A0A077ZBW5_TRITR Loading...

DNA topoisomerase 2

Control of topological states of DNA by transient breakage and subsequent rejoining of DNA strands. Topoisomerase II makes double-strand breaks.

AlphaFold DB , UniProt , Accession A0A077ZBW5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,668 aa.

						>A0A077ZBW5_TRITR|A0A077ZBW5
MASNGVLDAMTNGGTNICDISHSDPLHVFQSLDKASKERKKKLAVEEIYQRKTQLEHILLRPDTYIGSIEPHTDLLWVYDEESEKMVQRNVTYVPGLYKIFDEIIVNAADNKQRDARMNCIKVDINQAKNEIKIWNNGKGIPVVEHKVEKMFVPELIFGTLLTSSNYDDSERKVTGGRNGYGAKLCNIFSKRFTVETSSREYRKAFKQTWTENMTKSEEPEILACRDEDYTCVKFTPDLSKFGMTELDDDIVALMSRRAYDIAGTCGGVRVYLNGKRLKINGFKSYIELYTKDRNSEDGEPLKIIYEQPHVRWEVAVTVSDKGFQQVSFVNSIATVKGGRHVDYITDVLVEKIIDVVKKQLKKTGLTIRPFQVKNHIWVFLNCLIENPTFDSQTKENMTLPPKSFGSKCTVSEKFLAQMTKSGIVDSAQLNKQCHATKHSKLKGVPKLEDANEAGTKNSQRCTLILTEGDSAKTLAVAGFSVVGRDYFGVFPLRGKLLNVREASYKQIMANAEINSLVKILGLQYKRKYETADDLRSLRYGKVMIMADQDQDGSHIKGLLINFIHHNWPSLIRHNFVEEFITPIVKVTKGKEEKAFFSLPEYEKWKMQTNNWHTWKIKYYKGLGTSTAKEAKEYFSDMGRHRIRFRYDGNDDDKALELAFSKKMVDDRKDWLSQWMQERRNQRSANQPETYLYQENTTVVTYKEFVDKELIIFSNMDNERSIPSLVDGLKPGQRKVLYTCFKRNDKREVKVAQLAGSVAEMSSYHHGEASLMATIVNLAHNFVGSNNINLLLPIGQFGTRLQGGKDSASPRYIFTLLNPVTRALFNPADEACLNYLFDDNQKIEPEWYCPILPTVLVNGAEGIGTAWSTKVPNFNPRDLVENLRRLIRDEPMIPMHPWYKNFRGLIRHLGSQRYACFGEVALLDDGRLEISELPIGVWTQQYKENVLEPMLYGTDNKQALIQDYKEYHTDTTVRFVIQMTAQNLAQCQREGVHKVFKLQNFINTSQMVLFDAEGCLRRFGSAEEILRCFYDVRLSMYNRRKDYMESLLDAQSNRLRNQARFILEKIEGTIKIENLKKQLIVKQLVERKYDPDPVKVWKEKQRSPTSEEVLLEEGEEEEATSGEVSEGSVEAHLRDYDYLLSMAVLKLSLEEKDKILRDRDSKMEELEALRNKSPKDLWLEDLDQFMTELEKREKIEKEEELMTKGSGGKGDSKIKSGKTSARPVAKKLNSKETAPSEEGTRIEPHITDELRLKVEKVDQAKQRQIMIKEAELRGDADAVGLLKKRTRTAKPKVIVGPKTIGESRGSSDNDDDDAAEEVQPVRSLRERKRVTFFSSDDNESDVDSIFSFDKDGNNSDESYTLEGKAETKVKTSQKGSANQQKTASADGLKSPQPKPKRSRILDSDDDDFVVDSSDSSGSVEQLTKRKKKSPATKEAQKKDATKAPAEKEPTEPKKKFDLNTILSDSLDDDDDVVLIASSSGSVTEEAEKKEIVVEQPVEQKVETPKRGAKQQASTASTKPKRAAEKPKREIKKRPTNDKKKGPSKRSKKSPPSEVSEDSVLTVSDPESDVLSDIDAFAFSSDDGVKIDYRFTAVCRRIISKYVSLKEKQAGPSKKKAAEAVKKPKKEANKSAPKRETRKRAPKFKQSNLWSDESDSFEPPIVEESDSSF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.5	Very low	37.6	Very low	251 Å²	251	132.7 Å²	132.7	100%	1.236	81%	0.805	S	S	*	*				0	158.4	0	-68.6	173.1	173.8	0	0	108.6
2	A	28.4	Very low	37.6	Very low	104 Å²	104	134.3 Å²	134.3	86%	0.86	81%	0.805	S	S	*	*			trans	-145.2	116.4	-176.9	0	0	0	0	0	112.8
3	S	35.8	Very low	37.2	Very low	102 Å²	102	130.2 Å²	130.2	71%	0.713	81%	0.808	S	S	*	*			trans	-175.5	120.7	166.9	47.7	0	0	0	0	106.3
4	N	37.3	Very low	36.7	Very low	167 Å²	167	126 Å²	126	89%	0.893	80%	0.803	S	S	*	*				50.8	121.8	84.1	-57.8	-9.5	0	0	0	111.5
5	G	36.6	Very low	36.7	Very low	74 Å²	74	126.7 Å²	126.7	76%	0.763	81%	0.805	S	S	*	*			cis	-178.3	-155.1	3	0	0	0	0	0	107
6	V	38.3	Very low	36.5	Very low	130 Å²	130	127.2 Å²	127.2	79%	0.788	80%	0.8	S	S	*	*			cis	-171.9	157.2	-6.1	100.2	0	0	0	0	107.8
7	L	37.6	Very low	36.2	Very low	148 Å²	148	127.8 Å²	127.8	78%	0.775	79%	0.794	S	S	*	*			trans	67.1	150.5	170.4	-76.5	163.5	0	0	0	117.5
8	D	38.3	Very low	36	Very low	133 Å²	133	126.5 Å²	126.5	71%	0.711	79%	0.789	S	S	*	*			cis	-155	166.8	-7.4	-155	-2.1	0	0	0	112.5
9	A	39.8	Very low	35.7	Very low	72 Å²	72	127.8 Å²	127.8	60%	0.595	79%	0.79	S	S	*	*			trans	56.3	148.2	149.1	0	0	0	0	0	121.6
10	M	37.7	Very low	35.6	Very low	161 Å²	161	130.2 Å²	130.2	79%	0.793	80%	0.795	S	S	*	*			cis	-165.8	155.6	-11	-114.3	-176.2	-169.7	0	0	110.7
11	T	39	Very low	35.5	Very low	118 Å²	118	128.6 Å²	128.6	72%	0.724	79%	0.79	S	S	*	*			trans	62.7	149.4	159.2	58.2	0	0	0	0	119.2
12	N	37.7	Very low	35.1	Very low	151 Å²	151	125.9 Å²	125.9	81%	0.807	77%	0.774	S	S	*	*			cis	-157.5	139.4	-3	-121.8	-10.3	0	0	0	112.1
13	G	33.2	Very low	35.4	Very low	82 Å²	82	126.2 Å²	126.2	85%	0.845	77%	0.77	S	S	*	*			trans	60.5	142.2	152.6	0	0	0	0	0	120.6
14	G	30.4	Very low	35.3	Very low	71 Å²	71	127.4 Å²	127.4	73%	0.732	77%	0.768	S	S	*	*			cis	153.6	102.1	-5.8	0	0	0	0	0	113.3
15	T	36.2	Very low	35.4	Very low	137 Å²	137	125.8 Å²	125.8	84%	0.84	77%	0.767	S	S	*	*			trans	-179.7	153.7	168.2	20.8	0	0	0	0	107.7
16	N	32.7	Very low	35.4	Very low	134 Å²	134	128.7 Å²	128.7	72%	0.717	76%	0.764	S	S	*	*			cis	-166.6	146.4	-38	-133.9	-9.8	0	0	0	108.7
17	I	32.2	Very low	35.3	Very low	138 Å²	138	128.1 Å²	128.1	71%	0.708	75%	0.753	S	S	*	*			trans	76.2	124.2	151.8	-64.5	161.5	0	0	0	120.4
18	C	32.8	Very low	35.2	Very low	104 Å²	104	127.7 Å²	127.7	70%	0.703	76%	0.756	S	S	*	*			trans	56.7	128.8	161.6	74.8	0	0	0	0	119.3
19	D	29.4	Very low	35.1	Very low	152 Å²	152	131.6 Å²	131.6	81%	0.813	77%	0.767	S	S	*	*			cis	66.3	113.1	42.2	-66.1	-52.1	0	0	0	115.4
20	I	35	Very low	34.8	Very low	174 Å²	174	134.1 Å²	134.1	89%	0.892	77%	0.767	S	S	*	*			trans	-164.6	152.5	134.3	-103.7	155.7	0	0	0	110.5
21	S	33.5	Very low	34.7	Very low	97 Å²	97	130 Å²	130	68%	0.678	75%	0.753	S	S	*	*			trans	-82	163.4	-166.6	52.2	0	0	0	0	115.8	S23	S21-S23 PolarHBondContact O-N 3.35Å
22	H	34.7	Very low	34.7	Very low	195 Å²	195	132.1 Å²	132.1	90%	0.903	76%	0.759	S	S	*	*			trans	-53.2	127.8	163.5	-71.3	3.9	0	0	0	111.9
23	S	34.4	Very low	34.8	Very low	111 Å²	111	131.9 Å²	131.9	78%	0.776	76%	0.758	S	S	*	*			trans	-159.7	139	155	48.9	0	0	0	0	111.6	S21	S21-S23 PolarHBondContact O-N 3.35Å
24	D	33.9	Very low	35.1	Very low	126 Å²	126	135.2 Å²	135.2	67%	0.674	75%	0.749	S	S	*	*			trans	-15.7	128.7	-175.3	-77.2	-59.9	0	0	0	122.2	L26	D24-L26 HydrophobicContact CB-CB 3.86Å; D24-L26 PolarHBondContact O-N 3.27Å
25	P	39.8	Very low	35.5	Very low	134 Å²	134	135.4 Å²	135.4	87%	0.87	74%	0.744	S	S	*	*	S	Bend	trans	-83	37.7	154.5	37.4	-34.7	0	0	0	112.2
26	L	37.7	Very low	35.7	Very low	135 Å²	135	132.8 Å²	132.8	71%	0.707	73%	0.731	S	S	*	*			trans	-120.2	27.6	-164.1	-122.7	174	0	0	0	114.4	D24	D24-L26 HydrophobicContact CB-CB 3.86Å; D24-L26 PolarHBondContact O-N 3.27Å
27	H	34.6	Very low	35.9	Very low	118 Å²	118	135.1 Å²	135.1	55%	0.546	74%	0.735	S	S	.	*			trans	-141	2.7	-175.2	-133.1	-73	0	0	0	118.2	F29 Q30	H27-F29 VanDerWaalsContact C-N 3.27Å; H27-F29 PolarHBondContact O-N 2.66Å; H27-Q30 PolarHBondContact CE1-OE1 3.18Å; H27-Q30 PolarHBondContact O-N 3.4Å
28	V	36.7	Very low	36.3	Very low	138 Å²	138	137 Å²	137	84%	0.836	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-17.2	-171.3	-175.3	0	0	0	0	114
29	F	35.6	Very low	36.6	Very low	216 Å²	216	143.1 Å²	143.1	95%	0.947	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	18.7	174.3	-82.3	-75.5	0	0	0	115	H27	H27-F29 VanDerWaalsContact C-N 3.27Å; H27-F29 PolarHBondContact O-N 2.66Å
30	Q	34.6	Very low	37.2	Very low	125 Å²	125	146 Å²	146	58%	0.584	76%	0.755	S	S	*	*	S	Bend	trans	-132.2	68.7	177.3	-66.9	-166.3	27.3	0	0	114.6	H27	H27-Q30 PolarHBondContact CE1-OE1 3.18Å; H27-Q30 PolarHBondContact O-N 3.4Å
31	S	34.6	Very low	38.2	Very low	74 Å²	74	146.8 Å²	146.8	52%	0.517	75%	0.751	S	S	.	*	S	Bend	trans	-155.2	-14.8	159.1	-149	0	0	0	0	117.2	D33 K34 A35	S31-D33 PolarHBondContact O-N 3.32Å; S31-K34 WeakPolarHBondContact O-CA 3.47Å; S31-K34 PolarHBondContact O-N 2.83Å; S31-A35 PolarHBondContact O-N 3.08Å; S31-A35 VanDerWaalsContact O-N 3.11Å
32	L	38	Very low	39.1	Very low	162 Å²	162	152 Å²	152	85%	0.848	76%	0.762	S	S	*	*	H	α-helix	trans	-61.4	-28.5	179.3	-74.9	169.2	0	0	0	113.3	K34	L32-K34 VanDerWaalsContact C-N 3.33Å
33	D	40.8	Very low	40.9	Very low	147 Å²	147	148 Å²	148	79%	0.786	75%	0.747	S	S	*	*	H	α-helix	trans	-80.8	-3.9	171.3	-73.7	-45.1	0	0	0	115	S31 S36	S31-D33 PolarHBondContact O-N 3.32Å; D33-S36 PolarHBondContact O-OG 3.12Å
34	K	39.4	Very low	43	Very low	152 Å²	152	144.8 Å²	144.8	66%	0.661	73%	0.727	S	S	*	*	H	α-helix	trans	-103.8	-33.6	176.5	-74.7	179.5	177.2	170.8	0	112.9	S31 L32 S36	S31-K34 WeakPolarHBondContact O-CA 3.47Å; S31-K34 PolarHBondContact O-N 2.83Å; L32-K34 VanDerWaalsContact C-N 3.33Å; K34-S36 PolarHBondContact O-N 3.2Å
35	A	38.5	Very low	45	Very low	74 Å²	74	143.2 Å²	143.2	61%	0.612	72%	0.721	S	S	*	*	H	α-helix	trans	-67.7	-19.2	174.2	0	0	0	0	0	113.7	S31 K37	S31-A35 PolarHBondContact O-N 3.08Å; S31-A35 VanDerWaalsContact O-N 3.11Å; A35-K37 PolarHBondContact O-N 2.97Å; A35-K37 VanDerWaalsContact O-N 3.15Å
36	S	39.9	Very low	47.1	Very low	83 Å²	83	143.7 Å²	143.7	58%	0.58	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	-0.1	-173.8	62.7	0	0	0	0	115.9	D33 K34	D33-S36 PolarHBondContact O-OG 3.12Å; K34-S36 PolarHBondContact O-N 3.2Å
37	K	36.9	Very low	49.1	Very low	182 Å²	182	142.2 Å²	142.2	79%	0.791	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-7.4	-175.1	-75.7	-178.6	176.2	174.3	0	115.8	A35 R39	A35-K37 PolarHBondContact O-N 2.97Å; A35-K37 VanDerWaalsContact O-N 3.15Å; K37-R39 PolarHBondContact O-N 3.48Å
38	E	41.6	Very low	51.3	Low	177 Å²	177	141.1 Å²	141.1	83%	0.827	70%	0.698	S	S	*	*	S	Bend	trans	-90.4	98.6	180	-62	-148.7	128.4	0	0	112.8
