact CD1-CG1 4.12Å; L761-I909 HydrophobicContact CD1-CG2 3.91Å
762	D	97.4	Very high	96.9	Very high	80 Å²	80	31.1 Å²	31.1	43%	0.428	15%	0.146	S	C	.	.	H	α-helix	trans	-64.4	-44.8	175.1	-76.1	-49.1	0	0	0	111.3	K758 A759 G764 R889	K758-D762 PolarHBondContact O-N 3.17Å; A759-D762 PolarHBondContact O-N 2.96Å; D762-G764 PolarHBondContact O-N 3.42Å; D762-R889 IonicContact OD1-CZ 3.36Å; D762-R889 IonicContact OD1-NH1 3.02Å; D762-R889 PolarHBondContact OD1-NH1 3.47Å; D762-R889 IonicContact OD1-NH2 2.73Å; D762-R889 PolarHBondContact OD1-NH2 2.79Å; D762-R889 IonicContact OD2-CZ 2.92Å; D762-R889 IonicContact OD2-NH1 3.27Å; D762-R889 IonicContact OD2-NH2 2.69Å; D762-R889 PolarHBondContact OD2-NH2 2.89Å
763	R	97.7	Very high	97.1	Very high	168 Å²	168	30.3 Å²	30.3	63%	0.634	14%	0.142	S	C	*	.	H	α-helix	trans	-65.1	-24.3	176.2	-69.9	173.7	-172.7	119.3	5.6	113.5	A759 S760	A759-R763 WeakPolarHBondContact O-CB 3.35Å; A759-R763 VanDerWaalsContact O-CG 3.28Å; A759-R763 WeakPolarHBondContact O-CG 3.46Å; A759-R763 PolarHBondContact O-N 2.81Å; S760-R763 PolarHBondContact O-N 2.82Å
764	G	96.6	Very high	97	Very high	6 Å²	6	31.1 Å²	31.1	6%	0.062	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	131	8.2	172.4	0	0	0	0	0	116.1	S760 L761 D762 G766 R767	S760-G764 PolarHBondContact O-N 3.43Å; S760-G764 VanDerWaalsContact O-N 3.1Å; L761-G764 PolarHBondContact O-N 2.99Å; D762-G764 PolarHBondContact O-N 3.42Å; G764-G766 PolarHBondContact O-N 3.18Å; G764-R767 WeakPolarHBondContact O-CB 3.36Å; G764-R767 PolarHBondContact O-N 3.5Å
765	F	98	Very high	96.9	Very high	20 Å²	20	35.7 Å²	35.7	9%	0.088	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	130	174.8	-173.4	-102.1	0	0	0	111.1	Q736 A738 S760 L761 R767 F896 I926	Q736-F765 HydrophobicContact CB-CD2 4.45Å; Q736-F765 HydrophobicContact CB-CE2 4.02Å; A738-F765 HydrophobicContact CB-CE2 3.78Å; A738-F765 HydrophobicContact CB-CZ 3.73Å; S760-F765 WeakPolarHBondContact O-CB 3.44Å; S760-F765 PolarHBondContact O-N 3.24Å; L761-F765 HydrophobicContact CD2-CB 4.43Å; L761-F765 HydrophobicContact CD2-CD1 3.95Å; L761-F765 WeakPolarHBondContact CD2-O 3.37Å; F765-R767 PolarHBondContact O-N 3.22Å; F765-R767 VanDerWaalsContact O-N 3.14Å; F765-F896 HydrophobicContact CE1-CE1 4.22Å; F765-I926 HydrophobicContact CE1-CD1 4.02Å; F765-I926 HydrophobicContact CE1-CG1 4.2Å; F765-I926 HydrophobicContact CZ-CD1 3.85Å; F765-I926 HydrophobicContact CZ-CG1 4.21Å
766	G	95.9	Very high	96.7	Very high	1 Å²	1	36 Å²	36	1%	0.01	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	14.2	178.2	0	0	0	0	0	115.9	G764 C768 P890 K1010	G764-G766 PolarHBondContact O-N 3.18Å; G766-C768 PolarHBondContact O-N 2.81Å; G766-P890 WeakPolarHBondContact O-CD 3.43Å; G766-P890 VanDerWaalsContact O-CG 3.29Å; G766-P890 WeakPolarHBondContact O-CG 3.33Å; G766-K1010 VanDerWaalsContact O-CD 3.24Å; G766-K1010 WeakPolarHBondContact O-CD 3.22Å; G766-K1010 PolarHBondContact O-NZ 2.84Å
767	R	97.8	Very high	96.4	Very high	71 Å²	71	38.6 Å²	38.6	27%	0.268	18%	0.18	S	C	.	.			trans	-65.4	121	-179.2	-172.8	68.2	64.5	95.4	4.8	110.8	L711 A712 G764 F765 T887 R888	L711-R767 WeakPolarHBondContact CD1-O 3.36Å; A712-R767 HydrophobicContact CB-CB 4.13Å; A712-R767 HydrophobicContact CB-CG 4.18Å; A712-R767 PolarHBondContact N-O 2.89Å; G764-R767 WeakPolarHBondContact O-CB 3.36Å; G764-R767 PolarHBondContact O-N 3.5Å; F765-R767 PolarHBondContact O-N 3.22Å; F765-R767 VanDerWaalsContact O-N 3.14Å; R767-T887 HydrophobicContact CG-CG2 4.22Å; R767-R888 WeakPolarHBondContact CD-O 3.48Å
768	C	96.9	Very high	96.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	153.6	-179.4	62.4	0	0	0	0	113	M693 L710 G766 R888 K1010	M693-C768 HydrophobicContact CE-CB 4.49Å; M693-C768 HydrophobicContact SD-CB 3.49Å; M693-C768 WeakPolarHBondContact SD-CB 3.43Å; L710-C768 CarbonylContact O-C 3.57Å; L710-C768 VanDerWaalsContact O-CA 3.29Å; L710-C768 WeakPolarHBondContact O-CA 3.48Å; G766-C768 PolarHBondContact O-N 2.81Å; C768-R888 PolarHBondContact N-O 3.17Å; C768-R888 PolarHBondContact O-N 2.6Å; C768-R888 PolarHBondContact SG-O 3.19Å; C768-R888 VanDerWaalsContact SG-O 3.39Å; C768-K1010 PolarHBondContact SG-NZ 3.5Å
769	L	97.2	Very high	95.6	Very high	20 Å²	20	41.6 Å²	41.6	11%	0.105	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.8	175.1	-52.3	174.1	0	0	0	107.6	L710 Y771 T887	L710-L769 HydrophobicContact CB-CB 4.27Å; L710-L769 PolarHBondContact N-O 3.34Å; L710-L769 PolarHBondContact O-N 3.04Å; L769-Y771 HydrophobicContact CB-CD2 4.38Å; L769-Y771 HydrophobicContact CB-CE2 3.57Å; L769-Y771 HydrophobicContact CD1-CE2 4.36Å; L769-T887 HydrophobicContact CD2-CG2 3.94Å; L769-T887 WeakPolarHBondContact CD2-OG1 3.22Å
770	V	97.4	Very high	95	Very high	0 Å²	0	49 Å²	49	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.4	177.3	-173	0	0	0	0	108	L707 Y709 Q886 R888 M1014	L707-V770 HydrophobicContact CD1-CG1 4.01Å; Y709-V770 HydrophobicContact CD1-CB 4.39Å; Y709-V770 HydrophobicContact CD1-CG1 4.07Å; Y709-V770 HydrophobicContact CD1-CG2 3.9Å; Y709-V770 HydrophobicContact CE1-CB 4.35Å; Y709-V770 HydrophobicContact CE1-CG1 3.67Å; Y709-V770 HydrophobicContact CE1-CG2 3.9Å; V770-Q886 HydrophobicContact CB-CB 4.36Å; V770-Q886 PolarHBondContact N-O 2.75Å; V770-Q886 PolarHBondContact O-N 2.76Å; V770-R888 HydrophobicContact CG2-CG 4.28Å; V770-M1014 HydrophobicContact CG2-CE 3.81Å
771	Y	96.8	Very high	94.5	Very high	5 Å²	5	51 Å²	51	2%	0.02	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135	174.3	-63.9	-92.9	0	0	0	110.3	R701 L707 M708 L710 L769 E866 L883 L884 R885	R701-Y771 PolarHBondContact NH1-OH 2.84Å; L707-Y771 VanDerWaalsContact CA-O 3.31Å; L707-Y771 WeakPolarHBondContact CA-O 3.45Å; M708-Y771 HydrophobicContact CB-CD2 4.37Å; M708-Y771 PolarHBondContact N-O 3.23Å; M708-Y771 PolarHBondContact O-N 2.83Å; L710-Y771 HydrophobicContact CB-CE2 4.49Å; L710-Y771 HydrophobicContact CD1-CD2 4.21Å; L710-Y771 HydrophobicContact CD1-CE2 3.66Å; L710-Y771 HydrophobicContact CG-CD2 4.31Å; L710-Y771 HydrophobicContact CG-CE2 4.07Å; L769-Y771 HydrophobicContact CB-CD2 4.38Å; L769-Y771 HydrophobicContact CB-CE2 3.57Å; L769-Y771 HydrophobicContact CD1-CE2 4.36Å; Y771-E866 VanDerWaalsContact CE1-OE2 3.31Å; Y771-E866 WeakPolarHBondContact CE1-OE2 3.39Å; Y771-L883 HydrophobicContact CD1-CD1 3.99Å; Y771-L883 HydrophobicContact CD1-CD2 3.91Å; Y771-L883 HydrophobicContact CD1-CG 3.85Å; Y771-L883 HydrophobicContact CE1-CD2 4.37Å; Y771-L883 HydrophobicContact CG-CD1 4.36Å; Y771-L884 CarbonylContact C-O 3.58Å; Y771-L884 VanDerWaalsContact CA-O 3.24Å; Y771-L884 WeakPolarHBondContact CA-O 3.41Å; Y771-R885 HydrophobicContact CD1-CB 3.98Å; Y771-R885 HydrophobicContact CD1-CG 4.29Å; Y771-R885 HydrophobicContact CE1-CB 3.69Å; Y771-R885 HydrophobicContact CE1-CG 3.72Å; Y771-R885 WeakPolarHBondContact OH-CD 3.28Å
772	K	94.8	Very high	93.8	Very high	73 Å²	73	56.6 Å²	56.6	32%	0.317	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.5	174.1	-68.8	179.7	-179.3	173.9	0	109.3	L707 L884 D1017	L707-K772 HydrophobicContact CD1-CG 3.96Å; K772-L884 PolarHBondContact N-O 3.16Å; K772-L884 PolarHBondContact O-N 2.91Å; K772-D1017 IonicContact NZ-OD1 3.52Å
773	N	93.9	Very high	93	Very high	33 Å²	33	54.7 Å²	54.7	18%	0.176	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.6	174.4	178	14.4	0	0	0	110.6	I704 D705 T706 I882	I704-N773 HydrophobicContact CG2-CB 4.05Å; D705-N773 WeakPolarHBondContact O-CB 3.31Å; T706-N773 PolarHBondContact O-N 2.86Å; T706-N773 VanDerWaalsContact O-N 3.16Å; N773-I882 WeakPolarHBondContact CA-O 3.43Å; N773-I882 PolarHBondContact OD1-O 3.35Å
774	T	94.1	Very high	92.2	Very high	37 Å²	37	53.8 Å²	53.8	23%	0.227	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126	163.3	-57	0	0	0	0	108.2	L826 I855 I882	T774-L826 HydrophobicContact CG2-CD1 4.05Å; T774-I855 HydrophobicContact CG2-CG2 3.5Å; T774-I882 PolarHBondContact N-O 3.12Å; T774-I882 PolarHBondContact O-N 3.27Å
775	K	93.5	Very high	91.7	Very high	103 Å²	103	54.6 Å²	54.6	45%	0.448	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	143.2	-179.6	73.1	-179.6	-168.8	172.2	0	112.4	D106 I880 K881	D106-K775 IonicContact OD2-NZ 3.4Å; D106-K775 PolarHBondContact OD2-NZ 3.21Å; K775-I880 CarbonylContact C-O 3.55Å; K775-I880 WeakPolarHBondContact CA-O 3.33Å; K775-K881 HydrophobicContact CB-CG 4.16Å
776	C	93.9	Very high	91.2	Very high	7 Å²	7	59.1 Å²	59.1	5%	0.047	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.4	175	-178.5	0	0	0	0	108.8	V827 I855 I880	C776-V827 HydrophobicContact CB-CB 4.45Å; C776-V827 HydrophobicContact CB-CG1 4.42Å; C776-V827 HydrophobicContact CB-CG2 4.19Å; C776-I855 HydrophobicContact CB-CG1 4.28Å; C776-I880 HydrophobicContact CB-CB 4.32Å; C776-I880 PolarHBondContact N-O 3.05Å; C776-I880 PolarHBondContact O-N 3.39Å
777	I	92.3	Very high	91	Very high	54 Å²	54	59.3 Å²	59.3	28%	0.277	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.8	175.3	-58.5	169.9	0	0	0	107.1	R779 K829 A877 F878 L879	I777-R779 HydrophobicContact CG2-CG 4Å; I777-K829 PolarHBondContact O-NZ 3.04Å; I777-A877 HydrophobicContact CG2-CB 4.41Å; I777-F878 CarbonylContact C-O 3.54Å; I777-F878 WeakPolarHBondContact CA-O 3.43Å; I777-L879 HydrophobicContact CD1-CD1 4.42Å; I777-L879 HydrophobicContact CG1-CD1 3.71Å
778	L	91.6	Very high	90.7	Very high	18 Å²	18	58.9 Å²	58.9	9%	0.094	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	109.1	172.3	-53.7	177.9	0	0	0	107.7	D787 V789 K829 A877 F878 I880	L778-D787 HydrophobicContact CB-CB 3.97Å; L778-D787 HydrophobicContact CD2-CB 3.91Å; L778-V789 HydrophobicContact CD1-CG2 3.59Å; L778-V789 HydrophobicContact CD2-CG2 3.92Å; L778-V789 HydrophobicContact CG-CG2 4.37Å; L778-K829 HydrophobicContact CD2-CD 4.03Å; L778-K829 HydrophobicContact CD2-CG 3.91Å; L778-A877 WeakPolarHBondContact O-CB 3.25Å; L778-F878 HydrophobicContact CB-CB 4.13Å; L778-F878 HydrophobicContact CD1-CB 4Å; L778-F878 HydrophobicContact CG-CB 4.31Å; L778-F878 PolarHBondContact N-O 3.35Å; L778-F878 PolarHBondContact O-N 3.31Å; L778-I880 HydrophobicContact CD1-CD1 4.28Å
779	R	87.9	Confident	90.5	Very high	150 Å²	150	60.6 Å²	60.6	57%	0.566	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-91	148.8	-175.2	-64.9	-177.2	179.5	179.1	-1.2	110.6	I777 F786 D787	I777-R779 HydrophobicContact CG2-CG 4Å; R779-F786 WeakPolarHBondContact O-CA 3.08Å; R779-D787 PolarHBondContact N-OD2 2.88Å; R779-D787 PolarHBondContact O-N 3.06Å
780	R	85.9	Confident	90.3	Very high	176 Å²	176	63.5 Å²	63.5	66%	0.664	30%	0.296	S	S	*	.	B	Isolated β-bridge	trans	-98.2	133.9	162.5	-167.8	174.2	-178.2	-177.1	-0.5	108.8
781	Y	86	Confident	90.1	Very high	49 Å²	49	65.1 Å²	65.1	19%	0.192	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-99.2	163.8	-178.6	-63.4	-84.6	0	0	0	110.8	N783 Q784 T785 D787 P832 T835	Y781-N783 VanDerWaalsContact C-N 3.25Å; Y781-N783 VanDerWaalsContact CB-OD1 3.27Å; Y781-N783 WeakPolarHBondContact CB-OD1 3.21Å; Y781-N783 PolarHBondContact O-N 3.03Å; Y781-Q784 PolarHBondContact O-N 2.91Å; Y781-Q784 VanDerWaalsContact O-N 3.08Å; Y781-T785 PolarHBondContact N-O 3.02Å; Y781-D787 PolarHBondContact OH-OD1 2.81Å; Y781-P832 HydrophobicContact CD2-CG 3.79Å; Y781-P832 HydrophobicContact CE2-CG 3.66Å; Y781-T835 HydrophobicContact CD1-CG2 3.93Å; Y781-T835 HydrophobicContact CE1-CG2 3.54Å; Y781-T835 HydrophobicContact CE2-CG2 4.32Å; Y781-T835 HydrophobicContact CG-CG2 4.45Å
782	T	83.6	Confident	89.9	Confident	118 Å²	118	66.5 Å²	66.5	72%	0.724	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.6	-177.3	52	0	0	0	0	113	Q784	T782-Q784 PolarHBondContact O-N 3.06Å; T782-Q784 VanDerWaalsContact O-N 3.1Å
783	N	81.7	Confident	89.7	Confident	39 Å²	39	68.4 Å²	68.4	21%	0.209	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	15.7	174.2	68.2	-6.6	0	0	0	113.4	Y781 T785 V834	Y781-N783 VanDerWaalsContact C-N 3.25Å; Y781-N783 VanDerWaalsContact CB-OD1 3.27Å; Y781-N783 WeakPolarHBondContact CB-OD1 3.21Å; Y781-N783 PolarHBondContact O-N 3.03Å; N783-T785 PolarHBondContact ND2-OG1 3.17Å; N783-T785 PolarHBondContact O-N 3.04Å; N783-T785 WeakPolarHBondContact OD1-CB 3.4Å; N783-T785 PolarHBondContact OD1-N 3.33Å; N783-T785 VanDerWaalsContact OD1-N 3.12Å; N783-T785 PolarHBondContact OD1-OG1 2.77Å; N783-V834 PolarHBondContact ND2-O 3.27Å
784	Q	81.4	Confident	89.6	Confident	149 Å²	149	71.7 Å²	71.7	70%	0.696	35%	0.351	S	S	*	.	S	Bend	trans	64.2	0.4	-177.2	-53	-177.7	1	0	0	115.8	Y781 T782	Y781-Q784 PolarHBondContact O-N 2.91Å; Y781-Q784 VanDerWaalsContact O-N 3.08Å; T782-Q784 PolarHBondContact O-N 3.06Å; T782-Q784 VanDerWaalsContact O-N 3.1Å
785	T	86.1	Confident	89.5	Confident	23 Å²	23	72.8 Å²	72.8	14%	0.141	36%	0.356	C	S	.	.			trans	-72.8	156.9	170.5	69.5	0	0	0	0	110.7	Y781 N783 P832 P848	Y781-T785 PolarHBondContact N-O 3.02Å; N783-T785 PolarHBondContact ND2-OG1 3.17Å; N783-T785 PolarHBondContact O-N 3.04Å; N783-T785 WeakPolarHBondContact OD1-CB 3.4Å; N783-T785 PolarHBondContact OD1-N 3.33Å; N783-T785 VanDerWaalsContact OD1-N 3.12Å; N783-T785 PolarHBondContact OD1-OG1 2.77Å; T785-P832 WeakPolarHBondContact OG1-CG 3.21Å; T785-P848 HydrophobicContact CG2-CB 4.32Å
786	F	87.4	Confident	89.3	Confident	115 Å²	115	72 Å²	72	50%	0.504	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-139.9	154.6	-178.9	56.1	-88.6	0	0	0	110.7	R779 K788 Y850	R779-F786 WeakPolarHBondContact O-CA 3.08Å; F786-K788 HydrophobicContact CE2-CB 4.49Å; F786-Y850 WeakPolarHBondContact O-CE1 3.47Å
787	D	91.3	Very high	89.1	Confident	5 Å²	5	76 Å²	76	3%	0.027	40%	0.401	C	S	.	.			trans	-68.1	136.3	169.4	-68.7	-36.4	0	0	0	110.4	L778 R779 Y781 K829 M831	L778-D787 HydrophobicContact CB-CB 3.97Å; L778-D787 HydrophobicContact CD2-CB 3.91Å; R779-D787 PolarHBondContact N-OD2 2.88Å; R779-D787 PolarHBondContact O-N 3.06Å; Y781-D787 PolarHBondContact OH-OD1 2.81Å; D787-K829 IonicContact OD1-NZ 3.39Å; D787-K829 WeakPolarHBondContact OD2-CE 3.31Å; D787-K829 IonicContact OD2-NZ 2.68Å; D787-K829 PolarHBondContact OD2-NZ 2.83Å; D787-M831 WeakPolarHBondContact OD1-CA 3.48Å; D787-M831 VanDerWaalsContact OD1-CB 3.29Å; D787-M831 WeakPolarHBondContact OD1-CB 3.48Å
788	K	90.8	Very high	88.9	Confident	62 Å²	62	77.2 Å²	77.2	27%	0.27	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	155.1	177.4	66.7	-179	-176.1	175	0	111.7	F786 M790 S830 Y850	F786-K788 HydrophobicContact CE2-CB 4.49Å; K788-M790 HydrophobicContact CD-CG 4.44Å; K788-M790 HydrophobicContact CD-SD 3.66Å; K788-M790 WeakPolarHBondContact CE-SD 3.44Å; K788-M790 HydrophobicContact CG-CG 4.43Å; K788-M790 HydrophobicContact CG-SD 4.19Å; K788-S830 PolarHBondContact N-O 3.09Å; K788-S830 PolarHBondContact O-N 2.92Å; K788-Y850 HydrophobicContact CD-CD1 3.96Å; K788-Y850 HydrophobicContact CD-CD2 4.27Å; K788-Y850 HydrophobicContact CD-CE1 3.76Å; K788-Y850 HydrophobicContact CD-CE2 4.08Å; K788-Y850 HydrophobicContact CD-CG 4.22Å; K788-Y850 VanDerWaalsContact CE-CG 3.4Å; K788-Y850 HydrophobicContact CG-CD1 3.92Å; K788-Y850 HydrophobicContact CG-CE1 3.78Å
789	V	94.1	Very high	88.8	Confident	37 Å²	37	85.9 Å²	85.9	22%	0.224	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.5	167.8	-168.1	0	0	0	0	107	L778 D811 G812 I813 V827 N828 I880	L778-V789 HydrophobicContact CD1-CG2 3.59Å; L778-V789 HydrophobicContact CD2-CG2 3.92Å; L778-V789 HydrophobicContact CG-CG2 4.37Å; V789-D811 WeakPolarHBondContact CG1-O 3.18Å; V789-G812 WeakPolarHBondContact CG1-O 3.42Å; V789-I813 HydrophobicContact CG1-CG1 4.21Å; V789-V827 HydrophobicContact CG1-CG1 4.08Å; V789-V827 HydrophobicContact CG2-CG1 4.22Å; V789-N828 WeakPolarHBondContact CA-O 3.35Å; V789-N828 WeakPolarHBondContact CG1-O 3.43Å; V789-I880 HydrophobicContact CG2-CD1 4.34Å
790	M	92.6	Very high	88.9	Confident	80 Å²	80	85.5 Å²	85.5	39%	0.394	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-99.8	141.7	179.3	-66.7	-62.8	-62.5	0	0	109.5	K788 G812 N828 S830	K788-M790 HydrophobicContact CD-CG 4.44Å; K788-M790 HydrophobicContact CD-SD 3.66Å; K788-M790 WeakPolarHBondContact CE-SD 3.44Å; K788-M790 HydrophobicContact CG-CG 4.43Å; K788-M790 HydrophobicContact CG-SD 4.19Å; M790-G812 VanDerWaalsContact O-CA 3.31Å; M790-G812 WeakPolarHBondContact O-CA 3.4Å; M790-N828 PolarHBondContact N-O 2.75Å; M790-N828 WeakPolarHBondContact O-CB 3.35Å; M790-N828 PolarHBondContact O-ND2 3.29Å; M790-S830 WeakPolarHBondContact CG-OG 3.29Å
791	G	91.6	Very high	89.1	Confident	35 Å²	35	78.9 Å²	78.9	36%	0.361	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-58.1	170.2	174	0	0	0	0	0	113.4	M793 N828	G791-M793 PolarHBondContact O-N 3.07Å; G791-N828 PolarHBondContact O-ND2 3.44Å
792	P	93.6	Very high	89.5	Confident	33 Å²	33	78.7 Å²	78.7	21%	0.214	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-66.2	129.3	-178.5	25.7	-32.5	0	0	0	111.1	L794 P801 H805 L808 D809	P792-L794 PolarHBondContact O-N 3.44Å; P792-P801 HydrophobicContact CB-CB 4.26Å; P792-H805 HydrophobicContact CB-CB 4.02Å; P792-L808 HydrophobicContact CB-CB 4.21Å; P792-D809 WeakPolarHBondContact CD-O 3.27Å
793	M	91.4	Very high	89.9	Confident	114 Å²	114	79.4 Å²	79.4	56%	0.562	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-65.3	118.5	168.6	-168.4	170.1	72.9	0	0	110.7	G791 I802 H805	G791-M793 PolarHBondContact O-N 3.07Å; M793-I802 HydrophobicContact CE-CD1 3.73Å; M793-I802 HydrophobicContact CE-CG2 4.11Å; M793-I802 PolarHBondContact O-N 3Å; M793-I802 VanDerWaalsContact O-N 3.13Å; M793-H805 PolarHBondContact N-ND1 2.98Å
794	L	91.1	Very high	90.4	Very high	101 Å²	101	83.2 Å²	83.2	53%	0.529	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-84.4	138.8	174.4	-61.8	173.2	0	0	0	110.1	P792 P801	P792-L794 PolarHBondContact O-N 3.44Å; L794-P801 HydrophobicContact CD2-CB 4.46Å
795	D	91.1	Very high	91.1	Very high	61 Å²	61	77 Å²	77	33%	0.326	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-72.4	128.7	166.5	173.4	32.7	0	0	0	109.7	A797 T798 R799 K800 I802	D795-A797 PolarHBondContact O-N 2.91Å; D795-A797 PolarHBondContact OD1-N 2.61Å; D795-T798 WeakPolarHBondContact CB-OG1 3.42Å; D795-T798 WeakPolarHBondContact OD2-CG2 3.41Å; D795-T798 PolarHBondContact OD2-N 3.13Å; D795-T798 PolarHBondContact OD2-OG1 3.14Å; D795-R799 WeakPolarHBondContact O-CA 3.49Å; D795-R799 PolarHBondContact O-N 3.34Å; D795-K800 PolarHBondContact N-O 2.85Å; D795-I802 HydrophobicContact CB-CG2 4.34Å
796	A	88.9	Confident	91.4	Very high	87 Å²	87	80 Å²	80	72%	0.719	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-30.1	-175	0	0	0	0	0	112.4
797	A	91.2	Very high	91.7	Very high	89 Å²	89	74.7 Å²	74.7	74%	0.736	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-47.5	-178.3	0	0	0	0	0	112.5	D795	D795-A797 PolarHBondContact O-N 2.91Å; D795-A797 PolarHBondContact OD1-N 2.61Å
798	T	88.4	Confident	91.9	Very high	80 Å²	80	75.1 Å²	75.1	49%	0.491	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-10.8	-173.5	58.1	0	0	0	0	114.3	D795 K800	D795-T798 WeakPolarHBondContact CB-OG1 3.42Å; D795-T798 WeakPolarHBondContact OD2-CG2 3.41Å; D795-T798 PolarHBondContact OD2-N 3.13Å; D795-T798 PolarHBondContact OD2-OG1 3.14Å; T798-K800 PolarHBondContact O-N 3.42Å
799	R	88.3	Confident	92.1	Very high	200 Å²	200	76.3 Å²	76.3	76%	0.755	41%	0.406	S	S	*	.	S	Bend	trans	55.2	16.6	-171.6	-61	-66.7	-171.4	164.8	1.2	113.9	D795	D795-R799 WeakPolarHBondContact O-CA 3.49Å; D795-R799 PolarHBondContact O-N 3.34Å
800	K	89.6	Confident	92	Very high	143 Å²	143	78.5 Å²	78.5	62%	0.622	43%	0.428	S	S	*	.	S	Bend	trans	-105.6	154.7	176.6	-71.9	-179.8	-178.1	-179	0	110	D795 T798	D795-K800 PolarHBondContact N-O 2.85Å; T798-K800 PolarHBondContact O-N 3.42Å
801	P	91.4	Very high	92.1	Very high	37 Å²	37	78.2 Å²	78.2	24%	0.24	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-59.1	144.4	172.7	25.2	-33.8	0	0	0	110.4	P792 L794 H805	P792-P801 HydrophobicContact CB-CB 4.26Å; L794-P801 HydrophobicContact CD2-CB 4.46Å; P801-H805 HydrophobicContact CB-CB 4.34Å
802	I	93.4	Very high	92.2	Very high	45 Å²	45	76.6 Å²	76.6	23%	0.231	41%	0.411	C	S	.	.			trans	-57.8	154.1	171.6	61	165.7	0	0	0	110.2	M793 D795 K804 H805 N806	M793-I802 HydrophobicContact CE-CD1 3.73Å; M793-I802 HydrophobicContact CE-CG2 4.11Å; M793-I802 PolarHBondContact O-N 3Å; M793-I802 VanDerWaalsContact O-N 3.13Å; D795-I802 HydrophobicContact CB-CG2 4.34Å; I802-K804 HydrophobicContact CD1-CB 3.93Å; I802-K804 HydrophobicContact CG1-CB 4.3Å; I802-K804 PolarHBondContact O-N 3.38Å; I802-H805 HydrophobicContact CG1-CB 3.81Å; I802-H805 CarbonylContact O-C 3.57Å; I802-H805 WeakPolarHBondContact O-CA 3.44Å; I802-H805 PolarHBondContact O-N 3.2Å; I802-N806 PolarHBondContact O-N 3.43Å
803	W	93	Very high	92.3	Very high	132 Å²	132	75.6 Å²	75.6	50%	0.5	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-52	-36.2	-178.4	175.6	83.9	0	0	0	113.9	H805 N806 E821 N822 Q824	W803-H805 PolarHBondContact O-N 2.85Å; W803-N806 WeakPolarHBondContact O-CB 3.34Å; W803-N806 PolarHBondContact O-N 3.33Å; W803-E821 HydrophobicContact CZ2-CB 4.39Å; W803-N822 WeakPolarHBondContact CH2-O 3.36Å; W803-Q824 HydrophobicContact CD2-CG 4.47Å; W803-Q824 HydrophobicContact CH2-CG 4.16Å; W803-Q824 HydrophobicContact CZ2-CG 4.04Å; W803-Q824 HydrophobicContact CZ3-CG 4.38Å
804	K	92.6	Very high	92.5	Very high	120 Å²	120	70.3 Å²	70.3	52%	0.522	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-62.9	-29.2	176.2	-71.1	-176.2	179.3	174.3	0	113.8	I802 V825	I802-K804 HydrophobicContact CD1-CB 3.93Å; I802-K804 HydrophobicContact CG1-CB 4.3Å; I802-K804 PolarHBondContact O-N 3.38Å; K804-V825 HydrophobicContact CB-CG2 4.44Å; K804-V825 WeakPolarHBondContact O-CB 3.28Å; K804-V825 PolarHBondContact O-N 3.35Å
805	H	94.8	Very high	92.7	Very high	19 Å²	19	67 Å²	67	9%	0.088	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-109.6	8	-176.3	-64.5	171.2	0	0	0	112.4	P792 M793 P801 I802 W803 I807 L808	P792-H805 HydrophobicContact CB-CB 4.02Å; M793-H805 PolarHBondContact N-ND1 2.98Å; P801-H805 HydrophobicContact CB-CB 4.34Å; I802-H805 HydrophobicContact CG1-CB 3.81Å; I802-H805 CarbonylContact O-C 3.57Å; I802-H805 WeakPolarHBondContact O-CA 3.44Å; I802-H805 PolarHBondContact O-N 3.2Å; W803-H805 PolarHBondContact O-N 2.85Å; H805-I807 PolarHBondContact O-N 2.76Å; H805-I807 VanDerWaalsContact O-N 3.1Å; H805-L808 HydrophobicContact CB-CD1 3.84Å; H805-L808 HydrophobicContact CB-CG 4.34Å; H805-L808 WeakPolarHBondContact O-CB 3.46Å; H805-L808 PolarHBondContact O-N 3.18Å
806	N	92.8	Very high	92.9	Very high	86 Å²	86	67.6 Å²	67.6	46%	0.46	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.8	-173.3	-169.9	52.4	0	0	0	113.2	I802 W803	I802-N806 PolarHBondContact O-N 3.43Å; W803-N806 WeakPolarHBondContact O-CB 3.34Å; W803-N806 PolarHBondContact O-N 3.33Å
807	I	94.3	Very high	93.2	Very high	3 Å²	3	66.1 Å²	66.1	2%	0.015	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	1.9	-177.3	64.1	165	0	0	0	114.8	H805 C814 S815 E818 V820 Q824 V825 L826 I865	H805-I807 PolarHBondContact O-N 2.76Å; H805-I807 VanDerWaalsContact O-N 3.1Å; I807-C814 HydrophobicContact CD1-CB 4.33Å; I807-C814 VanDerWaalsContact O-CA 3.31Å; I807-C814 WeakPolarHBondContact O-CA 3.42Å; I807-S815 PolarHBondContact O-N 2.78Å; I807-E818 WeakPolarHBondContact CA-OE2 3.42Å; I807-E818 WeakPolarHBondContact CB-OE2 3.38Å; I807-E818 HydrophobicContact CG2-CB 4.5Å; I807-E818 WeakPolarHBondContact CG2-OE2 3.43Å; I807-V820 HydrophobicContact CD1-CB 3.66Å; I807-V820 HydrophobicContact CD1-CG2 3.47Å; I807-V820 VanDerWaalsContact CD1-CG2 3.47Å; I807-Q824 HydrophobicContact CD1-CB 4.1Å; I807-Q824 HydrophobicContact CG1-CB 4.46Å; I807-V825 WeakPolarHBondContact CD1-O 3.41Å; I807-L826 HydrophobicContact CD1-CD2 4.27Å; I807-I865 HydrophobicContact CD1-CD1 4.21Å