39	R	39	Very low	53.5	Low	234 Å²	234	143.3 Å²	143.3	88%	0.883	69%	0.693	S	S	*	*			trans	39.5	84.8	158	-65.6	179.9	173.5	177.7	-2	116.3	K37 K41	K37-R39 PolarHBondContact O-N 3.48Å; R39-K41 VanDerWaalsContact C-N 3.29Å; R39-K41 PolarHBondContact O-N 3.26Å
40	K	42	Very low	55.9	Low	213 Å²	213	138.5 Å²	138.5	93%	0.926	67%	0.673	S	S	*	*			trans	-58.8	85.3	159.6	-72.7	-175.6	177.1	179.4	0	111.6
41	K	55.7	Low	58.4	Low	189 Å²	189	144 Å²	144	82%	0.822	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-60.4	142	154.1	-77.2	-174.7	175	-178.7	0	107.8	R39 L43	R39-K41 VanDerWaalsContact C-N 3.29Å; R39-K41 PolarHBondContact O-N 3.26Å; K41-L43 PolarHBondContact O-N 2.9Å
42	K	52.7	Low	60.9	Low	208 Å²	208	144.6 Å²	144.6	90%	0.904	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-70.2	122.3	164.4	-68.3	-178.7	178.9	179.8	0	107.1
43	L	72.8	Confident	63.4	Low	111 Å²	111	140.5 Å²	140.5	58%	0.581	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-63.1	152.1	166.3	-66.7	170.3	0	0	0	109.4	K41 E47 I48	K41-L43 PolarHBondContact O-N 2.9Å; L43-E47 VanDerWaalsContact CA-OE2 3.27Å; L43-E47 WeakPolarHBondContact CA-OE2 3.43Å; L43-E47 HydrophobicContact CB-CB 4.15Å; L43-E47 WeakPolarHBondContact CB-OE2 3.35Å; L43-E47 HydrophobicContact CD2-CB 4.48Å; L43-E47 WeakPolarHBondContact CD2-OE2 3.26Å; L43-I48 HydrophobicContact CB-CD1 4.23Å; L43-I48 HydrophobicContact CB-CG1 3.93Å
44	A	77.7	Confident	65.7	Low	43 Å²	43	137 Å²	137	36%	0.355	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-68	161.2	173.4	0	0	0	0	0	111.2	E46 E47 I48	A44-E46 WeakPolarHBondContact CB-OE2 3.48Å; A44-E46 PolarHBondContact O-N 2.85Å; A44-E47 HydrophobicContact CB-CB 4.44Å; A44-E47 HydrophobicContact CB-CG 4.07Å; A44-E47 PolarHBondContact N-OE2 3.11Å; A44-E47 PolarHBondContact O-N 2.89Å; A44-I48 WeakPolarHBondContact O-CG1 3.48Å; A44-I48 PolarHBondContact O-N 2.86Å; A44-I48 VanDerWaalsContact O-N 3.14Å
45	V	77.6	Confident	68.1	Low	92 Å²	92	131.7 Å²	131.7	56%	0.558	62%	0.622	S	S	*	*	H	α-helix	trans	-64	-36.2	-179.3	179.5	0	0	0	0	110	I48 Y49	V45-I48 PolarHBondContact O-N 2.87Å; V45-Y49 HydrophobicContact CG1-CD2 3.76Å; V45-Y49 HydrophobicContact CG1-CE2 4.21Å; V45-Y49 WeakPolarHBondContact O-CD2 3.4Å; V45-Y49 PolarHBondContact O-N 2.88Å
46	E	83	Confident	70.6	Confident	145 Å²	145	132 Å²	132	68%	0.678	61%	0.61	S	S	*	*	H	α-helix	trans	-67.2	-33.3	177.6	-58.6	72.2	-161.1	0	0	112.3	A44	A44-E46 WeakPolarHBondContact CB-OE2 3.48Å; A44-E46 PolarHBondContact O-N 2.85Å
47	E	80	Confident	73.1	Confident	103 Å²	103	131.4 Å²	131.4	48%	0.481	60%	0.598	S	S	.	*	H	α-helix	trans	-75	-32.2	174.7	-67.5	177	138.7	0	0	111.7	L43 A44 Q50	L43-E47 VanDerWaalsContact CA-OE2 3.27Å; L43-E47 WeakPolarHBondContact CA-OE2 3.43Å; L43-E47 HydrophobicContact CB-CB 4.15Å; L43-E47 WeakPolarHBondContact CB-OE2 3.35Å; L43-E47 HydrophobicContact CD2-CB 4.48Å; L43-E47 WeakPolarHBondContact CD2-OE2 3.26Å; A44-E47 HydrophobicContact CB-CB 4.44Å; A44-E47 HydrophobicContact CB-CG 4.07Å; A44-E47 PolarHBondContact N-OE2 3.11Å; A44-E47 PolarHBondContact O-N 2.89Å; E47-Q50 PolarHBondContact O-NE2 3.16Å
48	I	80.4	Confident	75.6	Confident	95 Å²	95	122.8 Å²	122.8	49%	0.487	56%	0.561	S	S	.	*	H	α-helix	trans	-78.1	-46	179.7	-65.3	164.5	0	0	0	111.4	L43 A44 V45	L43-I48 HydrophobicContact CB-CD1 4.23Å; L43-I48 HydrophobicContact CB-CG1 3.93Å; A44-I48 WeakPolarHBondContact O-CG1 3.48Å; A44-I48 PolarHBondContact O-N 2.86Å; A44-I48 VanDerWaalsContact O-N 3.14Å; V45-I48 PolarHBondContact O-N 2.87Å
49	Y	84	Confident	78	Confident	184 Å²	184	116.7 Å²	116.7	72%	0.722	53%	0.534	S	S	*	.	S	Bend	trans	-106.3	71.9	-171.4	-63.2	-73.7	0	0	0	112.5	V45	V45-Y49 HydrophobicContact CG1-CD2 3.76Å; V45-Y49 HydrophobicContact CG1-CE2 4.21Å; V45-Y49 WeakPolarHBondContact O-CD2 3.4Å; V45-Y49 PolarHBondContact O-N 2.88Å
50	Q	84.4	Confident	80.4	Confident	115 Å²	115	110.4 Å²	110.4	54%	0.537	52%	0.517	S	S	.	.			trans	-85.2	124.8	-177.2	-56	-178.7	25.6	0	0	112.4	E47 K52	E47-Q50 PolarHBondContact O-NE2 3.16Å; Q50-K52 VanDerWaalsContact OE1-CE 3.24Å
51	R	87.1	Confident	82.7	Confident	240 Å²	240	107.9 Å²	107.9	91%	0.906	50%	0.502	S	S	*	.			trans	-78.5	140	161.8	-177.2	176.6	177.4	-179.7	-1.4	109.2
52	K	87.2	Confident	84.3	Confident	87 Å²	87	99.3 Å²	99.3	38%	0.378	47%	0.466	S	S	.	.			trans	-121.5	154	172.9	-60.7	-61.7	173.2	-168	0	111	Q50 E56 L60	Q50-K52 VanDerWaalsContact OE1-CE 3.24Å; K52-E56 VanDerWaalsContact CA-OE2 3.24Å; K52-E56 WeakPolarHBondContact CA-OE2 3.12Å; K52-E56 HydrophobicContact CB-CB 4Å; K52-E56 WeakPolarHBondContact CB-OE2 3.23Å; K52-E56 HydrophobicContact CD-CB 4.35Å; K52-E56 WeakPolarHBondContact CD-OE2 3.47Å; K52-L60 HydrophobicContact CG-CD2 4.39Å
53	T	90.5	Very high	85.8	Confident	77 Å²	77	94.4 Å²	94.4	47%	0.472	45%	0.449	S	S	.	.			trans	-73.3	166.6	165.3	63.7	0	0	0	0	111.1	L55 E56 H57	T53-L55 VanDerWaalsContact C-N 3.31Å; T53-L55 PolarHBondContact O-N 3.36Å; T53-E56 WeakPolarHBondContact CB-OE1 3.4Å; T53-E56 WeakPolarHBondContact CG2-OE1 3.33Å; T53-E56 PolarHBondContact N-OE2 2.98Å; T53-E56 VanDerWaalsContact N-OE2 3.09Å; T53-E56 PolarHBondContact O-N 3.21Å; T53-E56 WeakPolarHBondContact OG1-CB 3.28Å; T53-E56 VanDerWaalsContact OG1-CG 3.26Å; T53-E56 WeakPolarHBondContact OG1-CG 3.32Å; T53-E56 PolarHBondContact OG1-N 3.26Å; T53-E56 PolarHBondContact OG1-OE1 2.76Å; T53-H57 WeakPolarHBondContact O-CB 3.31Å; T53-H57 PolarHBondContact O-N 3.14Å
54	Q	89.3	Confident	86.2	Confident	74 Å²	74	93.3 Å²	93.3	35%	0.346	45%	0.447	S	S	.	.	H	α-helix	trans	-64.6	-36.6	178.3	-168.1	179.2	6.9	0	0	111.8	H57 I58 L161 Y181	Q54-H57 PolarHBondContact O-N 2.95Å; Q54-I58 HydrophobicContact CG-CD1 4.25Å; Q54-I58 WeakPolarHBondContact O-CD1 3.5Å; Q54-I58 VanDerWaalsContact O-CG1 3.25Å; Q54-I58 WeakPolarHBondContact O-CG1 3.44Å; Q54-I58 PolarHBondContact O-N 3.46Å; Q54-L161 HydrophobicContact CB-CD1 4.38Å; Q54-L161 HydrophobicContact CG-CD1 4.07Å; Q54-Y181 PolarHBondContact NE2-OH 2.92Å; Q54-Y181 VanDerWaalsContact NE2-OH 3.08Å
55	L	90.6	Very high	86.6	Confident	40 Å²	40	92.8 Å²	92.8	21%	0.209	44%	0.436	C	S	.	.	H	α-helix	trans	-68.5	-44.9	176.8	-169.4	155.2	0	0	0	111.1	T53 H57 I58 L59 I188 M214 T215	T53-L55 VanDerWaalsContact C-N 3.31Å; T53-L55 PolarHBondContact O-N 3.36Å; L55-H57 VanDerWaalsContact C-N 3.31Å; L55-H57 PolarHBondContact O-N 3.44Å; L55-I58 PolarHBondContact O-N 2.91Å; L55-L59 HydrophobicContact CD2-CD1 3.68Å; L55-L59 HydrophobicContact CD2-CG 4.3Å; L55-L59 PolarHBondContact O-N 3.42Å; L55-I188 HydrophobicContact CG-CD1 4.49Å; L55-M214 HydrophobicContact CD1-CE 4.19Å; L55-T215 HydrophobicContact CD2-CG2 4.3Å
56	E	89.9	Confident	87.1	Confident	79 Å²	79	88.5 Å²	88.5	37%	0.369	41%	0.41	S	S	.	.	H	α-helix	trans	-57.8	-42.3	170.6	-76.2	155.2	-125.3	0	0	112.3	K52 T53 L59 L60	K52-E56 VanDerWaalsContact CA-OE2 3.24Å; K52-E56 WeakPolarHBondContact CA-OE2 3.12Å; K52-E56 HydrophobicContact CB-CB 4Å; K52-E56 WeakPolarHBondContact CB-OE2 3.23Å; K52-E56 HydrophobicContact CD-CB 4.35Å; K52-E56 WeakPolarHBondContact CD-OE2 3.47Å; T53-E56 WeakPolarHBondContact CB-OE1 3.4Å; T53-E56 WeakPolarHBondContact CG2-OE1 3.33Å; T53-E56 PolarHBondContact N-OE2 2.98Å; T53-E56 VanDerWaalsContact N-OE2 3.09Å; T53-E56 PolarHBondContact O-N 3.21Å; T53-E56 WeakPolarHBondContact OG1-CB 3.28Å; T53-E56 VanDerWaalsContact OG1-CG 3.26Å; T53-E56 WeakPolarHBondContact OG1-CG 3.32Å; T53-E56 PolarHBondContact OG1-N 3.26Å; T53-E56 PolarHBondContact OG1-OE1 2.76Å; E56-L59 PolarHBondContact O-N 3.42Å; E56-L60 WeakPolarHBondContact O-CB 3.42Å; E56-L60 PolarHBondContact O-N 2.93Å
57	H	92	Very high	87.2	Confident	72 Å²	72	81.9 Å²	81.9	33%	0.333	38%	0.381	S	S	.	.	H	α-helix	trans	-65.6	-40.6	179.5	-174.1	-102.3	0	0	0	111.9	T53 Q54 L55 L60 R61 Y65	T53-H57 WeakPolarHBondContact O-CB 3.31Å; T53-H57 PolarHBondContact O-N 3.14Å; Q54-H57 PolarHBondContact O-N 2.95Å; L55-H57 VanDerWaalsContact C-N 3.31Å; L55-H57 PolarHBondContact O-N 3.44Å; H57-L60 PolarHBondContact O-N 3.37Å; H57-R61 PolarHBondContact O-N 2.95Å; H57-Y65 AromaticContact ND1-CE2 3.54Å; H57-Y65 AromaticContact ND1-CZ 3.69Å; H57-Y65 PolarHBondContact ND1-OH 3.02Å
58	I	91.4	Very high	87.7	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-60.2	-46.3	173.7	-70.9	162	0	0	0	110.8	Q54 L55 R61 P62 Y65 L161 L185 I188 F189	Q54-I58 HydrophobicContact CG-CD1 4.25Å; Q54-I58 WeakPolarHBondContact O-CD1 3.5Å; Q54-I58 VanDerWaalsContact O-CG1 3.25Å; Q54-I58 WeakPolarHBondContact O-CG1 3.44Å; Q54-I58 PolarHBondContact O-N 3.46Å; L55-I58 PolarHBondContact O-N 2.91Å; I58-R61 CarbonylContact O-C 3.57Å; I58-P62 WeakPolarHBondContact O-CA 3.41Å; I58-Y65 HydrophobicContact CB-CD2 4.16Å; I58-Y65 HydrophobicContact CB-CE2 4.19Å; I58-Y65 HydrophobicContact CD1-CE1 4.36Å; I58-Y65 HydrophobicContact CG1-CD1 3.94Å; I58-Y65 HydrophobicContact CG1-CD2 3.71Å; I58-Y65 HydrophobicContact CG1-CE1 3.77Å; I58-Y65 HydrophobicContact CG1-CE2 3.53Å; I58-Y65 HydrophobicContact CG1-CG 3.9Å; I58-Y65 HydrophobicContact CG2-CD2 4.36Å; I58-L161 HydrophobicContact CD1-CD1 3.68Å; I58-L161 HydrophobicContact CD1-CD2 3.86Å; I58-L161 HydrophobicContact CD1-CG 4.46Å; I58-L185 HydrophobicContact CD1-CD2 4.18Å; I58-L185 HydrophobicContact CG1-CD2 4.45Å; I58-L185 HydrophobicContact CG2-CD2 3.84Å; I58-I188 HydrophobicContact CD1-CD1 4Å; I58-I188 HydrophobicContact CG2-CD1 4.29Å; I58-I188 HydrophobicContact CG2-CG2 3.93Å; I58-F189 HydrophobicContact CG2-CE2 3.59Å; I58-F189 HydrophobicContact CG2-CZ 4.18Å