808	L	94.9	Very high	93.4	Very high	13 Å²	13	65.5 Å²	65.5	7%	0.068	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-85.2	136.1	179.6	-63.9	-178.3	0	0	0	109.5	P792 H805 C814 V825 N828	P792-L808 HydrophobicContact CB-CB 4.21Å; H805-L808 HydrophobicContact CB-CD1 3.84Å; H805-L808 HydrophobicContact CB-CG 4.34Å; H805-L808 WeakPolarHBondContact O-CB 3.46Å; H805-L808 PolarHBondContact O-N 3.18Å; L808-C814 HydrophobicContact CD2-CB 4.24Å; L808-V825 HydrophobicContact CD1-CB 4.35Å; L808-V825 HydrophobicContact CD1-CG1 4.18Å; L808-V825 HydrophobicContact CD2-CG1 4.37Å; L808-V825 VanDerWaalsContact CD2-O 3.3Å; L808-V825 WeakPolarHBondContact CD2-O 3.29Å; L808-N828 HydrophobicContact CD1-CB 3.82Å
809	D	95	Very high	93.8	Very high	87 Å²	87	65.2 Å²	65.2	47%	0.465	34%	0.338	S	S	.	.			trans	-76.8	174.9	168.6	-160.2	1.3	0	0	0	110.3	P792 D811 G812 I813	P792-D809 WeakPolarHBondContact CD-O 3.27Å; D809-D811 PolarHBondContact O-N 3.15Å; D809-D811 VanDerWaalsContact O-N 3.1Å; D809-G812 PolarHBondContact O-N 3.47Å; D809-I813 WeakPolarHBondContact CB-O 3.46Å; D809-I813 PolarHBondContact N-O 3.4Å
810	A	92.9	Very high	94.2	Very high	83 Å²	83	55.7 Å²	55.7	69%	0.686	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.6	-176.9	0	0	0	0	0	113.7	G812	A810-G812 VanDerWaalsContact C-N 3.29Å; A810-G812 PolarHBondContact O-N 3.04Å
811	D	93.4	Very high	94.4	Very high	75 Å²	75	51.8 Å²	51.8	40%	0.401	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-6.5	177.6	69.2	-5.1	0	0	0	114	V789 D809 I813	V789-D811 WeakPolarHBondContact CG1-O 3.18Å; D809-D811 PolarHBondContact O-N 3.15Å; D809-D811 VanDerWaalsContact O-N 3.1Å; D811-I813 WeakPolarHBondContact OD1-CB 3.49Å; D811-I813 PolarHBondContact OD1-N 3.27Å
812	G	93.6	Very high	94.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	81.3	12.4	-177.8	0	0	0	0	0	114.6	V789 M790 D809 A810 N828	V789-G812 WeakPolarHBondContact CG1-O 3.42Å; M790-G812 VanDerWaalsContact O-CA 3.31Å; M790-G812 WeakPolarHBondContact O-CA 3.4Å; D809-G812 PolarHBondContact O-N 3.47Å; A810-G812 VanDerWaalsContact C-N 3.29Å; A810-G812 PolarHBondContact O-N 3.04Å; G812-N828 PolarHBondContact O-N 2.98Å
813	I	95.8	Very high	94.5	Very high	12 Å²	12	58 Å²	58	6%	0.062	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-106.7	147.1	171.7	-51.8	174.5	0	0	0	108.3	V789 D809 D811 V868 I870 I880	V789-I813 HydrophobicContact CG1-CG1 4.21Å; D809-I813 WeakPolarHBondContact CB-O 3.46Å; D809-I813 PolarHBondContact N-O 3.4Å; D811-I813 WeakPolarHBondContact OD1-CB 3.49Å; D811-I813 PolarHBondContact OD1-N 3.27Å; I813-V868 HydrophobicContact CG2-CG1 3.66Å; I813-I870 HydrophobicContact CD1-CD1 3.74Å; I813-I870 HydrophobicContact CD1-CG1 4.37Å; I813-I880 HydrophobicContact CD1-CD1 3.67Å; I813-I880 HydrophobicContact CD1-CG1 4.34Å; I813-I880 HydrophobicContact CG1-CD1 4.19Å; I813-I880 HydrophobicContact CG2-CG2 4.18Å
814	C	95.7	Very high	94.6	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.027	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-69.8	147.5	-179	67.2	0	0	0	0	113.5	I807 L808 L826 I865 V868	I807-C814 HydrophobicContact CD1-CB 4.33Å; I807-C814 VanDerWaalsContact O-CA 3.31Å; I807-C814 WeakPolarHBondContact O-CA 3.42Å; L808-C814 HydrophobicContact CD2-CB 4.24Å; C814-L826 HydrophobicContact CB-CD2 4.36Å; C814-L826 WeakPolarHBondContact CB-O 3.44Å; C814-L826 PolarHBondContact N-O 3.02Å; C814-I865 HydrophobicContact CB-CD1 3.52Å; C814-I865 WeakPolarHBondContact SG-CD1 3.39Å; C814-V868 WeakPolarHBondContact O-CG2 3.43Å
815	S	95.4	Very high	94.8	Very high	31 Å²	31	46.5 Å²	46.5	22%	0.217	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-86.7	137.6	-176.5	-170.7	0	0	0	0	113.2	I807 I865	I807-S815 PolarHBondContact O-N 2.78Å; S815-I865 WeakPolarHBondContact O-CD1 3.47Å
816	P	96.3	Very high	94.8	Very high	74 Å²	74	45.6 Å²	45.6	48%	0.481	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	134.9	171.4	-20.1	31.8	0	0	0	113	V868	P816-V868 HydrophobicContact CG-CB 4.42Å; P816-V868 HydrophobicContact CG-CG2 4.19Å
817	G	94.4	Very high	95	Very high	56 Å²	56	41.5 Å²	41.5	58%	0.577	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	104.4	-24.7	-180	0	0	0	0	0	113.3	I865	G817-I865 PolarHBondContact N-O 3.03Å
818	E	95.4	Very high	95.1	Very high	75 Å²	75	42 Å²	42	35%	0.35	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-75.1	150.5	-176	-65.4	-158.3	-164.8	0	0	113.8	I807 Y864 I865	I807-E818 WeakPolarHBondContact CA-OE2 3.42Å; I807-E818 WeakPolarHBondContact CB-OE2 3.38Å; I807-E818 HydrophobicContact CG2-CB 4.5Å; I807-E818 WeakPolarHBondContact CG2-OE2 3.43Å; E818-Y864 WeakPolarHBondContact O-CA 3.34Å; E818-I865 HydrophobicContact CB-CD1 4.47Å; E818-I865 PolarHBondContact O-N 2.95Å
819	K	96.6	Very high	95.1	Very high	74 Å²	74	42.4 Å²	42.4	32%	0.322	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116	175.5	-168.6	-168.9	73.8	149.4	0	109.2	E821 D862 S863 Y864	K819-E821 VanDerWaalsContact CE-OE1 3.29Å; K819-E821 WeakPolarHBondContact CE-OE1 3.5Å; K819-E821 IonicContact NZ-OE1 2.73Å; K819-E821 PolarHBondContact NZ-OE1 3.36Å; K819-D862 HydrophobicContact CD-CB 3.92Å; K819-D862 WeakPolarHBondContact CD-OD2 3.4Å; K819-D862 WeakPolarHBondContact CE-OD2 3.43Å; K819-D862 HydrophobicContact CG-CB 3.9Å; K819-D862 IonicContact NZ-OD2 3.56Å; K819-D862 PolarHBondContact NZ-OD2 2.97Å; K819-S863 CarbonylContact C-O 2.98Å; K819-S863 WeakPolarHBondContact CA-O 3.45Å; K819-Y864 HydrophobicContact CB-CD1 4.19Å; K819-Y864 HydrophobicContact CB-CE1 3.81Å; K819-Y864 HydrophobicContact CG-CE1 4.09Å; K819-Y864 HydrophobicContact CG-CE2 4.39Å
820	V	96	Very high	95	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	128.7	173.2	60.5	0	0	0	0	111.2	I807 Q824 L826 Y857 D862 S863 I865 L884	I807-V820 HydrophobicContact CD1-CB 3.66Å; I807-V820 HydrophobicContact CD1-CG2 3.47Å; I807-V820 VanDerWaalsContact CD1-CG2 3.47Å; V820-Q824 HydrophobicContact CG2-CB 4.02Å; V820-L826 HydrophobicContact CB-CD2 4.35Å; V820-L826 HydrophobicContact CG1-CD2 4.39Å; V820-L826 HydrophobicContact CG2-CD2 3.95Å; V820-Y857 HydrophobicContact CG1-CD1 4.28Å; V820-Y857 HydrophobicContact CG1-CD2 4.4Å; V820-Y857 HydrophobicContact CG1-CG 4.17Å; V820-Y857 HydrophobicContact CG2-CD1 3.86Å; V820-Y857 HydrophobicContact CG2-CG 3.79Å; V820-D862 WeakPolarHBondContact O-CA 3.24Å; V820-S863 VanDerWaalsContact CG1-O 3.27Å; V820-S863 WeakPolarHBondContact CG1-O 3.47Å; V820-S863 PolarHBondContact N-O 3.11Å; V820-S863 PolarHBondContact O-N 3.09Å; V820-I865 HydrophobicContact CG1-CG1 4.45Å; V820-L884 HydrophobicContact CG1-CD2 4.06Å
821	E	95.2	Very high	94.9	Very high	62 Å²	62	37 Å²	37	29%	0.29	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-101.9	163.3	176.2	-60	-174.6	165.7	0	0	111.3	W803 K819 K823 Q824 Y857	W803-E821 HydrophobicContact CZ2-CB 4.39Å; K819-E821 VanDerWaalsContact CE-OE1 3.29Å; K819-E821 WeakPolarHBondContact CE-OE1 3.5Å; K819-E821 IonicContact NZ-OE1 2.73Å; K819-E821 PolarHBondContact NZ-OE1 3.36Å; E821-K823 PolarHBondContact O-N 3.35Å; E821-Q824 HydrophobicContact CB-CG 4.46Å; E821-Q824 WeakPolarHBondContact O-CB 3.11Å; E821-Q824 PolarHBondContact O-N 3.18Å; E821-Y857 WeakPolarHBondContact O-CD1 3.49Å
822	N	93.9	Very high	94.7	Very high	69 Å²	69	33.6 Å²	33.6	37%	0.369	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	132.7	-176.4	-168.9	22.1	0	0	0	112	W803 Q824 G859	W803-N822 WeakPolarHBondContact CH2-O 3.36Å; N822-Q824 VanDerWaalsContact C-N 3.3Å; N822-Q824 PolarHBondContact O-N 2.94Å; N822-G859 VanDerWaalsContact CB-O 3.25Å; N822-G859 WeakPolarHBondContact CB-O 3.29Å; N822-G859 PolarHBondContact OD1-N 3.1Å; N822-G859 PolarHBondContact OD1-O 3.08Å
823	K	92.9	Very high	94.3	Very high	142 Å²	142	37 Å²	37	62%	0.617	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.3	2.8	-179.5	-49	179.2	-179.6	172.4	0	116.7	E821 Y857	E821-K823 PolarHBondContact O-N 3.35Å; K823-Y857 WeakPolarHBondContact CA-O 3.45Å; K823-Y857 PolarHBondContact N-O 2.89Å
824	Q	95.3	Very high	93.3	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.019	23%	0.226	C	C	.	.			trans	-70.5	154.3	168.5	-72.5	179.6	-23.8	0	0	111.7	W803 I807 V820 E821 N822 S856 Y857	W803-Q824 HydrophobicContact CD2-CG 4.47Å; W803-Q824 HydrophobicContact CH2-CG 4.16Å; W803-Q824 HydrophobicContact CZ2-CG 4.04Å; W803-Q824 HydrophobicContact CZ3-CG 4.38Å; I807-Q824 HydrophobicContact CD1-CB 4.1Å; I807-Q824 HydrophobicContact CG1-CB 4.46Å; V820-Q824 HydrophobicContact CG2-CB 4.02Å; E821-Q824 HydrophobicContact CB-CG 4.46Å; E821-Q824 WeakPolarHBondContact O-CB 3.11Å; E821-Q824 PolarHBondContact O-N 3.18Å; N822-Q824 VanDerWaalsContact C-N 3.3Å; N822-Q824 PolarHBondContact O-N 2.94Å; Q824-S856 CarbonylContact O-C 3.52Å; Q824-S856 VanDerWaalsContact O-CA 3.28Å; Q824-S856 WeakPolarHBondContact O-CA 3.02Å; Q824-Y857 PolarHBondContact O-N 3.49Å
825	V	96.1	Very high	92	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.042	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	132	-178.1	179.5	0	0	0	0	109.9	K804 I807 L808 V827 N828 P854	K804-V825 HydrophobicContact CB-CG2 4.44Å; K804-V825 WeakPolarHBondContact O-CB 3.28Å; K804-V825 PolarHBondContact O-N 3.35Å; I807-V825 WeakPolarHBondContact CD1-O 3.41Å; L808-V825 HydrophobicContact CD1-CB 4.35Å; L808-V825 HydrophobicContact CD1-CG1 4.18Å; L808-V825 HydrophobicContact CD2-CG1 4.37Å; L808-V825 VanDerWaalsContact CD2-O 3.3Å; L808-V825 WeakPolarHBondContact CD2-O 3.29Å; V825-V827 WeakPolarHBondContact CG1-O 3.02Å; V825-N828 HydrophobicContact CG1-CB 4.18Å; V825-P854 HydrophobicContact CG1-CB 3.77Å; V825-P854 HydrophobicContact CG2-CB 4.07Å
826	L	95.8	Very high	90.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-38.9	174.6	-66.1	172.6	0	0	0	112	T774 I807 C814 V820 I855 I865 I882 L884	T774-L826 HydrophobicContact CG2-CD1 4.05Å; I807-L826 HydrophobicContact CD1-CD2 4.27Å; C814-L826 HydrophobicContact CB-CD2 4.36Å; C814-L826 WeakPolarHBondContact CB-O 3.44Å; C814-L826 PolarHBondContact N-O 3.02Å; V820-L826 HydrophobicContact CB-CD2 4.35Å; V820-L826 HydrophobicContact CG1-CD2 4.39Å; V820-L826 HydrophobicContact CG2-CD2 3.95Å; L826-I855 WeakPolarHBondContact CB-O 3.33Å; L826-I855 PolarHBondContact N-O 3.03Å; L826-I865 HydrophobicContact CD2-CD1 4.37Å; L826-I865 HydrophobicContact CD2-CG1 4.43Å; L826-I882 HydrophobicContact CB-CD1 3.94Å; L826-L884 HydrophobicContact CD1-CD1 4.12Å; L826-L884 HydrophobicContact CD2-CD2 4.18Å
827	V	96.6	Very high	89.2	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	120.5	175.3	-175.3	0	0	0	0	108.5	C776 V789 V825 K829 P854 I855 I880 I882	C776-V827 HydrophobicContact CB-CB 4.45Å; C776-V827 HydrophobicContact CB-CG1 4.42Å; C776-V827 HydrophobicContact CB-CG2 4.19Å; V789-V827 HydrophobicContact CG1-CG1 4.08Å; V789-V827 HydrophobicContact CG2-CG1 4.22Å; V825-V827 WeakPolarHBondContact CG1-O 3.02Å; V827-K829 VanDerWaalsContact C-N 3.29Å; V827-K829 HydrophobicContact CG1-CB 4.46Å; V827-K829 PolarHBondContact O-N 2.85Å; V827-P854 WeakPolarHBondContact O-CA 3.43Å; V827-I855 HydrophobicContact CB-CB 4.38Å; V827-I855 PolarHBondContact N-O 2.76Å; V827-I855 PolarHBondContact O-N 3.44Å; V827-I880 HydrophobicContact CG1-CD1 4.18Å; V827-I880 HydrophobicContact CG2-CG2 4.32Å; V827-I882 HydrophobicContact CG2-CD1 3.46Å; V827-I882 VanDerWaalsContact CG2-CD1 3.46Å
828	N	95.9	Very high	87.7	Confident	13 Å²	13	50.7 Å²	50.7	7%	0.07	27%	0.266	C	S	.	.			trans	-85.7	71.2	179.3	-170.4	26.6	0	0	0	111.4	V789 M790 G791 L808 G812 V825	V789-N828 WeakPolarHBondContact CA-O 3.35Å; V789-N828 WeakPolarHBondContact CG1-O 3.43Å; M790-N828 PolarHBondContact N-O 2.75Å; M790-N828 WeakPolarHBondContact O-CB 3.35Å; M790-N828 PolarHBondContact O-ND2 3.29Å; G791-N828 PolarHBondContact O-ND2 3.44Å; L808-N828 HydrophobicContact CD1-CB 3.82Å; G812-N828 PolarHBondContact O-N 2.98Å; V825-N828 HydrophobicContact CG1-CB 4.18Å
829	K	95.2	Very high	86	Confident	22 Å²	22	55.2 Å²	55.2	10%	0.096	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	134.2	-178.5	-178.1	-175.3	177.2	171.5	0	111.7	I777 L778 D787 V827 V853	I777-K829 PolarHBondContact O-NZ 3.04Å; L778-K829 HydrophobicContact CD2-CD 4.03Å; L778-K829 HydrophobicContact CD2-CG 3.91Å; D787-K829 IonicContact OD1-NZ 3.39Å; D787-K829 WeakPolarHBondContact OD2-CE 3.31Å; D787-K829 IonicContact OD2-NZ 2.68Å; D787-K829 PolarHBondContact OD2-NZ 2.83Å; V827-K829 VanDerWaalsContact C-N 3.29Å; V827-K829 HydrophobicContact CG1-CB 4.46Å; V827-K829 PolarHBondContact O-N 2.85Å; K829-V853 HydrophobicContact CB-CG2 4.36Å; K829-V853 HydrophobicContact CD-CG2 4.02Å; K829-V853 HydrophobicContact CG-CG2 3.93Å; K829-V853 CarbonylContact O-C 3.56Å; K829-V853 VanDerWaalsContact O-C 3.25Å; K829-V853 WeakPolarHBondContact O-CA 3.46Å; K829-V853 WeakPolarHBondContact O-CG2 3.41Å; K829-V853 PolarHBondContact O-N 3.42Å
830	S	93	Very high	84.1	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.007	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.2	168.2	-47.4	0	0	0	0	110.4	K788 M790 R851 D852	K788-S830 PolarHBondContact N-O 3.09Å; K788-S830 PolarHBondContact O-N 2.92Å; M790-S830 WeakPolarHBondContact CG-OG 3.29Å; S830-R851 WeakPolarHBondContact CA-O 3.4Å; S830-D852 WeakPolarHBondContact CB-OD1 3.44Å; S830-D852 PolarHBondContact OG-OD1 3.28Å
831	M	91.4	Very high	82.1	Confident	56 Å²	56	65.4 Å²	65.4	28%	0.276	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	145.4	179.1	63.2	171.1	27.7	0	0	111.8	D787 Y850 R851 V853	D787-M831 WeakPolarHBondContact OD1-CA 3.48Å; D787-M831 VanDerWaalsContact OD1-CB 3.29Å; D787-M831 WeakPolarHBondContact OD1-CB 3.48Å; M831-Y850 CarbonylContact O-C 3.38Å; M831-Y850 WeakPolarHBondContact O-CA 3.36Å; M831-R851 PolarHBondContact N-O 3.47Å; M831-R851 PolarHBondContact O-N 3.14Å; M831-V853 HydrophobicContact CB-CG2 3.9Å; M831-V853 HydrophobicContact CE-CG1 4.35Å; M831-V853 HydrophobicContact CE-CG2 4.06Å; M831-V853 HydrophobicContact CG-CB 4.36Å; M831-V853 HydrophobicContact CG-CG1 3.77Å; M831-V853 HydrophobicContact CG-CG2 3.63Å; M831-V853 HydrophobicContact SD-CG1 3.68Å; M831-V853 HydrophobicContact SD-CG2 4.18Å
832	P	88.9	Confident	80.3	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.019	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	139.3	173.4	26.8	-32.1	0	0	0	110.8	Y781 T785 Q849 Y850	Y781-P832 HydrophobicContact CD2-CG 3.79Å; Y781-P832 HydrophobicContact CE2-CG 3.66Å; T785-P832 WeakPolarHBondContact OG1-CG 3.21Å; P832-Q849 WeakPolarHBondContact CA-O 3.48Å; P832-Y850 HydrophobicContact CB-CE1 4.42Å
833	T	83.7	Confident	78.5	Confident	72 Å²	72	67.8 Å²	67.8	44%	0.442	40%	0.397	S	S	.	.	S	Bend	trans	-71	-32.3	178.7	48.5	0	0	0	0	112.6	Q849 R851	T833-Q849 PolarHBondContact N-O 3.28Å; T833-Q849 PolarHBondContact OG1-O 2.8Å; T833-R851 HydrophobicContact CG2-CB 3.93Å
834	V	76.2	Confident	76.6	Confident	85 Å²	85	69.3 Å²	69.3	52%	0.515	41%	0.406	S	S	.	.			trans	-101.9	106.2	176.5	-176.5	0	0	0	0	108.8	N783 Q836	N783-V834 PolarHBondContact ND2-O 3.27Å; V834-Q836 WeakPolarHBondContact CG1-O 3.3Å
835	T	67.9	Low	74.7	Confident	53 Å²	53	75.6 Å²	75.6	33%	0.325	45%	0.447	S	S	.	.			trans	-104.1	-7.7	-177.2	57.7	0	0	0	0	113.6	Y781	Y781-T835 HydrophobicContact CD1-CG2 3.93Å; Y781-T835 HydrophobicContact CE1-CG2 3.54Å; Y781-T835 HydrophobicContact CE2-CG2 4.32Å; Y781-T835 HydrophobicContact CG-CG2 4.45Å
836	Q	67.1	Low	73.1	Confident	148 Å²	148	78 Å²	78	69%	0.692	47%	0.473	S	S	*	.	S	Bend	trans	-118.6	151	178.7	-67.8	-175.3	-3.2	0	0	109.8	V834 P838	V834-Q836 WeakPolarHBondContact CG1-O 3.3Å; Q836-P838 WeakPolarHBondContact O-CD 3.22Å
837	T	65.4	Low	71.7	Confident	102 Å²	102	87 Å²	87	63%	0.626	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-61.6	120.5	170.4	-17.1	0	0	0	0	108.1
838	P	62.5	Low	70.5	Confident	76 Å²	76	90 Å²	90	49%	0.494	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-61.2	145	173.6	23.8	-30	0	0	0	109.6	Q836 S842	Q836-P838 WeakPolarHBondContact O-CD 3.22Å; P838-S842 WeakPolarHBondContact CB-OG 3.5Å
839	L	61.1	Low	70	Confident	169 Å²	169	96.4 Å²	96.4	89%	0.885	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-54.4	140.2	170.9	-81.3	123.9	0	0	0	109.4	G841	L839-G841 PolarHBondContact O-N 2.85Å; L839-G841 VanDerWaalsContact O-N 3.07Å
840	E	55.8	Low	69.6	Low	207 Å²	207	98 Å²	98	97%	0.967	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.4	113.9	-177.8	-70	176.4	159.5	0	0	110.7
841	G	54.6	Low	69.5	Low	81 Å²	81	106.1 Å²	106.1	84%	0.835	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	151.4	-15.9	179.8	0	0	0	0	0	116.6	L839 A843	L839-G841 PolarHBondContact O-N 2.85Å; L839-G841 VanDerWaalsContact O-N 3.07Å; G841-A843 PolarHBondContact O-N 2.98Å
842	S	56.1	Low	69.5	Low	82 Å²	82	108.4 Å²	108.4	57%	0.573	61%	0.614	S	S	*	*			trans	-95	85.9	172.7	44.4	0	0	0	0	111.1	P838 Q844	P838-S842 WeakPolarHBondContact CB-OG 3.5Å; S842-Q844 PolarHBondContact O-N 2.77Å; S842-Q844 VanDerWaalsContact O-N 3.13Å
843	A	56.3	Low	69.8	Low	100 Å²	100	110.2 Å²	110.2	83%	0.826	63%	0.625	S	S	*	*			trans	-72.5	98.4	174.7	0	0	0	0	0	111.2	G841	G841-A843 PolarHBondContact O-N 2.98Å
844	Q	54.4	Low	70.3	Confident	173 Å²	173	109.5 Å²	109.5	81%	0.808	62%	0.621	S	S	*	*			trans	169.3	125.4	136.1	-93.4	-175.7	10.9	0	0	107.3	S842 G846	S842-Q844 PolarHBondContact O-N 2.77Å; S842-Q844 VanDerWaalsContact O-N 3.13Å; Q844-G846 PolarHBondContact O-N 3.28Å
845	P	54.6	Low	71.2	Confident	137 Å²	137	108 Å²	108	89%	0.89	61%	0.61	S	S	*	*			trans	-72	79	167.3	29.3	-29.5	0	0	0	108.3
846	G	62.8	Low	72.5	Confident	56 Å²	56	107.6 Å²	107.6	58%	0.577	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-57.7	153.1	166.7	0	0	0	0	0	109.9	Q844	Q844-G846 PolarHBondContact O-N 3.28Å
847	Q	65.3	Low	73.8	Confident	189 Å²	189	101.2 Å²	101.2	88%	0.883	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-51.2	132.9	173.2	-73.6	-177.5	-6.5	0	0	109.5	Q849	Q847-Q849 PolarHBondContact O-N 3.28Å; Q847-Q849 VanDerWaalsContact O-N 3.08Å
848	P	73.1	Confident	74.9	Confident	66 Å²	66	104.7 Å²	104.7	43%	0.429	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-59.2	119.4	-178	20	-29.4	0	0	0	109.6	T785 Y850	T785-P848 HydrophobicContact CG2-CB 4.32Å; P848-Y850 HydrophobicContact CB-CE2 4.05Å; P848-Y850 HydrophobicContact CG-CE2 3.95Å; P848-Y850 WeakPolarHBondContact O-CD2 3.34Å; P848-Y850 VanDerWaalsContact O-CE2 3.23Å; P848-Y850 WeakPolarHBondContact O-CE2 3.49Å
849	Q	83.6	Confident	76.1	Confident	146 Å²	146	102 Å²	102	68%	0.682	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-77.4	130.7	176.5	-167.4	177.3	22.7	0	0	109.4	P832 T833 Q847	P832-Q849 WeakPolarHBondContact CA-O 3.48Å; T833-Q849 PolarHBondContact N-O 3.28Å; T833-Q849 PolarHBondContact OG1-O 2.8Å; Q847-Q849 PolarHBondContact O-N 3.28Å; Q847-Q849 VanDerWaalsContact O-N 3.08Å
850	Y	87.7	Confident	77.4	Confident	57 Å²	57	98.2 Å²	98.2	22%	0.224	56%	0.559	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.5	143.5	-179.2	-70.8	-93	0	0	0	111.3	F786 K788 M831 P832 P848	F786-Y850 WeakPolarHBondContact O-CE1 3.47Å; K788-Y850 HydrophobicContact CD-CD1 3.96Å; K788-Y850 HydrophobicContact CD-CD2 4.27Å; K788-Y850 HydrophobicContact CD-CE1 3.76Å; K788-Y850 HydrophobicContact CD-CE2 4.08Å; K788-Y850 HydrophobicContact CD-CG 4.22Å; K788-Y850 VanDerWaalsContact CE-CG 3.4Å; K788-Y850 HydrophobicContact CG-CD1 3.92Å; K788-Y850 HydrophobicContact CG-CE1 3.78Å; M831-Y850 CarbonylContact O-C 3.38Å; M831-Y850 WeakPolarHBondContact O-CA 3.36Å; P832-Y850 HydrophobicContact CB-CE1 4.42Å; P848-Y850 HydrophobicContact CB-CE2 4.05Å; P848-Y850 HydrophobicContact CG-CE2 3.95Å; P848-Y850 WeakPolarHBondContact O-CD2 3.34Å; P848-Y850 VanDerWaalsContact O-CE2 3.23Å; P848-Y850 WeakPolarHBondContact O-CE2 3.49Å
851	R	91.7	Very high	79.1	Confident	170 Å²	170	90.8 Å²	90.8	64%	0.642	53%	0.528	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.4	170.2	178.4	-179.4	179.3	173.7	3.1	109	S830 M831 T833 V853	S830-R851 WeakPolarHBondContact CA-O 3.4Å; M831-R851 PolarHBondContact N-O 3.47Å; M831-R851 PolarHBondContact O-N 3.14Å; T833-R851 HydrophobicContact CG2-CB 3.93Å; R851-V853 PolarHBondContact O-N 3.18Å
852	D	91.6	Very high	81	Confident	104 Å²	104	89.8 Å²	89.8	56%	0.556	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.3	177.6	-60.8	-32.5	0	0	0	111.2	S830 P854	S830-D852 WeakPolarHBondContact CB-OD1 3.44Å; S830-D852 PolarHBondContact OG-OD1 3.28Å; D852-P854 VanDerWaalsContact C-CD 3.43Å
853	V	94	Very high	82.9	Confident	42 Å²	42	85.9 Å²	85.9	26%	0.255	48%	0.476	S	S	.	.			trans	-134	57.3	178.9	-72.7	0	0	0	0	109.8	K829 M831 R851	K829-V853 HydrophobicContact CB-CG2 4.36Å; K829-V853 HydrophobicContact CD-CG2 4.02Å; K829-V853 HydrophobicContact CG-CG2 3.93Å; K829-V853 CarbonylContact O-C 3.56Å; K829-V853 VanDerWaalsContact O-C 3.25Å; K829-V853 WeakPolarHBondContact O-CA 3.46Å; K829-V853 WeakPolarHBondContact O-CG2 3.41Å; K829-V853 PolarHBondContact O-N 3.42Å; M831-V853 HydrophobicContact CB-CG2 3.9Å; M831-V853 HydrophobicContact CE-CG1 4.35Å; M831-V853 HydrophobicContact CE-CG2 4.06Å; M831-V853 HydrophobicContact CG-CB 4.36Å; M831-V853 HydrophobicContact CG-CG1 3.77Å; M831-V853 HydrophobicContact CG-CG2 3.63Å; M831-V853 HydrophobicContact SD-CG1 3.68Å; M831-V853 HydrophobicContact SD-CG2 4.18Å; R851-V853 PolarHBondContact O-N 3.18Å
854	P	94.9	Very high	84.9	Confident	56 Å²	56	86 Å²	86	36%	0.364	46%	0.456	S	S	.	.			trans	-64.8	146.5	-173.6	28.3	-35.9	0	0	0	111.4	V825 V827 D852 S856	V825-P854 HydrophobicContact CG1-CB 3.77Å; V825-P854 HydrophobicContact CG2-CB 4.07Å; V827-P854 WeakPolarHBondContact O-CA 3.43Å; D852-P854 VanDerWaalsContact C-CD 3.43Å; P854-S856 PolarHBondContact O-N 2.72Å
855	I	95	Very high	86.9	Confident	54 Å²	54	77.9 Å²	77.9	28%	0.277	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	105.2	173.2	-55.1	-57.2	0	0	0	107.9	T774 C776 L826 V827	T774-I855 HydrophobicContact CG2-CG2 3.5Å; C776-I855 HydrophobicContact CB-CG1 4.28Å; L826-I855 WeakPolarHBondContact CB-O 3.33Å; L826-I855 PolarHBondContact N-O 3.03Å; V827-I855 HydrophobicContact CB-CB 4.38Å; V827-I855 PolarHBondContact N-O 2.76Å; V827-I855 PolarHBondContact O-N 3.44Å
856	S	94.4	Very high	88.9	Confident	45 Å²	45	74.1 Å²	74.1	32%	0.315	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	144	-179.7	64.5	0	0	0	0	112.5	Q824 P854	Q824-S856 CarbonylContact O-C 3.52Å; Q824-S856 VanDerWaalsContact O-CA 3.28Å; Q824-S856 WeakPolarHBondContact O-CA 3.02Å; P854-S856 PolarHBondContact O-N 2.72Å
857	Y	94.6	Very high	90.4	Very high	14 Å²	14	74 Å²	74	6%	0.055	37%	0.372	C	S	.	.			trans	-69.7	131.4	168.6	178	-110.4	0	0	0	111.1	V820 E821 K823 Q824 T861 S863 L884 Q886	V820-Y857 HydrophobicContact CG1-CD1 4.28Å; V820-Y857 HydrophobicContact CG1-CD2 4.4Å; V820-Y857 HydrophobicContact CG1-CG 4.17Å; V820-Y857 HydrophobicContact CG2-CD1 3.86Å; V820-Y857 HydrophobicContact CG2-CG 3.79Å; E821-Y857 WeakPolarHBondContact O-CD1 3.49Å; K823-Y857 WeakPolarHBondContact CA-O 3.45Å; K823-Y857 PolarHBondContact N-O 2.89Å; Q824-Y857 PolarHBondContact O-N 3.49Å; Y857-T861 WeakPolarHBondContact CE1-O 3.49Å; Y857-T861 PolarHBondContact OH-O 2.67Å; Y857-S863 WeakPolarHBondContact CE2-OG 3.32Å; Y857-S863 VanDerWaalsContact CZ-OG 3.24Å; Y857-S863 PolarHBondContact OH-OG 2.77Å; Y857-L884 HydrophobicContact CD2-CD1 3.66Å; Y857-L884 HydrophobicContact CE2-CD1 3.9Å; Y857-Q886 PolarHBondContact OH-NE2 2.84Å
858	K	89.6	Confident	91.9	Very high	174 Å²	174	66.7 Å²	66.7	76%	0.757	34%	0.34	S	S	*	.			trans	-127.1	102	177.3	-65.2	-179.7	-177.7	178.8	0	108.7
859	G	87.3	Confident	93	Very high	19 Å²	19	65 Å²	65	20%	0.196	33%	0.327	C	S	.	.			trans	-160.5	150.4	-180	0	0	0	0	0	110.7	N822 T861	N822-G859 VanDerWaalsContact CB-O 3.25Å; N822-G859 WeakPolarHBondContact CB-O 3.29Å; N822-G859 PolarHBondContact OD1-N 3.1Å; N822-G859 PolarHBondContact OD1-O 3.08Å; G859-T861 VanDerWaalsContact C-N 3.33Å
860	S	87.3	Confident	93.5	Very high	90 Å²	90	62.6 Å²	62.6	63%	0.629	32%	0.318	S	S	*	.	S	Bend	trans	-74.9	-25.9	177.1	50.4	0	0	0	0	113
861	T	91.9	Very high	93.7	Very high	51 Å²	51	61.1 Å²	61.1	31%	0.313	32%	0.316	S	S	.	.	S	Bend	trans	-116.5	155.1	-179.3	-168	0	0	0	0	110.1	Y857 G859 Q886 L1016	Y857-T861 WeakPolarHBondContact CE1-O 3.49Å; Y857-T861 PolarHBondContact OH-O 2.67Å; G859-T861 VanDerWaalsContact C-N 3.33Å; T861-Q886 HydrophobicContact CG2-CG 4.47Å; T861-L1016 HydrophobicContact CG2-CD1 4.43Å; T861-L1016 HydrophobicContact CG2-CD2 4.07Å
862	D	95.4	Very high	93.5	Very high	60 Å²	60	55 Å²	55	32%	0.321	30%	0.299	S	S	.	.			trans	-66.6	151.2	177.9	-59.4	-13	0	0	0	110.6	K819 V820	K819-D862 HydrophobicContact CD-CB 3.92Å; K819-D862 WeakPolarHBondContact CD-OD2 3.4Å; K819-D862 WeakPolarHBondContact CE-OD2 3.43Å; K819-D862 HydrophobicContact CG-CB 3.9Å; K819-D862 IonicContact NZ-OD2 3.56Å; K819-D862 PolarHBondContact NZ-OD2 2.97Å; V820-D862 WeakPolarHBondContact O-CA 3.24Å
863	S	96.1	Very high	92.8	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	157.7	170.6	-54.2	0	0	0	0	110.2	K819 V820 Y857 Q886	K819-S863 CarbonylContact C-O 2.98Å; K819-S863 WeakPolarHBondContact CA-O 3.45Å; V820-S863 VanDerWaalsContact CG1-O 3.27Å; V820-S863 WeakPolarHBondContact CG1-O 3.47Å; V820-S863 PolarHBondContact N-O 3.11Å; V820-S863 PolarHBondContact O-N 3.09Å; Y857-S863 WeakPolarHBondContact CE2-OG 3.32Å; Y857-S863 VanDerWaalsContact CZ-OG 3.24Å; Y857-S863 PolarHBondContact OH-OG 2.77Å; S863-Q886 WeakPolarHBondContact OG-CG 3.34Å; S863-Q886 PolarHBondContact OG-NE2 2.77Å
864	Y	97.4	Very high	91.7	Very high	103 Å²	103	52.7 Å²	52.7	40%	0.404	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.4	169.7	-68.7	-93.3	0	0	0	109.2	E818 K819 E866 L884 R885	E818-Y864 WeakPolarHBondContact O-CA 3.34Å; K819-Y864 HydrophobicContact CB-CD1 4.19Å; K819-Y864 HydrophobicContact CB-CE1 3.81Å; K819-Y864 HydrophobicContact CG-CE1 4.09Å; K819-Y864 HydrophobicContact CG-CE2 4.39Å; Y864-E866 PolarHBondContact O-N 3.32Å; Y864-L884 CarbonylContact O-C 3.6Å; Y864-L884 WeakPolarHBondContact O-CA 3.39Å; Y864-R885 PolarHBondContact N-O 3.24Å; Y864-R885 PolarHBondContact O-N 2.96Å
865	I	97.4	Very high	90.7	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	114.4	171.6	-61.3	149.7	0	0	0	106.8	I807 C814 S815 G817 E818 V820 L826 V868 I882 L884	I807-I865 HydrophobicContact CD1-CD1 4.21Å; C814-I865 HydrophobicContact CB-CD1 3.52Å; C814-I865 WeakPolarHBondContact SG-CD1 3.39Å; S815-I865 WeakPolarHBondContact O-CD1 3.47Å; G817-I865 PolarHBondContact N-O 3.03Å; E818-I865 HydrophobicContact CB-CD1 4.47Å; E818-I865 PolarHBondContact O-N 2.95Å; V820-I865 HydrophobicContact CG1-CG1 4.45Å; L826-I865 HydrophobicContact CD2-CD1 4.37Å; L826-I865 HydrophobicContact CD2-CG1 4.43Å; I865-V868 HydrophobicContact CG2-CG2 3.77Å; I865-I882 HydrophobicContact CG2-CG2 4.02Å; I865-L884 HydrophobicContact CB-CD2 4.44Å; I865-L884 HydrophobicContact CG1-CD2 3.67Å
866	E	95.8	Very high	89.7	Confident	58 Å²	58	59.2 Å²	59.2	27%	0.271	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-36.9	-178.9	-173.6	148.4	159	0	0	112	R701 Y771 Y864 L883 R885	R701-E866 IonicContact NH1-OE1 3.13Å; R701-E866 PolarHBondContact NH1-OE1 3.37Å; Y771-E866 VanDerWaalsContact CE1-OE2 3.31Å; Y771-E866 WeakPolarHBondContact CE1-OE2 3.39Å; Y864-E866 PolarHBondContact O-N 3.32Å; E866-L883 PolarHBondContact N-O 3.14Å; E866-R885 HydrophobicContact CB-CB 4.43Å; E866-R885 VanDerWaalsContact CD-NH1 3.3Å; E866-R885 IonicContact OE1-NH1 3.68Å; E866-R885 WeakPolarHBondContact OE2-CB 3.18Å; E866-R885 WeakPolarHBondContact OE2-CD 3.1Å; E866-R885 IonicContact OE2-CZ 2.63Å; E866-R885 IonicContact OE2-NE 3.68Å; E866-R885 PolarHBondContact OE2-NE 3.31Å; E866-R885 IonicContact OE2-NH1 2.93Å; E866-R885 PolarHBondContact OE2-NH1 3.07Å
867	K	95.5	Very high	89.2	Confident	53 Å²	53	57.4 Å²	57.4	23%	0.23	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	136.4	-174.3	-179.2	171.1	50.6	178.2	0	110.4	R701 N702 R703 I704 L883	R701-K867 PolarHBondContact O-NZ 2.97Å; N702-K867 VanDerWaalsContact C-NZ 3.32Å; N702-K867 PolarHBondContact O-NZ 2.83Å; R703-K867 PolarHBondContact O-NZ 2.79Å; R703-K867 VanDerWaalsContact O-NZ 3.09Å; I704-K867 HydrophobicContact CD1-CD 4.47Å; K867-L883 HydrophobicContact CB-CB 4.17Å; K867-L883 PolarHBondContact O-N 2.93Å
868	V	96.4	Very high	89	Confident	36 Å²	36	62.3 Å²	62.3	22%	0.218	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128	169.3	179.2	0	0	0	0	107.4	I813 C814 P816 I865 I880 I882	I813-V868 HydrophobicContact CG2-CG1 3.66Å; C814-V868 WeakPolarHBondContact O-CG2 3.43Å; P816-V868 HydrophobicContact CG-CB 4.42Å; P816-V868 HydrophobicContact CG-CG2 4.19Å; I865-V868 HydrophobicContact CG2-CG2 3.77Å; V868-I880 HydrophobicContact CG1-CG2 4.19Å; V868-I882 HydrophobicContact CG1-CG1 4.37Å; V868-I882 HydrophobicContact CG2-CG1 4.22Å; V868-I882 HydrophobicContact CG2-CG2 4.36Å
869	M	95.3	Very high	89.2	Confident	31 Å²	31	54.2 Å²	54.2	15%	0.153	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.1	-179.4	-172.1	-75.9	-67.9	0	0	108.5	L104 I704 S871 I880 K881	L104-M869 HydrophobicContact CB-CE 4.18Å; L104-M869 VanDerWaalsContact O-CE 3.24Å; L104-M869 WeakPolarHBondContact O-CE 3.24Å; I704-M869 HydrophobicContact CD1-CB 3.76Å; I704-M869 HydrophobicContact CD1-CG 4.43Å; M869-S871 VanDerWaalsContact SD-CB 3.5Å; M869-I880 CarbonylContact O-C 3.46Å; M869-I880 WeakPolarHBondContact O-CA 3.25Å; M869-K881 HydrophobicContact CB-CB 4.46Å; M869-K881 HydrophobicContact CE-CB 4.03Å; M869-K881 HydrophobicContact CE-CD 3.75Å; M869-K881 HydrophobicContact CE-CG 3.97Å; M869-K881 PolarHBondContact N-O 3.46Å; M869-K881 PolarHBondContact O-N 2.87Å
870	I	94.9	Very high	89.6	Confident	96 Å²	96	53.5 Å²	53.5	49%	0.492	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.1	175.2	-54.3	175.1	0	0	0	107.1	I813 I880	I813-I870 HydrophobicContact CD1-CD1 3.74Å; I813-I870 HydrophobicContact CD1-CG1 4.37Å; I870-I880 HydrophobicContact CG1-CG1 4.46Å
871	S	91.9	Very high	90	Very high	25 Å²	25	49.4 Å²	49.4	18%	0.175	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	164.4	175.3	-179	0	0	0	0	110.2	R105 M869 F878 L879	R105-S871 WeakPolarHBondContact CG-OG 3.36Å; M869-S871 VanDerWaalsContact SD-CB 3.5Å; S871-F878 CarbonylContact O-C 3.57Å; S871-F878 WeakPolarHBondContact O-CA 3.29Å; S871-L879 PolarHBondContact N-O 2.96Å; S871-L879 PolarHBondContact O-N 3.28Å
872	S	86.2	Confident	90.2	Very high	42 Å²	42	47 Å²	47	29%	0.294	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	147.6	164.8	54.1	0	0	0	0	111.1	R105 A877	R105-S872 PolarHBondContact NE-O 3.07Å; R105-S872 PolarHBondContact NH2-O 2.92Å; S872-A877 WeakPolarHBondContact CA-O 3.4Å
873	N	78.4	Confident	90.3	Very high	35 Å²	35	44.4 Å²	44.4	19%	0.187	23%	0.23	C	C	.	.			trans	-86	-175.7	165.6	71.6	-1.9	0	0	0	110.5	E875 D876 A877	N873-E875 PolarHBondContact O-N 3.18Å; N873-E875 WeakPolarHBondContact OD1-CA 3.43Å; N873-E875 PolarHBondContact OD1-N 3.17Å; N873-D876 PolarHBondContact O-N 3.02Å; N873-D876 PolarHBondContact OD1-N 3.02Å; N873-A877 PolarHBondContact N-O 3.41Å; N873-A877 WeakPolarHBondContact OD1-CA 3.23Å; N873-A877 WeakPolarHBondContact OD1-CB 3.2Å; N873-A877 PolarHBondContact OD1-N 3.44Å; N873-A877 PolarHBondContact OD1-O 3.3Å
874	A	69.7	Low	90.3	Very high	63 Å²	63	44.6 Å²	44.6	52%	0.521	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.9	177	0	0	0	0	0	114.2	M107 D876	M107-A874 HydrophobicContact CE-CB 4.05Å; A874-D876 VanDerWaalsContact C-N 3.29Å
875	E	73.5	Confident	90.3	Very high	159 Å²	159	43.2 Å²	43.2	74%	0.743	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	15.5	177.8	-59.8	171.9	174.1	0	0	111.4	N873 A877	N873-E875 PolarHBondContact O-N 3.18Å; N873-E875 WeakPolarHBondContact OD1-CA 3.43Å; N873-E875 PolarHBondContact OD1-N 3.17Å; E875-A877 PolarHBondContact O-N 3.23Å
876	D	74	Confident	90.3	Very high	87 Å²	87	43.7 Å²	43.7	47%	0.465	23%	0.227	S	C	.	.	S	Bend	trans	53.2	20.1	-172.6	-62.4	-40.6	0	0	0	114.6	S90 N873 A874	S90-D876 PolarHBondContact OG-OD1 3.02Å; S90-D876 VanDerWaalsContact OG-OD1 3.09Å; N873-D876 PolarHBondContact O-N 3.02Å; N873-D876 PolarHBondContact OD1-N 3.02Å; A874-D876 VanDerWaalsContact C-N 3.29Å
877	A	83.8	Confident	90.3	Very high	7 Å²	7	44.2 Å²	44.2	6%	0.058	24%	0.235	C	C	.	.			trans	-81.6	129.4	173.7	0	0	0	0	0	110.1	I777 L778 S872 N873 E875 L879	I777-A877 HydrophobicContact CG2-CB 4.41Å; L778-A877 WeakPolarHBondContact O-CB 3.25Å; S872-A877 WeakPolarHBondContact CA-O 3.4Å; N873-A877 PolarHBondContact N-O 3.41Å; N873-A877 WeakPolarHBondContact OD1-CA 3.23Å; N873-A877 WeakPolarHBondContact OD1-CB 3.2Å; N873-A877 PolarHBondContact OD1-N 3.44Å; N873-A877 PolarHBondContact OD1-O 3.3Å; E875-A877 PolarHBondContact O-N 3.23Å; A877-L879 PolarHBondContact O-N 3.27Å
878	F	91.1	Very high	90.3	Very high	117 Å²	117	42.5 Å²	42.5	51%	0.513	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	131.2	176.6	-68.6	-66.5	0	0	0	111	I777 L778 S871	I777-F878 CarbonylContact C-O 3.54Å; I777-F878 WeakPolarHBondContact CA-O 3.43Å; L778-F878 HydrophobicContact CB-CB 4.13Å; L778-F878 HydrophobicContact CD1-CB 4Å; L778-F878 HydrophobicContact CG-CB 4.31Å; L778-F878 PolarHBondContact N-O 3.35Å; L778-F878 PolarHBondContact O-N 3.31Å; S871-F878 CarbonylContact O-C 3.57Å; S871-F878 WeakPolarHBondContact O-CA 3.29Å
879	L	93.8	Very high	90.3	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.2	176.9	173.7	66.1	0	0	0	108.2	D106 I777 S871 A877 K881	D106-L879 HydrophobicContact CB-CD2 4.01Å; I777-L879 HydrophobicContact CD1-CD1 4.42Å; I777-L879 HydrophobicContact CG1-CD1 3.71Å; S871-L879 PolarHBondContact N-O 2.96Å; S871-L879 PolarHBondContact O-N 3.28Å; A877-L879 PolarHBondContact O-N 3.27Å; L879-K881 HydrophobicContact CD1-CG 4.35Å; L879-K881 HydrophobicContact CG-CG 4.3Å
880	I	95.5	Very high	90.4	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.3	174.6	-56.4	165.2	0	0	0	107.5	K775 C776 L778 V789 I813 V827 V868 M869 I870 I882	K775-I880 CarbonylContact C-O 3.55Å; K775-I880 WeakPolarHBondContact CA-O 3.33Å; C776-I880 HydrophobicContact CB-CB 4.32Å; C776-I880 PolarHBondContact N-O 3.05Å; C776-I880 PolarHBondContact O-N 3.39Å; L778-I880 HydrophobicContact CD1-CD1 4.28Å; V789-I880 HydrophobicContact CG2-CD1 4.34Å; I813-I880 HydrophobicContact CD1-CD1 3.67Å; I813-I880 HydrophobicContact CD1-CG1 4.34Å; I813-I880 HydrophobicContact CG1-CD1 4.19Å; I813-I880 HydrophobicContact CG2-CG2 4.18Å; V827-I880 HydrophobicContact CG1-CD1 4.18Å; V827-I880 HydrophobicContact CG2-CG2 4.32Å; V868-I880 HydrophobicContact CG1-CG2 4.19Å; M869-I880 CarbonylContact O-C 3.46Å; M869-I880 WeakPolarHBondContact O-CA 3.25Å; I870-I880 HydrophobicContact CG1-CG1 4.46Å; I880-I882 HydrophobicContact CG2-CD1 4.39Å; I880-I882 HydrophobicContact CG2-CG1 4.14Å
881	K	95.8	Very high	90.5	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.017	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.3	172.5	-70.7	-177.1	171.9	169.4	0	109.9	R103 L104 D106 I704 K775 M869 L879	R103-K881 PolarHBondContact O-NZ 2.99Å; L104-K881 WeakPolarHBondContact O-CE 3.34Å; L104-K881 PolarHBondContact O-NZ 2.76Å; D106-K881 WeakPolarHBondContact OD1-CE 2.91Å; D106-K881 IonicContact OD1-NZ 2.74Å; D106-K881 PolarHBondContact OD1-NZ 2.87Å; I704-K881 HydrophobicContact CD1-CB 4.08Å; I704-K881 HydrophobicContact CG2-CB 4.27Å; I704-K881 HydrophobicContact CG2-CD 4.35Å; K775-K881 HydrophobicContact CB-CG 4.16Å; M869-K881 HydrophobicContact CB-CB 4.46Å; M869-K881 HydrophobicContact CE-CB 4.03Å; M869-K881 HydrophobicContact CE-CD 3.75Å; M869-K881 HydrophobicContact CE-CG 3.97Å; M869-K881 PolarHBondContact N-O 3.46Å; M869-K881 PolarHBondContact O-N 2.87Å; L879-K881 HydrophobicContact CD1-CG 4.35Å; L879-K881 HydrophobicContact CG-CG 4.3Å
882	I	96.3	Very high	90.7	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.1	-178.6	-58.8	167.3	0	0	0	108	N773 T774 L826 V827 I865 V868 I880 L884	N773-I882 WeakPolarHBondContact CA-O 3.43Å; N773-I882 PolarHBondContact OD1-O 3.35Å; T774-I882 PolarHBondContact N-O 3.12Å; T774-I882 PolarHBondContact O-N 3.27Å; L826-I882 HydrophobicContact CB-CD1 3.94Å; V827-I882 HydrophobicContact CG2-CD1 3.46Å; V827-I882 VanDerWaalsContact CG2-CD1 3.46Å; I865-I882 HydrophobicContact CG2-CG2 4.02Å; V868-I882 HydrophobicContact CG1-CG1 4.37Å; V868-I882 HydrophobicContact CG2-CG1 4.22Å; V868-I882 HydrophobicContact CG2-CG2 4.36Å; I880-I882 HydrophobicContact CG2-CD1 4.39Å; I880-I882 HydrophobicContact CG2-CG1 4.14Å; I882-L884 HydrophobicContact CG2-CD2 3.9Å; I882-L884 HydrophobicContact CG2-CG 4.33Å
883	L	97.5	Very high	91.2	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.1	176.2	-173.5	65.3	0	0	0	109.3	I704 Y771 E866 K867	I704-L883 HydrophobicContact CG2-CD1 4.3Å; Y771-L883 HydrophobicContact CD1-CD1 3.99Å; Y771-L883 HydrophobicContact CD1-CD2 3.91Å; Y771-L883 HydrophobicContact CD1-CG 3.85Å; Y771-L883 HydrophobicContact CE1-CD2 4.37Å; Y771-L883 HydrophobicContact CG-CD1 4.36Å; E866-L883 PolarHBondContact N-O 3.14Å; K867-L883 HydrophobicContact CB-CB 4.17Å; K867-L883 PolarHBondContact O-N 2.93Å
884	L	96.9	Very high	92.1	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132.7	176.3	-58.8	175.5	0	0	0	109.5	Y771 K772 V820 L826 Y857 Y864 I865 I882	Y771-L884 CarbonylContact C-O 3.58Å; Y771-L884 VanDerWaalsContact CA-O 3.24Å; Y771-L884 WeakPolarHBondContact CA-O 3.41Å; K772-L884 PolarHBondContact N-O 3.16Å; K772-L884 PolarHBondContact O-N 2.91Å; V820-L884 HydrophobicContact CG1-CD2 4.06Å; L826-L884 HydrophobicContact CD1-CD1 4.12Å; L826-L884 HydrophobicContact CD2-CD2 4.18Å; Y857-L884 HydrophobicContact CD2-CD1 3.66Å; Y857-L884 HydrophobicContact CE2-CD1 3.9Å; Y864-L884 CarbonylContact O-C 3.6Å; Y864-L884 WeakPolarHBondContact O-CA 3.39Å; I865-L884 HydrophobicContact CB-CD2 4.44Å; I865-L884 HydrophobicContact CG1-CD2 3.67Å; I882-L884 HydrophobicContact CG2-CD2 3.9Å; I882-L884 HydrophobicContact CG2-CG 4.33Å
885	R	97	Very high	93.4	Very high	74 Å²	74	44 Å²	44	28%	0.279	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.7	175.4	-179	-174.6	59.4	-153.9	8.9	110.7	Y771 Y864 E866	Y771-R885 HydrophobicContact CD1-CB 3.98Å; Y771-R885 HydrophobicContact CD1-CG 4.29Å; Y771-R885 HydrophobicContact CE1-CB 3.69Å; Y771-R885 HydrophobicContact CE1-CG 3.72Å; Y771-R885 WeakPolarHBondContact OH-CD 3.28Å; Y864-R885 PolarHBondContact N-O 3.24Å; Y864-R885 PolarHBondContact O-N 2.96Å; E866-R885 HydrophobicContact CB-CB 4.43Å; E866-R885 VanDerWaalsContact CD-NH1 3.3Å; E866-R885 IonicContact OE1-NH1 3.68Å; E866-R885 WeakPolarHBondContact OE2-CB 3.18Å; E866-R885 WeakPolarHBondContact OE2-CD 3.1Å; E866-R885 IonicContact OE2-CZ 2.63Å; E866-R885 IonicContact OE2-NE 3.68Å; E866-R885 PolarHBondContact OE2-NE 3.31Å; E866-R885 IonicContact OE2-NH1 2.93Å; E866-R885 PolarHBondContact OE2-NH1 3.07Å
886	Q	96.1	Very high	94.5	Very high	11 Å²	11	36.5 Å²	36.5	5%	0.051	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.3	165.9	-61.6	178	-4.8	0	0	109.4	V770 Y857 T861 S863 R888	V770-Q886 HydrophobicContact CB-CB 4.36Å; V770-Q886 PolarHBondContact N-O 2.75Å; V770-Q886 PolarHBondContact O-N 2.76Å; Y857-Q886 PolarHBondContact OH-NE2 2.84Å; T861-Q886 HydrophobicContact CG2-CG 4.47Å; S863-Q886 WeakPolarHBondContact OG-CG 3.34Å; S863-Q886 PolarHBondContact OG-NE2 2.77Å; Q886-R888 HydrophobicContact CB-CG 4.46Å
887	T	96.6	Very high	95.6	Very high	70 Å²	70	32.4 Å²	32.4	43%	0.429	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	119.6	172.8	-60.1	0	0	0	0	108.4	R767 L769	R767-T887 HydrophobicContact CG-CG2 4.22Å; L769-T887 HydrophobicContact CD2-CG2 3.94Å; L769-T887 WeakPolarHBondContact CD2-OG1 3.22Å
888	R	95.5	Very high	96.2	Very high	17 Å²	17	32 Å²	32	6%	0.064	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	125	-176.4	-58.2	-173.6	-173.5	173.2	0.6	110.8	R767 C768 V770 Q886 D1017	R767-R888 WeakPolarHBondContact CD-O 3.48Å; C768-R888 PolarHBondContact N-O 3.17Å; C768-R888 PolarHBondContact O-N 2.6Å; C768-R888 PolarHBondContact SG-O 3.19Å; C768-R888 VanDerWaalsContact SG-O 3.39Å; V770-R888 HydrophobicContact CG2-CG 4.28Å; Q886-R888 HydrophobicContact CB-CG 4.46Å; R888-D1017 IonicContact CZ-OD1 3.58Å; R888-D1017 IonicContact CZ-OD2 3.25Å; R888-D1017 IonicContact NH1-OD1 2.75Å; R888-D1017 PolarHBondContact NH1-OD1 3.18Å; R888-D1017 IonicContact NH1-OD2 2.77Å; R888-D1017 PolarHBondContact NH1-OD2 2.64Å; R888-D1017 IonicContact NH2-OD1 3.56Å; R888-D1017 PolarHBondContact NH2-OD1 3.17Å; R888-D1017 IonicContact NH2-OD2 3.43Å
889	R	96.1	Very high	96.4	Very high	86 Å²	86	26.6 Å²	26.6	33%	0.325	13%	0.13	S	C	.	.			trans	-79.1	145.7	167.7	-176.6	-174.1	173.7	164.1	7.9	108.5	K758 L761 D762 E891	K758-R889 PolarHBondContact O-NH2 3.35Å; L761-R889 HydrophobicContact CB-CG 4.48Å; D762-R889 IonicContact OD1-CZ 3.36Å; D762-R889 IonicContact OD1-NH1 3.02Å; D762-R889 PolarHBondContact OD1-NH1 3.47Å; D762-R889 IonicContact OD1-NH2 2.73Å; D762-R889 PolarHBondContact OD1-NH2 2.79Å; D762-R889 IonicContact OD2-CZ 2.92Å; D762-R889 IonicContact OD2-NH1 3.27Å; D762-R889 IonicContact OD2-NH2 2.69Å; D762-R889 PolarHBondContact OD2-NH2 2.89Å; R889-E891 PolarHBondContact O-N 3.49Å
890	P	97.4	Very high	96.6	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.026	13%	0.128	C	C	.	.			trans	-55.8	137.6	168.4	-21.8	31.9	0	0	0	112.2	L761 G766 D894 F896 K1010	L761-P890 HydrophobicContact CD2-CB 3.71Å; L761-P890 HydrophobicContact CD2-CG 3.57Å; G766-P890 WeakPolarHBondContact O-CD 3.43Å; G766-P890 VanDerWaalsContact O-CG 3.29Å; G766-P890 WeakPolarHBondContact O-CG 3.33Å; P890-D894 WeakPolarHBondContact CA-OD2 3.44Å; P890-F896 HydrophobicContact CB-CE2 4.27Å; P890-F896 HydrophobicContact CB-CZ 3.95Å; P890-F896 HydrophobicContact CG-CZ 4.04Å; P890-K1010 HydrophobicContact CG-CD 4.46Å
891	E	96.5	Very high	96.4	Very high	78 Å²	78	26.3 Å²	26.3	36%	0.364	13%	0.129	S	C	.	.			trans	-132.1	170	177.6	65	-173.7	169.8	0	0	110.7	R889 G893 D894 V1015	R889-E891 PolarHBondContact O-N 3.49Å; E891-G893 PolarHBondContact O-N 3.09Å; E891-D894 WeakPolarHBondContact O-CB 3.28Å; E891-D894 PolarHBondContact O-N 3.1Å; E891-D894 VanDerWaalsContact O-N 3.09Å; E891-V1015 HydrophobicContact CG-CG1 3.65Å; E891-V1015 WeakPolarHBondContact OE1-CG1 3.44Å
892	I	97.6	Very high	96.3	Very high	98 Å²	98	26.5 Å²	26.5	50%	0.503	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	130.4	177.3	-60.3	174.1	0	0	0	109	C906 I909 V1015	I892-C906 WeakPolarHBondContact CG2-O 3.24Å; I892-I909 HydrophobicContact CG1-CD1 4.14Å; I892-I909 HydrophobicContact CG1-CG1 4.21Å; I892-V1015 WeakPolarHBondContact O-CG1 3.49Å
893	G	95.7	Very high	96.2	Very high	24 Å²	24	31.8 Å²	31.8	25%	0.247	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	-12.3	-175	0	0	0	0	0	115.4	E891 V905 C906	E891-G893 PolarHBondContact O-N 3.09Å; G893-V905 VanDerWaalsContact C-CG1 3.48Å; G893-C906 PolarHBondContact N-O 3.31Å
894	D	97.3	Very high	96	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.011	15%	0.154	C	C	.	.			trans	-69.2	143.7	173.1	-89.1	0.7	0	0	0	111.8	P890 E891 F896 V905 C906 K1010 M1014 V1015	P890-D894 WeakPolarHBondContact CA-OD2 3.44Å; E891-D894 WeakPolarHBondContact O-CB 3.28Å; E891-D894 PolarHBondContact O-N 3.1Å; E891-D894 VanDerWaalsContact O-N 3.09Å; D894-F896 HydrophobicContact CB-CE2 4.32Å; D894-V905 WeakPolarHBondContact O-CA 3.44Å; D894-C906 PolarHBondContact O-N 3.27Å; D894-K1010 WeakPolarHBondContact OD2-CE 3.43Å; D894-K1010 IonicContact OD2-NZ 3.59Å; D894-K1010 PolarHBondContact OD2-NZ 3.4Å; D894-M1014 WeakPolarHBondContact OD1-CA 3.31Å; D894-M1014 WeakPolarHBondContact OD1-CB 2.99Å; D894-M1014 WeakPolarHBondContact OD1-CG 3.43Å; D894-V1015 PolarHBondContact OD1-N 3.32Å
895	K	97.3	Very high	96	Very high	66 Å²	66	34.1 Å²	34.1	29%	0.287	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.3	-178.2	-64.9	-162.1	176.9	-164.1	0	113	V905 L1011 H1013	K895-V905 HydrophobicContact CG-CG2 4.24Å; K895-L1011 HydrophobicContact CB-CB 4.12Å; K895-L1011 HydrophobicContact CB-CD1 4.2Å; K895-L1011 PolarHBondContact O-N 3.42Å; K895-H1013 HydrophobicContact CD-CB 4.1Å; K895-H1013 HydrophobicContact CG-CB 4.46Å
896	F	97.6	Very high	96.1	Very high	3 Å²	3	30.7 Å²	30.7	1%	0.013	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	160.5	168.8	-68.5	-99.5	0	0	0	110.1	L754 L756 F765 P890 D894 G904 Y1008 Q1009 K1010	L754-F896 HydrophobicContact CD1-CB 3.67Å; L754-F896 HydrophobicContact CD1-CD2 4.34Å; L754-F896 HydrophobicContact CD1-CG 4.31Å; L756-F896 HydrophobicContact CD1-CE2 3.82Å; L756-F896 HydrophobicContact CD1-CZ 4.17Å; F765-F896 HydrophobicContact CE1-CE1 4.22Å; P890-F896 HydrophobicContact CB-CE2 4.27Å; P890-F896 HydrophobicContact CB-CZ 3.95Å; P890-F896 HydrophobicContact CG-CZ 4.04Å; D894-F896 HydrophobicContact CB-CE2 4.32Å; F896-G904 PolarHBondContact N-O 2.95Å; F896-G904 PolarHBondContact O-N 2.73Å; F896-G904 VanDerWaalsContact O-O 3.08Å; F896-Y1008 HydrophobicContact CB-CD1 4.12Å; F896-Q1009 CarbonylContact C-O 3.25Å; F896-Q1009 WeakPolarHBondContact CA-O 3.2Å; F896-K1010 HydrophobicContact CD1-CB 4.09Å; F896-K1010 HydrophobicContact CD1-CG 4.38Å; F896-K1010 HydrophobicContact CE1-CB 3.9Å; F896-K1010 HydrophobicContact CE1-CD 4.25Å; F896-K1010 HydrophobicContact CE1-CG 4.02Å; F896-K1010 HydrophobicContact CZ-CD 4.14Å; F896-K1010 HydrophobicContact CZ-CG 4.21Å
897	S	96.9	Very high	96.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	138.5	173.7	-168.7	0	0	0	0	109.4	Q902 Q1009	S897-Q902 WeakPolarHBondContact CA-O 3.45Å; S897-Q1009 PolarHBondContact N-O 3.29Å; S897-Q1009 PolarHBondContact O-N 3.07Å
898	S	95.3	Very high	96.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	168.5	156	74.3	0	0	0	0	109.5	Q685 H900 Q902	Q685-S898 PolarHBondContact OE1-O 2.88Å; S898-H900 PolarHBondContact O-N 3.44Å; S898-H900 VanDerWaalsContact O-N 3.09Å; S898-H900 PolarHBondContact OG-N 3.37Å; S898-Q902 PolarHBondContact N-O 2.94Å; S898-Q902 VanDerWaalsContact N-O 3.16Å; S898-Q902 WeakPolarHBondContact OG-CB 3.09Å
899	R	96.1	Very high	96.3	Very high	2 Å²	2	31 Å²	31	1%	0.008	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	11.2	174.7	-66.5	-169.8	-65.8	167.8	-12.2	114.8	L670 Q685 V719 E944 Y1007	L670-R899 PolarHBondContact O-NH1 3.08Å; L670-R899 VanDerWaalsContact O-NH1 3.08Å; Q685-R899 VanDerWaalsContact CG-O 3.22Å; Q685-R899 WeakPolarHBondContact CG-O 3.23Å; V719-R899 PolarHBondContact O-NH1 2.83Å; V719-R899 VanDerWaalsContact O-NH1 3.1Å; V719-R899 PolarHBondContact O-NH2 3.45Å; R899-E944 IonicContact CZ-OE1 3.39Å; R899-E944 IonicContact NE-OE1 2.62Å; R899-E944 PolarHBondContact NE-OE1 3.05Å; R899-E944 IonicContact NH2-OE1 3.15Å; R899-E944 PolarHBondContact NH2-OE1 3.41Å; R899-Y1007 HydrophobicContact CG-CD1 3.96Å
900	H	97.4	Very high	96.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	23.8	-174.9	-65.1	-96.3	0	0	0	112.8	P672 N677 S898 Q902 T938 G940 K941 E944	P672-H900 WeakPolarHBondContact CG-NE2 3.26Å; P672-H900 PolarHBondContact O-CE1 3.18Å; N677-H900 PolarHBondContact ND2-ND1 2.83Å; N677-H900 PolarHBondContact OD1-ND1 2.98Å; S898-H900 PolarHBondContact O-N 3.44Å; S898-H900 VanDerWaalsContact O-N 3.09Å; S898-H900 PolarHBondContact OG-N 3.37Å; H900-Q902 PolarHBondContact O-N 3.49Å; H900-T938 HydrophobicContact CB-CG2 4.27Å; H900-G940 PolarHBondContact CE1-O 3.43Å; H900-K941 HydrophobicContact CB-CB 4.32Å; H900-K941 PolarHBondContact CE1-N 2.89Å; H900-K941 VanDerWaalsContact CE1-N 3.28Å; H900-E944 IonicContact CD2-OE2 2.94Å; H900-E944 PolarHBondContact CD2-OE2 3.41Å; H900-E944 IonicContact NE2-OE2 3.03Å; H900-E944 PolarHBondContact NE2-OE2 3.39Å; H900-E944 VanDerWaalsContact NE2-OE2 3.13Å
901	G	92.4	Very high	96.4	Very high	3 Å²	3	29.3 Å²	29.3	3%	0.031	16%	0.16	C	C	.	.	S	Bend	trans	66.1	24.1	179.5	0	0	0	0	0	113.6
902	Q	93.3	Very high	96.4	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.033	16%	0.158	C	C	.	.			trans	-98.6	92.9	169.5	-60.9	177.9	-19.2	0	0	108.1	S897 S898 H900 M928 T938	S897-Q902 WeakPolarHBondContact CA-O 3.45Å; S898-Q902 PolarHBondContact N-O 2.94Å; S898-Q902 VanDerWaalsContact N-O 3.16Å; S898-Q902 WeakPolarHBondContact OG-CB 3.09Å; H900-Q902 PolarHBondContact O-N 3.49Å; Q902-M928 PolarHBondContact OE1-SD 3.05Å; Q902-M928 VanDerWaalsContact OE1-SD 3.41Å; Q902-T938 HydrophobicContact CG-CG2 4.48Å; Q902-T938 PolarHBondContact NE2-OG1 3.41Å