59	L	91.2	Very high	88.2	Confident	50 Å²	50	76.8 Å²	76.8	26%	0.262	36%	0.36	S	S	.	.	H	α-helix	trans	-71	-31.4	179	-71	-179.6	0	0	0	113.7	L55 E56 I188 F189 N213 K241	L55-L59 HydrophobicContact CD2-CD1 3.68Å; L55-L59 HydrophobicContact CD2-CG 4.3Å; L55-L59 PolarHBondContact O-N 3.42Å; E56-L59 PolarHBondContact O-N 3.42Å; L59-I188 HydrophobicContact CD2-CG2 3.48Å; L59-I188 VanDerWaalsContact CD2-CG2 3.48Å; L59-I188 HydrophobicContact CG-CG2 3.88Å; L59-F189 HydrophobicContact CD2-CD1 4.47Å; L59-F189 HydrophobicContact CD2-CE1 3.98Å; L59-F189 HydrophobicContact CD2-CE2 4.45Å; L59-F189 HydrophobicContact CD2-CZ 3.95Å; L59-N213 HydrophobicContact CD1-CB 4.29Å; L59-K241 HydrophobicContact CD2-CD 3.79Å
60	L	89.5	Confident	88.5	Confident	101 Å²	101	74.2 Å²	74.2	53%	0.529	36%	0.355	S	S	.	.	H	α-helix	trans	-84.5	-26.4	-179.3	-174.1	64.4	0	0	0	113	K52 E56 H57	K52-L60 HydrophobicContact CG-CD2 4.39Å; E56-L60 WeakPolarHBondContact O-CB 3.42Å; E56-L60 PolarHBondContact O-N 2.93Å; H57-L60 PolarHBondContact O-N 3.37Å
61	R	89	Confident	88.8	Confident	160 Å²	160	72.6 Å²	72.6	60%	0.604	35%	0.354	S	S	*	.			trans	-137.7	62.3	-177.7	-62.5	-62.2	171.1	101.5	-2.9	111.5	H57 I58 D63 T64	H57-R61 PolarHBondContact O-N 2.95Å; I58-R61 CarbonylContact O-C 3.57Å; R61-D63 PolarHBondContact O-N 2.64Å; R61-T64 PolarHBondContact O-OG1 2.86Å
62	P	89.3	Confident	88.8	Confident	10 Å²	10	65.8 Å²	65.8	7%	0.065	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-33.4	-176.7	19.4	-32.7	0	0	0	114.2	I58 T64 Y65 I66 I69 F189	I58-P62 WeakPolarHBondContact O-CA 3.41Å; P62-T64 VanDerWaalsContact C-N 3.28Å; P62-T64 PolarHBondContact O-N 3.36Å; P62-T64 VanDerWaalsContact O-N 3.15Å; P62-Y65 WeakPolarHBondContact O-CA 3.22Å; P62-Y65 PolarHBondContact O-N 3Å; P62-I66 HydrophobicContact CB-CD1 4.02Å; P62-I66 HydrophobicContact CB-CG1 3.88Å; P62-I66 WeakPolarHBondContact O-CG1 3.2Å; P62-I66 PolarHBondContact O-N 3.21Å; P62-I69 HydrophobicContact CB-CG2 3.71Å; P62-I69 HydrophobicContact CG-CB 4.29Å; P62-I69 HydrophobicContact CG-CD1 3.95Å; P62-I69 HydrophobicContact CG-CG1 3.87Å; P62-I69 HydrophobicContact CG-CG2 3.5Å; P62-I69 VanDerWaalsContact CG-CG2 3.5Å; P62-F189 HydrophobicContact CB-CE1 4.18Å; P62-F189 HydrophobicContact CB-CZ 3.73Å
63	D	84.7	Confident	89	Confident	105 Å²	105	65.1 Å²	65.1	56%	0.561	34%	0.336	S	S	*	.	H	α-helix	trans	-50.6	-44	-171.8	-173.1	46.5	0	0	0	113.6	R61 Y65 G67 S68	R61-D63 PolarHBondContact O-N 2.64Å; D63-Y65 PolarHBondContact O-N 3.44Å; D63-Y65 VanDerWaalsContact O-N 3.16Å; D63-G67 WeakPolarHBondContact CA-O 3.42Å; D63-G67 VanDerWaalsContact O-CA 3.27Å; D63-G67 WeakPolarHBondContact O-CA 3.27Å; D63-G67 PolarHBondContact O-N 2.67Å; D63-S68 PolarHBondContact OD1-N 2.9Å; D63-S68 VanDerWaalsContact OD1-N 3.15Å
64	T	82.1	Confident	88.9	Confident	88 Å²	88	64 Å²	64	54%	0.54	33%	0.327	S	S	.	.	H	α-helix	trans	-70.3	-11	179.7	62.4	0	0	0	0	115.1	R61 P62	R61-T64 PolarHBondContact O-OG1 2.86Å; P62-T64 VanDerWaalsContact C-N 3.28Å; P62-T64 PolarHBondContact O-N 3.36Å; P62-T64 VanDerWaalsContact O-N 3.15Å
65	Y	85.4	Confident	88.8	Confident	32 Å²	32	65 Å²	65	13%	0.125	34%	0.335	C	S	.	.	H	α-helix	trans	-115.3	-42.6	-176.4	-60.6	-79.9	0	0	0	113.5	H57 I58 P62 D63 Y181 L185 Q393	H57-Y65 AromaticContact ND1-CE2 3.54Å; H57-Y65 AromaticContact ND1-CZ 3.69Å; H57-Y65 PolarHBondContact ND1-OH 3.02Å; I58-Y65 HydrophobicContact CB-CD2 4.16Å; I58-Y65 HydrophobicContact CB-CE2 4.19Å; I58-Y65 HydrophobicContact CD1-CE1 4.36Å; I58-Y65 HydrophobicContact CG1-CD1 3.94Å; I58-Y65 HydrophobicContact CG1-CD2 3.71Å; I58-Y65 HydrophobicContact CG1-CE1 3.77Å; I58-Y65 HydrophobicContact CG1-CE2 3.53Å; I58-Y65 HydrophobicContact CG1-CG 3.9Å; I58-Y65 HydrophobicContact CG2-CD2 4.36Å; P62-Y65 WeakPolarHBondContact O-CA 3.22Å; P62-Y65 PolarHBondContact O-N 3Å; D63-Y65 PolarHBondContact O-N 3.44Å; D63-Y65 VanDerWaalsContact O-N 3.16Å; Y65-Y181 HydrophobicContact CD1-CD1 4.41Å; Y65-Y181 HydrophobicContact CD1-CE1 4.25Å; Y65-Y181 HydrophobicContact CE1-CE1 4.04Å; Y65-L185 HydrophobicContact CD1-CD2 4.4Å; Y65-L185 HydrophobicContact CG-CD2 4.34Å; Y65-L185 WeakPolarHBondContact O-CD1 3.4Å; Y65-Q393 WeakPolarHBondContact O-CG 3.17Å
66	I	87.6	Confident	88.8	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-123.1	-7.4	-177.5	61.7	171.7	0	0	0	113.4	P62 I69 G96 K99 I100 L185 F189 F242	P62-I66 HydrophobicContact CB-CD1 4.02Å; P62-I66 HydrophobicContact CB-CG1 3.88Å; P62-I66 WeakPolarHBondContact O-CG1 3.2Å; P62-I66 PolarHBondContact O-N 3.21Å; I66-I69 HydrophobicContact CD1-CG2 4.44Å; I66-G96 WeakPolarHBondContact O-CA 3.17Å; I66-K99 HydrophobicContact CB-CB 4.42Å; I66-K99 WeakPolarHBondContact O-CB 3.17Å; I66-K99 WeakPolarHBondContact O-CG 3.44Å; I66-I100 HydrophobicContact CB-CG2 4.5Å; I66-I100 HydrophobicContact CD1-CG2 4.42Å; I66-I100 HydrophobicContact CG2-CG2 3.81Å; I66-L185 HydrophobicContact CG2-CB 3.83Å; I66-L185 HydrophobicContact CG2-CD1 3.85Å; I66-L185 HydrophobicContact CG2-CG 4.29Å; I66-F189 HydrophobicContact CD1-CD1 4.04Å; I66-F189 HydrophobicContact CD1-CD2 3.73Å; I66-F189 HydrophobicContact CD1-CE1 4.03Å; I66-F189 HydrophobicContact CD1-CE2 3.7Å; I66-F189 HydrophobicContact CD1-CG 3.92Å; I66-F189 HydrophobicContact CD1-CZ 3.88Å; I66-F189 HydrophobicContact CG1-CE2 4.4Å; I66-F242 HydrophobicContact CD1-CE1 3.8Å; I66-F242 HydrophobicContact CD1-CZ 4.17Å
67	G	86.4	Confident	88.8	Confident	6 Å²	6	62.6 Å²	62.6	6%	0.062	32%	0.322	C	S	.	.			trans	85.7	178.2	-167	0	0	0	0	0	112.6	D63	D63-G67 WeakPolarHBondContact CA-O 3.42Å; D63-G67 VanDerWaalsContact O-CA 3.27Å; D63-G67 WeakPolarHBondContact O-CA 3.27Å; D63-G67 PolarHBondContact O-N 2.67Å
68	S	89.3	Confident	88.8	Confident	38 Å²	38	59.2 Å²	59.2	27%	0.266	31%	0.306	S	S	.	.			trans	-51.5	140.6	-174.6	-175.5	0	0	0	0	113.8	D63 E70 P95 G96	D63-S68 PolarHBondContact OD1-N 2.9Å; D63-S68 VanDerWaalsContact OD1-N 3.15Å; S68-E70 WeakPolarHBondContact OG-CB 3.31Å; S68-E70 PolarHBondContact OG-N 2.9Å; S68-E70 PolarHBondContact OG-O 3.42Å; S68-P95 WeakPolarHBondContact O-CD 3.46Å; S68-G96 PolarHBondContact O-N 2.93Å
69	I	91.4	Very high	88.8	Confident	53 Å²	53	60.7 Å²	60.7	27%	0.272	31%	0.312	S	S	.	.	S	Bend	trans	-93.5	-8.9	166	57.6	163.1	0	0	0	113	P62 I66 V94 K241 F242	P62-I69 HydrophobicContact CB-CG2 3.71Å; P62-I69 HydrophobicContact CG-CB 4.29Å; P62-I69 HydrophobicContact CG-CD1 3.95Å; P62-I69 HydrophobicContact CG-CG1 3.87Å; P62-I69 HydrophobicContact CG-CG2 3.5Å; P62-I69 VanDerWaalsContact CG-CG2 3.5Å; I66-I69 HydrophobicContact CD1-CG2 4.44Å; I69-V94 WeakPolarHBondContact O-CG1 3.26Å; I69-K241 WeakPolarHBondContact CD1-O 3.46Å; I69-F242 HydrophobicContact CB-CD1 4.36Å; I69-F242 HydrophobicContact CG2-CD1 3.87Å; I69-F242 HydrophobicContact CG2-CE1 4.02Å
70	E	90.9	Very high	88.7	Confident	130 Å²	130	60.4 Å²	60.4	61%	0.607	31%	0.311	S	S	*	.	S	Bend	trans	-75.9	144	169.4	-55.8	-63.3	155.1	0	0	109.9	S68	S68-E70 WeakPolarHBondContact OG-CB 3.31Å; S68-E70 PolarHBondContact OG-N 2.9Å; S68-E70 PolarHBondContact OG-O 3.42Å
71	P	90.9	Very high	88.5	Confident	81 Å²	81	60.7 Å²	60.7	53%	0.526	31%	0.309	S	S	.	.			trans	-65.2	136.8	174.5	27.9	-34.5	0	0	0	111.3	T92 Y93 V94	P71-T92 HydrophobicContact CB-CG2 4.21Å; P71-Y93 WeakPolarHBondContact CA-O 3.18Å; P71-V94 HydrophobicContact CB-CG2 4.31Å
72	H	86.1	Confident	88.2	Confident	96 Å²	96	62.1 Å²	62.1	44%	0.444	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.2	178.2	-164.2	-101.5	0	0	0	110.2	D74 T92 Y93 P95	H72-D74 IonicContact CE1-OD1 3.74Å; H72-D74 PolarHBondContact CE1-OD1 3.07Å; H72-D74 IonicContact CE1-OD2 2.67Å; H72-D74 PolarHBondContact CE1-OD2 3.32Å; H72-D74 IonicContact CG-OD2 2.82Å; H72-D74 VanDerWaalsContact ND1-CG 3.29Å; H72-D74 IonicContact ND1-OD1 3.36Å; H72-D74 IonicContact ND1-OD2 3.15Å; H72-D74 PolarHBondContact ND1-OD2 2.84Å; H72-T92 WeakPolarHBondContact O-CA 3.4Å; H72-Y93 PolarHBondContact N-O 3.23Å; H72-Y93 WeakPolarHBondContact O-CD1 3.23Å; H72-Y93 PolarHBondContact O-N 3.32Å; H72-P95 HydrophobicContact CB-CG 4.22Å
73	T	92.1	Very high	88	Confident	74 Å²	74	63.5 Å²	63.5	45%	0.454	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	109.6	179.4	-52.2	0	0	0	0	110.2	N90 V91 T92	T73-N90 HydrophobicContact CG2-CB 4.07Å; T73-V91 WeakPolarHBondContact CA-O 3.5Å; T73-T92 WeakPolarHBondContact CG2-OG1 3.44Å; T73-T92 PolarHBondContact OG1-OG1 2.96Å