903	K	94	Very high	96.4	Very high	114 Å²	114	31.5 Å²	31.5	50%	0.496	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	135.8	169.9	67.2	-171	-179.1	-168.1	0	108.3
904	G	93.9	Very high	96.5	Very high	4 Å²	4	33 Å²	33	4%	0.041	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.4	175.5	0	0	0	0	0	111.3	D752 F896	D752-G904 WeakPolarHBondContact O-CA 3.42Å; F896-G904 PolarHBondContact N-O 2.95Å; F896-G904 PolarHBondContact O-N 2.73Å; F896-G904 VanDerWaalsContact O-O 3.08Å
905	V	97	Very high	96.5	Very high	54 Å²	54	33 Å²	33	33%	0.327	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	143.3	176.9	-176.2	0	0	0	0	108	A753 L754 G893 D894 K895 G907	A753-V905 CarbonylContact C-O 3.55Å; A753-V905 VanDerWaalsContact CA-O 3.31Å; A753-V905 WeakPolarHBondContact CA-O 3.42Å; L754-V905 PolarHBondContact N-O 3.3Å; G893-V905 VanDerWaalsContact C-CG1 3.48Å; D894-V905 WeakPolarHBondContact O-CA 3.44Å; K895-V905 HydrophobicContact CG-CG2 4.24Å; V905-G907 PolarHBondContact O-N 3.38Å
906	C	97.1	Very high	96.5	Very high	1 Å²	1	30 Å²	30	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	110.7	168.7	-178.3	0	0	0	0	109.6	L756 I892 G893 D894 I909	L756-C906 HydrophobicContact CD1-CB 3.89Å; L756-C906 VanDerWaalsContact CD1-SG 3.52Å; L756-C906 HydrophobicContact CG-CB 4.41Å; I892-C906 WeakPolarHBondContact CG2-O 3.24Å; G893-C906 PolarHBondContact N-O 3.31Å; D894-C906 PolarHBondContact O-N 3.27Å; C906-I909 VanDerWaalsContact SG-CG1 3.57Å
907	G	96.8	Very high	96.5	Very high	20 Å²	20	33.9 Å²	33.9	21%	0.206	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-42.1	-179.8	0	0	0	0	0	112.6	L754 V905	L754-G907 PolarHBondContact O-N 3.4Å; V905-G907 PolarHBondContact O-N 3.38Å
908	L	97.6	Very high	96.4	Very high	41 Å²	41	34 Å²	34	22%	0.215	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	147.9	178.6	-174.2	65.6	0	0	0	110.5	Y748 V755 L756 V910	Y748-L908 HydrophobicContact CD1-CB 4.36Å; Y748-L908 HydrophobicContact CD2-CD2 3.86Å; Y748-L908 HydrophobicContact CE2-CD2 4.44Å; Y748-L908 HydrophobicContact CG-CB 3.98Å; Y748-L908 HydrophobicContact CG-CD2 4.11Å; Y748-L908 HydrophobicContact CG-CG 4.45Å; V755-L908 WeakPolarHBondContact CA-O 3.48Å; V755-L908 HydrophobicContact CG1-CB 4.27Å; V755-L908 HydrophobicContact CG2-CB 4.33Å; L756-L908 PolarHBondContact N-O 3.3Å; L908-V910 HydrophobicContact CD2-CG1 3.42Å; L908-V910 VanDerWaalsContact CD2-CG1 3.42Å; L908-V910 HydrophobicContact CG-CG1 3.68Å
909	I	98.1	Very high	96.4	Very high	45 Å²	45	39.9 Å²	39.9	23%	0.231	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.2	171.6	-61.9	173.7	0	0	0	107	L756 K758 L761 I892 C906	L756-I909 WeakPolarHBondContact O-CA 3.44Å; K758-I909 HydrophobicContact CB-CG2 3.7Å; K758-I909 HydrophobicContact CG-CG2 4.1Å; L761-I909 HydrophobicContact CD1-CD1 3.83Å; L761-I909 HydrophobicContact CD1-CG1 4.12Å; L761-I909 HydrophobicContact CD1-CG2 3.91Å; I892-I909 HydrophobicContact CG1-CD1 4.14Å; I892-I909 HydrophobicContact CG1-CG1 4.21Å; C906-I909 VanDerWaalsContact SG-CG1 3.57Å
910	V	97.6	Very high	96.3	Very high	9 Å²	9	44.2 Å²	44.2	6%	0.055	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	145.4	-176.6	-62	0	0	0	0	111.6	Y745 V755 L756 K758 L908 M915	Y745-V910 HydrophobicContact CE1-CG1 4.23Å; V755-V910 HydrophobicContact CG1-CB 4.41Å; V755-V910 HydrophobicContact CG1-CG1 3.84Å; V755-V910 HydrophobicContact CG1-CG2 3.73Å; L756-V910 PolarHBondContact O-N 3.37Å; K758-V910 VanDerWaalsContact CB-O 3.26Å; K758-V910 WeakPolarHBondContact CB-O 3.5Å; K758-V910 PolarHBondContact N-O 2.87Å; L908-V910 HydrophobicContact CD2-CG1 3.42Å; L908-V910 VanDerWaalsContact CD2-CG1 3.42Å; L908-V910 HydrophobicContact CG-CG1 3.68Å; V910-M915 HydrophobicContact CG2-CE 3.23Å; V910-M915 HydrophobicContact CG2-CG 3.89Å; V910-M915 HydrophobicContact CG2-SD 3.45Å; V910-M915 WeakPolarHBondContact CG2-SD 3.14Å
911	P	98	Very high	96.1	Very high	45 Å²	45	46.6 Å²	46.6	29%	0.292	26%	0.259	S	S	.	.			trans	-51.7	159.3	167.5	-25.8	35.1	0	0	0	113.2	E913 D914	P911-E913 HydrophobicContact CB-CG 4.04Å; P911-D914 VanDerWaalsContact CD-OD2 3.32Å; P911-D914 WeakPolarHBondContact CD-OD2 3.46Å; P911-D914 WeakPolarHBondContact CG-OD2 3.2Å
912	Q	97.8	Very high	96.4	Very high	69 Å²	69	49.9 Å²	49.9	32%	0.322	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-32.9	179.6	-178.5	171.5	3.6	0	0	112.7	A759 D914 M915 C923	A759-Q912 HydrophobicContact CB-CB 3.69Å; A759-Q912 HydrophobicContact CB-CG 4.41Å; A759-Q912 VanDerWaalsContact CB-OE1 3.29Å; Q912-D914 VanDerWaalsContact C-N 3.31Å; Q912-D914 PolarHBondContact O-N 3.11Å; Q912-M915 WeakPolarHBondContact O-CB 3.12Å; Q912-M915 PolarHBondContact O-N 3Å; Q912-C923 PolarHBondContact NE2-SG 2.98Å
913	E	97.1	Very high	96.6	Very high	152 Å²	152	50.4 Å²	50.4	71%	0.71	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-32.8	179.8	62.5	-156.9	179.9	0	0	112.9	P911 M915 G991	P911-E913 HydrophobicContact CB-CG 4.04Å; E913-M915 VanDerWaalsContact C-N 3.29Å; E913-M915 PolarHBondContact O-N 3.22Å; E913-G991 WeakPolarHBondContact O-CA 3.18Å
914	D	97.1	Very high	96.8	Very high	56 Å²	56	45 Å²	45	30%	0.299	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.9	176.9	-60.2	-29	0	0	0	112.4	Y745 P911 Q912	Y745-D914 PolarHBondContact OH-O 2.98Å; P911-D914 VanDerWaalsContact CD-OD2 3.32Å; P911-D914 WeakPolarHBondContact CD-OD2 3.46Å; P911-D914 WeakPolarHBondContact CG-OD2 3.2Å; Q912-D914 VanDerWaalsContact C-N 3.31Å; Q912-D914 PolarHBondContact O-N 3.11Å
915	M	97.6	Very high	97	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	26%	0.261	C	S	.	.	S	Bend	trans	-69.9	141.5	-179.1	-75.5	-65.5	-156.2	0	0	110.7	V755 N757 V910 Q912 E913 C923 P924 I927	V755-M915 HydrophobicContact CG1-CE 4.27Å; N757-M915 HydrophobicContact CB-CE 3.71Å; N757-M915 HydrophobicContact CB-CG 4.42Å; V910-M915 HydrophobicContact CG2-CE 3.23Å; V910-M915 HydrophobicContact CG2-CG 3.89Å; V910-M915 HydrophobicContact CG2-SD 3.45Å; V910-M915 WeakPolarHBondContact CG2-SD 3.14Å; Q912-M915 WeakPolarHBondContact O-CB 3.12Å; Q912-M915 PolarHBondContact O-N 3Å; E913-M915 VanDerWaalsContact C-N 3.29Å; E913-M915 PolarHBondContact O-N 3.22Å; M915-C923 HydrophobicContact CB-CB 4.02Å; M915-P924 HydrophobicContact SD-CG 4.06Å; M915-I927 HydrophobicContact CE-CD1 4.24Å; M915-I927 HydrophobicContact CE-CG1 4.29Å; M915-I927 HydrophobicContact SD-CD1 3.54Å; M915-I927 VanDerWaalsContact SD-CD1 3.54Å; M915-I927 HydrophobicContact SD-CG1 4.1Å
916	P	97.7	Very high	97	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.026	25%	0.245	C	C	.	.			trans	-65.7	144.5	174.4	30.1	-35.1	0	0	0	110.4	M743 C923 P924 I927 V988 T989 L997	M743-P916 HydrophobicContact CE-CG 4.42Å; M743-P916 HydrophobicContact SD-CB 4.44Å; M743-P916 HydrophobicContact SD-CG 3.68Å; P916-C923 WeakPolarHBondContact O-CA 3.37Å; P916-P924 HydrophobicContact CG-CG 4.34Å; P916-P924 WeakPolarHBondContact O-CD 3.28Å; P916-I927 HydrophobicContact CG-CD1 4.34Å; P916-V988 HydrophobicContact CB-CG1 3.58Å; P916-T989 VanDerWaalsContact CA-O 3.26Å; P916-T989 WeakPolarHBondContact CA-O 3.36Å; P916-L997 HydrophobicContact CB-CD1 4.45Å
917	F	97.6	Very high	97	Very high	83 Å²	83	43.6 Å²	43.6	36%	0.364	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.5	-175.3	65	-85.9	0	0	0	111.7	I922 T989	F917-I922 WeakPolarHBondContact CA-O 3.4Å; F917-T989 HydrophobicContact CE1-CG2 3.95Å; F917-T989 HydrophobicContact CE2-CG2 4.37Å; F917-T989 HydrophobicContact CZ-CG2 3.66Å; F917-T989 PolarHBondContact N-O 3.25Å; F917-T989 PolarHBondContact O-N 3.44Å
918	C	95.4	Very high	97	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.027	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	168.9	173.8	-52	0	0	0	0	110.6	T920 G921 I922	C918-T920 PolarHBondContact O-N 3.37Å; C918-G921 WeakPolarHBondContact O-CA 3.48Å; C918-G921 PolarHBondContact O-N 3.34Å; C918-I922 PolarHBondContact N-O 3.24Å
919	D	94.7	Very high	97	Very high	123 Å²	123	41.8 Å²	41.8	66%	0.658	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.6	177.9	-60.6	-29.8	0	0	0	114.1	G921 Y987	D919-G921 VanDerWaalsContact C-N 3.26Å; D919-G921 PolarHBondContact O-N 2.86Å; D919-Y987 WeakPolarHBondContact OD1-CD1 3.48Å
920	T	93.8	Very high	96.9	Very high	93 Å²	93	42 Å²	42	57%	0.571	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-3.6	175.6	51.6	0	0	0	0	113.8	C918	C918-T920 PolarHBondContact O-N 3.37Å
921	G	94.4	Very high	96.8	Very high	50 Å²	50	48 Å²	48	52%	0.515	26%	0.262	S	S	.	.			trans	84.4	5.8	-177	0	0	0	0	0	114.8	C918 D919 C923	C918-G921 WeakPolarHBondContact O-CA 3.48Å; C918-G921 PolarHBondContact O-N 3.34Å; D919-G921 VanDerWaalsContact C-N 3.26Å; D919-G921 PolarHBondContact O-N 2.86Å; G921-C923 PolarHBondContact O-N 2.69Å
922	I	97	Very high	96.6	Very high	72 Å²	72	46.4 Å²	46.4	37%	0.369	25%	0.254	S	S	.	.			trans	-75.3	124	178.7	-54.8	172.3	0	0	0	109.8	T739 F917 C918 F1003	T739-I922 HydrophobicContact CG2-CG2 3.93Å; F917-I922 WeakPolarHBondContact CA-O 3.4Å; C918-I922 PolarHBondContact N-O 3.24Å; I922-F1003 HydrophobicContact CB-CE1 4.31Å; I922-F1003 HydrophobicContact CG2-CE1 3.59Å; I922-F1003 HydrophobicContact CG2-CZ 3.9Å
923	C	97.4	Very high	96.4	Very high	17 Å²	17	44.2 Å²	44.2	12%	0.115	24%	0.243	C	C	.	.			trans	-109.5	151.1	170	63.9	0	0	0	0	110.7	Q912 M915 P916 G921	Q912-C923 PolarHBondContact NE2-SG 2.98Å; M915-C923 HydrophobicContact CB-CB 4.02Å; P916-C923 WeakPolarHBondContact O-CA 3.37Å; G921-C923 PolarHBondContact O-N 2.69Å
924	P	98	Very high	96.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.239	C	C	.	.			trans	-71.3	150	-177.8	28.9	-34.3	0	0	0	112.9	A741 N757 M915 P916 I927 F1003	A741-P924 HydrophobicContact CB-CB 3.79Å; A741-P924 HydrophobicContact CB-CG 3.95Å; N757-P924 WeakPolarHBondContact CB-O 3.48Å; N757-P924 PolarHBondContact ND2-O 2.93Å; M915-P924 HydrophobicContact SD-CG 4.06Å; P916-P924 HydrophobicContact CG-CG 4.34Å; P916-P924 WeakPolarHBondContact O-CD 3.28Å; P924-I927 HydrophobicContact CB-CG1 4.28Å; P924-I927 HydrophobicContact CG-CD1 4.22Å; P924-I927 HydrophobicContact CG-CG1 3.79Å; P924-F1003 HydrophobicContact CB-CE2 4.07Å; P924-F1003 HydrophobicContact CB-CZ 4.25Å; P924-F1003 HydrophobicContact CG-CE2 4.31Å
925	D	98.1	Very high	96.1	Very high	30 Å²	30	43.8 Å²	43.8	16%	0.16	26%	0.258	C	S	.	.	S	Bend	trans	-81.7	-37.6	166	-64	-54.9	0	0	0	110.9	A738 T739 N757 S760	A738-D925 HydrophobicContact CB-CB 4.29Å; T739-D925 WeakPolarHBondContact CB-OD2 3.17Å; T739-D925 PolarHBondContact N-OD2 3.45Å; T739-D925 PolarHBondContact O-N 3.44Å; T739-D925 PolarHBondContact OG1-OD2 3.35Å; N757-D925 PolarHBondContact N-O 2.98Å; S760-D925 WeakPolarHBondContact CB-OD1 3.5Å; S760-D925 PolarHBondContact OG-OD1 3.43Å
926	I	98	Very high	95.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	130.9	180	-52.8	-170	0	0	0	108.8	A738 T739 V740 A741 L754 V755 L756 F765 Y1008	A738-I926 HydrophobicContact CB-CD1 3.89Å; A738-I926 HydrophobicContact CB-CG1 4Å; T739-I926 PolarHBondContact O-N 3.49Å; V740-I926 WeakPolarHBondContact CA-O 3.23Å; V740-I926 HydrophobicContact CG2-CB 4.27Å; A741-I926 PolarHBondContact N-O 3.2Å; L754-I926 HydrophobicContact CB-CG2 4.19Å; V755-I926 WeakPolarHBondContact O-CA 3.47Å; L756-I926 HydrophobicContact CD2-CB 4.23Å; L756-I926 HydrophobicContact CD2-CD1 3.92Å; L756-I926 HydrophobicContact CD2-CG1 3.56Å; L756-I926 HydrophobicContact CD2-CG2 4.16Å; F765-I926 HydrophobicContact CE1-CD1 4.02Å; F765-I926 HydrophobicContact CE1-CG1 4.2Å; F765-I926 HydrophobicContact CZ-CD1 3.85Å; F765-I926 HydrophobicContact CZ-CG1 4.21Å; I926-Y1008 HydrophobicContact CD1-CD1 3.7Å; I926-Y1008 HydrophobicContact CD1-CD2 4.09Å; I926-Y1008 HydrophobicContact CD1-CE1 4.04Å; I926-Y1008 HydrophobicContact CD1-CE2 4.43Å; I926-Y1008 HydrophobicContact CD1-CG 3.71Å
927	I	98.2	Very high	95.9	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	131.9	163.4	-59.7	178.1	0	0	0	108.4	A741 M743 Y745 V755 M915 P916 P924	A741-I927 HydrophobicContact CB-CG1 4.43Å; A741-I927 WeakPolarHBondContact O-CA 3.37Å; M743-I927 HydrophobicContact CG-CG2 3.67Å; M743-I927 VanDerWaalsContact O-CG2 3.28Å; M743-I927 WeakPolarHBondContact O-CG2 3.44Å; Y745-I927 HydrophobicContact CD1-CD1 3.91Å; Y745-I927 HydrophobicContact CD2-CD1 4.3Å; Y745-I927 HydrophobicContact CG-CD1 3.76Å; V755-I927 HydrophobicContact CB-CB 4.24Å; V755-I927 PolarHBondContact N-O 2.93Å; V755-I927 PolarHBondContact O-N 3.07Å; M915-I927 HydrophobicContact CE-CD1 4.24Å; M915-I927 HydrophobicContact CE-CG1 4.29Å; M915-I927 HydrophobicContact SD-CD1 3.54Å; M915-I927 VanDerWaalsContact SD-CD1 3.54Å; M915-I927 HydrophobicContact SD-CG1 4.1Å; P916-I927 HydrophobicContact CG-CD1 4.34Å; P924-I927 HydrophobicContact CB-CG1 4.28Å; P924-I927 HydrophobicContact CG-CD1 4.22Å; P924-I927 HydrophobicContact CG-CG1 3.79Å
928	M	96.7	Very high	95.8	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.064	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.3	173	-176.7	-172.4	168.4	0	0	110.7	V740 A741 V742 M743 Q902 Y933 K941	V740-M928 HydrophobicContact CG1-CB 4.23Å; A741-M928 PolarHBondContact O-N 3.25Å; V742-M928 CarbonylContact C-O 3.58Å; V742-M928 VanDerWaalsContact CA-O 3.28Å; V742-M928 WeakPolarHBondContact CA-O 3.42Å; M743-M928 PolarHBondContact N-O 3.41Å; M743-M928 VanDerWaalsContact N-O 3.07Å; M743-M928 CarbonylContact O-C 3.49Å; Q902-M928 PolarHBondContact OE1-SD 3.05Å; Q902-M928 VanDerWaalsContact OE1-SD 3.41Å; M928-Y933 HydrophobicContact CE-CD2 4.21Å; M928-Y933 HydrophobicContact CE-CE2 3.62Å; M928-Y933 HydrophobicContact SD-CE2 3.79Å; M928-Y933 PolarHBondContact SD-OH 2.95Å; M928-Y933 VanDerWaalsContact SD-OH 3.38Å; M928-K941 PolarHBondContact SD-NZ 3.43Å
929	N	96.6	Very high	95.9	Very high	10 Å²	10	49.3 Å²	49.3	5%	0.053	29%	0.289	C	S	.	.			trans	-67.3	132.4	176.1	-169.3	-26.8	0	0	0	112.9	S744 D749 H931	S744-N929 PolarHBondContact OG-OD1 3.05Å; D749-N929 HydrophobicContact CB-CB 4.2Å; D749-N929 WeakPolarHBondContact O-CB 3.41Å; D749-N929 PolarHBondContact O-ND2 3.23Å; N929-H931 PolarHBondContact O-N 3.47Å; N929-H931 PolarHBondContact OD1-CD2 3.48Å; N929-H931 PolarHBondContact OD1-N 3.31Å
930	P	96.8	Very high	96.1	Very high	49 Å²	49	43.4 Å²	43.4	32%	0.318	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.6	175.7	25	-36.2	0	0	0	115	V742 M743 G932 Y933 P934	V742-P930 HydrophobicContact CG1-CB 4.01Å; M743-P930 VanDerWaalsContact C-CD 3.48Å; P930-G932 PolarHBondContact O-N 3.27Å; P930-Y933 WeakPolarHBondContact O-CD2 3.36Å; P930-Y933 PolarHBondContact O-N 3.43Å; P930-P934 VanDerWaalsContact O-CD 3.25Å; P930-P934 WeakPolarHBondContact O-CD 3.34Å
931	H	95.8	Very high	96.3	Very high	136 Å²	136	39 Å²	39	63%	0.63	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.4	-177.6	-72.4	-66.4	0	0	0	114	N929 Y933	N929-H931 PolarHBondContact O-N 3.47Å; N929-H931 PolarHBondContact OD1-CD2 3.48Å; N929-H931 PolarHBondContact OD1-N 3.31Å; H931-Y933 VanDerWaalsContact C-N 3.3Å; H931-Y933 PolarHBondContact O-N 3.1Å
932	G	91.8	Very high	96.4	Very high	11 Å²	11	39.3 Å²	39.3	11%	0.113	22%	0.22	C	C	.	.	H	α-helix	trans	-70.1	-18.9	175.8	0	0	0	0	0	114.8	P930 R936	P930-G932 PolarHBondContact O-N 3.27Å; G932-R936 WeakPolarHBondContact O-CB 3.45Å; G932-R936 WeakPolarHBondContact O-CD 3.45Å; G932-R936 WeakPolarHBondContact O-CG 3.46Å
933	Y	94.9	Very high	96.4	Very high	23 Å²	23	36.6 Å²	36.6	9%	0.09	21%	0.206	C	C	.	.	H	α-helix	trans	-83.3	-48.2	-173.8	-63.7	-96	0	0	0	114	V742 M928 P930 H931 R936 M937 K941 L942	V742-Y933 HydrophobicContact CG1-CD2 4.32Å; V742-Y933 HydrophobicContact CG1-CE2 3.61Å; V742-Y933 HydrophobicContact CG2-CE2 4.36Å; V742-Y933 WeakPolarHBondContact CG2-OH 3.4Å; M928-Y933 HydrophobicContact CE-CD2 4.21Å; M928-Y933 HydrophobicContact CE-CE2 3.62Å; M928-Y933 HydrophobicContact SD-CE2 3.79Å; M928-Y933 PolarHBondContact SD-OH 2.95Å; M928-Y933 VanDerWaalsContact SD-OH 3.38Å; P930-Y933 WeakPolarHBondContact O-CD2 3.36Å; P930-Y933 PolarHBondContact O-N 3.43Å; H931-Y933 VanDerWaalsContact C-N 3.3Å; H931-Y933 PolarHBondContact O-N 3.1Å; Y933-R936 PolarHBondContact O-N 3.39Å; Y933-M937 WeakPolarHBondContact O-CA 3.46Å; Y933-M937 PolarHBondContact O-N 2.91Å; Y933-K941 HydrophobicContact CE1-CB 4.15Å; Y933-K941 HydrophobicContact CE1-CD 3.93Å; Y933-K941 HydrophobicContact CE1-CG 4.24Å; Y933-L942 HydrophobicContact CD1-CD1 4.44Å; Y933-L942 HydrophobicContact CD1-CD2 3.84Å; Y933-L942 HydrophobicContact CD1-CG 4.02Å; Y933-L942 HydrophobicContact CE1-CD2 3.53Å; Y933-L942 HydrophobicContact CE1-CG 4Å
934	P	95.8	Very high	96.5	Very high	99 Å²	99	36 Å²	36	64%	0.643	20%	0.201	S	C	*	.	H	α-helix	trans	-61.4	-49.9	-173.4	-26.2	35.7	0	0	0	113.7	P930 R936 M937	P930-P934 VanDerWaalsContact O-CD 3.25Å; P930-P934 WeakPolarHBondContact O-CD 3.34Å; P934-R936 VanDerWaalsContact C-N 3.28Å; P934-R936 PolarHBondContact O-N 3.44Å; P934-M937 WeakPolarHBondContact O-CG 3.45Å
935	S	92.8	Very high	96.5	Very high	100 Å²	100	36 Å²	36	70%	0.699	20%	0.202	S	C	*	.	H	α-helix	trans	-66.7	-29.9	-179.2	173.6	0	0	0	0	112.8
936	R	93.5	Very high	96.4	Very high	39 Å²	39	35 Å²	35	15%	0.147	20%	0.196	C	C	.	.	H	α-helix	trans	-97.3	-16.6	-172.6	-56	-169.3	166.3	178.5	-2.5	113.7	R681 D752 G932 Y933 P934 T938	R681-R936 VanDerWaalsContact NH2-CG 3.3Å; D752-R936 VanDerWaalsContact CG-NH1 3.31Å; D752-R936 IonicContact OD1-CZ 2.81Å; D752-R936 IonicContact OD1-NH1 2.69Å; D752-R936 PolarHBondContact OD1-NH1 2.98Å; D752-R936 IonicContact OD1-NH2 2.98Å; D752-R936 PolarHBondContact OD1-NH2 3.04Å; D752-R936 IonicContact OD2-CZ 2.68Å; D752-R936 IonicContact OD2-NH1 2.81Å; D752-R936 PolarHBondContact OD2-NH1 2.84Å; D752-R936 IonicContact OD2-NH2 2.64Å; D752-R936 PolarHBondContact OD2-NH2 2.98Å; G932-R936 WeakPolarHBondContact O-CB 3.45Å; G932-R936 WeakPolarHBondContact O-CD 3.45Å; G932-R936 WeakPolarHBondContact O-CG 3.46Å; Y933-R936 PolarHBondContact O-N 3.39Å; P934-R936 VanDerWaalsContact C-N 3.28Å; P934-R936 PolarHBondContact O-N 3.44Å; R936-T938 HydrophobicContact CB-CG2 4.13Å; R936-T938 PolarHBondContact O-N 2.82Å
937	M	96.8	Very high	96.4	Very high	98 Å²	98	35 Å²	35	48%	0.483	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	44.6	-179.4	-58.1	-179.9	-74.5	0	0	112.4	Q678 Y933 P934 V939	Q678-M937 HydrophobicContact CG-CE 4.13Å; Y933-M937 WeakPolarHBondContact O-CA 3.46Å; Y933-M937 PolarHBondContact O-N 2.91Å; P934-M937 WeakPolarHBondContact O-CG 3.45Å; M937-V939 VanDerWaalsContact C-N 3.31Å; M937-V939 PolarHBondContact O-N 3.39Å
938	T	96.3	Very high	96.3	Very high	1 Å²	1	35 Å²	35	1%	0.006	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-90.9	63.3	177.3	52.7	0	0	0	0	110.6	R681 H900 Q902 R936 G940 K941	R681-T938 HydrophobicContact CB-CG2 4.04Å; R681-T938 HydrophobicContact CG-CG2 3.61Å; H900-T938 HydrophobicContact CB-CG2 4.27Å; Q902-T938 HydrophobicContact CG-CG2 4.48Å; Q902-T938 PolarHBondContact NE2-OG1 3.41Å; R936-T938 HydrophobicContact CB-CG2 4.13Å; R936-T938 PolarHBondContact O-N 2.82Å; T938-G940 PolarHBondContact O-N 3.3Å; T938-K941 PolarHBondContact O-N 3.36Å
939	V	97.6	Very high	96.3	Very high	71 Å²	71	34.9 Å²	34.9	43%	0.43	20%	0.195	S	C	.	.	H	α-helix	trans	-66.8	-29.5	-178.7	-178.5	0	0	0	0	111	H676 M937 K941 L942 I943	H676-V939 HydrophobicContact CB-CB 4.37Å; H676-V939 PolarHBondContact O-N 2.93Å; M937-V939 VanDerWaalsContact C-N 3.31Å; M937-V939 PolarHBondContact O-N 3.39Å; V939-K941 PolarHBondContact O-N 2.87Å; V939-K941 VanDerWaalsContact O-N 3.07Å; V939-L942 WeakPolarHBondContact O-CB 3.22Å; V939-L942 PolarHBondContact O-N 2.88Å; V939-I943 HydrophobicContact CG1-CD1 4.38Å; V939-I943 PolarHBondContact O-N 3.27Å
940	G	97.3	Very high	96.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-54.8	-29.1	175.6	0	0	0	0	0	113.9	H676 N677 H900 T938 I943 E944	H676-G940 PolarHBondContact O-N 3.45Å; N677-G940 PolarHBondContact OD1-N 2.9Å; H900-G940 PolarHBondContact CE1-O 3.43Å; T938-G940 PolarHBondContact O-N 3.3Å; G940-I943 PolarHBondContact O-N 3.42Å; G940-E944 WeakPolarHBondContact O-CB 3.22Å; G940-E944 PolarHBondContact O-N 3.5Å
941	K	97.8	Very high	96.3	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-72.6	-34	177	-171.3	178.6	-175.7	-167.6	0	112.7	H900 M928 Y933 T938 V939 E944 L945 Y1008	H900-K941 HydrophobicContact CB-CB 4.32Å; H900-K941 PolarHBondContact CE1-N 2.89Å; H900-K941 VanDerWaalsContact CE1-N 3.28Å; M928-K941 PolarHBondContact SD-NZ 3.43Å; Y933-K941 HydrophobicContact CE1-CB 4.15Å; Y933-K941 HydrophobicContact CE1-CD 3.93Å; Y933-K941 HydrophobicContact CE1-CG 4.24Å; T938-K941 PolarHBondContact O-N 3.36Å; V939-K941 PolarHBondContact O-N 2.87Å; V939-K941 VanDerWaalsContact O-N 3.07Å; K941-E944 PolarHBondContact O-N 3.28Å; K941-L945 PolarHBondContact O-N 2.93Å; K941-L945 VanDerWaalsContact O-N 3.17Å; K941-Y1008 PolarHBondContact NZ-OH 2.96Å
942	L	97.1	Very high	96.4	Very high	55 Å²	55	29.1 Å²	29.1	29%	0.288	17%	0.169	S	C	.	.	H	α-helix	trans	-65.8	-46	174.4	-59.1	174.9	0	0	0	109	Y933 V939 E944 L945 L946 Y1002	Y933-L942 HydrophobicContact CD1-CD1 4.44Å; Y933-L942 HydrophobicContact CD1-CD2 3.84Å; Y933-L942 HydrophobicContact CD1-CG 4.02Å; Y933-L942 HydrophobicContact CE1-CD2 3.53Å; Y933-L942 HydrophobicContact CE1-CG 4Å; V939-L942 WeakPolarHBondContact O-CB 3.22Å; V939-L942 PolarHBondContact O-N 2.88Å; L942-E944 VanDerWaalsContact C-N 3.33Å; L942-E944 PolarHBondContact O-N 3.28Å; L942-L945 PolarHBondContact O-N 3.1Å; L942-L946 PolarHBondContact O-N 2.89Å; L942-L946 VanDerWaalsContact O-N 3.12Å; L942-Y1002 HydrophobicContact CB-CE1 4.28Å; L942-Y1002 HydrophobicContact CD2-CD1 4.13Å; L942-Y1002 HydrophobicContact CD2-CE1 3.81Å; L942-Y1002 PolarHBondContact O-OH 3.48Å
943	I	97.7	Very high	96.5	Very high	16 Å²	16	31.1 Å²	31.1	8%	0.082	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-38.6	176.5	-54.3	172.2	0	0	0	111.5	Y673 H676 V939 G940 L945 L946 A947 V968	Y673-I943 HydrophobicContact CD1-CG2 4.36Å; Y673-I943 HydrophobicContact CD2-CB 4.15Å; Y673-I943 HydrophobicContact CD2-CG2 3.81Å; Y673-I943 HydrophobicContact CE1-CG2 4.11Å; Y673-I943 HydrophobicContact CE2-CB 4.31Å; Y673-I943 HydrophobicContact CE2-CG2 3.53Å; Y673-I943 HydrophobicContact CG-CG2 4.21Å; H676-I943 HydrophobicContact CB-CD1 4.36Å; V939-I943 HydrophobicContact CG1-CD1 4.38Å; V939-I943 PolarHBondContact O-N 3.27Å; G940-I943 PolarHBondContact O-N 3.42Å; I943-L945 VanDerWaalsContact C-N 3.32Å; I943-L945 PolarHBondContact O-N 3.13Å; I943-L946 PolarHBondContact O-N 3.22Å; I943-A947 WeakPolarHBondContact O-CB 3.2Å; I943-A947 PolarHBondContact O-N 3.05Å; I943-V968 HydrophobicContact CD1-CG2 4.35Å; I943-V968 HydrophobicContact CG1-CG2 4.26Å; I943-V968 HydrophobicContact CG2-CG2 4.18Å
944	E	98.1	Very high	96.5	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.014	18%	0.18	C	C	.	.	H	α-helix	trans	-56.1	-45.8	174.2	-177.1	-172.2	-165.2	0	0	111.7	P672 V719 R899 H900 G940 K941 L942 G948	P672-E944 HydrophobicContact CG-CB 4.2Å; P672-E944 HydrophobicContact CG-CG 3.93Å; V719-E944 HydrophobicContact CB-CG 4.15Å; V719-E944 HydrophobicContact CG2-CG 4.11Å; V719-E944 WeakPolarHBondContact CG2-O 3.44Å; R899-E944 IonicContact CZ-OE1 3.39Å; R899-E944 IonicContact NE-OE1 2.62Å; R899-E944 PolarHBondContact NE-OE1 3.05Å; R899-E944 IonicContact NH2-OE1 3.15Å; R899-E944 PolarHBondContact NH2-OE1 3.41Å; H900-E944 IonicContact CD2-OE2 2.94Å; H900-E944 PolarHBondContact CD2-OE2 3.41Å; H900-E944 IonicContact NE2-OE2 3.03Å; H900-E944 PolarHBondContact NE2-OE2 3.39Å; H900-E944 VanDerWaalsContact NE2-OE2 3.13Å; G940-E944 WeakPolarHBondContact O-CB 3.22Å; G940-E944 PolarHBondContact O-N 3.5Å; K941-E944 PolarHBondContact O-N 3.28Å; L942-E944 VanDerWaalsContact C-N 3.33Å; L942-E944 PolarHBondContact O-N 3.28Å; E944-G948 WeakPolarHBondContact O-CA 3.1Å; E944-G948 PolarHBondContact O-N 3.04Å
945	L	97.9	Very high	96.5	Very high	2 Å²	2	30 Å²	30	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-64.4	-43.9	179.4	-175.5	156.4	0	0	0	111.3	V742 K941 L942 I943 G948 K949 Y1002 V1006	V742-L945 HydrophobicContact CG2-CD1 4.47Å; K941-L945 PolarHBondContact O-N 2.93Å; K941-L945 VanDerWaalsContact O-N 3.17Å; L942-L945 PolarHBondContact O-N 3.1Å; I943-L945 VanDerWaalsContact C-N 3.32Å; I943-L945 PolarHBondContact O-N 3.13Å; L945-G948 PolarHBondContact O-N 3.09Å; L945-K949 WeakPolarHBondContact O-CB 3.2Å; L945-K949 PolarHBondContact O-N 3.04Å; L945-Y1002 HydrophobicContact CB-CE1 3.87Å; L945-Y1002 HydrophobicContact CD1-CD1 3.67Å; L945-Y1002 HydrophobicContact CD1-CE1 3.7Å; L945-Y1002 HydrophobicContact CD2-CD1 3.9Å; L945-Y1002 HydrophobicContact CD2-CE1 3.49Å; L945-Y1002 VanDerWaalsContact CD2-CE1 3.49Å; L945-Y1002 HydrophobicContact CD2-CE2 4.48Å; L945-Y1002 HydrophobicContact CG-CD1 4.28Å; L945-Y1002 HydrophobicContact CG-CE1 3.87Å; L945-V1006 HydrophobicContact CB-CG2 3.85Å; L945-V1006 HydrophobicContact CD1-CG2 3.86Å; L945-V1006 HydrophobicContact CG-CG2 4.05Å
946	L	97.3	Very high	96.5	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-63.3	-51.6	179.5	-163.2	73	0	0	0	111.9	L942 I943 G948 K949 A950 V968 V971 L975	L942-L946 PolarHBondContact O-N 2.89Å; L942-L946 VanDerWaalsContact O-N 3.12Å; I943-L946 PolarHBondContact O-N 3.22Å; L946-G948 VanDerWaalsContact C-N 3.3Å; L946-G948 PolarHBondContact O-N 2.89Å; L946-K949 PolarHBondContact O-N 3.33Å; L946-A950 PolarHBondContact O-N 2.83Å; L946-V968 HydrophobicContact CD2-CG1 3.94Å; L946-V971 HydrophobicContact CD2-CG2 3.63Å; L946-V971 HydrophobicContact CG-CG2 3.99Å; L946-L975 HydrophobicContact CD1-CD1 3.3Å; L946-L975 HydrophobicContact CG-CD1 3.92Å
947	A	97.1	Very high	96.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-35.1	178.1	0	0	0	0	0	111.6	V719 I943 G951 H958 V971	V719-A947 HydrophobicContact CG2-CB 3.89Å; I943-A947 WeakPolarHBondContact O-CB 3.2Å; I943-A947 PolarHBondContact O-N 3.05Å; A947-G951 PolarHBondContact O-N 3.16Å; A947-H958 HydrophobicContact CB-CB 4.08Å; A947-H958 PolarHBondContact O-CD2 3.41Å; A947-V971 HydrophobicContact CB-CG1 4.21Å
948	G	96.8	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-44	173.9	0	0	0	0	0	112	E944 L945 L946 G951 V952 P1005	E944-G948 WeakPolarHBondContact O-CA 3.1Å; E944-G948 PolarHBondContact O-N 3.04Å; L945-G948 PolarHBondContact O-N 3.09Å; L946-G948 VanDerWaalsContact C-N 3.3Å; L946-G948 PolarHBondContact O-N 2.89Å; G948-G951 PolarHBondContact O-N 3.24Å; G948-V952 PolarHBondContact O-N 3.05Å; G948-V952 VanDerWaalsContact O-N 3.1Å; G948-P1005 WeakPolarHBondContact O-CG 3.4Å
949	K	97.6	Very high	96.6	Very high	11 Å²	11	35 Å²	35	5%	0.048	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-48.7	178.5	-168.2	-178.7	-166.4	161.9	0	111.9	L945 L946 G951 V952 L953 L975 D986 F1003	L945-K949 WeakPolarHBondContact O-CB 3.2Å; L945-K949 PolarHBondContact O-N 3.04Å; L946-K949 PolarHBondContact O-N 3.33Å; K949-G951 VanDerWaalsContact C-N 3.28Å; K949-G951 PolarHBondContact O-N 3.38Å; K949-V952 WeakPolarHBondContact O-CG2 3.42Å; K949-V952 PolarHBondContact O-N 3.22Å; K949-L953 HydrophobicContact CG-CD1 4.32Å; K949-L953 WeakPolarHBondContact O-CG 3.19Å; K949-L953 PolarHBondContact O-N 2.9Å; K949-L975 HydrophobicContact CB-CD2 4.17Å; K949-L975 HydrophobicContact CD-CD2 3.92Å; K949-L975 HydrophobicContact CG-CD2 3.84Å; K949-D986 IonicContact NZ-OD1 2.66Å; K949-D986 PolarHBondContact NZ-OD1 3.09Å; K949-D986 IonicContact NZ-OD2 3.79Å; K949-D986 PolarHBondContact NZ-OD2 3.31Å; K949-F1003 WeakPolarHBondContact CD-O 3.38Å; K949-F1003 PolarHBondContact NZ-O 3.38Å
950	A	96.9	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.7	-42.9	175.7	0	0	0	0	0	111.2	L946 V952 L953 D954 V971 D974 L975	L946-A950 PolarHBondContact O-N 2.83Å; A950-V952 PolarHBondContact O-N 2.93Å; A950-L953 PolarHBondContact O-N 3.5Å; A950-D954 WeakPolarHBondContact O-CB 3.22Å; A950-D954 PolarHBondContact O-N 2.88Å; A950-V971 HydrophobicContact CB-CB 4.06Å; A950-V971 HydrophobicContact CB-CG1 4.49Å; A950-D974 HydrophobicContact CB-CB 4.22Å; A950-L975 HydrophobicContact CB-CD2 4.15Å; A950-L975 HydrophobicContact CB-CG 4.15Å
951	G	95.7	Very high	96.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-43.4	-179.4	0	0	0	0	0	114.3	A947 G948 K949 L953 G955 R956 H958	A947-G951 PolarHBondContact O-N 3.16Å; G948-G951 PolarHBondContact O-N 3.24Å; K949-G951 VanDerWaalsContact C-N 3.28Å; K949-G951 PolarHBondContact O-N 3.38Å; G951-L953 VanDerWaalsContact C-N 3.3Å; G951-L953 PolarHBondContact O-N 3.24Å; G951-G955 CarbonylContact O-C 3.53Å; G951-G955 WeakPolarHBondContact O-CA 3.48Å; G951-G955 PolarHBondContact O-N 3.34Å; G951-R956 CarbonylContact C-O 3.56Å; G951-R956 VanDerWaalsContact C-O 3.24Å; G951-R956 WeakPolarHBondContact CA-O 3.45Å; G951-R956 PolarHBondContact O-N 2.82Å; G951-R956 VanDerWaalsContact O-O 3.07Å; G951-H958 WeakPolarHBondContact CA-CD2 3.42Å; G951-H958 PolarHBondContact N-CD2 2.82Å; G951-H958 PolarHBondContact N-NE2 2.95Å
952	V	96.8	Very high	96.3	Very high	73 Å²	73	32.5 Å²	32.5	44%	0.442	17%	0.171	S	C	.	.	H	α-helix	trans	-67.7	-31.3	178	-66.8	0	0	0	0	112.9	M718 G948 K949 A950 P1005	M718-V952 HydrophobicContact CE-CG1 3.34Å; M718-V952 HydrophobicContact CG-CG1 3.95Å; M718-V952 HydrophobicContact SD-CG1 3.58Å; M718-V952 VanDerWaalsContact SD-CG1 3.58Å; G948-V952 PolarHBondContact O-N 3.05Å; G948-V952 VanDerWaalsContact O-N 3.1Å; K949-V952 WeakPolarHBondContact O-CG2 3.42Å; K949-V952 PolarHBondContact O-N 3.22Å; A950-V952 PolarHBondContact O-N 2.93Å; V952-P1005 HydrophobicContact CG1-CG 4.37Å; V952-P1005 HydrophobicContact CG2-CG 4.34Å
953	L	95.6	Very high	96.2	Very high	53 Å²	53	34.3 Å²	34.3	28%	0.277	18%	0.177	S	C	.	.	H	α-helix	trans	-75.6	-39.8	178.8	-66.6	170.3	0	0	0	111.8	K949 A950 G951 L975 Y978 Y980	K949-L953 HydrophobicContact CG-CD1 4.32Å; K949-L953 WeakPolarHBondContact O-CG 3.19Å; K949-L953 PolarHBondContact O-N 2.9Å; A950-L953 PolarHBondContact O-N 3.5Å; G951-L953 VanDerWaalsContact C-N 3.3Å; G951-L953 PolarHBondContact O-N 3.24Å; L953-L975 HydrophobicContact CD1-CD2 3.87Å; L953-Y978 HydrophobicContact CB-CD2 3.8Å; L953-Y978 HydrophobicContact CB-CE2 4.26Å; L953-Y978 HydrophobicContact CB-CG 4.04Å; L953-Y980 HydrophobicContact CD1-CD2 3.46Å; L953-Y980 VanDerWaalsContact CD1-CD2 3.46Å; L953-Y980 HydrophobicContact CD1-CE2 3.56Å; L953-Y980 HydrophobicContact CD1-CG 4.3Å; L953-Y980 HydrophobicContact CD2-CD2 4.49Å; L953-Y980 HydrophobicContact CD2-CE2 3.78Å; L953-Y980 HydrophobicContact CG-CE2 4.34Å
954	D	95	Very high	95.9	Very high	30 Å²	30	34.6 Å²	34.6	16%	0.16	18%	0.184	C	C	.	.	H	α-helix	trans	-87.3	-5.3	-179.7	-157.8	37.5	0	0	0	113.8	A950 R956 Y978	A950-D954 WeakPolarHBondContact O-CB 3.22Å; A950-D954 PolarHBondContact O-N 2.88Å; D954-R956 VanDerWaalsContact C-N 3.32Å; D954-R956 HydrophobicContact CB-CG 4.39Å; D954-R956 PolarHBondContact O-N 2.87Å; D954-R956 WeakPolarHBondContact OD2-CD 3.31Å; D954-R956 IonicContact OD2-CZ 2.78Å; D954-R956 IonicContact OD2-NE 2.97Å; D954-R956 PolarHBondContact OD2-NE 3.33Å; D954-R956 IonicContact OD2-NH1 3.88Å; D954-R956 PolarHBondContact OD2-NH1 3.1Å; D954-R956 IonicContact OD2-NH2 3.11Å; D954-Y978 HydrophobicContact CB-CE2 3.84Å; D954-Y978 PolarHBondContact OD1-OH 3.49Å
955	G	94.6	Very high	95.6	Very high	69 Å²	69	35.8 Å²	35.8	71%	0.711	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	24.8	-175.3	0	0	0	0	0	114.1	G951	G951-G955 CarbonylContact O-C 3.53Å; G951-G955 WeakPolarHBondContact O-CA 3.48Å; G951-G955 PolarHBondContact O-N 3.34Å
956	R	93.7	Very high	95.4	Very high	140 Å²	140	36.8 Å²	36.8	53%	0.528	20%	0.204	S	C	.	.			trans	-114.3	144.7	-177.3	-64.7	-174.9	-178.9	153.9	-5.1	112.2	G951 D954	G951-R956 CarbonylContact C-O 3.56Å; G951-R956 VanDerWaalsContact C-O 3.24Å; G951-R956 WeakPolarHBondContact CA-O 3.45Å; G951-R956 PolarHBondContact O-N 2.82Å; G951-R956 VanDerWaalsContact O-O 3.07Å; D954-R956 VanDerWaalsContact C-N 3.32Å; D954-R956 HydrophobicContact CB-CG 4.39Å; D954-R956 PolarHBondContact O-N 2.87Å; D954-R956 WeakPolarHBondContact OD2-CD 3.31Å; D954-R956 IonicContact OD2-CZ 2.78Å; D954-R956 IonicContact OD2-NE 2.97Å; D954-R956 PolarHBondContact OD2-NE 3.33Å; D954-R956 IonicContact OD2-NH1 3.88Å; D954-R956 PolarHBondContact OD2-NH1 3.1Å; D954-R956 IonicContact OD2-NH2 3.11Å
957	F	95.8	Very high	95.3	Very high	99 Å²	99	42.1 Å²	42.1	43%	0.434	23%	0.227	S	C	.	.			trans	-91.9	112.2	166.1	-65.9	-71.2	0	0	0	109.7	M718	M718-F957 HydrophobicContact CE-CE1 4.14Å; M718-F957 HydrophobicContact SD-CD1 3.72Å; M718-F957 HydrophobicContact SD-CE1 3.72Å
958	H	95.9	Very high	95.3	Very high	20 Å²	20	45.3 Å²	45.3	9%	0.093	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	155.5	178.2	-74.3	-80.6	0	0	0	112.6	V719 K720 A947 G951	V719-H958 WeakPolarHBondContact CA-O 3.35Å; K720-H958 PolarHBondContact N-O 3.24Å; A947-H958 HydrophobicContact CB-CB 4.08Å; A947-H958 PolarHBondContact O-CD2 3.41Å; G951-H958 WeakPolarHBondContact CA-CD2 3.42Å; G951-H958 PolarHBondContact N-CD2 2.82Å; G951-H958 PolarHBondContact N-NE2 2.95Å
959	Y	95.8	Very high	95.2	Very high	85 Å²	85	53 Å²	53	33%	0.333	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.3	178.2	-68.6	-82.4	0	0	0	112	Y673 K720 K722 E725 G965 S966	Y673-Y959 PolarHBondContact OH-O 2.76Å; K720-Y959 HydrophobicContact CD-CE1 4.35Å; K720-Y959 HydrophobicContact CG-CD1 4.2Å; K720-Y959 HydrophobicContact CG-CE1 4.12Å; K720-Y959 CarbonylContact O-C 3.59Å; K720-Y959 VanDerWaalsContact O-CA 3.22Å; K720-Y959 WeakPolarHBondContact O-CA 3.48Å; K722-Y959 HydrophobicContact CG-CD1 4.23Å; K722-Y959 HydrophobicContact CG-CE1 4.32Å; E725-Y959 WeakPolarHBondContact OE1-CE1 3.08Å; E725-Y959 PolarHBondContact OE1-OH 3.17Å; Y959-G965 CarbonylContact O-C 3.52Å; Y959-G965 WeakPolarHBondContact O-CA 3.44Å; Y959-S966 PolarHBondContact O-N 3.04Å; Y959-S966 PolarHBondContact O-OG 3.16Å
960	G	95.8	Very high	95	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.298	C	S	.	.			trans	-108.3	39.2	170.7	0	0	0	0	0	113.1	P672 Y673 K720	P672-G960 CarbonylContact C-O 3.54Å; P672-G960 WeakPolarHBondContact CA-O 3.5Å; Y673-G960 PolarHBondContact N-O 2.73Å; K720-G960 PolarHBondContact O-N 2.92Å
961	T	96.2	Very high	94.9	Very high	9 Å²	9	56.4 Å²	56.4	6%	0.055	30%	0.299	C	S	.	.			trans	-63.4	149.4	-176.4	-53.9	0	0	0	0	112.1	F661 K722 G964	F661-T961 HydrophobicContact CB-CG2 3.97Å; F661-T961 HydrophobicContact CD1-CG2 3.99Å; F661-T961 HydrophobicContact CD2-CG2 4.19Å; F661-T961 HydrophobicContact CG-CG2 3.8Å; K722-T961 HydrophobicContact CB-CG2 4.32Å; K722-T961 PolarHBondContact N-OG1 3.06Å; T961-G964 CarbonylContact O-C 3.45Å; T961-G964 PolarHBondContact O-N 3.25Å
962	A	96	Very high	94.9	Very high	9 Å²	9	57.4 Å²	57.4	7%	0.074	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	141.3	177.2	0	0	0	0	0	111.8	F661 L664 P674 G964	F661-A962 HydrophobicContact CB-CB 3.91Å; L664-A962 HydrophobicContact CD1-CB 3.76Å; P674-A962 HydrophobicContact CG-CB 3.53Å; A962-G964 PolarHBondContact O-N 3.3Å
963	F	95.1	Very high	94.9	Very high	93 Å²	93	59.6 Å²	59.6	41%	0.408	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	11	-178.5	-44	-62.5	0	0	0	115.6	P660 H675	P660-F963 HydrophobicContact CB-CD2 4.14Å; H675-F963 HydrophobicContact CB-CD1 4.17Å; H675-F963 HydrophobicContact CB-CE1 4.32Å; H675-F963 PolarHBondContact ND1-N 3.45Å
964	G	90.9	Very high	94.9	Very high	22 Å²	22	57.7 Å²	57.7	23%	0.227	30%	0.301	C	S	.	.			trans	-153.7	-136.4	-178.7	0	0	0	0	0	111.4	T961 A962	T961-G964 CarbonylContact O-C 3.45Å; T961-G964 PolarHBondContact O-N 3.25Å; A962-G964 PolarHBondContact O-N 3.3Å
965	G	91.5	Very high	94.9	Very high	28 Å²	28	56.3 Å²	56.3	29%	0.289	29%	0.293	S	S	.	.	S	Bend	trans	86.6	175.2	-178.2	0	0	0	0	0	114.1	Y959	Y959-G965 CarbonylContact O-C 3.52Å; Y959-G965 WeakPolarHBondContact O-CA 3.44Å
966	S	93.8	Very high	95	Very high	24 Å²	24	57.8 Å²	57.8	17%	0.168	28%	0.284	C	S	.	.	S	Bend	trans	-63.5	136.5	175.9	43.3	0	0	0	0	110.3	Y673 Y959	Y673-S966 PolarHBondContact OH-O 3.31Å; Y673-S966 PolarHBondContact OH-OG 2.95Å; Y959-S966 PolarHBondContact O-N 3.04Å; Y959-S966 PolarHBondContact O-OG 3.16Å
967	K	95.5	Very high	95.1	Very high	120 Å²	120	58.1 Å²	58.1	52%	0.522	29%	0.285	S	S	.	.			trans	-83.5	155	-176.6	-56.1	-56.3	-178	-177.4	0	110.3	K969 D970 V971	K967-K969 VanDerWaalsContact C-N 3.27Å; K967-K969 PolarHBondContact O-N 2.86Å; K967-D970 PolarHBondContact O-N 3.31Å; K967-V971 PolarHBondContact O-N 3.18Å
968	V	96.2	Very high	95.1	Very high	66 Å²	66	58.1 Å²	58.1	40%	0.4	28%	0.283	S	S	.	.	H	α-helix	trans	-62.2	-36.8	-179.6	177	0	0	0	0	111.3	I943 L946 V971 C972	I943-V968 HydrophobicContact CD1-CG2 4.35Å; I943-V968 HydrophobicContact CG1-CG2 4.26Å; I943-V968 HydrophobicContact CG2-CG2 4.18Å; L946-V968 HydrophobicContact CD2-CG1 3.94Å; V968-V971 WeakPolarHBondContact O-CG2 3.32Å; V968-V971 PolarHBondContact O-N 3.03Å; V968-C972 WeakPolarHBondContact O-CB 3.13Å; V968-C972 PolarHBondContact O-N 2.95Å; V968-C972 PolarHBondContact O-SG 3.05Å
969	K	95.5	Very high	95.1	Very high	161 Å²	161	60.6 Å²	60.6	70%	0.7	31%	0.314	S	S	*	.	H	α-helix	trans	-59.4	-51.3	-179.9	-65	-174.1	177.8	-175.3	0	111.8	K967 V971 C972 E973	K967-K969 VanDerWaalsContact C-N 3.27Å; K967-K969 PolarHBondContact O-N 2.86Å; K969-V971 PolarHBondContact O-N 3.31Å; K969-C972 WeakPolarHBondContact O-CB 3.21Å; K969-C972 PolarHBondContact O-N 3.42Å; K969-E973 PolarHBondContact O-N 2.84Å; K969-E973 VanDerWaalsContact O-N 3.08Å
970	D	93.4	Very high	95.1	Very high	83 Å²	83	59.2 Å²	59.2	44%	0.444	31%	0.308	S	S	.	.	H	α-helix	trans	-60.2	-46.1	-178.9	-40.1	-20.4	0	0	0	111.3	K967 C972 E973 D974	K967-D970 PolarHBondContact O-N 3.31Å; D970-C972 VanDerWaalsContact C-N 3.32Å; D970-C972 PolarHBondContact O-N 3.33Å; D970-E973 PolarHBondContact O-N 2.88Å; D970-D974 PolarHBondContact O-N 3.49Å
971	V	94.6	Very high	95.1	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-69	-30.1	179.4	-58.5	0	0	0	0	112.7	L946 A947 A950 K967 V968 K969 L975	L946-V971 HydrophobicContact CD2-CG2 3.63Å; L946-V971 HydrophobicContact CG-CG2 3.99Å; A947-V971 HydrophobicContact CB-CG1 4.21Å; A950-V971 HydrophobicContact CB-CB 4.06Å; A950-V971 HydrophobicContact CB-CG1 4.49Å; K967-V971 PolarHBondContact O-N 3.18Å; V968-V971 WeakPolarHBondContact O-CG2 3.32Å; V968-V971 PolarHBondContact O-N 3.03Å; K969-V971 PolarHBondContact O-N 3.31Å; V971-L975 WeakPolarHBondContact O-CG 3.3Å; V971-L975 PolarHBondContact O-N 3.39Å; V971-L975 VanDerWaalsContact O-N 3.09Å
972	C	95.8	Very high	95.1	Very high	21 Å²	21	67 Å²	67	14%	0.142	34%	0.342	C	S	.	.	H	α-helix	trans	-65.2	-42.8	173.2	-73.4	0	0	0	0	111.2	V968 K969 D970 D974 L975 I976 Y982	V968-C972 WeakPolarHBondContact O-CB 3.13Å; V968-C972 PolarHBondContact O-N 2.95Å; V968-C972 PolarHBondContact O-SG 3.05Å; K969-C972 WeakPolarHBondContact O-CB 3.21Å; K969-C972 PolarHBondContact O-N 3.42Å; D970-C972 VanDerWaalsContact C-N 3.32Å; D970-C972 PolarHBondContact O-N 3.33Å; C972-D974 VanDerWaalsContact C-N 3.34Å; C972-L975 PolarHBondContact O-N 2.93Å; C972-I976 WeakPolarHBondContact O-CG1 3.35Å; C972-I976 PolarHBondContact O-N 3.45Å; C972-Y982 PolarHBondContact SG-O 3.1Å
973	E	96	Very high	95	Very high	119 Å²	119	70 Å²	70	56%	0.556	35%	0.354	S	S	*	.	H	α-helix	trans	-64.3	-39.6	177	-71.1	178.2	-167.3	0	0	111.8	K969 D970 L975 I976 R977	K969-E973 PolarHBondContact O-N 2.84Å; K969-E973 VanDerWaalsContact O-N 3.08Å; D970-E973 PolarHBondContact O-N 2.88Å; E973-L975 VanDerWaalsContact C-N 3.35Å; E973-L975 PolarHBondContact O-N 2.79Å; E973-I976 PolarHBondContact O-N 2.94Å; E973-R977 PolarHBondContact O-N 2.87Å
974	D	95.3	Very high	94.9	Very high	13 Å²	13	65.6 Å²	65.6	7%	0.07	34%	0.335	C	S	.	.	H	α-helix	trans	-62.3	-41	174.5	-69.9	-28.6	0	0	0	111.4	A950 D970 C972 R977 Y978	A950-D974 HydrophobicContact CB-CB 4.22Å; D970-D974 PolarHBondContact O-N 3.49Å; C972-D974 VanDerWaalsContact C-N 3.34Å; D974-R977 WeakPolarHBondContact O-CB 3.44Å; D974-R977 PolarHBondContact O-N 3.49Å; D974-R977 IonicContact OD1-CZ 2.8Å; D974-R977 IonicContact OD1-NH1 2.87Å; D974-R977 PolarHBondContact OD1-NH1 3.21Å; D974-R977 IonicContact OD1-NH2 3.24Å; D974-R977 PolarHBondContact OD1-NH2 3.4Å; D974-Y978 WeakPolarHBondContact O-CD2 3.4Å; D974-Y978 PolarHBondContact O-N 3.41Å
975	L	95.8	Very high	95.2	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-42.8	175.7	-71.8	175.1	0	0	0	113	L946 K949 A950 L953 V971 C972 E973 R977 Y978 G979 Y980	L946-L975 HydrophobicContact CD1-CD1 3.3Å; L946-L975 HydrophobicContact CG-CD1 3.92Å; K949-L975 HydrophobicContact CB-CD2 4.17Å; K949-L975 HydrophobicContact CD-CD2 3.92Å; K949-L975 HydrophobicContact CG-CD2 3.84Å; A950-L975 HydrophobicContact CB-CD2 4.15Å; A950-L975 HydrophobicContact CB-CG 4.15Å; L953-L975 HydrophobicContact CD1-CD2 3.87Å; V971-L975 WeakPolarHBondContact O-CG 3.3Å; V971-L975 PolarHBondContact O-N 3.39Å; V971-L975 VanDerWaalsContact O-N 3.09Å; C972-L975 PolarHBondContact O-N 2.93Å; E973-L975 VanDerWaalsContact C-N 3.35Å; E973-L975 PolarHBondContact O-N 2.79Å; L975-R977 VanDerWaalsContact C-N 3.27Å; L975-R977 PolarHBondContact O-N 3.21Å; L975-Y978 PolarHBondContact O-N 3.31Å; L975-G979 PolarHBondContact O-N 3.32Å; L975-Y980 PolarHBondContact O-N 3.04Å
976	I	96.9	Very high	95.5	Very high	100 Å²	100	67.8 Å²	67.8	51%	0.513	33%	0.331	S	S	.	.	H	α-helix	trans	-60.1	-41.5	176.5	-66	163.3	0	0	0	110.1	C972 E973 Y978 G979	C972-I976 WeakPolarHBondContact O-CG1 3.35Å; C972-I976 PolarHBondContact O-N 3.45Å; E973-I976 PolarHBondContact O-N 2.94Å; I976-Y978 PolarHBondContact O-N 3.02Å; I976-G979 PolarHBondContact O-N 2.86Å
977	R	96.5	Very high	95.6	Very high	148 Å²	148	71.5 Å²	71.5	56%	0.558	34%	0.342	S	S	*	.	H	α-helix	trans	-57.1	-34.5	179.5	-167.8	-176.3	-57.9	141.8	16.7	112.5	E973 D974 L975	E973-R977 PolarHBondContact O-N 2.87Å; D974-R977 WeakPolarHBondContact O-CB 3.44Å; D974-R977 PolarHBondContact O-N 3.49Å; D974-R977 IonicContact OD1-CZ 2.8Å; D974-R977 IonicContact OD1-NH1 2.87Å; D974-R977 PolarHBondContact OD1-NH1 3.21Å; D974-R977 IonicContact OD1-NH2 3.24Å; D974-R977 PolarHBondContact OD1-NH2 3.4Å; L975-R977 VanDerWaalsContact C-N 3.27Å; L975-R977 PolarHBondContact O-N 3.21Å
978	Y	95	Very high	95.7	Very high	98 Å²	98	65.9 Å²	65.9	38%	0.384	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	14	178.4	-67.2	-70.9	0	0	0	113.7	L953 D954 D974 L975 I976 Y980	L953-Y978 HydrophobicContact CB-CD2 3.8Å; L953-Y978 HydrophobicContact CB-CE2 4.26Å; L953-Y978 HydrophobicContact CB-CG 4.04Å; D954-Y978 HydrophobicContact CB-CE2 3.84Å; D954-Y978 PolarHBondContact OD1-OH 3.49Å; D974-Y978 WeakPolarHBondContact O-CD2 3.4Å; D974-Y978 PolarHBondContact O-N 3.41Å; L975-Y978 PolarHBondContact O-N 3.31Å; I976-Y978 PolarHBondContact O-N 3.02Å; Y978-Y980 VanDerWaalsContact C-N 3.33Å; Y978-Y980 PolarHBondContact O-N 3.37Å
979	G	94.8	Very high	95.8	Very high	72 Å²	72	63.6 Å²	63.6	74%	0.742	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	11.2	174.8	0	0	0	0	0	115	L975 I976	L975-G979 PolarHBondContact O-N 3.32Å; I976-G979 PolarHBondContact O-N 2.86Å
980	Y	96.1	Very high	95.9	Very high	56 Å²	56	56.7 Å²	56.7	22%	0.22	28%	0.276	C	S	.	.	S	Bend	trans	-92.2	161.2	173.5	-73.8	-89.1	0	0	0	111.5	L953 L975 Y978	L953-Y980 HydrophobicContact CD1-CD2 3.46Å; L953-Y980 VanDerWaalsContact CD1-CD2 3.46Å; L953-Y980 HydrophobicContact CD1-CE2 3.56Å; L953-Y980 HydrophobicContact CD1-CG 4.3Å; L953-Y980 HydrophobicContact CD2-CD2 4.49Å; L953-Y980 HydrophobicContact CD2-CE2 3.78Å; L953-Y980 HydrophobicContact CG-CE2 4.34Å; L975-Y980 PolarHBondContact O-N 3.04Å; Y978-Y980 VanDerWaalsContact C-N 3.33Å; Y978-Y980 PolarHBondContact O-N 3.37Å
981	N	96.6	Very high	96	Very high	53 Å²	53	53.9 Å²	53.9	28%	0.283	27%	0.266	S	S	.	.			trans	-63.1	139.2	172.9	-172.1	-1.3	0	0	0	110.7	Q983 G984 K985	N981-Q983 PolarHBondContact O-N 3.45Å; N981-Q983 VanDerWaalsContact O-N 3.15Å; N981-Q983 PolarHBondContact OD1-N 3Å; N981-G984 PolarHBondContact O-N 3.06Å; N981-K985 WeakPolarHBondContact CB-O 3.37Å; N981-K985 PolarHBondContact ND2-O 3.29Å
982	Y	95.6	Very high	96.1	Very high	120 Å²	120	59 Å²	59	47%	0.471	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-31.4	175.1	72.5	-81.6	0	0	0	112.6	C972 G984	C972-Y982 PolarHBondContact SG-O 3.1Å; Y982-G984 VanDerWaalsContact C-N 3.31Å
983	Q	94.6	Very high	96.2	Very high	73 Å²	73	62.3 Å²	62.3	34%	0.341	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.5	175.2	-58.4	-170.1	-8.1	0	0	113.5	N981 K985 Y1002	N981-Q983 PolarHBondContact O-N 3.45Å; N981-Q983 VanDerWaalsContact O-N 3.15Å; N981-Q983 PolarHBondContact OD1-N 3Å; Q983-K985 HydrophobicContact CB-CG 4.24Å; Q983-K985 PolarHBondContact O-N 3.36Å; Q983-K985 VanDerWaalsContact O-N 3.12Å; Q983-Y1002 WeakPolarHBondContact O-CD2 3.33Å; Q983-Y1002 WeakPolarHBondContact O-CE2 3.4Å
984	G	93.8	Very high	96.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.312	C	S	.	.			trans	63.8	14.6	-175.1	0	0	0	0	0	115	N981 Y982 F1003	N981-G984 PolarHBondContact O-N 3.06Å; Y982-G984 VanDerWaalsContact C-N 3.31Å; G984-F1003 PolarHBondContact O-N 3.36Å
985	K	96.9	Very high	96.2	Very high	79 Å²	79	64.8 Å²	64.8	34%	0.343	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.5	171	-63.4	-178.9	179.8	175.8	0	109.5	N981 Q983 I1001 Y1002	N981-K985 WeakPolarHBondContact CB-O 3.37Å; N981-K985 PolarHBondContact ND2-O 3.29Å; Q983-K985 HydrophobicContact CB-CG 4.24Å; Q983-K985 PolarHBondContact O-N 3.36Å; Q983-K985 VanDerWaalsContact O-N 3.12Å; K985-I1001 CarbonylContact C-O 3.57Å; K985-I1001 WeakPolarHBondContact CA-O 3.46Å; K985-Y1002 HydrophobicContact CG-CD2 3.81Å
986	D	96.4	Very high	96.3	Very high	17 Å²	17	68 Å²	68	9%	0.091	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	155.4	-177.9	-63.8	-14.6	0	0	0	110.9	K949 V988 Y1000 I1001 F1003	K949-D986 IonicContact NZ-OD1 2.66Å; K949-D986 PolarHBondContact NZ-OD1 3.09Å; K949-D986 IonicContact NZ-OD2 3.79Å; K949-D986 PolarHBondContact NZ-OD2 3.31Å; D986-V988 HydrophobicContact CB-CG2 4.2Å; D986-Y1000 WeakPolarHBondContact O-CA 3.4Å; D986-I1001 PolarHBondContact N-O 3.17Å; D986-I1001 PolarHBondContact O-N 3.18Å; D986-F1003 HydrophobicContact CB-CB 4.38Å
987	Y	97	Very high	96.3	Very high	102 Å²	102	65.5 Å²	65.5	40%	0.4	35%	0.346	S	S	.	.			trans	-76.7	128.9	164.6	-177.8	-100.3	0	0	0	108.7	D919 P996 Y1000	D919-Y987 WeakPolarHBondContact OD1-CD1 3.48Å; Y987-P996 HydrophobicContact CE1-CB 4.22Å; Y987-P996 HydrophobicContact CE2-CB 3.9Å; Y987-P996 VanDerWaalsContact CZ-CB 3.45Å; Y987-P996 WeakPolarHBondContact OH-CB 3.14Å; Y987-P996 WeakPolarHBondContact OH-CG 3.41Å; Y987-Y1000 HydrophobicContact CD2-CE1 4.08Å
988	V	97.7	Very high	96.3	Very high	2 Å²	2	68.4 Å²	68.4	1%	0.012	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	134.8	-168.6	178.9	0	0	0	0	109.8	P916 D986 L997 I1001	P916-V988 HydrophobicContact CB-CG1 3.58Å; D986-V988 HydrophobicContact CB-CG2 4.2Å; V988-L997 HydrophobicContact CB-CD1 4.29Å; V988-L997 HydrophobicContact CG1-CD1 4.02Å; V988-L997 PolarHBondContact O-N 2.78Å; V988-I1001 HydrophobicContact CB-CB 4.35Å; V988-I1001 HydrophobicContact CB-CG1 4.02Å; V988-I1001 HydrophobicContact CG1-CG1 4.43Å; V988-I1001 HydrophobicContact CG2-CB 3.87Å; V988-I1001 HydrophobicContact CG2-CG1 4.13Å
989	T	98.1	Very high	96.4	Very high	18 Å²	18	66.8 Å²	66.8	11%	0.11	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	139.3	178.3	-55.2	0	0	0	0	110.3	P916 F917 G991 G994	P916-T989 VanDerWaalsContact CA-O 3.26Å; P916-T989 WeakPolarHBondContact CA-O 3.36Å; F917-T989 HydrophobicContact CE1-CG2 3.95Å; F917-T989 HydrophobicContact CE2-CG2 4.37Å; F917-T989 HydrophobicContact CZ-CG2 3.66Å; F917-T989 PolarHBondContact N-O 3.25Å; F917-T989 PolarHBondContact O-N 3.44Å; T989-G991 PolarHBondContact O-N 3.45Å; T989-G994 WeakPolarHBondContact CG2-O 3.39Å