74	D	87.2	Confident	88.1	Confident	53 Å²	53	62.5 Å²	62.5	28%	0.283	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151	178.6	-79.7	-59.9	0	0	0	112	H72 L76 N90 V91 Y93	H72-D74 IonicContact CE1-OD1 3.74Å; H72-D74 PolarHBondContact CE1-OD1 3.07Å; H72-D74 IonicContact CE1-OD2 2.67Å; H72-D74 PolarHBondContact CE1-OD2 3.32Å; H72-D74 IonicContact CG-OD2 2.82Å; H72-D74 VanDerWaalsContact ND1-CG 3.29Å; H72-D74 IonicContact ND1-OD1 3.36Å; H72-D74 IonicContact ND1-OD2 3.15Å; H72-D74 PolarHBondContact ND1-OD2 2.84Å; D74-L76 HydrophobicContact CB-CD1 4.07Å; D74-L76 HydrophobicContact CB-CD2 3.85Å; D74-L76 HydrophobicContact CB-CG 3.59Å; D74-L76 PolarHBondContact O-N 3.29Å; D74-N90 WeakPolarHBondContact O-CA 3.46Å; D74-V91 PolarHBondContact N-O 3.02Å; D74-V91 PolarHBondContact O-N 3.17Å; D74-Y93 HydrophobicContact CB-CE1 4.27Å; D74-Y93 PolarHBondContact OD2-OH 2.93Å
75	L	88.7	Confident	88.5	Confident	96 Å²	96	60.5 Å²	60.5	50%	0.503	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	70.4	173.9	-177.9	60.4	0	0	0	110.7	Q88 R89 N90	L75-Q88 HydrophobicContact CD1-CG 3.95Å; L75-Q88 HydrophobicContact CG-CG 3.93Å; L75-Q88 PolarHBondContact O-NE2 3.43Å; L75-R89 CarbonylContact C-O 3.58Å; L75-N90 WeakPolarHBondContact CD1-OD1 3.37Å
76	L	88.8	Confident	88.7	Confident	35 Å²	35	59 Å²	59	18%	0.183	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	159	-173.4	-63.1	-179.5	0	0	0	113.2	D74 Q88 R89 V91 Y93 L254	D74-L76 HydrophobicContact CB-CD1 4.07Å; D74-L76 HydrophobicContact CB-CD2 3.85Å; D74-L76 HydrophobicContact CB-CG 3.59Å; D74-L76 PolarHBondContact O-N 3.29Å; L76-Q88 WeakPolarHBondContact O-CA 3.49Å; L76-R89 PolarHBondContact N-O 2.86Å; L76-R89 PolarHBondContact O-N 3.45Å; L76-R89 VanDerWaalsContact O-O 3.12Å; L76-V91 HydrophobicContact CB-CB 4.4Å; L76-V91 HydrophobicContact CB-CG2 4.17Å; L76-Y93 HydrophobicContact CD1-CD1 4.13Å; L76-Y93 HydrophobicContact CD1-CE1 3.55Å; L76-L254 HydrophobicContact CB-CD2 4.17Å; L76-L254 HydrophobicContact CD1-CD1 4.02Å; L76-L254 HydrophobicContact CD1-CD2 3.61Å; L76-L254 HydrophobicContact CD1-CG 4.48Å
77	W	90.1	Very high	88.8	Confident	32 Å²	32	61.3 Å²	61.3	12%	0.121	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	139	163.4	-66.1	97.8	0	0	0	110	M86 V87 Q88 R257 Y290 W378	W77-M86 HydrophobicContact CE3-CB 3.95Å; W77-M86 HydrophobicContact CZ3-CB 4.28Å; W77-M86 WeakPolarHBondContact CZ3-O 3.45Å; W77-V87 WeakPolarHBondContact CA-O 3.32Å; W77-Q88 HydrophobicContact CD2-CB 4.07Å; W77-Q88 HydrophobicContact CD2-CG 4.21Å; W77-Q88 HydrophobicContact CE3-CB 3.97Å; W77-Q88 HydrophobicContact CH2-CB 4.26Å; W77-Q88 HydrophobicContact CZ2-CB 4.32Å; W77-Q88 HydrophobicContact CZ3-CB 4.09Å; W77-R257 WeakPolarHBondContact O-CD 3.47Å; W77-R257 PolarHBondContact O-NH1 2.83Å; W77-R257 VanDerWaalsContact O-NH1 3.08Å; W77-Y290 HydrophobicContact CB-CE1 4.13Å; W77-Y290 AromaticContact CD2-CD1 3.85Å; W77-Y290 HydrophobicContact CD2-CD1 3.85Å; W77-Y290 AromaticContact CD2-CE1 3.56Å; W77-Y290 HydrophobicContact CD2-CE1 3.56Å; W77-Y290 AromaticContact CE3-CD1 3.69Å; W77-Y290 HydrophobicContact CE3-CD1 3.69Å; W77-Y290 AromaticContact CE3-CE1 3.72Å; W77-Y290 HydrophobicContact CE3-CE1 3.72Å; W77-Y290 HydrophobicContact CG-CD1 4.48Å; W77-Y290 AromaticContact CG-CE1 3.73Å; W77-Y290 HydrophobicContact CG-CE1 3.73Å; W77-Y290 HydrophobicContact CH2-CD1 4.05Å; W77-Y290 HydrophobicContact CZ2-CD1 4.23Å; W77-Y290 AromaticContact CZ3-CD1 3.76Å; W77-Y290 HydrophobicContact CZ3-CD1 3.76Å; W77-Y290 HydrophobicContact CZ3-CE1 4.28Å; W77-W378 AromaticContact CH2-CH2 3.46Å; W77-W378 HydrophobicContact CH2-CH2 3.46Å; W77-W378 VanDerWaalsContact CH2-CH2 3.46Å; W77-W378 AromaticContact CH2-CZ2 3.68Å; W77-W378 HydrophobicContact CH2-CZ2 3.68Å; W77-W378 AromaticContact CZ2-CH2 3.67Å; W77-W378 HydrophobicContact CZ2-CH2 3.67Å; W77-W378 AromaticContact CZ2-CZ2 3.43Å; W77-W378 HydrophobicContact CZ2-CZ2 3.43Å; W77-W378 VanDerWaalsContact CZ2-CZ2 3.43Å; W77-W378 HydrophobicContact CZ3-CH2 4.47Å
78	V	92	Very high	88.9	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.012	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	156.9	169	-68.7	0	0	0	0	109	M86 V87 R89 V91 A253 L254	V78-M86 WeakPolarHBondContact O-CA 3.42Å; V78-V87 PolarHBondContact N-O 2.93Å; V78-V87 PolarHBondContact O-N 3.41Å; V78-V87 VanDerWaalsContact O-O 3.14Å; V78-R89 HydrophobicContact CG2-CG 3.94Å; V78-V91 HydrophobicContact CG1-CG2 3.77Å; V78-A253 HydrophobicContact CB-CB 4.2Å; V78-A253 HydrophobicContact CG1-CB 3.86Å; V78-L254 HydrophobicContact CG1-CD2 4.1Å
79	Y	91.7	Very high	89	Confident	30 Å²	30	66.4 Å²	66.4	12%	0.118	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128.4	168.2	-178.1	-94.6	0	0	0	108.9	E81 E84 M86 Y260 L289	Y79-E81 HydrophobicContact CD1-CG 4.45Å; Y79-E81 HydrophobicContact CE1-CG 4.37Å; Y79-E84 VanDerWaalsContact OH-CA 3.31Å; Y79-E84 WeakPolarHBondContact OH-CA 3.44Å; Y79-E84 WeakPolarHBondContact OH-CB 3.01Å; Y79-M86 HydrophobicContact CD2-CE 4.44Å; Y79-M86 HydrophobicContact CD2-SD 4.33Å; Y79-Y260 AromaticContact CD1-CE1 3.97Å; Y79-Y260 HydrophobicContact CD1-CE1 3.97Å; Y79-Y260 HydrophobicContact CD1-CE2 4Å; Y79-Y260 AromaticContact CD1-CZ 3.57Å; Y79-Y260 AromaticContact CD2-CD1 3.72Å; Y79-Y260 HydrophobicContact CD2-CD1 3.72Å; Y79-Y260 AromaticContact CD2-CE1 3.47Å; Y79-Y260 HydrophobicContact CD2-CE1 3.47Å; Y79-Y260 VanDerWaalsContact CD2-CE1 3.47Å; Y79-Y260 HydrophobicContact CD2-CG 4.46Å; Y79-Y260 AromaticContact CD2-CZ 3.98Å; Y79-Y260 AromaticContact CE1-CE1 3.85Å; Y79-Y260 HydrophobicContact CE1-CE1 3.85Å; Y79-Y260 HydrophobicContact CE1-CE2 4.36Å; Y79-Y260 AromaticContact CE1-CZ 3.51Å; Y79-Y260 WeakPolarHBondContact CE1-OH 3.5Å; Y79-Y260 AromaticContact CE2-CD1 3.96Å; Y79-Y260 HydrophobicContact CE2-CD1 3.96Å; Y79-Y260 AromaticContact CE2-CE1 3.33Å; Y79-Y260 HydrophobicContact CE2-CE1 3.33Å; Y79-Y260 AromaticContact CE2-CZ 3.93Å; Y79-Y260 HydrophobicContact CG-CD1 4.1Å; Y79-Y260 HydrophobicContact CG-CD2 4.48Å; Y79-Y260 AromaticContact CG-CE1 3.77Å; Y79-Y260 HydrophobicContact CG-CE1 3.77Å; Y79-Y260 HydrophobicContact CG-CE2 4.13Å; Y79-Y260 HydrophobicContact CG-CG 4.48Å; Y79-Y260 AromaticContact CG-CZ 3.79Å; Y79-Y260 AromaticContact CZ-CE1 3.51Å; Y79-Y260 AromaticContact CZ-CZ 3.68Å; Y79-L289 HydrophobicContact CD2-CD1 4.4Å; Y79-L289 HydrophobicContact CE2-CD1 4.25Å; Y79-L289 HydrophobicContact CE2-CD2 4.44Å
80	D	89.1	Confident	89	Confident	45 Å²	45	69.1 Å²	69.1	24%	0.241	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	125.8	171.5	174.1	42.7	0	0	0	110.2	E82 S83 E84 K85 V87	D80-E82 PolarHBondContact OD1-N 3.45Å; D80-S83 VanDerWaalsContact OD2-CB 3.27Å; D80-S83 WeakPolarHBondContact OD2-CB 3.24Å; D80-S83 PolarHBondContact OD2-N 3.38Å; D80-S83 PolarHBondContact OD2-OG 2.98Å; D80-E84 WeakPolarHBondContact O-CA 3.37Å; D80-E84 PolarHBondContact O-N 2.96Å; D80-K85 PolarHBondContact N-O 3.37Å; D80-K85 PolarHBondContact O-N 3.37Å; D80-V87 HydrophobicContact CB-CB 4.42Å; D80-V87 HydrophobicContact CB-CG2 3.72Å
81	E	84.8	Confident	89	Confident	107 Å²	107	63 Å²	63	50%	0.5	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-32	-180	-72	-107.2	117.3	0	0	112	Y79 K276	Y79-E81 HydrophobicContact CD1-CG 4.45Å; Y79-E81 HydrophobicContact CE1-CG 4.37Å; E81-K276 IonicContact OE1-NZ 3.82Å; E81-K276 PolarHBondContact OE1-NZ 2.79Å; E81-K276 IonicContact OE2-NZ 2.67Å; E81-K276 PolarHBondContact OE2-NZ 2.69Å
82	E	84.6	Confident	89.1	Confident	189 Å²	189	61.9 Å²	61.9	88%	0.883	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-47.3	-175.9	-65.2	-171.1	171.6	0	0	112.1	D80	D80-E82 PolarHBondContact OD1-N 3.45Å
83	S	83.5	Confident	89.4	Confident	39 Å²	39	58.6 Å²	58.6	27%	0.273	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	5.6	-178.9	67.4	0	0	0	0	114.8	D80 K85 K292	D80-S83 VanDerWaalsContact OD2-CB 3.27Å; D80-S83 WeakPolarHBondContact OD2-CB 3.24Å; D80-S83 PolarHBondContact OD2-N 3.38Å; D80-S83 PolarHBondContact OD2-OG 2.98Å; S83-K85 VanDerWaalsContact C-N 3.35Å; S83-K85 PolarHBondContact O-N 3.27Å; S83-K85 VanDerWaalsContact OG-CE 3.27Å; S83-K85 WeakPolarHBondContact OG-CE 3.46Å; S83-K85 WeakPolarHBondContact OG-CG 3.48Å; S83-K292 PolarHBondContact O-NZ 2.65Å
84	E	87.7	Confident	89.5	Confident	85 Å²	85	55.2 Å²	55.2	40%	0.397	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.7	52	-176.8	-76.5	-164.3	141.5	0	0	112.8	Y79 D80 K279 K292	Y79-E84 VanDerWaalsContact OH-CA 3.31Å; Y79-E84 WeakPolarHBondContact OH-CA 3.44Å; Y79-E84 WeakPolarHBondContact OH-CB 3.01Å; D80-E84 WeakPolarHBondContact O-CA 3.37Å; D80-E84 PolarHBondContact O-N 2.96Å; E84-K279 IonicContact OE1-NZ 3.99Å; E84-K279 PolarHBondContact OE1-NZ 3Å; E84-K292 PolarHBondContact O-NZ 2.84Å