990	S	97.7	Very high	96.5	Very high	16 Å²	16	70.4 Å²	70.4	11%	0.112	37%	0.365	C	S	.	.			trans	-68.1	125.6	176.5	178.9	0	0	0	0	110.5	I992 T993 G994 E995	S990-I992 VanDerWaalsContact C-N 3.27Å; S990-I992 PolarHBondContact O-N 3.18Å; S990-I992 PolarHBondContact OG-N 3.08Å; S990-T993 VanDerWaalsContact CB-OG1 3.27Å; S990-T993 WeakPolarHBondContact CB-OG1 3.48Å; S990-T993 PolarHBondContact OG-N 3.13Å; S990-T993 PolarHBondContact OG-OG1 3.39Å; S990-G994 VanDerWaalsContact O-CA 3.25Å; S990-G994 WeakPolarHBondContact O-CA 3.41Å; S990-G994 PolarHBondContact O-N 2.96Å; S990-E995 VanDerWaalsContact CB-O 3.25Å; S990-E995 WeakPolarHBondContact CB-O 3.33Å; S990-E995 PolarHBondContact N-O 3.08Å
991	G	95.9	Very high	96.6	Very high	23 Å²	23	68.4 Å²	68.4	24%	0.237	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-26.1	174.7	0	0	0	0	0	113.4	E913 T989	E913-G991 WeakPolarHBondContact O-CA 3.18Å; T989-G991 PolarHBondContact O-N 3.45Å
992	I	96.3	Very high	96.7	Very high	110 Å²	110	67.5 Å²	67.5	56%	0.564	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-48.7	-177.9	-57.6	172.2	0	0	0	111.4	Y745 S990	Y745-I992 HydrophobicContact CE2-CD1 4.05Å; Y745-I992 WeakPolarHBondContact OH-CD1 3.31Å; S990-I992 VanDerWaalsContact C-N 3.27Å; S990-I992 PolarHBondContact O-N 3.18Å; S990-I992 PolarHBondContact OG-N 3.08Å
993	T	96.7	Very high	96.7	Very high	89 Å²	89	62 Å²	62	55%	0.546	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-19.2	-172.3	55.3	0	0	0	0	113	S990 E995	S990-T993 VanDerWaalsContact CB-OG1 3.27Å; S990-T993 WeakPolarHBondContact CB-OG1 3.48Å; S990-T993 PolarHBondContact OG-N 3.13Å; S990-T993 PolarHBondContact OG-OG1 3.39Å; T993-E995 PolarHBondContact O-N 3.26Å; T993-E995 PolarHBondContact OG1-N 3.13Å
994	G	95.1	Very high	96.8	Very high	53 Å²	53	58.8 Å²	58.8	55%	0.546	32%	0.315	S	S	.	.	S	Bend	trans	74.9	-2	-172	0	0	0	0	0	114.2	T989 S990	T989-G994 WeakPolarHBondContact CG2-O 3.39Å; S990-G994 VanDerWaalsContact O-CA 3.25Å; S990-G994 WeakPolarHBondContact O-CA 3.41Å; S990-G994 PolarHBondContact O-N 2.96Å
995	E	96.6	Very high	97	Very high	132 Å²	132	59.7 Å²	59.7	62%	0.617	32%	0.321	S	S	*	.	S	Bend	trans	-88.4	151	178.4	-67.3	-179.6	169.4	0	0	111.5	S990 T993	S990-E995 VanDerWaalsContact CB-O 3.25Å; S990-E995 WeakPolarHBondContact CB-O 3.33Å; S990-E995 PolarHBondContact N-O 3.08Å; T993-E995 PolarHBondContact O-N 3.26Å; T993-E995 PolarHBondContact OG1-N 3.13Å
996	P	97.6	Very high	97	Very high	68 Å²	68	56 Å²	56	44%	0.442	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-67.2	142.9	175.3	29.8	-35.4	0	0	0	111.9	Y987	Y987-P996 HydrophobicContact CE1-CB 4.22Å; Y987-P996 HydrophobicContact CE2-CB 3.9Å; Y987-P996 VanDerWaalsContact CZ-CB 3.45Å; Y987-P996 WeakPolarHBondContact OH-CB 3.14Å; Y987-P996 WeakPolarHBondContact OH-CG 3.41Å
997	L	96.8	Very high	97.1	Very high	46 Å²	46	55.2 Å²	55.2	24%	0.241	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-70.4	140	173.9	-62.1	177.2	0	0	0	110.1	M743 P916 V988 A999 I1001	M743-L997 HydrophobicContact CE-CD1 3.78Å; M743-L997 HydrophobicContact SD-CD1 4.35Å; P916-L997 HydrophobicContact CB-CD1 4.45Å; V988-L997 HydrophobicContact CB-CD1 4.29Å; V988-L997 HydrophobicContact CG1-CD1 4.02Å; V988-L997 PolarHBondContact O-N 2.78Å; L997-A999 PolarHBondContact O-N 3.12Å; L997-I1001 HydrophobicContact CD1-CD1 4.01Å; L997-I1001 HydrophobicContact CD1-CG1 3.73Å
998	E	96.8	Very high	97.2	Very high	209 Å²	209	50.7 Å²	50.7	98%	0.977	28%	0.283	S	S	*	.	S	Bend	trans	-61.2	-32.7	-179.2	-63.8	-177	172.8	0	0	112.9
999	A	97.2	Very high	97.2	Very high	64 Å²	64	50.6 Å²	50.6	53%	0.529	28%	0.283	S	S	.	.	S	Bend	trans	-110.3	142	-179.6	0	0	0	0	0	111.5	L997 I1001	L997-A999 PolarHBondContact O-N 3.12Å; A999-I1001 WeakPolarHBondContact O-CD1 3.4Å
1000	Y	97.7	Very high	97.2	Very high	149 Å²	149	50 Å²	50	58%	0.584	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-64.8	138.4	170.6	-58.2	-75	0	0	0	111.5	D986 Y987	D986-Y1000 WeakPolarHBondContact O-CA 3.4Å; Y987-Y1000 HydrophobicContact CD2-CE1 4.08Å
1001	I	98.1	Very high	97.1	Very high	14 Å²	14	49.4 Å²	49.4	7%	0.072	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.6	-176	-54.9	-51.1	0	0	0	109.9	A741 M743 K985 D986 V988 L997 A999 F1003	A741-I1001 HydrophobicContact CB-CG2 3.98Å; M743-I1001 HydrophobicContact CB-CD1 3.94Å; M743-I1001 HydrophobicContact CB-CG2 4.13Å; M743-I1001 HydrophobicContact CG-CG2 4.38Å; M743-I1001 HydrophobicContact SD-CD1 4.37Å; M743-I1001 HydrophobicContact SD-CG1 4.3Å; M743-I1001 HydrophobicContact SD-CG2 4.21Å; K985-I1001 CarbonylContact C-O 3.57Å; K985-I1001 WeakPolarHBondContact CA-O 3.46Å; D986-I1001 PolarHBondContact N-O 3.17Å; D986-I1001 PolarHBondContact O-N 3.18Å; V988-I1001 HydrophobicContact CB-CB 4.35Å; V988-I1001 HydrophobicContact CB-CG1 4.02Å; V988-I1001 HydrophobicContact CG1-CG1 4.43Å; V988-I1001 HydrophobicContact CG2-CB 3.87Å; V988-I1001 HydrophobicContact CG2-CG1 4.13Å; L997-I1001 HydrophobicContact CD1-CD1 4.01Å; L997-I1001 HydrophobicContact CD1-CG1 3.73Å; A999-I1001 WeakPolarHBondContact O-CD1 3.4Å; I1001-F1003 PolarHBondContact O-N 2.89Å
1002	Y	97.8	Very high	97.1	Very high	33 Å²	33	51 Å²	51	13%	0.129	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	118.7	176.5	-165	-111.4	0	0	0	109.6	V742 L942 L945 Q983 K985	V742-Y1002 HydrophobicContact CG2-CD1 4.08Å; V742-Y1002 PolarHBondContact N-O 3.21Å; L942-Y1002 HydrophobicContact CB-CE1 4.28Å; L942-Y1002 HydrophobicContact CD2-CD1 4.13Å; L942-Y1002 HydrophobicContact CD2-CE1 3.81Å; L942-Y1002 PolarHBondContact O-OH 3.48Å; L945-Y1002 HydrophobicContact CB-CE1 3.87Å; L945-Y1002 HydrophobicContact CD1-CD1 3.67Å; L945-Y1002 HydrophobicContact CD1-CE1 3.7Å; L945-Y1002 HydrophobicContact CD2-CD1 3.9Å; L945-Y1002 HydrophobicContact CD2-CE1 3.49Å; L945-Y1002 VanDerWaalsContact CD2-CE1 3.49Å; L945-Y1002 HydrophobicContact CD2-CE2 4.48Å; L945-Y1002 HydrophobicContact CG-CD1 4.28Å; L945-Y1002 HydrophobicContact CG-CE1 3.87Å; Q983-Y1002 WeakPolarHBondContact O-CD2 3.33Å; Q983-Y1002 WeakPolarHBondContact O-CE2 3.4Å; K985-Y1002 HydrophobicContact CG-CD2 3.81Å
1003	F	95.6	Very high	97	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	127.2	-161.3	-156.2	-82.9	0	0	0	111.9	T739 V740 A741 I922 P924 K949 G984 D986 I1001	T739-F1003 HydrophobicContact CG2-CD1 4.11Å; T739-F1003 HydrophobicContact CG2-CE1 3.23Å; T739-F1003 HydrophobicContact CG2-CZ 3.61Å; V740-F1003 WeakPolarHBondContact O-CA 3.38Å; A741-F1003 HydrophobicContact CB-CD2 3.68Å; A741-F1003 HydrophobicContact CB-CE2 3.76Å; I922-F1003 HydrophobicContact CB-CE1 4.31Å; I922-F1003 HydrophobicContact CG2-CE1 3.59Å; I922-F1003 HydrophobicContact CG2-CZ 3.9Å; P924-F1003 HydrophobicContact CB-CE2 4.07Å; P924-F1003 HydrophobicContact CB-CZ 4.25Å; P924-F1003 HydrophobicContact CG-CE2 4.31Å; K949-F1003 WeakPolarHBondContact CD-O 3.38Å; K949-F1003 PolarHBondContact NZ-O 3.38Å; G984-F1003 PolarHBondContact O-N 3.36Å; D986-F1003 HydrophobicContact CB-CB 4.38Å; I1001-F1003 PolarHBondContact O-N 2.89Å
1004	G	96.6	Very high	97	Very high	4 Å²	4	44.6 Å²	44.6	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.6	177.7	177.7	0	0	0	0	0	114.6	V740	V740-G1004 PolarHBondContact N-O 3.22Å; V740-G1004 PolarHBondContact O-N 2.88Å; V740-G1004 VanDerWaalsContact O-N 3.13Å
1005	P	97.6	Very high	97	Very high	20 Å²	20	44.6 Å²	44.6	13%	0.13	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130	-176.2	31.1	-33.4	0	0	0	111.8	A738 G948 V952	A738-P1005 CarbonylContact O-C 3.56Å; A738-P1005 WeakPolarHBondContact O-CA 3.15Å; G948-P1005 WeakPolarHBondContact O-CG 3.4Å; V952-P1005 HydrophobicContact CG1-CG 4.37Å; V952-P1005 HydrophobicContact CG2-CG 4.34Å
1006	V	98.2	Very high	96.9	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.7	173.3	179.1	0	0	0	0	109.5	A738 V740 L945 Y1008	A738-V1006 PolarHBondContact N-O 2.84Å; A738-V1006 PolarHBondContact O-N 3.13Å; V740-V1006 HydrophobicContact CB-CB 4.38Å; V740-V1006 HydrophobicContact CB-CG2 4.11Å; V740-V1006 HydrophobicContact CG2-CB 3.78Å; V740-V1006 HydrophobicContact CG2-CG2 4.08Å; L945-V1006 HydrophobicContact CB-CG2 3.85Å; L945-V1006 HydrophobicContact CD1-CG2 3.86Å; L945-V1006 HydrophobicContact CG-CG2 4.05Å; V1006-Y1008 HydrophobicContact CB-CD2 4.2Å; V1006-Y1008 HydrophobicContact CB-CE2 4.11Å; V1006-Y1008 HydrophobicContact CG1-CD2 3.92Å; V1006-Y1008 HydrophobicContact CG1-CE2 3.74Å; V1006-Y1008 PolarHBondContact O-N 3.26Å
1007	Y	98.3	Very high	96.5	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	111.1	179.6	-168.2	-97.1	0	0	0	111.6	Q715 P717 A734 G735 N737 R899 Q1009	Q715-Y1007 VanDerWaalsContact O-CE2 3.31Å; Q715-Y1007 WeakPolarHBondContact O-CE2 3.45Å; Q715-Y1007 PolarHBondContact O-OH 3.03Å; P717-Y1007 HydrophobicContact CB-CD2 4.01Å; P717-Y1007 HydrophobicContact CB-CE2 4.24Å; P717-Y1007 HydrophobicContact CB-CG 4.18Å; P717-Y1007 HydrophobicContact CG-CD2 4.21Å; P717-Y1007 HydrophobicContact CG-CE1 4.29Å; P717-Y1007 HydrophobicContact CG-CE2 3.95Å; P717-Y1007 HydrophobicContact CG-CG 4.45Å; A734-Y1007 VanDerWaalsContact C-OH 3.25Å; A734-Y1007 PolarHBondContact N-OH 2.84Å; G735-Y1007 VanDerWaalsContact CA-CZ 3.49Å; G735-Y1007 WeakPolarHBondContact CA-OH 3.18Å; G735-Y1007 PolarHBondContact N-OH 3.38Å; N737-Y1007 WeakPolarHBondContact OD1-CD2 3.42Å; R899-Y1007 HydrophobicContact CG-CD1 3.96Å; Y1007-Q1009 HydrophobicContact CD1-CG 4.1Å; Y1007-Q1009 HydrophobicContact CE1-CG 3.87Å
1008	Y	98.3	Very high	96.3	Very high	6 Å²	6	41.3 Å²	41.3	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.7	178.7	-94.3	-102.5	0	0	0	112	G735 Q736 A738 V740 L754 F896 I926 K941 V1006	G735-Y1008 VanDerWaalsContact CA-O 3.3Å; G735-Y1008 WeakPolarHBondContact CA-O 3.33Å; Q736-Y1008 PolarHBondContact N-O 3.32Å; Q736-Y1008 PolarHBondContact O-N 2.91Å; A738-Y1008 HydrophobicContact CB-CD2 4.3Å; V740-Y1008 HydrophobicContact CG2-CD2 4.15Å; V740-Y1008 HydrophobicContact CG2-CE2 3.79Å; L754-Y1008 HydrophobicContact CD1-CE1 4.34Å; F896-Y1008 HydrophobicContact CB-CD1 4.12Å; I926-Y1008 HydrophobicContact CD1-CD1 3.7Å; I926-Y1008 HydrophobicContact CD1-CD2 4.09Å; I926-Y1008 HydrophobicContact CD1-CE1 4.04Å; I926-Y1008 HydrophobicContact CD1-CE2 4.43Å; I926-Y1008 HydrophobicContact CD1-CG 3.71Å; K941-Y1008 PolarHBondContact NZ-OH 2.96Å; V1006-Y1008 HydrophobicContact CB-CD2 4.2Å; V1006-Y1008 HydrophobicContact CB-CE2 4.11Å; V1006-Y1008 HydrophobicContact CG1-CD2 3.92Å; V1006-Y1008 HydrophobicContact CG1-CE2 3.74Å; V1006-Y1008 PolarHBondContact O-N 3.26Å
1009	Q	97.6	Very high	95.9	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125	-179.6	-58.4	-176.2	-29.5	0	0	109.5	A692 A734 F896 S897 Y1007	A692-Q1009 HydrophobicContact CB-CB 3.89Å; A692-Q1009 HydrophobicContact CB-CG 4.42Å; A734-Q1009 WeakPolarHBondContact O-CG 2.99Å; F896-Q1009 CarbonylContact C-O 3.25Å; F896-Q1009 WeakPolarHBondContact CA-O 3.2Å; S897-Q1009 PolarHBondContact N-O 3.29Å; S897-Q1009 PolarHBondContact O-N 3.07Å; Y1007-Q1009 HydrophobicContact CD1-CG 4.1Å; Y1007-Q1009 HydrophobicContact CE1-CG 3.87Å
1010	K	97.8	Very high	95.5	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.4	171.6	-172	172.4	-177.3	178.6	0	109.4	A692 M693 G766 C768 P890 D894 F896	A692-K1010 CarbonylContact C-O 3.38Å; A692-K1010 WeakPolarHBondContact CA-O 3.5Å; M693-K1010 PolarHBondContact N-O 2.82Å; M693-K1010 HydrophobicContact SD-CG 4.49Å; G766-K1010 VanDerWaalsContact O-CD 3.24Å; G766-K1010 WeakPolarHBondContact O-CD 3.22Å; G766-K1010 PolarHBondContact O-NZ 2.84Å; C768-K1010 PolarHBondContact SG-NZ 3.5Å; P890-K1010 HydrophobicContact CG-CD 4.46Å; D894-K1010 WeakPolarHBondContact OD2-CE 3.43Å; D894-K1010 IonicContact OD2-NZ 3.59Å; D894-K1010 PolarHBondContact OD2-NZ 3.4Å; F896-K1010 HydrophobicContact CD1-CB 4.09Å; F896-K1010 HydrophobicContact CD1-CG 4.38Å; F896-K1010 HydrophobicContact CE1-CB 3.9Å; F896-K1010 HydrophobicContact CE1-CD 4.25Å; F896-K1010 HydrophobicContact CE1-CG 4.02Å; F896-K1010 HydrophobicContact CZ-CD 4.14Å; F896-K1010 HydrophobicContact CZ-CG 4.21Å
1011	L	97.1	Very high	95.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-93	156.9	-177	-57.1	-176.1	0	0	0	111.7	M688 A692 K895 H1013	M688-L1011 HydrophobicContact CB-CD2 4.27Å; M688-L1011 HydrophobicContact CG-CD1 4.49Å; M688-L1011 HydrophobicContact SD-CD1 3.77Å; A692-L1011 HydrophobicContact CB-CD2 4.28Å; K895-L1011 HydrophobicContact CB-CB 4.12Å; K895-L1011 HydrophobicContact CB-CD1 4.2Å; K895-L1011 PolarHBondContact O-N 3.42Å; L1011-H1013 PolarHBondContact O-N 3.41Å; L1011-H1013 VanDerWaalsContact O-N 3.12Å
1012	K	95.2	Very high	94.7	Very high	56 Å²	56	37 Å²	37	24%	0.243	19%	0.19	C	C	.	.	S	Bend	trans	-59.2	-23	178.4	71.8	177.8	178.5	-177	0	115.8	L442 Q691 Y709 M1014	L442-K1012 HydrophobicContact CD1-CD 3.85Å; L442-K1012 HydrophobicContact CD2-CD 4.07Å; Q691-K1012 HydrophobicContact CB-CG 4.45Å; Q691-K1012 PolarHBondContact O-N 2.88Å; Y709-K1012 HydrophobicContact CD2-CB 4.09Å; Y709-K1012 HydrophobicContact CE2-CB 3.9Å; K1012-M1014 PolarHBondContact O-N 3.25Å
1013	H	94.9	Very high	94.3	Very high	63 Å²	63	40.2 Å²	40.2	29%	0.292	22%	0.224	S	C	.	.			trans	-82.2	88.9	-172.5	-71.7	-59	0	0	0	110.7	K895 L1011	K895-H1013 HydrophobicContact CD-CB 4.1Å; K895-H1013 HydrophobicContact CG-CB 4.46Å; L1011-H1013 PolarHBondContact O-N 3.41Å; L1011-H1013 VanDerWaalsContact O-N 3.12Å
1014	M	95.9	Very high	94	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.015	27%	0.265	C	S	.	.			trans	-95.6	152.1	175	-64.2	170.6	-73.2	0	0	111.7	M693 Y709 V770 D894 K1012 D1017	M693-M1014 HydrophobicContact CE-CE 3.51Å; M693-M1014 HydrophobicContact CE-CG 4.14Å; M693-M1014 HydrophobicContact CE-SD 3.7Å; Y709-M1014 HydrophobicContact CD1-CE 4.11Å; Y709-M1014 HydrophobicContact CE1-CE 3.52Å; V770-M1014 HydrophobicContact CG2-CE 3.81Å; D894-M1014 WeakPolarHBondContact OD1-CA 3.31Å; D894-M1014 WeakPolarHBondContact OD1-CB 2.99Å; D894-M1014 WeakPolarHBondContact OD1-CG 3.43Å; K1012-M1014 PolarHBondContact O-N 3.25Å; M1014-D1017 WeakPolarHBondContact CE-OD2 3.12Å; M1014-D1017 PolarHBondContact O-N 3.32Å
1015	V	95.8	Very high	93.6	Very high	52 Å²	52	52.3 Å²	52.3	32%	0.315	28%	0.278	S	S	.	.	S	Bend	trans	-67.5	-37.8	-179.3	65.7	0	0	0	0	112.2	E891 I892 D894 D1017 K1018 M1019	E891-V1015 HydrophobicContact CG-CG1 3.65Å; E891-V1015 WeakPolarHBondContact OE1-CG1 3.44Å; I892-V1015 WeakPolarHBondContact O-CG1 3.49Å; D894-V1015 PolarHBondContact OD1-N 3.32Å; V1015-D1017 VanDerWaalsContact C-N 3.26Å; V1015-D1017 PolarHBondContact O-N 3.27Å; V1015-K1018 CarbonylContact O-C 3.56Å; V1015-K1018 WeakPolarHBondContact O-CA 3.41Å; V1015-K1018 PolarHBondContact O-N 2.58Å; V1015-M1019 PolarHBondContact O-N 3.23Å
1016	L	93.7	Very high	93.2	Very high	34 Å²	34	54.8 Å²	54.8	18%	0.178	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.5	176.9	-162.1	156.1	0	0	0	112.5	T861 K1018 R1038	T861-L1016 HydrophobicContact CG2-CD1 4.43Å; T861-L1016 HydrophobicContact CG2-CD2 4.07Å; L1016-K1018 PolarHBondContact O-N 2.97Å; L1016-R1038 PolarHBondContact O-NH2 3.4Å
1017	D	90.6	Very high	92.9	Very high	31 Å²	31	61 Å²	61	17%	0.166	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	6.5	175.4	-73	-30.8	0	0	0	113.2	K772 R888 M1014 V1015 R1038	K772-D1017 IonicContact NZ-OD1 3.52Å; R888-D1017 IonicContact CZ-OD1 3.58Å; R888-D1017 IonicContact CZ-OD2 3.25Å; R888-D1017 IonicContact NH1-OD1 2.75Å; R888-D1017 PolarHBondContact NH1-OD1 3.18Å; R888-D1017 IonicContact NH1-OD2 2.77Å; R888-D1017 PolarHBondContact NH1-OD2 2.64Å; R888-D1017 IonicContact NH2-OD1 3.56Å; R888-D1017 PolarHBondContact NH2-OD1 3.17Å; R888-D1017 IonicContact NH2-OD2 3.43Å; M1014-D1017 WeakPolarHBondContact CE-OD2 3.12Å; M1014-D1017 PolarHBondContact O-N 3.32Å; V1015-D1017 VanDerWaalsContact C-N 3.26Å; V1015-D1017 PolarHBondContact O-N 3.27Å; D1017-R1038 VanDerWaalsContact C-CZ 3.49Å; D1017-R1038 VanDerWaalsContact O-CZ 3.28Å; D1017-R1038 PolarHBondContact O-NH1 3.09Å
1018	K	91.1	Very high	92.7	Very high	113 Å²	113	62.6 Å²	62.6	49%	0.491	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-24.4	177.6	-70.8	-168.1	175.7	-167.5	0	114.2	V1015 L1016 H1020	V1015-K1018 CarbonylContact O-C 3.56Å; V1015-K1018 WeakPolarHBondContact O-CA 3.41Å; V1015-K1018 PolarHBondContact O-N 2.58Å; L1016-K1018 PolarHBondContact O-N 2.97Å; K1018-H1020 PolarHBondContact O-N 2.92Å; K1018-H1020 VanDerWaalsContact O-N 3.17Å
1019	M	89.5	Confident	92.4	Very high	134 Å²	134	69 Å²	69	66%	0.66	37%	0.37	S	S	*	.			trans	-55.3	121.9	175.2	-171.8	175.3	72.4	0	0	109.8	V1015 R1038	V1015-M1019 PolarHBondContact O-N 3.23Å; M1019-R1038 PolarHBondContact O-NE 3.07Å; M1019-R1038 VanDerWaalsContact O-NE 3.17Å; M1019-R1038 PolarHBondContact O-NH2 3.34Å
1020	H	89.2	Confident	92.2	Very high	62 Å²	62	74.6 Å²	74.6	29%	0.287	40%	0.399	S	S	.	.			trans	-148.7	131	-177.2	-176.5	54.4	0	0	0	109.4	K1018 R1038 G1042	K1018-H1020 PolarHBondContact O-N 2.92Å; K1018-H1020 VanDerWaalsContact O-N 3.17Å; H1020-R1038 HydrophobicContact CB-CG 4.28Å; H1020-G1042 PolarHBondContact NE2-O 2.88Å
1021	A	89.6	Confident	92	Very high	87 Å²	87	76.2 Å²	76.2	72%	0.719	41%	0.41	S	S	*	.			trans	-144.9	144.7	178.9	0	0	0	0	0	108.9
1022	R	88.1	Confident	91.8	Very high	61 Å²	61	81.3 Å²	81.3	23%	0.23	43%	0.429	C	S	.	.			trans	-139.7	123.6	178.1	178.7	-172	172.4	135	-0.8	109.2	G1025 P1026 T1035 D1041	R1022-G1025 PolarHBondContact NH2-O 3.41Å; R1022-P1026 PolarHBondContact NH1-O 2.81Å; R1022-P1026 PolarHBondContact NH2-O 3.22Å; R1022-T1035 PolarHBondContact NH1-OG1 3.27Å; R1022-T1035 VanDerWaalsContact NH1-OG1 3.08Å; R1022-D1041 WeakPolarHBondContact CD-O 3.46Å; R1022-D1041 PolarHBondContact NH1-O 3.48Å
1023	A	90.1	Very high	91.6	Very high	102 Å²	102	82 Å²	82	84%	0.843	43%	0.433	S	S	*	.	S	Bend	trans	-89.9	-64.5	168.9	0	0	0	0	0	110.3
1024	R	88.4	Confident	91.5	Very high	234 Å²	234	81 Å²	81	88%	0.883	43%	0.432	S	S	*	.	S	Bend	trans	-140.7	156.6	172.1	-65.4	-179	179.6	172.1	-0	107.7
1025	G	89.1	Confident	91.3	Very high	30 Å²	30	82 Å²	82	31%	0.309	44%	0.438	S	S	.	.			trans	-171.4	-174.9	-174.7	0	0	0	0	0	112.7	R1022	R1022-G1025 PolarHBondContact NH2-O 3.41Å
1026	P	89.6	Confident	91	Very high	71 Å²	71	87.4 Å²	87.4	46%	0.461	46%	0.46	S	S	.	.			trans	-58.3	150.2	178.3	26	-34	0	0	0	111.2	R1022 T1035	R1022-P1026 PolarHBondContact NH1-O 2.81Å; R1022-P1026 PolarHBondContact NH2-O 3.22Å; P1026-T1035 HydrophobicContact CB-CG2 4.23Å; P1026-T1035 HydrophobicContact CG-CG2 4.26Å; P1026-T1035 PolarHBondContact O-N 2.94Å; P1026-T1035 PolarHBondContact O-OG1 2.69Å
1027	R	91.8	Very high	90.5	Very high	131 Å²	131	88 Å²	88	49%	0.494	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-116.1	150.6	178.8	-71.7	170	174.2	-130.1	7.9	109.7	R1032 Q1033 S1071	R1027-R1032 WeakPolarHBondContact CD-O 3.36Å; R1027-R1032 WeakPolarHBondContact CG-O 3.36Å; R1027-R1032 PolarHBondContact NH1-O 2.91Å; R1027-Q1033 CarbonylContact C-O 3.57Å; R1027-Q1033 WeakPolarHBondContact CA-O 3.45Å; R1027-Q1033 WeakPolarHBondContact CB-O 3.45Å; R1027-S1071 PolarHBondContact NH1-O 2.89Å; R1027-S1071 PolarHBondContact NH2-O 2.62Å
1028	A	92.8	Very high	90.2	Very high	35 Å²	35	91.5 Å²	91.5	29%	0.289	49%	0.485	S	S	.	.			trans	-61.5	137.7	170.4	0	0	0	0	0	109.6	L1030 R1032 Q1033	A1028-L1030 PolarHBondContact O-N 2.92Å; A1028-R1032 WeakPolarHBondContact O-CA 2.98Å; A1028-R1032 PolarHBondContact O-N 3Å; A1028-Q1033 PolarHBondContact N-O 3.18Å
1029	V	93.3	Very high	89.7	Confident	140 Å²	140	92.3 Å²	92.3	85%	0.848	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-40.9	-176.8	178.8	0	0	0	0	111.3
1030	L	93.3	Very high	89.4	Confident	119 Å²	119	94.9 Å²	94.9	62%	0.623	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-59.2	-177.3	-179.4	63.1	0	0	0	112.1	A1028 Y1107 L1111	A1028-L1030 PolarHBondContact O-N 2.92Å; L1030-Y1107 WeakPolarHBondContact O-CE1 3.32Å; L1030-L1111 HydrophobicContact CD1-CD2 4.31Å; L1030-L1111 HydrophobicContact CG-CD2 4.23Å
1031	T	93.4	Very high	89.1	Confident	40 Å²	40	95.1 Å²	95.1	25%	0.245	51%	0.512	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-9.9	-172.5	57	0	0	0	0	113.9	Q1033 Y1107 L1111	T1031-Q1033 PolarHBondContact O-N 3.12Å; T1031-Y1107 VanDerWaalsContact O-CD1 3.22Å; T1031-Y1107 WeakPolarHBondContact O-CD1 3.25Å; T1031-L1111 HydrophobicContact CG2-CD2 4.37Å
1032	R	92.6	Very high	88.9	Confident	110 Å²	110	91 Å²	91	42%	0.415	48%	0.478	S	S	.	.			trans	53.7	16.9	-173.2	-60.1	-169.7	179.8	-170.4	-2.8	115.2	R1027 A1028 Y1107	R1027-R1032 WeakPolarHBondContact CD-O 3.36Å; R1027-R1032 WeakPolarHBondContact CG-O 3.36Å; R1027-R1032 PolarHBondContact NH1-O 2.91Å; A1028-R1032 WeakPolarHBondContact O-CA 2.98Å; A1028-R1032 PolarHBondContact O-N 3Å; R1032-Y1107 HydrophobicContact CB-CD1 3.87Å; R1032-Y1107 HydrophobicContact CB-CE1 4.16Å; R1032-Y1107 HydrophobicContact CB-CG 4.13Å; R1032-Y1107 HydrophobicContact CG-CD1 3.97Å; R1032-Y1107 HydrophobicContact CG-CD2 4.48Å; R1032-Y1107 HydrophobicContact CG-CE1 3.75Å; R1032-Y1107 HydrophobicContact CG-CE2 4.27Å; R1032-Y1107 HydrophobicContact CG-CG 4.32Å
1033	Q	92	Very high	88.8	Confident	69 Å²	69	89.4 Å²	89.4	32%	0.322	48%	0.48	S	S	.	.	S	Bend	trans	-83.4	161.6	173.8	-71.8	174.7	-6.1	0	0	110.9	R1027 A1028 T1031 T1035 D1072	R1027-Q1033 CarbonylContact C-O 3.57Å; R1027-Q1033 WeakPolarHBondContact CA-O 3.45Å; R1027-Q1033 WeakPolarHBondContact CB-O 3.45Å; A1028-Q1033 PolarHBondContact N-O 3.18Å; T1031-Q1033 PolarHBondContact O-N 3.12Å; Q1033-T1035 PolarHBondContact O-N 3.44Å; Q1033-D1072 HydrophobicContact CG-CB 4.05Å
1034	P	93.1	Very high	88.8	Confident	42 Å²	42	92.4 Å²	92.4	27%	0.273	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-45.8	136.9	167.5	-31.1	38.4	0	0	0	112.7
1035	T	91.6	Very high	89	Confident	24 Å²	24	91.1 Å²	91.1	15%	0.147	48%	0.476	C	S	.	.			trans	-56.8	152.8	173.5	42.6	0	0	0	0	112.4	R1022 P1026 Q1033 R1040 G1042 G1043	R1022-T1035 PolarHBondContact NH1-OG1 3.27Å; R1022-T1035 VanDerWaalsContact NH1-OG1 3.08Å; P1026-T1035 HydrophobicContact CB-CG2 4.23Å; P1026-T1035 HydrophobicContact CG-CG2 4.26Å; P1026-T1035 PolarHBondContact O-N 2.94Å; P1026-T1035 PolarHBondContact O-OG1 2.69Å; Q1033-T1035 PolarHBondContact O-N 3.44Å; T1035-R1040 PolarHBondContact OG1-O 3.18Å; T1035-G1042 CarbonylContact O-C 3.56Å; T1035-G1042 WeakPolarHBondContact O-CA 3.44Å; T1035-G1043 PolarHBondContact O-N 2.98Å
1036	E	88	Confident	89.2	Confident	166 Å²	166	92.5 Å²	92.5	78%	0.776	48%	0.476	S	S	*	.	S	Bend	trans	-88.1	143.4	174	-62.5	179.5	177.5	0	0	111.9
1037	G	83.4	Confident	89.4	Confident	47 Å²	47	89.9 Å²	89.9	49%	0.485	46%	0.462	S	S	.	.	S	Bend	trans	84.9	144.8	168.2	0	0	0	0	0	115.5	S1039 R1040 G1042	G1037-S1039 PolarHBondContact O-N 2.85Å; G1037-R1040 PolarHBondContact O-N 3.13Å; G1037-G1042 WeakPolarHBondContact O-CA 3.38Å; G1037-G1042 PolarHBondContact O-N 3.33Å
1038	R	84.3	Confident	89.5	Confident	104 Å²	104	90.2 Å²	90.2	39%	0.392	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-57.3	-44.3	-176.1	-179.5	169.7	-177.5	-124.3	11.2	113.6	L1016 D1017 M1019 H1020 R1040 D1041	L1016-R1038 PolarHBondContact O-NH2 3.4Å; D1017-R1038 VanDerWaalsContact C-CZ 3.49Å; D1017-R1038 VanDerWaalsContact O-CZ 3.28Å; D1017-R1038 PolarHBondContact O-NH1 3.09Å; M1019-R1038 PolarHBondContact O-NE 3.07Å; M1019-R1038 VanDerWaalsContact O-NE 3.17Å; M1019-R1038 PolarHBondContact O-NH2 3.34Å; H1020-R1038 HydrophobicContact CB-CG 4.28Å; R1038-R1040 PolarHBondContact O-N 2.95Å; R1038-R1040 VanDerWaalsContact O-N 3.1Å; R1038-D1041 PolarHBondContact O-N 2.83Å; R1038-D1041 VanDerWaalsContact O-N 3.09Å
1039	S	81.4	Confident	89.7	Confident	131 Å²	131	95.8 Å²	95.8	92%	0.916	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-65.5	-15.5	-177.2	-49.9	0	0	0	0	114.2	G1037	G1037-S1039 PolarHBondContact O-N 2.85Å