85	K	89.5	Confident	89.6	Confident	46 Å²	46	53.8 Å²	53.8	20%	0.2	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	168.6	-179.9	62.9	-170.4	170.7	-163.8	0	113.7	D80 S83 V87 L289 K292 D293	D80-K85 PolarHBondContact N-O 3.37Å; D80-K85 PolarHBondContact O-N 3.37Å; S83-K85 VanDerWaalsContact C-N 3.35Å; S83-K85 PolarHBondContact O-N 3.27Å; S83-K85 VanDerWaalsContact OG-CE 3.27Å; S83-K85 WeakPolarHBondContact OG-CE 3.46Å; S83-K85 WeakPolarHBondContact OG-CG 3.48Å; K85-V87 HydrophobicContact CG-CG2 4.3Å; K85-L289 WeakPolarHBondContact CB-O 3.48Å; K85-K292 HydrophobicContact CB-CB 4.32Å; K85-K292 HydrophobicContact CB-CD 4.23Å; K85-D293 IonicContact NZ-OD2 3.85Å; K85-D293 PolarHBondContact NZ-OD2 3.45Å
86	M	91.1	Very high	89.8	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	122.3	174	-65.5	-70.5	-172.7	0	0	110.4	W77 V78 Y79 R257 Y286 L289 Y290 R294	W77-M86 HydrophobicContact CE3-CB 3.95Å; W77-M86 HydrophobicContact CZ3-CB 4.28Å; W77-M86 WeakPolarHBondContact CZ3-O 3.45Å; V78-M86 WeakPolarHBondContact O-CA 3.42Å; Y79-M86 HydrophobicContact CD2-CE 4.44Å; Y79-M86 HydrophobicContact CD2-SD 4.33Å; M86-R257 HydrophobicContact CE-CG 3.83Å; M86-R257 HydrophobicContact SD-CG 3.85Å; M86-Y286 HydrophobicContact CE-CD2 4.42Å; M86-Y286 HydrophobicContact CE-CE2 3.82Å; M86-L289 HydrophobicContact CE-CD1 4.4Å; M86-L289 HydrophobicContact CG-CB 3.88Å; M86-L289 PolarHBondContact N-O 3.21Å; M86-Y290 HydrophobicContact CB-CD1 3.75Å; M86-Y290 HydrophobicContact CB-CD2 4.28Å; M86-Y290 HydrophobicContact CB-CE1 3.86Å; M86-Y290 HydrophobicContact CB-CE2 4.36Å; M86-Y290 HydrophobicContact CB-CG 3.98Å; M86-Y290 HydrophobicContact CE-CE2 4.33Å; M86-Y290 HydrophobicContact CG-CD1 4.17Å; M86-Y290 HydrophobicContact CG-CD2 3.92Å; M86-Y290 HydrophobicContact CG-CE1 3.98Å; M86-Y290 HydrophobicContact CG-CE2 3.71Å; M86-Y290 HydrophobicContact CG-CG 4.14Å; M86-R294 PolarHBondContact O-NH2 2.88Å
87	V	90	Very high	90	Very high	50 Å²	50	47.5 Å²	47.5	30%	0.303	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.4	178.2	-178.2	0	0	0	0	108.6	W77 V78 D80 K85	W77-V87 WeakPolarHBondContact CA-O 3.32Å; V78-V87 PolarHBondContact N-O 2.93Å; V78-V87 PolarHBondContact O-N 3.41Å; V78-V87 VanDerWaalsContact O-O 3.14Å; D80-V87 HydrophobicContact CB-CB 4.42Å; D80-V87 HydrophobicContact CB-CG2 3.72Å; K85-V87 HydrophobicContact CG-CG2 4.3Å
88	Q	88.2	Confident	90.2	Very high	51 Å²	51	47.6 Å²	47.6	24%	0.238	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.5	176.7	-160.5	-177	12.5	0	0	108.4	L75 L76 W77	L75-Q88 HydrophobicContact CD1-CG 3.95Å; L75-Q88 HydrophobicContact CG-CG 3.93Å; L75-Q88 PolarHBondContact O-NE2 3.43Å; L76-Q88 WeakPolarHBondContact O-CA 3.49Å; W77-Q88 HydrophobicContact CD2-CB 4.07Å; W77-Q88 HydrophobicContact CD2-CG 4.21Å; W77-Q88 HydrophobicContact CE3-CB 3.97Å; W77-Q88 HydrophobicContact CH2-CB 4.26Å; W77-Q88 HydrophobicContact CZ2-CB 4.32Å; W77-Q88 HydrophobicContact CZ3-CB 4.09Å
89	R	90.5	Very high	90.1	Very high	100 Å²	100	48 Å²	48	38%	0.377	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	161.2	180	79.8	-178.5	-166.7	-154.9	4.9	110.7	L75 L76 V78 V91 D250	L75-R89 CarbonylContact C-O 3.58Å; L76-R89 PolarHBondContact N-O 2.86Å; L76-R89 PolarHBondContact O-N 3.45Å; L76-R89 VanDerWaalsContact O-O 3.12Å; V78-R89 HydrophobicContact CG2-CG 3.94Å; R89-V91 HydrophobicContact CG-CG2 3.6Å; R89-V91 PolarHBondContact O-N 3.44Å; R89-D250 IonicContact CZ-OD1 2.72Å; R89-D250 VanDerWaalsContact CZ-OD1 3.31Å; R89-D250 IonicContact NE-OD1 3.77Å; R89-D250 PolarHBondContact NE-OD1 3.14Å; R89-D250 VanDerWaalsContact NE-OD1 3.12Å; R89-D250 IonicContact NH2-OD1 3.95Å; R89-D250 PolarHBondContact NH2-OD1 3.15Å
90	N	91.3	Very high	90.2	Very high	111 Å²	111	46.7 Å²	46.7	59%	0.594	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.5	165.3	-70.5	-9.9	0	0	0	107.4	T73 D74 L75	T73-N90 HydrophobicContact CG2-CB 4.07Å; D74-N90 WeakPolarHBondContact O-CA 3.46Å; L75-N90 WeakPolarHBondContact CD1-OD1 3.37Å
91	V	90.8	Very high	90.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.2	-178.7	178.7	0	0	0	0	107.7	T73 D74 L76 V78 R89 Y93 D250 L254	T73-V91 WeakPolarHBondContact CA-O 3.5Å; D74-V91 PolarHBondContact N-O 3.02Å; D74-V91 PolarHBondContact O-N 3.17Å; L76-V91 HydrophobicContact CB-CB 4.4Å; L76-V91 HydrophobicContact CB-CG2 4.17Å; V78-V91 HydrophobicContact CG1-CG2 3.77Å; R89-V91 HydrophobicContact CG-CG2 3.6Å; R89-V91 PolarHBondContact O-N 3.44Å; V91-Y93 HydrophobicContact CG1-CD1 4.37Å; V91-D250 WeakPolarHBondContact CA-OD2 3.4Å; V91-D250 HydrophobicContact CG1-CB 3.72Å; V91-L254 HydrophobicContact CG1-CD1 3.65Å; V91-L254 HydrophobicContact CG1-CD2 4.17Å; V91-L254 HydrophobicContact CG1-CG 3.78Å
92	T	93.2	Very high	90.8	Very high	59 Å²	59	39.8 Å²	39.8	36%	0.362	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	115.5	175.9	-54.1	0	0	0	0	109.1	P71 H72 T73 D250	P71-T92 HydrophobicContact CB-CG2 4.21Å; H72-T92 WeakPolarHBondContact O-CA 3.4Å; T73-T92 WeakPolarHBondContact CG2-OG1 3.44Å; T73-T92 PolarHBondContact OG1-OG1 2.96Å; T92-D250 PolarHBondContact N-OD2 3.36Å; T92-D250 WeakPolarHBondContact O-CB 3.49Å
93	Y	92.6	Very high	91.1	Very high	27 Å²	27	31.3 Å²	31.3	11%	0.106	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	162.2	-171.7	74.5	-68.6	0	0	0	111.1	P71 H72 D74 L76 V91 P95 I251 L254	P71-Y93 WeakPolarHBondContact CA-O 3.18Å; H72-Y93 PolarHBondContact N-O 3.23Å; H72-Y93 WeakPolarHBondContact O-CD1 3.23Å; H72-Y93 PolarHBondContact O-N 3.32Å; D74-Y93 HydrophobicContact CB-CE1 4.27Å; D74-Y93 PolarHBondContact OD2-OH 2.93Å; L76-Y93 HydrophobicContact CD1-CD1 4.13Å; L76-Y93 HydrophobicContact CD1-CE1 3.55Å; V91-Y93 HydrophobicContact CG1-CD1 4.37Å; Y93-P95 HydrophobicContact CE2-CB 4.33Å; Y93-P95 HydrophobicContact CE2-CG 4.16Å; Y93-P95 WeakPolarHBondContact O-CD 3.37Å; Y93-I251 HydrophobicContact CD2-CD1 4.41Å; Y93-L254 HydrophobicContact CD1-CD1 3.78Å; Y93-L254 HydrophobicContact CD2-CD1 3.44Å; Y93-L254 VanDerWaalsContact CD2-CD1 3.44Å; Y93-L254 HydrophobicContact CE1-CD1 4.35Å; Y93-L254 HydrophobicContact CE2-CD1 4.02Å; Y93-L254 HydrophobicContact CG-CD1 3.31Å
94	V	93.7	Very high	91.6	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.018	15%	0.145	C	C	.	.			trans	-96.1	113.4	174.7	179.8	0	0	0	0	109.7	I69 P71 G96 L97 Y98 F242 M244	I69-V94 WeakPolarHBondContact O-CG1 3.26Å; P71-V94 HydrophobicContact CB-CG2 4.31Å; V94-G96 VanDerWaalsContact C-N 3.31Å; V94-G96 PolarHBondContact O-N 2.82Å; V94-L97 HydrophobicContact CB-CB 4.16Å; V94-L97 HydrophobicContact CG1-CB 4.33Å; V94-L97 PolarHBondContact O-N 2.92Å; V94-L97 VanDerWaalsContact O-N 3.14Å; V94-Y98 PolarHBondContact O-N 2.72Å; V94-F242 HydrophobicContact CG1-CB 4.11Å; V94-F242 HydrophobicContact CG1-CD1 3.69Å; V94-F242 HydrophobicContact CG1-CG 4.31Å; V94-F242 WeakPolarHBondContact CG2-O 3.28Å; V94-M244 HydrophobicContact CB-SD 4.11Å; V94-M244 HydrophobicContact CG2-CG 4.11Å; V94-M244 HydrophobicContact CG2-SD 3.6Å
95	P	90.7	Very high	91.9	Very high	22 Å²	22	25.6 Å²	25.6	14%	0.143	13%	0.126	C	C	.	.	H	α-helix	trans	-57	-40.7	-175.7	-28.8	37	0	0	0	113.8	S68 H72 Y93 L97 Y98 K99	S68-P95 WeakPolarHBondContact O-CD 3.46Å; H72-P95 HydrophobicContact CB-CG 4.22Å; Y93-P95 HydrophobicContact CE2-CB 4.33Å; Y93-P95 HydrophobicContact CE2-CG 4.16Å; Y93-P95 WeakPolarHBondContact O-CD 3.37Å; P95-L97 VanDerWaalsContact C-N 3.34Å; P95-L97 PolarHBondContact O-N 3.33Å; P95-Y98 PolarHBondContact O-N 2.7Å; P95-K99 WeakPolarHBondContact O-CB 3.43Å; P95-K99 PolarHBondContact O-N 2.86Å
96	G	91.3	Very high	91.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.2	-39.6	177.6	0	0	0	0	0	113.8	I66 S68 V94 K99 I100	I66-G96 WeakPolarHBondContact O-CA 3.17Å; S68-G96 PolarHBondContact O-N 2.93Å; V94-G96 VanDerWaalsContact C-N 3.31Å; V94-G96 PolarHBondContact O-N 2.82Å; G96-K99 PolarHBondContact O-N 2.64Å; G96-I100 PolarHBondContact O-N 3.5Å; G96-I100 VanDerWaalsContact O-N 3.1Å
97	L	94.4	Very high	91.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-69	-42.6	177.6	177.4	57.5	0	0	0	111.2	V94 P95 K99 I100 P237 L239 F242 M244 L247 I251 M255	V94-L97 HydrophobicContact CB-CB 4.16Å; V94-L97 HydrophobicContact CG1-CB 4.33Å; V94-L97 PolarHBondContact O-N 2.92Å; V94-L97 VanDerWaalsContact O-N 3.14Å; P95-L97 VanDerWaalsContact C-N 3.34Å; P95-L97 PolarHBondContact O-N 3.33Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 2.89Å; L97-I100 HydrophobicContact CD1-CD1 4.15Å; L97-I100 HydrophobicContact CD1-CG1 4.38Å; L97-I100 WeakPolarHBondContact O-CG1 3.28Å; L97-P237 HydrophobicContact CD1-CB 3.66Å; L97-P237 HydrophobicContact CD1-CG 3.8Å; L97-L239 HydrophobicContact CD1-CD2 4.25Å; L97-L239 HydrophobicContact CD2-CD2 3.81Å; L97-F242 HydrophobicContact CB-CD1 4.01Å; L97-F242 HydrophobicContact CB-CD2 4.22Å; L97-F242 HydrophobicContact CB-CE1 4.1Å; L97-F242 HydrophobicContact CB-CE2 4.31Å; L97-F242 HydrophobicContact CB-CG 4.06Å; L97-F242 HydrophobicContact CB-CZ 4.24Å; L97-F242 HydrophobicContact CD1-CD2 4.09Å; L97-F242 HydrophobicContact CD1-CE2 3.94Å; L97-F242 HydrophobicContact CD1-CZ 4.47Å; L97-M244 HydrophobicContact CD2-CE 4.12Å; L97-M244 HydrophobicContact CD2-SD 3.43Å; L97-M244 WeakPolarHBondContact CD2-SD 3.41Å; L97-L247 HydrophobicContact CD2-CD2 3.94Å; L97-I251 HydrophobicContact CD2-CD1 4.5Å; L97-I251 HydrophobicContact CD2-CG1 3.97Å; L97-I251 HydrophobicContact CG-CD1 4.36Å; L97-I251 HydrophobicContact CG-CG1 4.2Å; L97-M255 HydrophobicContact CD1-CE 4.31Å; L97-M255 HydrophobicContact CG-CE 4.09Å