1040	R	83.5	Confident	89.8	Confident	187 Å²	187	93.9 Å²	93.9	71%	0.706	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-107.6	20.7	178.4	-63.5	-177.4	175.8	-177.3	-0.8	112.4	T1035 G1037 R1038 G1042	T1035-R1040 PolarHBondContact OG1-O 3.18Å; G1037-R1040 PolarHBondContact O-N 3.13Å; R1038-R1040 PolarHBondContact O-N 2.95Å; R1038-R1040 VanDerWaalsContact O-N 3.1Å; R1040-G1042 PolarHBondContact O-N 2.93Å
1041	D	82.5	Confident	90	Very high	68 Å²	68	92.9 Å²	92.9	36%	0.364	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	40	-174.5	-168.4	34.8	0	0	0	111.9	R1022 R1038	R1022-D1041 WeakPolarHBondContact CD-O 3.46Å; R1022-D1041 PolarHBondContact NH1-O 3.48Å; R1038-D1041 PolarHBondContact O-N 2.83Å; R1038-D1041 VanDerWaalsContact O-N 3.09Å
1042	G	84.1	Confident	90.2	Very high	1 Å²	1	94.9 Å²	94.9	1%	0.01	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-70.4	155.7	-171.7	0	0	0	0	0	114.3	H1020 T1035 G1037 R1040	H1020-G1042 PolarHBondContact NE2-O 2.88Å; T1035-G1042 CarbonylContact O-C 3.56Å; T1035-G1042 WeakPolarHBondContact O-CA 3.44Å; G1037-G1042 WeakPolarHBondContact O-CA 3.38Å; G1037-G1042 PolarHBondContact O-N 3.33Å; R1040-G1042 PolarHBondContact O-N 2.93Å
1043	G	86.1	Confident	90.4	Very high	27 Å²	27	93.3 Å²	93.3	28%	0.278	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-77.1	165	173.8	0	0	0	0	0	112.9	T1035	T1035-G1043 PolarHBondContact O-N 2.98Å
1044	L	91.2	Very high	90.6	Very high	165 Å²	165	91.5 Å²	91.5	86%	0.864	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-80.4	142.3	163.8	-66.7	177.3	0	0	0	109.2
1045	R	91.6	Very high	90.8	Very high	207 Å²	207	93.9 Å²	93.9	78%	0.781	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-90.1	126.5	-179.5	-177.1	174.2	179.1	168.1	-2.5	109.6
1046	L	93.9	Very high	91.1	Very high	59 Å²	59	96.1 Å²	96.1	31%	0.309	50%	0.504	S	S	.	.			trans	-91.6	109.9	161.7	-160.4	155.9	0	0	0	106.7	E1050 R1051 L1054 R1066 L1067	L1046-E1050 HydrophobicContact CD2-CB 3.76Å; L1046-E1050 HydrophobicContact CG-CB 3.85Å; L1046-R1051 HydrophobicContact CD2-CB 4.28Å; L1046-L1054 HydrophobicContact CD1-CD1 4.14Å; L1046-R1066 HydrophobicContact CD1-CB 3.96Å; L1046-R1066 HydrophobicContact CD1-CG 4.17Å; L1046-L1067 HydrophobicContact CD2-CD2 4.21Å
1047	G	93.4	Very high	91.5	Very high	16 Å²	16	97.7 Å²	97.7	17%	0.165	51%	0.505	C	S	.	.			trans	-89.2	-170.7	-172.9	0	0	0	0	0	113.2	M1049 E1050 R1051	G1047-M1049 VanDerWaalsContact C-N 3.34Å; G1047-E1050 WeakPolarHBondContact CA-OE2 3.49Å; G1047-E1050 PolarHBondContact N-OE2 2.82Å; G1047-R1051 WeakPolarHBondContact O-CB 3.48Å; G1047-R1051 PolarHBondContact O-N 2.9Å; G1047-R1051 VanDerWaalsContact O-N 3.13Å
1048	E	95.3	Very high	92.1	Very high	138 Å²	138	98.2 Å²	98.2	65%	0.645	51%	0.51	S	S	*	.	H	α-helix	trans	-65.8	-39.1	178.6	-67.1	165	-167.4	0	0	111.4	R1051 D1052	E1048-R1051 WeakPolarHBondContact O-CB 3.1Å; E1048-R1051 PolarHBondContact O-N 2.88Å; E1048-D1052 VanDerWaalsContact O-CG 3.23Å; E1048-D1052 PolarHBondContact O-N 3.24Å; E1048-D1052 VanDerWaalsContact O-N 3.1Å
1049	M	96.3	Very high	92.8	Very high	152 Å²	152	94.8 Å²	94.8	75%	0.749	50%	0.504	S	S	*	.	H	α-helix	trans	-68.2	-44.5	179.8	-62.7	-175.7	73.7	0	0	111.8	G1047 R1051 D1052 C1053	G1047-M1049 VanDerWaalsContact C-N 3.34Å; M1049-R1051 VanDerWaalsContact C-N 3.29Å; M1049-R1051 PolarHBondContact O-N 3.44Å; M1049-D1052 PolarHBondContact O-N 3.27Å; M1049-C1053 PolarHBondContact O-N 2.96Å; M1049-C1053 VanDerWaalsContact O-N 3.09Å; M1049-C1053 PolarHBondContact O-SG 3.03Å
1050	E	95.8	Very high	93.5	Very high	99 Å²	99	92.7 Å²	92.7	46%	0.463	49%	0.489	S	S	.	.	H	α-helix	trans	-65.8	-35.3	178.2	-65	78.1	-168.4	0	0	111.8	L1046 G1047 C1053 L1054	L1046-E1050 HydrophobicContact CD2-CB 3.76Å; L1046-E1050 HydrophobicContact CG-CB 3.85Å; G1047-E1050 WeakPolarHBondContact CA-OE2 3.49Å; G1047-E1050 PolarHBondContact N-OE2 2.82Å; E1050-C1053 WeakPolarHBondContact O-CB 3.49Å; E1050-C1053 PolarHBondContact O-N 2.83Å; E1050-L1054 WeakPolarHBondContact O-CG 3.28Å; E1050-L1054 PolarHBondContact O-N 2.96Å; E1050-L1054 VanDerWaalsContact O-N 3.1Å
1051	R	96.1	Very high	94.1	Very high	98 Å²	98	90.2 Å²	90.2	37%	0.37	49%	0.487	S	S	.	.	H	α-helix	trans	-58.5	-48.3	172.3	-179.4	-157.1	67.8	-167.1	-2.1	110.8	L1046 G1047 E1048 M1049 C1053 L1054 I1055 L1063 L1067	L1046-R1051 HydrophobicContact CD2-CB 4.28Å; G1047-R1051 WeakPolarHBondContact O-CB 3.48Å; G1047-R1051 PolarHBondContact O-N 2.9Å; G1047-R1051 VanDerWaalsContact O-N 3.13Å; E1048-R1051 WeakPolarHBondContact O-CB 3.1Å; E1048-R1051 PolarHBondContact O-N 2.88Å; M1049-R1051 VanDerWaalsContact C-N 3.29Å; M1049-R1051 PolarHBondContact O-N 3.44Å; R1051-C1053 VanDerWaalsContact C-N 3.27Å; R1051-C1053 PolarHBondContact O-N 2.73Å; R1051-L1054 PolarHBondContact O-N 2.66Å; R1051-L1054 VanDerWaalsContact O-N 3.1Å; R1051-I1055 HydrophobicContact CG-CD1 3.99Å; R1051-I1055 WeakPolarHBondContact O-CG1 3.43Å; R1051-I1055 PolarHBondContact O-N 2.79Å; R1051-L1063 HydrophobicContact CG-CD1 3.85Å; R1051-L1067 HydrophobicContact CG-CD1 4.14Å
1052	D	97.2	Very high	94.8	Very high	83 Å²	83	90.7 Å²	90.7	44%	0.444	49%	0.49	S	S	.	.	H	α-helix	trans	-64.1	-35	-178.5	-65.2	-10.9	0	0	0	111.4	E1048 M1049 I1055 G1056	E1048-D1052 VanDerWaalsContact O-CG 3.23Å; E1048-D1052 PolarHBondContact O-N 3.24Å; E1048-D1052 VanDerWaalsContact O-N 3.1Å; M1049-D1052 PolarHBondContact O-N 3.27Å; D1052-I1055 PolarHBondContact O-N 2.97Å; D1052-G1056 PolarHBondContact O-N 3.03Å
1053	C	97.4	Very high	95.4	Very high	76 Å²	76	92.4 Å²	92.4	51%	0.514	50%	0.498	S	S	.	.	H	α-helix	trans	-59.9	-47.5	170.1	-62.6	0	0	0	0	112.1	M1049 E1050 R1051 I1055 G1056 Y1057	M1049-C1053 PolarHBondContact O-N 2.96Å; M1049-C1053 VanDerWaalsContact O-N 3.09Å; M1049-C1053 PolarHBondContact O-SG 3.03Å; E1050-C1053 WeakPolarHBondContact O-CB 3.49Å; E1050-C1053 PolarHBondContact O-N 2.83Å; R1051-C1053 VanDerWaalsContact C-N 3.27Å; R1051-C1053 PolarHBondContact O-N 2.73Å; C1053-I1055 VanDerWaalsContact C-N 3.31Å; C1053-I1055 PolarHBondContact O-N 3.12Å; C1053-G1056 WeakPolarHBondContact O-CA 3.45Å; C1053-G1056 PolarHBondContact O-N 2.82Å; C1053-G1056 VanDerWaalsContact O-N 3.11Å; C1053-Y1057 WeakPolarHBondContact O-CD2 3.47Å; C1053-Y1057 PolarHBondContact O-N 3.15Å; C1053-Y1057 VanDerWaalsContact O-N 3.11Å
1054	L	96.5	Very high	95.9	Very high	31 Å²	31	94.9 Å²	94.9	16%	0.162	51%	0.505	C	S	.	.	H	α-helix	trans	-64	-35.9	179.2	-69	-179.6	0	0	0	112.9	L1046 E1050 R1051 Y1057 G1058 A1059 L1062 L1063	L1046-L1054 HydrophobicContact CD1-CD1 4.14Å; E1050-L1054 WeakPolarHBondContact O-CG 3.28Å; E1050-L1054 PolarHBondContact O-N 2.96Å; E1050-L1054 VanDerWaalsContact O-N 3.1Å; R1051-L1054 PolarHBondContact O-N 2.66Å; R1051-L1054 VanDerWaalsContact O-N 3.1Å; L1054-Y1057 PolarHBondContact O-N 2.98Å; L1054-G1058 PolarHBondContact O-N 3.43Å; L1054-A1059 PolarHBondContact O-N 2.79Å; L1054-L1062 HydrophobicContact CD2-CD2 3.72Å; L1054-L1062 HydrophobicContact CD2-CG 4.4Å; L1054-L1063 HydrophobicContact CB-CD1 4.08Å; L1054-L1063 HydrophobicContact CD1-CD1 4.07Å
1055	I	97.1	Very high	96.2	Very high	93 Å²	93	89.2 Å²	89.2	48%	0.477	47%	0.474	S	S	.	.	H	α-helix	trans	-64.7	-42.4	172.5	-66.2	167.3	0	0	0	110	R1051 D1052 C1053 Y1057 G1058 L1063	R1051-I1055 HydrophobicContact CG-CD1 3.99Å; R1051-I1055 WeakPolarHBondContact O-CG1 3.43Å; R1051-I1055 PolarHBondContact O-N 2.79Å; D1052-I1055 PolarHBondContact O-N 2.97Å; C1053-I1055 VanDerWaalsContact C-N 3.31Å; C1053-I1055 PolarHBondContact O-N 3.12Å; I1055-Y1057 PolarHBondContact O-N 3.29Å; I1055-G1058 WeakPolarHBondContact O-CA 3.41Å; I1055-G1058 PolarHBondContact O-N 3.39Å; I1055-L1063 HydrophobicContact CD1-CD2 4.46Å; I1055-L1063 HydrophobicContact CG1-CD2 3.95Å
1056	G	97.4	Very high	96.3	Very high	70 Å²	70	85.1 Å²	85.1	72%	0.722	46%	0.458	S	S	*	.	H	α-helix	trans	-59.5	-32.2	176.1	0	0	0	0	0	113.9	D1052 C1053 G1058	D1052-G1056 PolarHBondContact O-N 3.03Å; C1053-G1056 WeakPolarHBondContact O-CA 3.45Å; C1053-G1056 PolarHBondContact O-N 2.82Å; C1053-G1056 VanDerWaalsContact O-N 3.11Å; G1056-G1058 VanDerWaalsContact C-N 3.31Å
1057	Y	97.1	Very high	96.4	Very high	199 Å²	199	85.6 Å²	85.6	78%	0.78	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.5	171.3	-77.6	-72.6	0	0	0	114.1	C1053 L1054 I1055 A1059	C1053-Y1057 WeakPolarHBondContact O-CD2 3.47Å; C1053-Y1057 PolarHBondContact O-N 3.15Å; C1053-Y1057 VanDerWaalsContact O-N 3.11Å; L1054-Y1057 PolarHBondContact O-N 2.98Å; I1055-Y1057 PolarHBondContact O-N 3.29Å; Y1057-A1059 PolarHBondContact O-N 3.24Å
1058	G	96.7	Very high	96.5	Very high	59 Å²	59	86.1 Å²	86.1	61%	0.608	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	16.7	-173.3	0	0	0	0	0	114.2	L1054 I1055 G1056 S1060	L1054-G1058 PolarHBondContact O-N 3.43Å; I1055-G1058 WeakPolarHBondContact O-CA 3.41Å; I1055-G1058 PolarHBondContact O-N 3.39Å; G1056-G1058 VanDerWaalsContact C-N 3.31Å; G1058-S1060 VanDerWaalsContact C-N 3.27Å; G1058-S1060 PolarHBondContact O-N 3.24Å
1059	A	97.3	Very high	96.5	Very high	32 Å²	32	83.6 Å²	83.6	26%	0.264	45%	0.45	S	S	.	.			trans	-81.7	65.3	-174.1	0	0	0	0	0	112.3	L1054 Y1057 M1061 L1062 L1063	L1054-A1059 PolarHBondContact O-N 2.79Å; Y1057-A1059 PolarHBondContact O-N 3.24Å; A1059-M1061 PolarHBondContact O-N 2.91Å; A1059-L1062 HydrophobicContact CB-CB 4.08Å; A1059-L1062 HydrophobicContact CB-CD2 4.44Å; A1059-L1062 PolarHBondContact O-N 3.19Å; A1059-L1063 PolarHBondContact O-N 3Å
1060	S	96.6	Very high	96.4	Very high	86 Å²	86	79.6 Å²	79.6	60%	0.601	44%	0.436	S	S	*	.	H	α-helix	trans	-58.4	-42.3	-173.1	61.7	0	0	0	0	114	G1058 L1063 L1064	G1058-S1060 VanDerWaalsContact C-N 3.27Å; G1058-S1060 PolarHBondContact O-N 3.24Å; S1060-L1063 WeakPolarHBondContact O-CB 3.39Å; S1060-L1063 PolarHBondContact O-N 2.97Å; S1060-L1064 PolarHBondContact O-N 3.28Å
1061	M	96.9	Very high	96.2	Very high	135 Å²	135	76.1 Å²	76.1	67%	0.665	42%	0.423	S	S	*	.	H	α-helix	trans	-69.3	-35.3	179.8	-67.8	-56.1	-65.5	0	0	112.6	A1059 L1063 L1064 E1065	A1059-M1061 PolarHBondContact O-N 2.91Å; M1061-L1063 VanDerWaalsContact C-N 3.31Å; M1061-L1064 HydrophobicContact CE-CD2 4.34Å; M1061-L1064 PolarHBondContact O-N 3.07Å; M1061-E1065 VanDerWaalsContact O-CB 3.31Å; M1061-E1065 WeakPolarHBondContact O-CB 3.44Å; M1061-E1065 PolarHBondContact O-N 3.4Å
1062	L	97.4	Very high	96.2	Very high	78 Å²	78	71.6 Å²	71.6	41%	0.408	41%	0.406	S	S	.	.	H	α-helix	trans	-66.7	-37.7	174	-179.6	60	0	0	0	110.8	L1054 A1059 E1065 R1066	L1054-L1062 HydrophobicContact CD2-CD2 3.72Å; L1054-L1062 HydrophobicContact CD2-CG 4.4Å; A1059-L1062 HydrophobicContact CB-CB 4.08Å; A1059-L1062 HydrophobicContact CB-CD2 4.44Å; A1059-L1062 PolarHBondContact O-N 3.19Å; L1062-E1065 PolarHBondContact O-N 2.91Å; L1062-R1066 HydrophobicContact CD1-CG 3.89Å; L1062-R1066 HydrophobicContact CG-CG 4.34Å; L1062-R1066 WeakPolarHBondContact O-CB 3.04Å; L1062-R1066 WeakPolarHBondContact O-CG 3.47Å; L1062-R1066 PolarHBondContact O-N 3.07Å
1063	L	96.3	Very high	96.2	Very high	38 Å²	38	69.8 Å²	69.8	20%	0.199	40%	0.403	C	S	.	.	H	α-helix	trans	-62.5	-47.7	175.6	-166.2	69.1	0	0	0	111.6	R1051 L1054 I1055 A1059 S1060 M1061 E1065 L1067	R1051-L1063 HydrophobicContact CG-CD1 3.85Å; L1054-L1063 HydrophobicContact CB-CD1 4.08Å; L1054-L1063 HydrophobicContact CD1-CD1 4.07Å; I1055-L1063 HydrophobicContact CD1-CD2 4.46Å; I1055-L1063 HydrophobicContact CG1-CD2 3.95Å; A1059-L1063 PolarHBondContact O-N 3Å; S1060-L1063 WeakPolarHBondContact O-CB 3.39Å; S1060-L1063 PolarHBondContact O-N 2.97Å; M1061-L1063 VanDerWaalsContact C-N 3.31Å; L1063-E1065 VanDerWaalsContact C-N 3.31Å; L1063-E1065 PolarHBondContact O-N 3.38Å; L1063-L1067 HydrophobicContact CD1-CD1 3.59Å; L1063-L1067 HydrophobicContact CD1-CG 4.29Å; L1063-L1067 HydrophobicContact CG-CD1 3.89Å; L1063-L1067 WeakPolarHBondContact O-CB 3.26Å; L1063-L1067 PolarHBondContact O-N 2.84Å
1064	L	96.6	Very high	96.1	Very high	78 Å²	78	69.4 Å²	69.4	41%	0.408	39%	0.393	S	S	.	.	H	α-helix	trans	-59.4	-43.9	175.6	-178.8	66.5	0	0	0	111.1	S1060 M1061 M1068 I1069	S1060-L1064 PolarHBondContact O-N 3.28Å; M1061-L1064 HydrophobicContact CE-CD2 4.34Å; M1061-L1064 PolarHBondContact O-N 3.07Å; L1064-M1068 HydrophobicContact CD1-CB 4.27Å; L1064-M1068 HydrophobicContact CD1-SD 3.78Å; L1064-M1068 VanDerWaalsContact O-CB 3.31Å; L1064-M1068 WeakPolarHBondContact O-CB 3.34Å; L1064-M1068 PolarHBondContact O-N 3.34Å; L1064-I1069 PolarHBondContact O-N 3.31Å
1065	E	96.6	Very high	96	Very high	47 Å²	47	74.3 Å²	74.3	22%	0.22	42%	0.415	C	S	.	.	I	π-helix	trans	-68.3	-47	-177.4	-170.4	-76.8	146.2	0	0	111.9	M1061 L1062 L1063 I1069 S1070	M1061-E1065 VanDerWaalsContact O-CB 3.31Å; M1061-E1065 WeakPolarHBondContact O-CB 3.44Å; M1061-E1065 PolarHBondContact O-N 3.4Å; L1062-E1065 PolarHBondContact O-N 2.91Å; L1063-E1065 VanDerWaalsContact C-N 3.31Å; L1063-E1065 PolarHBondContact O-N 3.38Å; E1065-I1069 HydrophobicContact CB-CD1 4.21Å; E1065-I1069 HydrophobicContact CG-CB 4.29Å; E1065-I1069 HydrophobicContact CG-CD1 4.26Å; E1065-I1069 PolarHBondContact O-N 2.76Å; E1065-S1070 WeakPolarHBondContact O-CB 3.1Å; E1065-S1070 PolarHBondContact O-N 2.94Å; E1065-S1070 WeakPolarHBondContact OE1-CB 3.49Å; E1065-S1070 PolarHBondContact OE1-OG 3.35Å
1066	R	94.6	Very high	95.9	Very high	120 Å²	120	70.3 Å²	70.3	45%	0.453	40%	0.395	S	S	.	.	I	π-helix	trans	-69.8	-42.5	-179.6	-70	-68.4	95.8	166	8	113.2	L1046 L1062	L1046-R1066 HydrophobicContact CD1-CB 3.96Å; L1046-R1066 HydrophobicContact CD1-CG 4.17Å; L1062-R1066 HydrophobicContact CD1-CG 3.89Å; L1062-R1066 HydrophobicContact CG-CG 4.34Å; L1062-R1066 WeakPolarHBondContact O-CB 3.04Å; L1062-R1066 WeakPolarHBondContact O-CG 3.47Å; L1062-R1066 PolarHBondContact O-N 3.07Å
1067	L	95.5	Very high	95.8	Very high	69 Å²	69	68.3 Å²	68.3	36%	0.361	37%	0.367	S	S	.	.	I	π-helix	trans	-87.1	-24.7	-173.2	-68	178.4	0	0	0	114.1	L1046 R1051 L1063	L1046-L1067 HydrophobicContact CD2-CD2 4.21Å; R1051-L1067 HydrophobicContact CG-CD1 4.14Å; L1063-L1067 HydrophobicContact CD1-CD1 3.59Å; L1063-L1067 HydrophobicContact CD1-CG 4.29Å; L1063-L1067 HydrophobicContact CG-CD1 3.89Å; L1063-L1067 WeakPolarHBondContact O-CB 3.26Å; L1063-L1067 PolarHBondContact O-N 2.84Å
1068	M	95.4	Very high	95.7	Very high	27 Å²	27	58.8 Å²	58.8	13%	0.133	33%	0.33	C	S	.	.	I	π-helix	trans	-116.5	-61.6	-178.7	179.4	178.5	166.7	0	0	111.7	L1064 S1070 S1071 D1072 A1073 R1104 P1106	L1064-M1068 HydrophobicContact CD1-CB 4.27Å; L1064-M1068 HydrophobicContact CD1-SD 3.78Å; L1064-M1068 VanDerWaalsContact O-CB 3.31Å; L1064-M1068 WeakPolarHBondContact O-CB 3.34Å; L1064-M1068 PolarHBondContact O-N 3.34Å; M1068-S1070 PolarHBondContact O-N 2.94Å; M1068-S1071 PolarHBondContact O-N 2.87Å; M1068-D1072 PolarHBondContact O-N 2.64Å; M1068-A1073 HydrophobicContact CG-CB 4.4Å; M1068-A1073 WeakPolarHBondContact O-CB 3.41Å; M1068-A1073 PolarHBondContact O-N 3.43Å; M1068-R1104 VanDerWaalsContact CE-C 3.41Å; M1068-R1104 HydrophobicContact CE-CB 3.72Å; M1068-R1104 WeakPolarHBondContact CE-O 3.42Å; M1068-P1106 HydrophobicContact CB-CG 4.22Å; M1068-P1106 HydrophobicContact CG-CG 3.91Å; M1068-P1106 HydrophobicContact SD-CG 4.11Å
1069	I	95.4	Very high	95.6	Very high	86 Å²	86	56 Å²	56	44%	0.441	30%	0.301	S	S	.	.	I	π-helix	trans	-62.6	-50.2	-169.8	-57.4	177.9	0	0	0	111.7	L1064 E1065 S1071	L1064-I1069 PolarHBondContact O-N 3.31Å; E1065-I1069 HydrophobicContact CB-CD1 4.21Å; E1065-I1069 HydrophobicContact CG-CB 4.29Å; E1065-I1069 HydrophobicContact CG-CD1 4.26Å; E1065-I1069 PolarHBondContact O-N 2.76Å; I1069-S1071 VanDerWaalsContact C-N 3.32Å; I1069-S1071 PolarHBondContact O-N 2.99Å
1070	S	93.9	Very high	95.3	Very high	67 Å²	67	57 Å²	57	47%	0.469	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	1.9	-177.3	-82.5	0	0	0	0	114.5	E1065 M1068	E1065-S1070 WeakPolarHBondContact O-CB 3.1Å; E1065-S1070 PolarHBondContact O-N 2.94Å; E1065-S1070 WeakPolarHBondContact OE1-CB 3.49Å; E1065-S1070 PolarHBondContact OE1-OG 3.35Å; M1068-S1070 PolarHBondContact O-N 2.94Å
1071	S	92.9	Very high	95	Very high	26 Å²	26	59.1 Å²	59.1	18%	0.182	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-77.9	-179.4	-174.8	0	0	0	0	111.4	R1027 M1068 I1069	R1027-S1071 PolarHBondContact NH1-O 2.89Å; R1027-S1071 PolarHBondContact NH2-O 2.62Å; M1068-S1071 PolarHBondContact O-N 2.87Å; I1069-S1071 VanDerWaalsContact C-N 3.32Å; I1069-S1071 PolarHBondContact O-N 2.99Å
1072	D	95.3	Very high	94.7	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.5	30.8	-165.5	70.3	-24	0	0	0	113.5	Q1033 M1068 F1074 Y1107 A1108	Q1033-D1072 HydrophobicContact CG-CB 4.05Å; M1068-D1072 PolarHBondContact O-N 2.64Å; D1072-F1074 PolarHBondContact O-N 2.98Å; D1072-Y1107 VanDerWaalsContact O-CB 3.31Å; D1072-Y1107 WeakPolarHBondContact O-CB 3.28Å; D1072-Y1107 PolarHBondContact O-N 3Å; D1072-Y1107 PolarHBondContact OD2-N 3.48Å; D1072-A1108 WeakPolarHBondContact OD2-CB 3.44Å; D1072-A1108 PolarHBondContact OD2-N 3.42Å
1073	A	96.4	Very high	94.5	Very high	45 Å²	45	49.6 Å²	49.6	37%	0.372	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.4	130.3	173.1	0	0	0	0	0	112	M1068	M1068-A1073 HydrophobicContact CG-CB 4.4Å; M1068-A1073 WeakPolarHBondContact O-CB 3.41Å; M1068-A1073 PolarHBondContact O-N 3.43Å
1074	F	95.9	Very high	94.4	Very high	68 Å²	68	48.9 Å²	48.9	30%	0.298	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	147.2	-178.2	-166.4	-112.8	0	0	0	110.5	D1072 V1076 R1104 I1105 Y1107	D1072-F1074 PolarHBondContact O-N 2.98Å; F1074-V1076 HydrophobicContact CD1-CG1 3.49Å; F1074-V1076 VanDerWaalsContact CD1-CG1 3.49Å; F1074-V1076 HydrophobicContact CE1-CG1 3.73Å; F1074-R1104 WeakPolarHBondContact O-CA 3.37Å; F1074-I1105 PolarHBondContact N-O 3.43Å; F1074-I1105 PolarHBondContact O-N 2.88Å; F1074-Y1107 HydrophobicContact CB-CD2 4.14Å; F1074-Y1107 AromaticContact CD1-CD2 3.85Å; F1074-Y1107 HydrophobicContact CD1-CD2 3.85Å; F1074-Y1107 HydrophobicContact CD1-CE2 4.43Å; F1074-Y1107 AromaticContact CD2-CD2 3.98Å; F1074-Y1107 HydrophobicContact CD2-CD2 3.98Å; F1074-Y1107 HydrophobicContact CE1-CD2 4.27Å; F1074-Y1107 HydrophobicContact CE1-CE2 4.41Å; F1074-Y1107 HydrophobicContact CE2-CD2 4.39Å; F1074-Y1107 AromaticContact CG-CD2 3.72Å; F1074-Y1107 HydrophobicContact CG-CD2 3.72Å; F1074-Y1107 HydrophobicContact CZ-CE2 4.48Å
1075	E	95.4	Very high	94.3	Very high	133 Å²	133	47.1 Å²	47.1	62%	0.621	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.6	174.3	-78.4	173.9	-173.3	0	0	109	R1104	E1075-R1104 HydrophobicContact CG-CG 3.61Å
1076	V	95	Very high	94	Very high	10 Å²	10	45.8 Å²	45.8	6%	0.061	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.9	178.4	-62.8	0	0	0	0	110.4	F1074 V1078 L1085 S1102 L1103 I1105 K1110	F1074-V1076 HydrophobicContact CD1-CG1 3.49Å; F1074-V1076 VanDerWaalsContact CD1-CG1 3.49Å; F1074-V1076 HydrophobicContact CE1-CG1 3.73Å; V1076-V1078 HydrophobicContact CG2-CG2 3.92Å; V1076-L1085 HydrophobicContact CB-CD2 4.33Å; V1076-L1085 HydrophobicContact CG2-CD2 4.15Å; V1076-S1102 CarbonylContact O-C 3.52Å; V1076-S1102 WeakPolarHBondContact O-CA 3.41Å; V1076-L1103 HydrophobicContact CG2-CB 4.29Å; V1076-L1103 PolarHBondContact N-O 3.07Å; V1076-L1103 PolarHBondContact O-N 2.98Å; V1076-I1105 HydrophobicContact CB-CG2 4.4Å; V1076-I1105 HydrophobicContact CG1-CG2 3.83Å; V1076-I1105 HydrophobicContact CG2-CB 4.49Å; V1076-I1105 HydrophobicContact CG2-CG2 3.62Å; V1076-K1110 HydrophobicContact CG1-CB 4.18Å; V1076-K1110 HydrophobicContact CG1-CG 3.77Å
1077	D	95.5	Very high	93.9	Very high	27 Å²	27	46.5 Å²	46.5	14%	0.144	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.2	170.4	-69.8	-27.4	0	0	0	109.4	L1085 G1086 S1088 G1089 V1100 S1102	D1077-L1085 CarbonylContact O-C 3.56Å; D1077-L1085 VanDerWaalsContact O-CA 3.3Å; D1077-L1085 WeakPolarHBondContact O-CA 3.4Å; D1077-G1086 PolarHBondContact O-N 3.48Å; D1077-S1088 PolarHBondContact OD2-N 2.98Å; D1077-S1088 VanDerWaalsContact OD2-N 3.1Å; D1077-G1089 PolarHBondContact OD2-N 3.1Å; D1077-V1100 HydrophobicContact CB-CG1 3.61Å; D1077-S1102 PolarHBondContact OD1-OG 2.96Å
1078	V	95.3	Very high	93.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.2	-179.5	-175	0	0	0	0	109	V1076 L1085 S1101 L1103 L1125 L1127	V1076-V1078 HydrophobicContact CG2-CG2 3.92Å; V1078-L1085 HydrophobicContact CG2-CD2 3.83Å; V1078-S1101 PolarHBondContact N-O 3.22Å; V1078-S1101 PolarHBondContact O-N 3.36Å; V1078-L1103 HydrophobicContact CG2-CB 4.22Å; V1078-L1103 HydrophobicContact CG2-CD2 4.44Å; V1078-L1125 HydrophobicContact CG1-CB 3.97Å; V1078-L1125 HydrophobicContact CG1-CD1 3.9Å; V1078-L1125 HydrophobicContact CG2-CD1 4Å; V1078-L1127 HydrophobicContact CB-CD1 4.02Å; V1078-L1127 HydrophobicContact CG1-CD1 4.05Å; V1078-L1127 HydrophobicContact CG1-CG 4.42Å
1079	C	94.2	Very high	93.5	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	121.5	175.1	-177.3	0	0	0	0	110.9	Q1081 C1082 G1083 L1084 C1091 H1099	C1079-Q1081 PolarHBondContact O-N 3.21Å; C1079-C1082 VanDerWaalsContact CB-SG 3.52Å; C1079-C1082 VanDerWaalsContact SG-SG 3.68Å; C1079-G1083 WeakPolarHBondContact O-CA 3.43Å; C1079-G1083 PolarHBondContact O-N 3.09Å; C1079-L1084 PolarHBondContact N-O 2.85Å; C1079-C1091 HydrophobicContact CB-CB 3.93Å; C1079-C1091 VanDerWaalsContact CB-SG 3.59Å; C1079-H1099 CarbonylContact C-O 3.59Å; C1079-H1099 WeakPolarHBondContact CA-O 3.26Å
1080	G	90	Very high	93.4	Very high	51 Å²	51	49.4 Å²	49.4	53%	0.526	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.4	178.9	0	0	0	0	0	114.9	H1099	G1080-H1099 PolarHBondContact N-O 3.48Å
1081	Q	90.9	Very high	93.3	Very high	131 Å²	131	46.3 Å²	46.3	61%	0.612	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-52.9	179	-170.1	-175.9	7.9	0	0	112.5	C1079 H1099	C1079-Q1081 PolarHBondContact O-N 3.21Å; Q1081-H1099 HydrophobicContact CB-CB 4.45Å; Q1081-H1099 PolarHBondContact OE1-CD2 3.1Å
1082	C	90.8	Very high	93.3	Very high	11 Å²	11	50.9 Å²	50.9	7%	0.074	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-13.5	-176.5	69.2	0	0	0	0	113.9	C1079 L1084 Y1093 R1124	C1079-C1082 VanDerWaalsContact CB-SG 3.52Å; C1079-C1082 VanDerWaalsContact SG-SG 3.68Å; C1082-L1084 HydrophobicContact CB-CG 4.47Å; C1082-L1084 PolarHBondContact O-N 2.57Å; C1082-Y1093 HydrophobicContact CB-CD1 3.94Å; C1082-Y1093 HydrophobicContact CB-CE1 4.43Å; C1082-R1124 PolarHBondContact O-NH1 3.49Å
1083	G	91.8	Very high	93.1	Very high	2 Å²	2	58.1 Å²	58.1	2%	0.021	31%	0.308	C	S	.	.			trans	72.9	11.2	179.6	0	0	0	0	0	114.7	C1079 L1125	C1079-G1083 WeakPolarHBondContact O-CA 3.43Å; C1079-G1083 PolarHBondContact O-N 3.09Å; G1083-L1125 WeakPolarHBondContact CA-O 3.49Å; G1083-L1125 PolarHBondContact O-N 2.97Å
1084	L	94.4	Very high	92.8	Very high	23 Å²	23	57.9 Å²	57.9	12%	0.12	30%	0.303	C	S	.	.			trans	-94.9	158.5	-178.5	-58.9	177.4	0	0	0	111.8	C1079 C1082 Y1093 I1122	C1079-L1084 PolarHBondContact N-O 2.85Å; C1082-L1084 HydrophobicContact CB-CG 4.47Å; C1082-L1084 PolarHBondContact O-N 2.57Å; L1084-Y1093 HydrophobicContact CD1-CD1 4.37Å; L1084-Y1093 HydrophobicContact CD1-CD2 3.77Å; L1084-Y1093 HydrophobicContact CD1-CE2 4.38Å; L1084-Y1093 HydrophobicContact CD1-CG 3.76Å; L1084-I1122 HydrophobicContact CD2-CG2 3.49Å; L1084-I1122 VanDerWaalsContact CD2-CG2 3.49Å
1085	L	94.8	Very high	92.6	Very high	42 Å²	42	62.1 Å²	62.1	22%	0.22	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	132.4	173.4	-55.5	-177.7	0	0	0	110.5	V1076 D1077 V1078 K1110 F1113 L1125	V1076-L1085 HydrophobicContact CB-CD2 4.33Å; V1076-L1085 HydrophobicContact CG2-CD2 4.15Å; D1077-L1085 CarbonylContact O-C 3.56Å; D1077-L1085 VanDerWaalsContact O-CA 3.3Å; D1077-L1085 WeakPolarHBondContact O-CA 3.4Å; V1078-L1085 HydrophobicContact CG2-CD2 3.83Å; L1085-K1110 HydrophobicContact CD1-CG 3.96Å; L1085-F1113 HydrophobicContact CD1-CB 4.46Å; L1085-L1125 HydrophobicContact CD2-CD1 4.35Å
1086	G	91.4	Very high	92.4	Very high	18 Å²	18	57 Å²	57	19%	0.186	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-170.9	171.2	0	0	0	0	0	112	D1077 W1090	D1077-G1086 PolarHBondContact O-N 3.48Å; G1086-W1090 WeakPolarHBondContact CA-O 3.31Å
1087	Y	92.3	Very high	92.2	Very high	136 Å²	136	60.2 Å²	60.2	53%	0.533	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-143.9	142.5	171.7	61	-89.4	0	0	0	110	G1089 W1090 H1092	Y1087-G1089 VanDerWaalsContact C-N 3.29Å; Y1087-G1089 PolarHBondContact O-N 3.27Å; Y1087-W1090 PolarHBondContact N-O 3.22Å; Y1087-W1090 VanDerWaalsContact N-O 3.11Å; Y1087-W1090 WeakPolarHBondContact O-CB 3.43Å; Y1087-W1090 PolarHBondContact O-N 3.05Å; Y1087-H1092 HydrophobicContact CE1-CB 4.32Å
1088	S	90.8	Very high	91.9	Very high	115 Å²	115	63.4 Å²	63.4	80%	0.804	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	41.4	175	-57.9	0	0	0	0	113.7	D1077 W1090	D1077-S1088 PolarHBondContact OD2-N 2.98Å; D1077-S1088 VanDerWaalsContact OD2-N 3.1Å; S1088-W1090 PolarHBondContact O-N 3.45Å
1089	G	91.6	Very high	91.5	Very high	31 Å²	31	67.5 Å²	67.5	32%	0.32	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	14.9	-179.2	0	0	0	0	0	114.6	D1077 Y1087 S1097	D1077-G1089 PolarHBondContact OD2-N 3.1Å; Y1087-G1089 VanDerWaalsContact C-N 3.29Å; Y1087-G1089 PolarHBondContact O-N 3.27Å; G1089-S1097 WeakPolarHBondContact O-CB 3.33Å
1090	W	92.7	Very high	91.4	Very high	97 Å²	97	68.9 Å²	68.9	37%	0.367	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-122.8	130.1	-177	-179.3	-101.5	0	0	0	112.3	G1086 Y1087 S1088 K1095	G1086-W1090 WeakPolarHBondContact CA-O 3.31Å; Y1087-W1090 PolarHBondContact N-O 3.22Å; Y1087-W1090 VanDerWaalsContact N-O 3.11Å; Y1087-W1090 WeakPolarHBondContact O-CB 3.43Å; Y1087-W1090 PolarHBondContact O-N 3.05Å; S1088-W1090 PolarHBondContact O-N 3.45Å; W1090-K1095 HydrophobicContact CH2-CB 4.41Å; W1090-K1095 WeakPolarHBondContact CH2-O 3.35Å; W1090-K1095 VanDerWaalsContact CZ2-C 3.43Å; W1090-K1095 VanDerWaalsContact CZ2-CA 3.49Å; W1090-K1095 HydrophobicContact CZ2-CB 3.95Å
1091	C	92.7	Very high	91.5	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.014	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-94.5	109.7	170.6	-178.8	0	0	0	0	110.1	C1079 Y1093 C1094 K1095 S1096 V1100	C1079-C1091 HydrophobicContact CB-CB 3.93Å; C1079-C1091 VanDerWaalsContact CB-SG 3.59Å; C1091-Y1093 VanDerWaalsContact C-N 3.29Å; C1091-Y1093 PolarHBondContact O-N 3.45Å; C1091-C1094 HydrophobicContact CB-CB 4.4Å; C1091-C1094 PolarHBondContact SG-N 2.87Å; C1091-K1095 VanDerWaalsContact O-CA 3.24Å; C1091-K1095 WeakPolarHBondContact O-CA 3.2Å; C1091-K1095 PolarHBondContact O-N 3.26Å; C1091-S1096 WeakPolarHBondContact CB-O 3.45Å; C1091-S1096 PolarHBondContact N-O 3.31Å; C1091-S1096 PolarHBondContact O-N 2.88Å; C1091-V1100 HydrophobicContact CB-CG2 4.08Å
1092	H	91.6	Very high	91.6	Very high	121 Å²	121	67.5 Å²	67.5	56%	0.56	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-28.6	-179.8	-159.4	78.8	0	0	0	113.3	Y1087 K1095	Y1087-H1092 HydrophobicContact CE1-CB 4.32Å; H1092-K1095 WeakPolarHBondContact O-CG 3.49Å
1093	Y	91.3	Very high	91.7	Very high	156 Å²	156	69.9 Å²	69.9	61%	0.612	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-47.5	-179.6	-169.3	-90	0	0	0	112.1	C1082 L1084 C1091	C1082-Y1093 HydrophobicContact CB-CD1 3.94Å; C1082-Y1093 HydrophobicContact CB-CE1 4.43Å; L1084-Y1093 HydrophobicContact CD1-CD1 4.37Å; L1084-Y1093 HydrophobicContact CD1-CD2 3.77Å; L1084-Y1093 HydrophobicContact CD1-CE2 4.38Å; L1084-Y1093 HydrophobicContact CD1-CG 3.76Å; C1091-Y1093 VanDerWaalsContact C-N 3.29Å; C1091-Y1093 PolarHBondContact O-N 3.45Å
1094	C	90.6	Very high	91.8	Very high	40 Å²	40	77.7 Å²	77.7	27%	0.27	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-11.5	177.9	-61.2	0	0	0	0	113.2	C1091 S1096	C1091-C1094 HydrophobicContact CB-CB 4.4Å; C1091-C1094 PolarHBondContact SG-N 2.87Å; C1094-S1096 VanDerWaalsContact C-N 3.25Å; C1094-S1096 PolarHBondContact O-N 3.05Å
1095	K	91.9	Very high	91.9	Very high	157 Å²	157	77.4 Å²	77.4	68%	0.683	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	43.7	-172.7	-57.9	-175.2	-179.9	-177.4	0	112.7	W1090 C1091 H1092	W1090-K1095 HydrophobicContact CH2-CB 4.41Å; W1090-K1095 WeakPolarHBondContact CH2-O 3.35Å; W1090-K1095 VanDerWaalsContact CZ2-C 3.43Å; W1090-K1095 VanDerWaalsContact CZ2-CA 3.49Å; W1090-K1095 HydrophobicContact CZ2-CB 3.95Å; C1091-K1095 VanDerWaalsContact O-CA 3.24Å; C1091-K1095 WeakPolarHBondContact O-CA 3.2Å; C1091-K1095 PolarHBondContact O-N 3.26Å; H1092-K1095 WeakPolarHBondContact O-CG 3.49Å
1096	S	91.6	Very high	92	Very high	25 Å²	25	77.2 Å²	77.2	18%	0.175	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-143.3	156.3	179.6	71.3	0	0	0	0	111.8	C1091 C1094	C1091-S1096 WeakPolarHBondContact CB-O 3.45Å; C1091-S1096 PolarHBondContact N-O 3.31Å; C1091-S1096 PolarHBondContact O-N 2.88Å; C1094-S1096 VanDerWaalsContact C-N 3.25Å; C1094-S1096 PolarHBondContact O-N 3.05Å
1097	S	90.9	Very high	92.3	Very high	78 Å²	78	77.4 Å²	77.4	55%	0.545	41%	0.406	S	S	.	.	S	Bend	trans	-105.8	-14.1	175.5	49.6	0	0	0	0	113.4	G1089 H1099 V1100	G1089-S1097 WeakPolarHBondContact O-CB 3.33Å; S1097-H1099 VanDerWaalsContact C-N 3.32Å; S1097-H1099 PolarHBondContact O-N 3.01Å; S1097-V1100 PolarHBondContact O-N 3.48Å
1098	C	87.9	Confident	92.5	Very high	94 Å²	94	72.7 Å²	72.7	64%	0.635	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.1	-172	54.7	0	0	0	0	114.9
1099	H	86.6	Confident	92.8	Very high	87 Å²	87	69 Å²	69	40%	0.403	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	14.7	-174.8	-60.2	-50.6	0	0	0	113.2	C1079 G1080 Q1081 S1097	C1079-H1099 CarbonylContact C-O 3.59Å; C1079-H1099 WeakPolarHBondContact CA-O 3.26Å; G1080-H1099 PolarHBondContact N-O 3.48Å; Q1081-H1099 HydrophobicContact CB-CB 4.45Å; Q1081-H1099 PolarHBondContact OE1-CD2 3.1Å; S1097-H1099 VanDerWaalsContact C-N 3.32Å; S1097-H1099 PolarHBondContact O-N 3.01Å
1100	V	92.5	Very high	93	Very high	29 Å²	29	69 Å²	69	18%	0.176	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.6	-177.2	-172.5	0	0	0	0	110	D1077 C1091 S1097	D1077-V1100 HydrophobicContact CB-CG1 3.61Å; C1091-V1100 HydrophobicContact CB-CG2 4.08Å; S1097-V1100 PolarHBondContact O-N 3.48Å
1101	S	92	Very high	93.2	Very high	61 Å²	61	65.4 Å²	65.4	43%	0.427	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.7	177.9	-59	0	0	0	0	110.4	V1078	V1078-S1101 PolarHBondContact N-O 3.22Å; V1078-S1101 PolarHBondContact O-N 3.36Å
1102	S	92.5	Very high	93.4	Very high	92 Å²	92	69.3 Å²	69.3	64%	0.643	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.9	178.5	-52	0	0	0	0	110.6	V1076 D1077	V1076-S1102 CarbonylContact O-C 3.52Å; V1076-S1102 WeakPolarHBondContact O-CA 3.41Å; D1077-S1102 PolarHBondContact OD1-OG 2.96Å
1103	L	93.5	Very high	93.7	Very high	61 Å²	61	64.9 Å²	64.9	32%	0.319	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.9	-179.7	178.4	67.7	0	0	0	109.7	V1076 V1078 L1127	V1076-L1103 HydrophobicContact CG2-CB 4.29Å; V1076-L1103 PolarHBondContact N-O 3.07Å; V1076-L1103 PolarHBondContact O-N 2.98Å; V1078-L1103 HydrophobicContact CG2-CB 4.22Å; V1078-L1103 HydrophobicContact CG2-CD2 4.44Å; L1103-L1127 HydrophobicContact CD2-CD2 4.23Å
1104	R	94.5	Very high	93.9	Very high	166 Å²	166	61 Å²	61	63%	0.626	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	124.3	168.4	-75	-159.5	-74.5	173.9	-5.8	110.1	M1068 F1074 E1075	M1068-R1104 VanDerWaalsContact CE-C 3.41Å; M1068-R1104 HydrophobicContact CE-CB 3.72Å; M1068-R1104 WeakPolarHBondContact CE-O 3.42Å; F1074-R1104 WeakPolarHBondContact O-CA 3.37Å; E1075-R1104 HydrophobicContact CG-CG 3.61Å
1105	I	95.9	Very high	94.2	Very high	17 Å²	17	63.8 Å²	63.8	9%	0.087	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	153.7	-178.5	-162.3	168.8	0	0	0	110.4	F1074 V1076 Y1107 C1109 K1110 F1113	F1074-I1105 PolarHBondContact N-O 3.43Å; F1074-I1105 PolarHBondContact O-N 2.88Å; V1076-I1105 HydrophobicContact CB-CG2 4.4Å; V1076-I1105 HydrophobicContact CG1-CG2 3.83Å; V1076-I1105 HydrophobicContact CG2-CB 4.49Å; V1076-I1105 HydrophobicContact CG2-CG2 3.62Å; I1105-Y1107 PolarHBondContact O-N 3.32Å; I1105-C1109 HydrophobicContact CD1-CB 4.08Å; I1105-C1109 HydrophobicContact CG1-CB 4.01Å; I1105-K1110 HydrophobicContact CG2-CB 4.37Å; I1105-F1113 HydrophobicContact CD1-CE2 3.88Å; I1105-F1113 HydrophobicContact CD1-CZ 4.49Å
1106	P	97	Very high	94.5	Very high	39 Å²	39	58.3 Å²	58.3	25%	0.253	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	135.7	167.9	-23.9	34.1	0	0	0	111.4	M1068 A1108 C1109 K1110	M1068-P1106 HydrophobicContact CB-CG 4.22Å; M1068-P1106 HydrophobicContact CG-CG 3.91Å; M1068-P1106 HydrophobicContact SD-CG 4.11Å; P1106-A1108 VanDerWaalsContact C-N 3.26Å; P1106-A1108 PolarHBondContact O-N 3.39Å; P1106-C1109 HydrophobicContact CB-CB 4.32Å; P1106-C1109 WeakPolarHBondContact O-CB 3.41Å; P1106-C1109 PolarHBondContact O-N 2.89Å; P1106-K1110 PolarHBondContact O-N 2.87Å
1107	Y	97.2	Very high	94.7	Very high	21 Å²	21	60.3 Å²	60.3	8%	0.082	33%	0.329	C	S	.	.	H	α-helix	trans	-60.6	-36.2	179	-174	-91.2	0	0	0	112.2	L1030 T1031 R1032 D1072 F1074 I1105 C1109 K1110 L1111	L1030-Y1107 WeakPolarHBondContact O-CE1 3.32Å; T1031-Y1107 VanDerWaalsContact O-CD1 3.22Å; T1031-Y1107 WeakPolarHBondContact O-CD1 3.25Å; R1032-Y1107 HydrophobicContact CB-CD1 3.87Å; R1032-Y1107 HydrophobicContact CB-CE1 4.16Å; R1032-Y1107 HydrophobicContact CB-CG 4.13Å; R1032-Y1107 HydrophobicContact CG-CD1 3.97Å; R1032-Y1107 HydrophobicContact CG-CD2 4.48Å; R1032-Y1107 HydrophobicContact CG-CE1 3.75Å; R1032-Y1107 HydrophobicContact CG-CE2 4.27Å; R1032-Y1107 HydrophobicContact CG-CG 4.32Å; D1072-Y1107 VanDerWaalsContact O-CB 3.31Å; D1072-Y1107 WeakPolarHBondContact O-CB 3.28Å; D1072-Y1107 PolarHBondContact O-N 3Å; D1072-Y1107 PolarHBondContact OD2-N 3.48Å; F1074-Y1107 HydrophobicContact CB-CD2 4.14Å; F1074-Y1107 AromaticContact CD1-CD2 3.85Å; F1074-Y1107 HydrophobicContact CD1-CD2 3.85Å; F1074-Y1107 HydrophobicContact CD1-CE2 4.43Å; F1074-Y1107 AromaticContact CD2-CD2 3.98Å; F1074-Y1107 HydrophobicContact CD2-CD2 3.98Å; F1074-Y1107 HydrophobicContact CE1-CD2 4.27Å; F1074-Y1107 HydrophobicContact CE1-CE2 4.41Å; F1074-Y1107 HydrophobicContact CE2-CD2 4.39Å; F1074-Y1107 AromaticContact CG-CD2 3.72Å; F1074-Y1107 HydrophobicContact CG-CD2 3.72Å; F1074-Y1107 HydrophobicContact CZ-CE2 4.48Å; I1105-Y1107 PolarHBondContact O-N 3.32Å; Y1107-C1109 PolarHBondContact O-N 3.1Å; Y1107-K1110 HydrophobicContact CD2-CD 4.43Å; Y1107-K1110 HydrophobicContact CE2-CD 4.12Å; Y1107-K1110 WeakPolarHBondContact O-CB 3.43Å; Y1107-K1110 PolarHBondContact O-N 3.11Å; Y1107-K1110 VanDerWaalsContact O-N 3.16Å; Y1107-L1111 HydrophobicContact CE1-CB 4.46Å; Y1107-L1111 PolarHBondContact O-N 3.11Å
1108	A	96.4	Very high	95	Very high	37 Å²	37	61.8 Å²	61.8	31%	0.306	34%	0.339	S	S	.	.	H	α-helix	trans	-58.3	-36	174.5	0	0	0	0	0	112.7	D1072 P1106 L1111 L1112	D1072-A1108 WeakPolarHBondContact OD2-CB 3.44Å; D1072-A1108 PolarHBondContact OD2-N 3.42Å; P1106-A1108 VanDerWaalsContact C-N 3.26Å; P1106-A1108 PolarHBondContact O-N 3.39Å; A1108-L1111 PolarHBondContact O-N 2.92Å; A1108-L1112 WeakPolarHBondContact O-CB 3.46Å; A1108-L1112 PolarHBondContact O-N 3.4Å
1109	C	97	Very high	95.5	Very high	38 Å²	38	63.8 Å²	63.8	26%	0.257	34%	0.341	S	S	.	.	H	α-helix	trans	-70.4	-41.9	175.7	-172.9	0	0	0	0	111.5	I1105 P1106 Y1107 L1111 L1112 F1113	I1105-C1109 HydrophobicContact CD1-CB 4.08Å; I1105-C1109 HydrophobicContact CG1-CB 4.01Å; P1106-C1109 HydrophobicContact CB-CB 4.32Å; P1106-C1109 WeakPolarHBondContact O-CB 3.41Å; P1106-C1109 PolarHBondContact O-N 2.89Å; Y1107-C1109 PolarHBondContact O-N 3.1Å; C1109-L1111 VanDerWaalsContact C-N 3.3Å; C1109-L1111 PolarHBondContact O-N 2.89Å; C1109-L1112 WeakPolarHBondContact O-CB 3.5Å; C1109-L1112 PolarHBondContact O-N 3.07Å; C1109-F1113 WeakPolarHBondContact O-CG 3.49Å; C1109-F1113 PolarHBondContact O-N 3.23Å; C1109-F1113 WeakPolarHBondContact SG-CZ 3.16Å
1110	K	96.3	Very high	95.9	Very high	30 Å²	30	66.1 Å²	66.1	13%	0.13	36%	0.356	C	S	.	.	H	α-helix	trans	-57.6	-43.9	171.5	176.2	-86.2	-172.8	-178.8	0	111.6	V1076 L1085 I1105 P1106 Y1107 F1113 Q1114	V1076-K1110 HydrophobicContact CG1-CB 4.18Å; V1076-K1110 HydrophobicContact CG1-CG 3.77Å; L1085-K1110 HydrophobicContact CD1-CG 3.96Å; I1105-K1110 HydrophobicContact CG2-CB 4.37Å; P1106-K1110 PolarHBondContact O-N 2.87Å; Y1107-K1110 HydrophobicContact CD2-CD 4.43Å; Y1107-K1110 HydrophobicContact CE2-CD 4.12Å; Y1107-K1110 WeakPolarHBondContact O-CB 3.43Å; Y1107-K1110 PolarHBondContact O-N 3.11Å; Y1107-K1110 VanDerWaalsContact O-N 3.16Å; K1110-F1113 PolarHBondContact O-N 3.36Å; K1110-Q1114 VanDerWaalsContact NZ-NE2 3.19Å; K1110-Q1114 PolarHBondContact O-N 3.23Å
1111	L	97.5	Very high	96.1	Very high	23 Å²	23	69.3 Å²	69.3	12%	0.12	37%	0.372	C	S	.	.	H	α-helix	trans	-62.9	-46.4	177.7	179.1	62	0	0	0	110.9	L1030 T1031 Y1107 A1108 C1109 F1113 Q1114 E1115	L1030-L1111 HydrophobicContact CD1-CD2 4.31Å; L1030-L1111 HydrophobicContact CG-CD2 4.23Å; T1031-L1111 HydrophobicContact CG2-CD2 4.37Å; Y1107-L1111 HydrophobicContact CE1-CB 4.46Å; Y1107-L1111 PolarHBondContact O-N 3.11Å; A1108-L1111 PolarHBondContact O-N 2.92Å; C1109-L1111 VanDerWaalsContact C-N 3.3Å; C1109-L1111 PolarHBondContact O-N 2.89Å; L1111-F1113 VanDerWaalsContact C-N 3.28Å; L1111-F1113 PolarHBondContact O-N 3.36Å; L1111-Q1114 WeakPolarHBondContact O-CB 3.22Å; L1111-Q1114 PolarHBondContact O-N 3.35Å; L1111-E1115 PolarHBondContact O-N 3.45Å
1112	L	97.6	Very high	96.3	Very high	83 Å²	83	70.1 Å²	70.1	44%	0.435	37%	0.371	S	S	.	.	H	α-helix	trans	-55	-43.1	175.7	178.2	65.2	0	0	0	111.8	A1108 C1109 Q1114 E1115 L1116	A1108-L1112 WeakPolarHBondContact O-CB 3.46Å; A1108-L1112 PolarHBondContact O-N 3.4Å; C1109-L1112 WeakPolarHBondContact O-CB 3.5Å; C1109-L1112 PolarHBondContact O-N 3.07Å; L1112-Q1114 VanDerWaalsContact C-N 3.31Å; L1112-Q1114 PolarHBondContact O-N 2.95Å; L1112-E1115 PolarHBondContact O-N 3.02Å; L1112-L1116 HydrophobicContact CD1-CD1 4.27Å; L1112-L1116 HydrophobicContact CD1-CG 4.17Å; L1112-L1116 HydrophobicContact CG-CD1 4.01Å; L1112-L1116 HydrophobicContact CG-CG 4.33Å; L1112-L1116 WeakPolarHBondContact O-CB 3.38Å; L1112-L1116 VanDerWaalsContact O-CG 3.28Å; L1112-L1116 WeakPolarHBondContact O-CG 3.44Å; L1112-L1116 PolarHBondContact O-N 3.46Å
1113	F	97.1	Very high	96.4	Very high	28 Å²	28	67.1 Å²	67.1	12%	0.123	35%	0.349	C	S	.	.	H	α-helix	trans	-62.7	-36.6	177.6	-66.9	-14.9	0	0	0	113.1	L1085 I1105 C1109 K1110 L1111 Q1117 P1123 L1125	L1085-F1113 HydrophobicContact CD1-CB 4.46Å; I1105-F1113 HydrophobicContact CD1-CE2 3.88Å; I1105-F1113 HydrophobicContact CD1-CZ 4.49Å; C1109-F1113 WeakPolarHBondContact O-CG 3.49Å; C1109-F1113 PolarHBondContact O-N 3.23Å; C1109-F1113 WeakPolarHBondContact SG-CZ 3.16Å; K1110-F1113 PolarHBondContact O-N 3.36Å; L1111-F1113 VanDerWaalsContact C-N 3.28Å; L1111-F1113 PolarHBondContact O-N 3.36Å; F1113-Q1117 WeakPolarHBondContact O-CB 3.44Å; F1113-Q1117 VanDerWaalsContact O-CG 3.23Å; F1113-Q1117 WeakPolarHBondContact O-CG 3.25Å; F1113-Q1117 PolarHBondContact O-N 3.15Å; F1113-P1123 HydrophobicContact CB-CG 3.73Å; F1113-P1123 HydrophobicContact CD1-CB 3.79Å; F1113-P1123 HydrophobicContact CD1-CG 3.61Å; F1113-P1123 HydrophobicContact CE1-CB 4.06Å; F1113-P1123 HydrophobicContact CE1-CG 4.38Å; F1113-P1123 HydrophobicContact CG-CB 4.27Å; F1113-P1123 HydrophobicContact CG-CG 3.74Å; F1113-L1125 HydrophobicContact CE2-CD1 3.97Å; F1113-L1125 HydrophobicContact CE2-CD2 3.83Å; F1113-L1125 HydrophobicContact CE2-CG 4.25Å; F1113-L1125 HydrophobicContact CZ-CD2 3.93Å
1114	Q	95.6	Very high	96.5	Very high	76 Å²	76	70.4 Å²	70.4	36%	0.355	36%	0.357	S	S	.	.	H	α-helix	trans	-70.8	-38.3	176.1	-65.3	-174.6	-44.4	0	0	112.2	K1110 L1111 L1112 S1118	K1110-Q1114 VanDerWaalsContact NZ-NE2 3.19Å; K1110-Q1114 PolarHBondContact O-N 3.23Å; L1111-Q1114 WeakPolarHBondContact O-CB 3.22Å; L1111-Q1114 PolarHBondContact O-N 3.35Å; L1112-Q1114 VanDerWaalsContact C-N 3.31Å; L1112-Q1114 PolarHBondContact O-N 2.95Å; Q1114-S1118 WeakPolarHBondContact O-CB 3.27Å; Q1114-S1118 PolarHBondContact O-N 3.45Å; Q1114-S1118 PolarHBondContact O-OG 3.28Å
1115	E	97.5	Very high	96.5	Very high	97 Å²	97	64.5 Å²	64.5	45%	0.453	34%	0.338	S	S	.	.	H	α-helix	trans	-64.1	-46.5	174.2	-70	179.2	173.6	0	0	111	L1111 L1112 Q1117 S1118 M1119	L1111-E1115 PolarHBondContact O-N 3.45Å; L1112-E1115 PolarHBondContact O-N 3.02Å; E1115-Q1117 PolarHBondContact O-N 3.27Å; E1115-S1118 WeakPolarHBondContact O-CB 3.31Å; E1115-S1118 PolarHBondContact O-N 3.26Å; E1115-S1118 VanDerWaalsContact O-N 3.15Å; E1115-M1119 WeakPolarHBondContact O-CG 3.35Å; E1115-M1119 PolarHBondContact O-N 2.98Å
1116	L	97.7	Very high	96.4	Very high	42 Å²	42	73.6 Å²	73.6	22%	0.22	38%	0.376	C	S	.	.	H	α-helix	trans	-60.7	-44.8	176.2	-70.6	175.3	0	0	0	111.9	L1112 S1118 M1119 N1120 I1121	L1112-L1116 HydrophobicContact CD1-CD1 4.27Å; L1112-L1116 HydrophobicContact CD1-CG 4.17Å; L1112-L1116 HydrophobicContact CG-CD1 4.01Å; L1112-L1116 HydrophobicContact CG-CG 4.33Å; L1112-L1116 WeakPolarHBondContact O-CB 3.38Å; L1112-L1116 VanDerWaalsContact O-CG 3.28Å; L1112-L1116 WeakPolarHBondContact O-CG 3.44Å; L1112-L1116 PolarHBondContact O-N 3.46Å; L1116-S1118 VanDerWaalsContact C-N 3.27Å; L1116-S1118 PolarHBondContact O-N 2.93Å; L1116-M1119 CarbonylContact O-C 3.59Å; L1116-M1119 WeakPolarHBondContact O-CA 3.32Å; L1116-M1119 WeakPolarHBondContact O-CB 3.48Å; L1116-M1119 PolarHBondContact O-N 3.3Å; L1116-N1120 PolarHBondContact O-N 3.38Å; L1116-I1121 CarbonylContact C-O 3.51Å; L1116-I1121 HydrophobicContact CB-CB 4.31Å; L1116-I1121 WeakPolarHBondContact CB-O 3.2Å; L1116-I1121 HydrophobicContact CD2-CB 4.42Å; L1116-I1121 HydrophobicContact CD2-CD1 4.34Å; L1116-I1121 HydrophobicContact CD2-CG2 4.44Å; L1116-I1121 CarbonylContact O-C 3.46Å; L1116-I1121 PolarHBondContact O-N 2.87Å
1117	Q	96	Very high	96.2	Very high	67 Å²	67	74.9 Å²	74.9	31%	0.313	38%	0.381	S	S	.	.	H	α-helix	trans	-59.6	-38.8	175.4	-76.8	175.6	0.4	0	0	111.9	F1113 E1115 M1119 N1120 I1121	F1113-Q1117 WeakPolarHBondContact O-CB 3.44Å; F1113-Q1117 VanDerWaalsContact O-CG 3.23Å; F1113-Q1117 WeakPolarHBondContact O-CG 3.25Å; F1113-Q1117 PolarHBondContact O-N 3.15Å; E1115-Q1117 PolarHBondContact O-N 3.27Å; Q1117-M1119 PolarHBondContact O-N 3.38Å; Q1117-N1120 WeakPolarHBondContact O-CA 3.25Å; Q1117-N1120 PolarHBondContact O-N 3.49Å; Q1117-I1121 PolarHBondContact N-O 3.45Å
1118	S	96.9	Very high	95.9	Very high	109 Å²	109	79.3 Å²	79.3	76%	0.762	42%	0.415	S	S	*	.	H	α-helix	trans	-66.1	-28.9	175.9	-55.4	0	0	0	0	112.3	Q1114 E1115 L1116 N1120	Q1114-S1118 WeakPolarHBondContact O-CB 3.27Å; Q1114-S1118 PolarHBondContact O-N 3.45Å; Q1114-S1118 PolarHBondContact O-OG 3.28Å; E1115-S1118 WeakPolarHBondContact O-CB 3.31Å; E1115-S1118 PolarHBondContact O-N 3.26Å; E1115-S1118 VanDerWaalsContact O-N 3.15Å; L1116-S1118 VanDerWaalsContact C-N 3.27Å; L1116-S1118 PolarHBondContact O-N 2.93Å; S1118-N1120 PolarHBondContact O-N 2.84Å
1119	M	97.3	Very high	95.5	Very high	136 Å²	136	88.1 Å²	88.1	67%	0.67	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	7.6	171.2	-63.1	175.3	64.2	0	0	113.3	E1115 L1116 Q1117 I1121	E1115-M1119 WeakPolarHBondContact O-CG 3.35Å; E1115-M1119 PolarHBondContact O-N 2.98Å; L1116-M1119 CarbonylContact O-C 3.59Å; L1116-M1119 WeakPolarHBondContact O-CA 3.32Å; L1116-M1119 WeakPolarHBondContact O-CB 3.48Å; L1116-M1119 PolarHBondContact O-N 3.3Å; Q1117-M1119 PolarHBondContact O-N 3.38Å; M1119-I1121 PolarHBondContact O-N 2.92Å
1120	N	96.3	Very high	95	Very high	136 Å²	136	96.5 Å²	96.5	73%	0.727	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	22.8	-177	-157.1	31.6	0	0	0	114.8	L1116 Q1117 S1118	L1116-N1120 PolarHBondContact O-N 3.38Å; Q1117-N1120 WeakPolarHBondContact O-CA 3.25Å; Q1117-N1120 PolarHBondContact O-N 3.49Å; S1118-N1120 PolarHBondContact O-N 2.84Å
1121	I	97	Very high	94.5	Very high	96 Å²	96	100 Å²	100	49%	0.492	49%	0.488	S	S	.	.			trans	-100.6	108.9	168	-60.5	172.7	0	0	0	106.2	L1116 Q1117 M1119 P1123	L1116-I1121 CarbonylContact C-O 3.51Å; L1116-I1121 HydrophobicContact CB-CB 4.31Å; L1116-I1121 WeakPolarHBondContact CB-O 3.2Å; L1116-I1121 HydrophobicContact CD2-CB 4.42Å; L1116-I1121 HydrophobicContact CD2-CD1 4.34Å; L1116-I1121 HydrophobicContact CD2-CG2 4.44Å; L1116-I1121 CarbonylContact O-C 3.46Å; L1116-I1121 PolarHBondContact O-N 2.87Å; Q1117-I1121 PolarHBondContact N-O 3.45Å; M1119-I1121 PolarHBondContact O-N 2.92Å; I1121-P1123 WeakPolarHBondContact O-CD 3.43Å
1122	I	95.1	Very high	92.9	Very high	79 Å²	79	111.4 Å²	111.4	41%	0.405	54%	0.541	S	S	.	.			trans	-95.9	104.2	-172.1	-53.8	177.7	0	0	0	110.1	L1084 R1124	L1084-I1122 HydrophobicContact CD2-CG2 3.49Å; L1084-I1122 VanDerWaalsContact CD2-CG2 3.49Å; I1122-R1124 HydrophobicContact CG2-CG 3.86Å; I1122-R1124 PolarHBondContact O-N 3.31Å
1123	P	95.6	Very high	92.7	Very high	28 Å²	28	112.8 Å²	112.8	18%	0.182	55%	0.546	C	S	.	.			trans	-77.5	92.1	175.1	32.6	-34	0	0	0	109.7	F1113 I1121	F1113-P1123 HydrophobicContact CB-CG 3.73Å; F1113-P1123 HydrophobicContact CD1-CB 3.79Å; F1113-P1123 HydrophobicContact CD1-CG 3.61Å; F1113-P1123 HydrophobicContact CE1-CB 4.06Å; F1113-P1123 HydrophobicContact CE1-CG 4.38Å; F1113-P1123 HydrophobicContact CG-CB 4.27Å; F1113-P1123 HydrophobicContact CG-CG 3.74Å; I1121-P1123 WeakPolarHBondContact O-CD 3.43Å
1124	R	94.6	Very high	92.5	Very high	131 Å²	131	117.3 Å²	117.3	49%	0.494	57%	0.568	S	S	.	*			trans	-81.2	119	176.1	-63.2	-175.4	-175.9	-92.2	3.2	110	C1082 I1122	C1082-R1124 PolarHBondContact O-NH1 3.49Å; I1122-R1124 HydrophobicContact CG2-CG 3.86Å; I1122-R1124 PolarHBondContact O-N 3.31Å
1125	L	94.9	Very high	92.3	Very high	42 Å²	42	119.6 Å²	119.6	22%	0.22	58%	0.58	C	S	.	*			trans	-82.6	142.5	176.4	-60.7	177.5	0	0	0	111	V1078 G1083 L1085 F1113	V1078-L1125 HydrophobicContact CG1-CB 3.97Å; V1078-L1125 HydrophobicContact CG1-CD1 3.9Å; V1078-L1125 HydrophobicContact CG2-CD1 4Å; G1083-L1125 WeakPolarHBondContact CA-O 3.49Å; G1083-L1125 PolarHBondContact O-N 2.97Å; L1085-L1125 HydrophobicContact CD2-CD1 4.35Å; F1113-L1125 HydrophobicContact CE2-CD1 3.97Å; F1113-L1125 HydrophobicContact CE2-CD2 3.83Å; F1113-L1125 HydrophobicContact CE2-CG 4.25Å; F1113-L1125 HydrophobicContact CZ-CD2 3.93Å
1126	K	94.1	Very high	92	Very high	207 Å²	207	120.9 Å²	120.9	90%	0.9	59%	0.588	S	S	*	*			trans	-117.5	126.6	169.1	-171.7	175.2	-178.7	179.4	0	108.2
1127	L	92.3	Very high	91.6	Very high	66 Å²	66	125.8 Å²	125.8	35%	0.346	61%	0.611	S	S	.	*			trans	-107.8	142.2	-176.4	-55.1	-178.7	0	0	0	110.5	V1078 L1103	V1078-L1127 HydrophobicContact CB-CD1 4.02Å; V1078-L1127 HydrophobicContact CG1-CD1 4.05Å; V1078-L1127 HydrophobicContact CG1-CG 4.42Å; L1103-L1127 HydrophobicContact CD2-CD2 4.23Å
1128	S	90.6	Very high	91.4	Very high	115 Å²	115	129.7 Å²	129.7	80%	0.804	63%	0.63	S	S	*	*			trans	-120.3	163.2	166.8	59.6	0	0	0	0	109.4
1129	R	87.9	Confident	91	Very high	221 Å²	221	131.2 Å²	131.2	83%	0.834	62%	0.621	S	S	*	*			trans	-66.3	146.9	172.1	-67.9	-176.6	177.7	-179.8	-0.3	109.5	N1131	R1129-N1131 VanDerWaalsContact C-N 3.33Å; R1129-N1131 WeakPolarHBondContact CB-O 3Å
1130	Y	87.9	Confident	90.5	Very high	214 Å²	214	130.8 Å²	130.8	84%	0.839	62%	0.617	S	S	*	*	S	Bend	trans	-81.6	-17.2	175.3	60.9	-93.3	0	0	0	112.4
1131	N	86	Confident	90	Very high	103 Å²	103	130.4 Å²	130.4	55%	0.551	61%	0.608	S	S	*	*			trans	-99.9	151.2	169.3	-66.3	-16.5	0	0	0	109.1	R1129	R1129-N1131 VanDerWaalsContact C-N 3.33Å; R1129-N1131 WeakPolarHBondContact CB-O 3Å
1132	E	63.9	Low	89.4	Confident	263 Å²	263	133.5 Å²	133.5	100%	1.229	62%	0.619	S	S	*	*			trans	-60.4	0	166.5	-74.6	-176	158.5	0	0	112.6

Retrieved 1,132 of 1,132 residues in 3929.7 ms (Link to these results)

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