98	Y	93.1	Very high	92	Very high	34 Å²	34	23.8 Å²	23.8	13%	0.133	12%	0.117	C	C	.	.	H	α-helix	trans	-61.9	-39.2	173	-177.5	-111.3	0	0	0	111.8	V94 P95 F101 D102 I251 L254 M255 R257 R258	V94-Y98 PolarHBondContact O-N 2.72Å; P95-Y98 PolarHBondContact O-N 2.7Å; Y98-F101 WeakPolarHBondContact O-CB 3.24Å; Y98-F101 PolarHBondContact O-N 3.49Å; Y98-D102 PolarHBondContact O-N 2.92Å; Y98-I251 HydrophobicContact CD2-CD1 4.45Å; Y98-L254 HydrophobicContact CD2-CB 3.93Å; Y98-L254 HydrophobicContact CE2-CB 3.83Å; Y98-M255 HydrophobicContact CD2-CG 4.41Å; Y98-R257 PolarHBondContact OH-NH2 3.42Å; Y98-R258 HydrophobicContact CE2-CB 4.22Å
99	K	90.7	Very high	92.2	Very high	11 Å²	11	21.5 Å²	21.5	5%	0.048	11%	0.107	C	C	.	.	H	α-helix	trans	-72.5	-34.6	-175.8	-171.5	64.2	-156.6	165.8	0	113.7	I66 P95 G96 L97 F101 D102 E103 T394	I66-K99 HydrophobicContact CB-CB 4.42Å; I66-K99 WeakPolarHBondContact O-CB 3.17Å; I66-K99 WeakPolarHBondContact O-CG 3.44Å; P95-K99 WeakPolarHBondContact O-CB 3.43Å; P95-K99 PolarHBondContact O-N 2.86Å; G96-K99 PolarHBondContact O-N 2.64Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 2.89Å; K99-F101 VanDerWaalsContact C-N 3.28Å; K99-F101 PolarHBondContact O-N 3.37Å; K99-D102 HydrophobicContact CD-CB 4.48Å; K99-D102 IonicContact NZ-OD2 2.91Å; K99-D102 PolarHBondContact NZ-OD2 2.83Å; K99-D102 PolarHBondContact O-N 2.94Å; K99-E103 WeakPolarHBondContact CE-OE1 3.42Å; K99-E103 IonicContact NZ-OE1 2.91Å; K99-E103 PolarHBondContact NZ-OE1 2.89Å; K99-E103 PolarHBondContact O-N 3.44Å; K99-T394 WeakPolarHBondContact CE-O 3.26Å; K99-T394 PolarHBondContact NZ-O 3.48Å
100	I	93	Very high	92.2	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-67.2	-30.5	173.8	60.3	163.8	0	0	0	112.7	I66 G96 L97 C186 F189 F235 P237 F242	I66-I100 HydrophobicContact CB-CG2 4.5Å; I66-I100 HydrophobicContact CD1-CG2 4.42Å; I66-I100 HydrophobicContact CG2-CG2 3.81Å; G96-I100 PolarHBondContact O-N 3.5Å; G96-I100 VanDerWaalsContact O-N 3.1Å; L97-I100 HydrophobicContact CD1-CD1 4.15Å; L97-I100 HydrophobicContact CD1-CG1 4.38Å; L97-I100 WeakPolarHBondContact O-CG1 3.28Å; I100-C186 HydrophobicContact CB-CB 4.04Å; I100-F189 HydrophobicContact CD1-CB 4.07Å; I100-F189 HydrophobicContact CG2-CB 4.26Å; I100-F235 HydrophobicContact CD1-CE2 4.32Å; I100-P237 HydrophobicContact CD1-CB 4.39Å; I100-F242 HydrophobicContact CD1-CE2 4Å; I100-F242 HydrophobicContact CD1-CZ 3.9Å; I100-F242 HydrophobicContact CG1-CZ 4.42Å
101	F	94.7	Very high	92.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-69.2	-47	170.1	169.8	-88.6	0	0	0	111.6	Y98 K99 E103 I104 I105 V123 I125 I132 I134 F235 M255 R258	Y98-F101 WeakPolarHBondContact O-CB 3.24Å; Y98-F101 PolarHBondContact O-N 3.49Å; K99-F101 VanDerWaalsContact C-N 3.28Å; K99-F101 PolarHBondContact O-N 3.37Å; F101-E103 PolarHBondContact O-N 3.34Å; F101-I104 PolarHBondContact O-N 3.44Å; F101-I104 VanDerWaalsContact O-N 3.1Å; F101-I105 HydrophobicContact CE1-CB 4.48Å; F101-I105 HydrophobicContact CE1-CD1 4.24Å; F101-I105 HydrophobicContact CE1-CG2 4.25Å; F101-I105 HydrophobicContact CZ-CD1 4.08Å; F101-I105 PolarHBondContact O-N 2.98Å; F101-V123 HydrophobicContact CE2-CG1 3.92Å; F101-V123 HydrophobicContact CZ-CG1 3.97Å; F101-I125 HydrophobicContact CE2-CD1 4.39Å; F101-I132 HydrophobicContact CD2-CD1 4.37Å; F101-I132 HydrophobicContact CD2-CG2 3.92Å; F101-I132 HydrophobicContact CE2-CG2 4.03Å; F101-I134 HydrophobicContact CD2-CD1 4.11Å; F101-I134 HydrophobicContact CE2-CD1 3.94Å; F101-F235 HydrophobicContact CB-CZ 4.37Å; F101-F235 HydrophobicContact CD2-CZ 4.38Å; F101-M255 HydrophobicContact CB-CE 3.76Å; F101-M255 HydrophobicContact CB-CG 4.41Å; F101-M255 HydrophobicContact CB-SD 4.29Å; F101-M255 HydrophobicContact CD1-CB 4.27Å; F101-M255 HydrophobicContact CD1-CG 3.89Å; F101-M255 HydrophobicContact CD2-CB 4.39Å; F101-M255 HydrophobicContact CD2-CE 4.35Å; F101-M255 HydrophobicContact CD2-CG 4.03Å; F101-M255 HydrophobicContact CD2-SD 3.8Å; F101-M255 HydrophobicContact CE1-CB 3.99Å; F101-M255 HydrophobicContact CE1-CG 4.14Å; F101-M255 HydrophobicContact CE2-CB 4.1Å; F101-M255 HydrophobicContact CE2-CG 4.25Å; F101-M255 HydrophobicContact CE2-SD 4.26Å; F101-M255 HydrophobicContact CG-CB 4.48Å; F101-M255 HydrophobicContact CG-CE 4.13Å; F101-M255 HydrophobicContact CG-CG 3.85Å; F101-M255 HydrophobicContact CG-SD 4Å; F101-M255 HydrophobicContact CZ-CB 3.88Å; F101-M255 HydrophobicContact CZ-CG 4.3Å; F101-R258 HydrophobicContact CE1-CB 3.93Å; F101-R258 HydrophobicContact CE1-CG 3.93Å
102	D	92.4	Very high	92.2	Very high	8 Å²	8	14.3 Å²	14.3	4%	0.043	7%	0.074	C	C	.	.	H	α-helix	trans	-58.7	-42.4	-179.7	179.2	63.9	0	0	0	112.7	Y98 K99 I104 I105 V106 R258	Y98-D102 PolarHBondContact O-N 2.92Å; K99-D102 HydrophobicContact CD-CB 4.48Å; K99-D102 IonicContact NZ-OD2 2.91Å; K99-D102 PolarHBondContact NZ-OD2 2.83Å; K99-D102 PolarHBondContact O-N 2.94Å; D102-I104 VanDerWaalsContact C-N 3.28Å; D102-I104 PolarHBondContact O-N 3.15Å; D102-I105 PolarHBondContact O-N 3.04Å; D102-V106 VanDerWaalsContact O-CB 3.29Å; D102-V106 WeakPolarHBondContact O-CB 3.43Å; D102-V106 VanDerWaalsContact O-CG2 3.22Å; D102-V106 WeakPolarHBondContact O-CG2 3.2Å; D102-V106 PolarHBondContact O-N 3Å; D102-R258 IonicContact OD1-CZ 3.3Å; D102-R258 IonicContact OD1-NE 2.69Å; D102-R258 PolarHBondContact OD1-NE 2.88Å; D102-R258 IonicContact OD1-NH2 3.49Å; D102-R258 PolarHBondContact OD1-NH2 3.31Å
103	E	90.6	Very high	91.9	Very high	10 Å²	10	15.4 Å²	15.4	5%	0.047	8%	0.075	C	C	.	.	H	α-helix	trans	-64.8	-29.4	177.3	-68.9	-67.5	117.8	0	0	112.8	K99 F101 N107 G182 K395	K99-E103 WeakPolarHBondContact CE-OE1 3.42Å; K99-E103 IonicContact NZ-OE1 2.91Å; K99-E103 PolarHBondContact NZ-OE1 2.89Å; K99-E103 PolarHBondContact O-N 3.44Å; F101-E103 PolarHBondContact O-N 3.34Å; E103-N107 PolarHBondContact O-N 3.46Å; E103-N107 PolarHBondContact O-ND2 3.24Å; E103-G182 WeakPolarHBondContact OE2-CA 3.28Å; E103-K395 VanDerWaalsContact OE1-CE 3.26Å; E103-K395 WeakPolarHBondContact OE1-CE 3.36Å; E103-K395 IonicContact OE1-NZ 3.57Å; E103-K395 PolarHBondContact OE1-NZ 3.01Å; E103-K395 IonicContact OE2-NZ 2.69Å; E103-K395 PolarHBondContact OE2-NZ 3.49Å
104	I	93.8	Very high	91.5	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.026	9%	0.093	C	C	.	.	H	α-helix	trans	-76.6	-44.6	174.9	-58.8	-54.6	0	0	0	111.3	F101 D102 V106 N107 A108 I134 A183 C186 F193 V233 F235	F101-I104 PolarHBondContact O-N 3.44Å; F101-I104 VanDerWaalsContact O-N 3.1Å; D102-I104 VanDerWaalsContact C-N 3.28Å; D102-I104 PolarHBondContact O-N 3.15Å; I104-V106 VanDerWaalsContact C-N 3.31Å; I104-V106 PolarHBondContact O-N 2.89Å; I104-N107 PolarHBondContact O-N 3.39Å; I104-N107 VanDerWaalsContact O-N 3.16Å; I104-A108 PolarHBondContact O-N 3.1Å; I104-A108 VanDerWaalsContact O-N 3.09Å; I104-I134 HydrophobicContact CB-CD1 3.92Å; I104-I134 HydrophobicContact CG2-CB 3.96Å; I104-I134 HydrophobicContact CG2-CD1 3.62Å; I104-I134 HydrophobicContact CG2-CG1 4.34Å; I104-I134 HydrophobicContact CG2-CG2 4.24Å; I104-A183 HydrophobicContact CD1-CB 4.24Å; I104-C186 HydrophobicContact CD1-CB 3.87Å; I104-C186 HydrophobicContact CG1-CB 3.87Å; I104-F193 HydrophobicContact CD1-CE2 4.29Å; I104-F193 HydrophobicContact CD1-CZ 4.34Å; I104-V233 HydrophobicContact CD1-CG1 4.13Å; I104-V233 HydrophobicContact CG1-CG1 4.32Å; I104-V233 HydrophobicContact CG2-CB 3.79Å; I104-V233 HydrophobicContact CG2-CG1 3.88Å; I104-V233 HydrophobicContact CG2-CG2 4.25Å; I104-F235 HydrophobicContact CG1-CE1 4.39Å
105	I	93.4	Very high	91.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68.3	-31.2	179.6	-151.7	179.6	0	0	0	112.1	F101 D102 A108 A109 V123 I134 R258 I262	F101-I105 HydrophobicContact CE1-CB 4.48Å; F101-I105 HydrophobicContact CE1-CD1 4.24Å; F101-I105 HydrophobicContact CE1-CG2 4.25Å; F101-I105 HydrophobicContact CZ-CD1 4.08Å; F101-I105 PolarHBondContact O-N 2.98Å; D102-I105 PolarHBondContact O-N 3.04Å; I105-A108 PolarHBondContact O-N 3.18Å; I105-A109 WeakPolarHBondContact O-CB 3.42Å; I105-A109 PolarHBondContact O-N 2.68Å; I105-V123 HydrophobicContact CD1-CG2 3.81Å; I105-V123 HydrophobicContact CG1-CG2 4.35Å; I105-I134 HydrophobicContact CB-CD1 4.02Å; I105-I134 HydrophobicContact CG1-CD1 4.46Å; I105-R258 HydrophobicContact CG2-CG 4.07Å; I105-I262 HydrophobicContact CD1-CB 4.47Å; I105-I262 HydrophobicContact CD1-CG1 3.86Å; I105-I262 HydrophobicContact CG1-CG1 4.09Å; I105-I262 HydrophobicContact CG2-CG1 4.39Å
106	V	91.2	Very high	91.1	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	12%	0.124	C	C	.	.	H	α-helix	trans	-68.2	-37.3	171.2	170.3	0	0	0	0	111.6	D102 I104 A108 A109 D110 R258 I333	D102-V106 VanDerWaalsContact O-CB 3.29Å; D102-V106 WeakPolarHBondContact O-CB 3.43Å; D102-V106 VanDerWaalsContact O-CG2 3.22Å; D102-V106 WeakPolarHBondContact O-CG2 3.2Å; D102-V106 PolarHBondContact O-N 3Å; I104-V106 VanDerWaalsContact C-N 3.31Å; I104-V106 PolarHBondContact O-N 2.89Å; V106-A108 VanDerWaalsContact C-N 3.34Å; V106-A108 PolarHBondContact O-N 2.91Å; V106-A109 PolarHBondContact O-N 3.11Å; V106-D110 WeakPolarHBondContact O-CB 3.48Å; V106-D110 PolarHBondContact O-N 3.24Å; V106-R258 VanDerWaalsContact CG2-NH2 3.25Å; V106-I333 HydrophobicContact CG1-CG1 4.14Å; V106-I333 HydrophobicContact CG2-CG1 4.34Å
107	N	90.3	Very high	91	Very high	53 Å²	53	34.3 Å²	34.3	28%	0.283	16%	0.162	S	C	.	.	H	α-helix	trans	-64.6	-37.1	173.5	-81.7	-57.9	0	0	0	112.2	E103 I104 N111	E103-N107 PolarHBondContact O-N 3.46Å; E103-N107 PolarHBondContact O-ND2 3.24Å; I104-N107 PolarHBondContact O-N 3.39Å; I104-N107 VanDerWaalsContact O-N 3.16Å; N107-N111 PolarHBondContact O-N 2.89Å
108	A	92.8	Very high	90.9	Very high	3 Å²	3	34.3 Å²	34.3	3%	0.025	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-40.3	172.2	0	0	0	0	0	112	I104 I105 V106 N111 M118 I121 I134 N136	I104-A108 PolarHBondContact O-N 3.1Å; I104-A108 VanDerWaalsContact O-N 3.09Å; I105-A108 PolarHBondContact O-N 3.18Å; V106-A108 VanDerWaalsContact C-N 3.34Å; V106-A108 PolarHBondContact O-N 2.91Å; A108-N111 PolarHBondContact O-N 2.88Å; A108-M118 WeakPolarHBondContact O-CE 3.41Å; A108-I121 HydrophobicContact CB-CD1 4.19Å; A108-I134 HydrophobicContact CB-CG2 3.95Å; A108-N136 HydrophobicContact CB-CB 4.16Å
109	A	91.8	Very high	90.9	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.017	17%	0.17	C	C	.	.	H	α-helix	trans	-66.3	-41.2	175	0	0	0	0	0	113	I105 V106 N111 K112 I262	I105-A109 WeakPolarHBondContact O-CB 3.42Å; I105-A109 PolarHBondContact O-N 2.68Å; V106-A109 PolarHBondContact O-N 3.11Å; A109-N111 PolarHBondContact O-N 2.96Å; A109-K112 VanDerWaalsContact O-CB 3.24Å; A109-K112 WeakPolarHBondContact O-CB 3.38Å; A109-K112 PolarHBondContact O-N 3.08Å; A109-I262 HydrophobicContact CB-CD1 4.01Å
110	D	89.7	Confident	91.1	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-57	-29.8	175.2	-93.4	-5.9	0	0	0	111.9	V106 K112 Q113 R114 T175 G176 G177	V106-D110 WeakPolarHBondContact O-CB 3.48Å; V106-D110 PolarHBondContact O-N 3.24Å; D110-K112 PolarHBondContact O-N 2.79Å; D110-Q113 WeakPolarHBondContact O-CB 3.44Å; D110-Q113 PolarHBondContact O-N 3Å; D110-R114 PolarHBondContact O-N 3.21Å; D110-T175 HydrophobicContact CB-CG2 4.26Å; D110-T175 WeakPolarHBondContact OD1-CA 3.5Å; D110-T175 WeakPolarHBondContact OD1-CB 3.45Å; D110-T175 WeakPolarHBondContact OD2-CB 3.42Å; D110-G176 PolarHBondContact OD1-N 2.85Å; D110-G176 PolarHBondContact OD2-N 3.41Å; D110-G177 PolarHBondContact OD2-N 3.23Å
111	N	91.2	Very high	91.3	Very high	15 Å²	15	35.3 Å²	35.3	8%	0.08	17%	0.171	C	C	.	.	H	α-helix	trans	-66.4	-19.3	177.2	-147.9	45.3	0	0	0	113.1	N107 A108 A109 Q113 R114 D115 M118 N136 K139	N107-N111 PolarHBondContact O-N 2.89Å; A108-N111 PolarHBondContact O-N 2.88Å; A109-N111 PolarHBondContact O-N 2.96Å; N111-Q113 VanDerWaalsContact C-N 3.31Å; N111-Q113 PolarHBondContact O-N 3.26Å; N111-R114 PolarHBondContact O-N 3.29Å; N111-D115 PolarHBondContact O-N 3.43Å; N111-M118 HydrophobicContact CB-SD 3.85Å; N111-N136 PolarHBondContact ND2-ND2 2.99Å; N111-K139 PolarHBondContact ND2-O 3.48Å
112	K	90.7	Very high	91.4	Very high	42 Å²	42	39.1 Å²	39.1	18%	0.183	19%	0.188	C	C	.	.	H	α-helix	trans	-65.5	-33.2	169.2	-172	51.1	174.3	178.1	0	112.9	A109 D110 D115 A116 M118 G267 V269	A109-K112 VanDerWaalsContact O-CB 3.24Å; A109-K112 WeakPolarHBondContact O-CB 3.38Å; A109-K112 PolarHBondContact O-N 3.08Å; D110-K112 PolarHBondContact O-N 2.79Å; K112-D115 CarbonylContact O-C 3.59Å; K112-A116 PolarHBondContact NZ-O 2.97Å; K112-M118 HydrophobicContact CB-CE 3.67Å; K112-M118 HydrophobicContact CD-CB 4.28Å; K112-M118 WeakPolarHBondContact CD-O 3.27Å; K112-M118 PolarHBondContact NZ-O 3.44Å; K112-G267 VanDerWaalsContact CE-O 3.29Å; K112-G267 WeakPolarHBondContact CE-O 3.36Å; K112-V269 HydrophobicContact CB-CG2 4.41Å; K112-V269 HydrophobicContact CD-CG2 3.74Å; K112-V269 HydrophobicContact CG-CG2 3.95Å
113	Q	86.9	Confident	91.6	Very high	83 Å²	83	38.8 Å²	38.8	39%	0.388	19%	0.186	S	C	.	.	H	α-helix	trans	-80.8	-25	178.8	-54.3	-61.9	-20	0	0	111.5	D110 N111 V174 T175	D110-Q113 WeakPolarHBondContact O-CB 3.44Å; D110-Q113 PolarHBondContact O-N 3Å; N111-Q113 VanDerWaalsContact C-N 3.31Å; N111-Q113 PolarHBondContact O-N 3.26Å; Q113-V174 HydrophobicContact CB-CG2 4.49Å; Q113-V174 HydrophobicContact CG-CG2 4.33Å; Q113-T175 HydrophobicContact CB-CG2 4.48Å
114	R	85.6	Confident	92	Very high	128 Å²	128	40.5 Å²	40.5	48%	0.483	20%	0.196	S	C	.	.	H	α-helix	trans	-83.3	-42.2	175.5	-63.8	175.1	176.8	169.6	-1	112.8	D110 N111 S165	D110-R114 PolarHBondContact O-N 3.21Å; N111-R114 PolarHBondContact O-N 3.29Å; R114-S165 PolarHBondContact NH2-OG 3.43Å
115	D	88.8	Confident	92.1	Very high	29 Å²	29	40.7 Å²	40.7	16%	0.155	20%	0.197	C	C	.	.			trans	-129.2	104.8	175.3	179.5	15.3	0	0	0	110.9	N111 K112 R117 M118 G138 K139	N111-D115 PolarHBondContact O-N 3.43Å; K112-D115 CarbonylContact O-C 3.59Å; D115-R117 PolarHBondContact O-N 2.98Å; D115-R117 WeakPolarHBondContact OD1-CB 3.36Å; D115-R117 WeakPolarHBondContact OD1-CG 3.31Å; D115-R117 PolarHBondContact OD1-N 2.65Å; D115-M118 WeakPolarHBondContact O-CB 3.45Å; D115-M118 PolarHBondContact O-N 3.12Å; D115-G138 WeakPolarHBondContact OD2-CA 3.49Å; D115-K139 HydrophobicContact CB-CB 4.01Å; D115-K139 PolarHBondContact OD2-N 3.48Å
116	A	87	Confident	92.1	Very high	81 Å²	81	43.7 Å²	43.7	67%	0.669	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.3	176.8	0	0	0	0	0	113.5	K112 M118	K112-A116 PolarHBondContact NZ-O 2.97Å; A116-M118 VanDerWaalsContact C-N 3.32Å
117	R	89.2	Confident	92.2	Very high	210 Å²	210	47.4 Å²	47.4	79%	0.792	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-18.6	178.3	-58	173.7	172.8	173.9	-1.2	113.5	D115 N119	D115-R117 PolarHBondContact O-N 2.98Å; D115-R117 WeakPolarHBondContact OD1-CB 3.36Å; D115-R117 WeakPolarHBondContact OD1-CG 3.31Å; D115-R117 PolarHBondContact OD1-N 2.65Å; R117-N119 PolarHBondContact O-N 2.78Å; R117-N119 PolarHBondContact O-ND2 3.38Å; R117-N119 VanDerWaalsContact O-ND2 3.12Å
118	M	93	Very high	92.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.257	C	S	.	.			trans	-55.9	130	175.6	-172.2	-177.2	94.3	0	0	110.3	A108 N111 K112 D115 A116 I121 N136 N137 V269	A108-M118 WeakPolarHBondContact O-CE 3.41Å; N111-M118 HydrophobicContact CB-SD 3.85Å; K112-M118 HydrophobicContact CB-CE 3.67Å; K112-M118 HydrophobicContact CD-CB 4.28Å; K112-M118 WeakPolarHBondContact CD-O 3.27Å; K112-M118 PolarHBondContact NZ-O 3.44Å; D115-M118 WeakPolarHBondContact O-CB 3.45Å; D115-M118 PolarHBondContact O-N 3.12Å; A116-M118 VanDerWaalsContact C-N 3.32Å; M118-I121 HydrophobicContact CE-CD1 3.75Å; M118-I121 HydrophobicContact CE-CG1 3.92Å; M118-N136 HydrophobicContact SD-CB 4.02Å; M118-N137 VanDerWaalsContact CG-O 3.25Å; M118-N137 WeakPolarHBondContact CG-O 3.32Å; M118-N137 WeakPolarHBondContact CG-OD1 3.32Å; M118-V269 HydrophobicContact CE-CG1 4.16Å; M118-V269 HydrophobicContact CE-CG2 3.82Å
119	N	93.1	Very high	92.3	Very high	57 Å²	57	56 Å²	56	31%	0.305	28%	0.283	S	S	.	.			trans	-144.3	4.8	-173	65.9	62.6	0	0	0	114	R117 N137 R270	R117-N119 PolarHBondContact O-N 2.78Å; R117-N119 PolarHBondContact O-ND2 3.38Å; R117-N119 VanDerWaalsContact O-ND2 3.12Å; N119-N137 PolarHBondContact N-OD1 3.1Å; N119-N137 PolarHBondContact OD1-ND2 3.25Å; N119-R270 WeakPolarHBondContact O-CB 3.19Å; N119-R270 PolarHBondContact O-N 3.22Å; N119-R270 PolarHBondContact O-NE 3.24Å; N119-R270 PolarHBondContact OD1-NH2 2.87Å
120	C	95.1	Very high	92.5	Very high	11 Å²	11	57.6 Å²	57.6	7%	0.074	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	125.7	-177.3	-165.8	0	0	0	0	111.3	W135 N137 R270	C120-W135 HydrophobicContact CB-CZ3 4.1Å; C120-N137 PolarHBondContact N-OD1 2.88Å; C120-N137 PolarHBondContact O-N 3.3Å; C120-N137 PolarHBondContact O-OD1 3.15Å; C120-R270 WeakPolarHBondContact CA-O 3.5Å
121	I	96.3	Very high	92.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.7	164.8	-66.7	174.6	0	0	0	107.5	A108 M118 V123 W135 N136 I262 V269 R270 V271 Y272	A108-I121 HydrophobicContact CB-CD1 4.19Å; M118-I121 HydrophobicContact CE-CD1 3.75Å; M118-I121 HydrophobicContact CE-CG1 3.92Å; I121-V123 HydrophobicContact CG2-CG2 4.17Å; I121-W135 CarbonylContact C-O 3.23Å; I121-W135 WeakPolarHBondContact CA-O 3.47Å; I121-N136 HydrophobicContact CG1-CB 4.1Å; I121-I262 HydrophobicContact CD1-CG2 4.01Å; I121-V269 HydrophobicContact CB-CG1 4.27Å; I121-V269 HydrophobicContact CD1-CG1 3.99Å; I121-V269 HydrophobicContact CG1-CG1 3.81Å; I121-R270 PolarHBondContact N-O 2.94Å; I121-V271 CarbonylContact O-C 3.58Å; I121-V271 WeakPolarHBondContact O-CA 3.2Å; I121-Y272 PolarHBondContact O-N 2.98Å
122	K	97.2	Very high	93	Very high	80 Å²	80	58.9 Å²	58.9	35%	0.348	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.2	173.1	-53.8	174.5	-176.3	172.7	0	108.8	I134 W135 Y272	K122-I134 WeakPolarHBondContact O-CA 3.14Å; K122-W135 HydrophobicContact CB-CB 4.36Å; K122-W135 HydrophobicContact CB-CE3 4.39Å; K122-W135 HydrophobicContact CD-CD2 4.31Å; K122-W135 HydrophobicContact CD-CE3 3.74Å; K122-W135 HydrophobicContact CD-CZ3 4.17Å; K122-W135 HydrophobicContact CG-CE3 3.83Å; K122-W135 HydrophobicContact CG-CZ3 4.35Å; K122-W135 PolarHBondContact N-O 3.15Å; K122-W135 PolarHBondContact O-N 3.47Å; K122-Y272 WeakPolarHBondContact CA-O 3.07Å; K122-Y272 HydrophobicContact CG-CD2 4.31Å; K122-Y272 HydrophobicContact CG-CG 4.44Å
123	V	97.1	Very high	93.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	109.8	177.4	-177.1	0	0	0	0	106.9	F101 I105 I121 I125 I134 A259 Y272 L273 N274	F101-V123 HydrophobicContact CE2-CG1 3.92Å; F101-V123 HydrophobicContact CZ-CG1 3.97Å; I105-V123 HydrophobicContact CD1-CG2 3.81Å; I105-V123 HydrophobicContact CG1-CG2 4.35Å; I121-V123 HydrophobicContact CG2-CG2 4.17Å; V123-I125 HydrophobicContact CG1-CD1 4.22Å; V123-I125 HydrophobicContact CG1-CG1 4.05Å; V123-I134 HydrophobicContact CG1-CG1 4.33Å; V123-I134 HydrophobicContact CG2-CG1 4.45Å; V123-A259 HydrophobicContact CG2-CB 4.32Å; V123-Y272 PolarHBondContact N-O 2.82Å; V123-L273 HydrophobicContact CB-CD1 4.24Å; V123-L273 HydrophobicContact CG1-CD1 4.14Å; V123-L273 CarbonylContact O-C 3.57Å; V123-L273 VanDerWaalsContact O-CA 3.3Å; V123-L273 WeakPolarHBondContact O-CA 3.47Å; V123-N274 PolarHBondContact O-N 3.46Å
124	D	97.1	Very high	93.9	Very high	47 Å²	47	56.4 Å²	56.4	25%	0.251	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.5	176	-50.5	-48.3	0	0	0	108.1	I132 K133 N274	D124-I132 WeakPolarHBondContact O-CA 3.18Å; D124-K133 HydrophobicContact CB-CB 4.3Å; D124-K133 PolarHBondContact N-O 3.24Å; D124-K133 PolarHBondContact O-N 2.85Å; D124-K133 IonicContact OD2-NZ 2.7Å; D124-N274 WeakPolarHBondContact CA-OD1 3.43Å
125	I	96.1	Very high	94.4	Very high	9 Å²	9	52.7 Å²	52.7	5%	0.046	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	112.3	179.9	-56.6	171.9	0	0	0	107.5	F101 V123 I132 L247 V252 M255 L273 N274	F101-I125 HydrophobicContact CE2-CD1 4.39Å; V123-I125 HydrophobicContact CG1-CD1 4.22Å; V123-I125 HydrophobicContact CG1-CG1 4.05Å; I125-I132 HydrophobicContact CG1-CG2 4.5Å; I125-I132 HydrophobicContact CG2-CG1 4.47Å; I125-L247 HydrophobicContact CG2-CD1 4.46Å; I125-V252 HydrophobicContact CG2-CG1 4.45Å; I125-V252 HydrophobicContact CG2-CG2 4.13Å; I125-M255 HydrophobicContact CD1-CB 3.61Å; I125-L273 HydrophobicContact CD1-CD1 4.07Å; I125-N274 PolarHBondContact N-OD1 2.8Å; I125-N274 PolarHBondContact O-ND2 3.33Å; I125-N274 PolarHBondContact O-OD1 2.91Å
126	N	95.1	Very high	94.7	Very high	63 Å²	63	51.9 Å²	51.9	34%	0.337	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	93.2	-178.3	-169.7	-40.7	0	0	0	110.1	A128 K129 N130 E131	N126-A128 PolarHBondContact O-N 3.46Å; N126-A128 PolarHBondContact OD1-N 3.28Å; N126-K129 HydrophobicContact CB-CB 4.43Å; N126-K129 PolarHBondContact O-N 2.91Å; N126-K129 PolarHBondContact OD1-N 2.99Å; N126-K129 VanDerWaalsContact OD1-N 3.11Å; N126-N130 PolarHBondContact O-N 2.94Å; N126-E131 HydrophobicContact CB-CB 4.37Å; N126-E131 WeakPolarHBondContact CB-O 3.43Å; N126-E131 PolarHBondContact N-O 3.43Å; N126-E131 PolarHBondContact O-N 2.77Å
127	Q	93	Very high	95.1	Very high	79 Å²	79	48.7 Å²	48.7	37%	0.369	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-52	-52.2	176.6	-73.8	176.2	-61.8	0	0	111.8	K129 N130 L247 D249 V252	Q127-K129 PolarHBondContact O-N 2.65Å; Q127-N130 PolarHBondContact O-N 3.06Å; Q127-N130 PolarHBondContact O-OD1 3.46Å; Q127-L247 HydrophobicContact CG-CB 4.33Å; Q127-L247 WeakPolarHBondContact CG-O 3.35Å; Q127-L247 PolarHBondContact NE2-O 3.16Å; Q127-D249 PolarHBondContact NE2-OD1 3.34Å; Q127-V252 HydrophobicContact CG-CG2 3.73Å
128	A	91.5	Very high	95.1	Very high	103 Å²	103	39.2 Å²	39.2	85%	0.851	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-61.8	-11.7	-177.1	0	0	0	0	0	115	N126	N126-A128 PolarHBondContact O-N 3.46Å; N126-A128 PolarHBondContact OD1-N 3.28Å
129	K	93.4	Very high	95	Very high	135 Å²	135	43.3 Å²	43.3	59%	0.587	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-117.5	-0.5	173	-65.5	-173.3	179	-175.6	0	113.6	N126 Q127 E131	N126-K129 HydrophobicContact CB-CB 4.43Å; N126-K129 PolarHBondContact O-N 2.91Å; N126-K129 PolarHBondContact OD1-N 2.99Å; N126-K129 VanDerWaalsContact OD1-N 3.11Å; Q127-K129 PolarHBondContact O-N 2.65Å; K129-E131 HydrophobicContact CB-CB 3.73Å; K129-E131 PolarHBondContact O-N 2.89Å
130	N	94.6	Very high	94.8	Very high	34 Å²	34	40.9 Å²	40.9	18%	0.182	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	41.4	-167.3	-64.6	-48.9	0	0	0	112	N126 Q127 T236 P237 L239 T245 E246 L247	N126-N130 PolarHBondContact O-N 2.94Å; Q127-N130 PolarHBondContact O-N 3.06Å; Q127-N130 PolarHBondContact O-OD1 3.46Å; N130-T236 WeakPolarHBondContact O-CA 3.18Å; N130-P237 VanDerWaalsContact O-CD 3.31Å; N130-P237 WeakPolarHBondContact O-CD 3.3Å; N130-L239 HydrophobicContact CB-CD1 3.91Å; N130-L239 VanDerWaalsContact CG-CD1 3.49Å; N130-T245 PolarHBondContact ND2-O 3.03Å; N130-E246 VanDerWaalsContact OD1-CA 3.28Å; N130-E246 WeakPolarHBondContact OD1-CA 3.35Å; N130-L247 HydrophobicContact CB-CG 4.43Å; N130-L247 PolarHBondContact OD1-N 3.29Å
131	E	96.2	Very high	94.6	Very high	46 Å²	46	41.4 Å²	41.4	22%	0.215	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.6	-167	-179.2	-177.7	113.1	0	0	110.1	N126 K129 K234	N126-E131 HydrophobicContact CB-CB 4.37Å; N126-E131 WeakPolarHBondContact CB-O 3.43Å; N126-E131 PolarHBondContact N-O 3.43Å; N126-E131 PolarHBondContact O-N 2.77Å; K129-E131 HydrophobicContact CB-CB 3.73Å; K129-E131 PolarHBondContact O-N 2.89Å; E131-K234 HydrophobicContact CG-CG 4.46Å; E131-K234 WeakPolarHBondContact OE1-CE 3.44Å; E131-K234 IonicContact OE1-NZ 3.2Å; E131-K234 PolarHBondContact OE1-NZ 2.85Å; E131-K234 WeakPolarHBondContact OE2-CE 3.24Å; E131-K234 IonicContact OE2-NZ 2.71Å; E131-K234 PolarHBondContact OE2-NZ 2.77Å
132	I	97.2	Very high	94.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.7	-179.7	-57.5	167.7	0	0	0	109.2	F101 D124 I125 K234 F235 P237 L247 M255	F101-I132 HydrophobicContact CD2-CD1 4.37Å; F101-I132 HydrophobicContact CD2-CG2 3.92Å; F101-I132 HydrophobicContact CE2-CG2 4.03Å; D124-I132 WeakPolarHBondContact O-CA 3.18Å; I125-I132 HydrophobicContact CG1-CG2 4.5Å; I125-I132 HydrophobicContact CG2-CG1 4.47Å; I132-K234 CarbonylContact O-C 3.52Å; I132-K234 WeakPolarHBondContact O-CA 3.46Å; I132-F235 HydrophobicContact CB-CD1 4.22Å; I132-F235 HydrophobicContact CB-CE1 3.79Å; I132-F235 HydrophobicContact CB-CE2 4.19Å; I132-F235 HydrophobicContact CB-CZ 3.77Å; I132-F235 HydrophobicContact CD1-CE2 3.84Å; I132-F235 HydrophobicContact CD1-CZ 3.83Å; I132-F235 HydrophobicContact CG1-CZ 4.4Å; I132-F235 HydrophobicContact CG2-CD1 4.43Å; I132-F235 HydrophobicContact CG2-CE1 3.63Å; I132-F235 HydrophobicContact CG2-CZ 3.74Å; I132-F235 PolarHBondContact N-O 2.99Å; I132-F235 PolarHBondContact O-N 3.13Å; I132-P237 HydrophobicContact CD1-CG 4.21Å; I132-L247 HydrophobicContact CD1-CD1 4.17Å; I132-L247 HydrophobicContact CG1-CD1 4.09Å; I132-M255 HydrophobicContact CD1-CE 3.81Å; I132-M255 HydrophobicContact CD1-SD 3.64Å
133	K	97.2	Very high	94.1	Very high	70 Å²	70	39.5 Å²	39.5	30%	0.304	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	126.6	179.7	178.4	-170.2	174.1	-159.6	0	110.2	D124 C232 V233 K234	D124-K133 HydrophobicContact CB-CB 4.3Å; D124-K133 PolarHBondContact N-O 3.24Å; D124-K133 PolarHBondContact O-N 2.85Å; D124-K133 IonicContact OD2-NZ 2.7Å; K133-C232 VanDerWaalsContact CE-SG 3.51Å; K133-V233 WeakPolarHBondContact CA-O 3.38Å; K133-K234 HydrophobicContact CB-CB 4.42Å; K133-K234 HydrophobicContact CB-CG 4.47Å; K133-K234 HydrophobicContact CG-CB 4.33Å
134	I	97.3	Very high	93.9	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.015	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.8	177.2	-66	166.5	0	0	0	107.8	F101 I104 I105 A108 K122 V123 C232 V233 F235	F101-I134 HydrophobicContact CD2-CD1 4.11Å; F101-I134 HydrophobicContact CE2-CD1 3.94Å; I104-I134 HydrophobicContact CB-CD1 3.92Å; I104-I134 HydrophobicContact CG2-CB 3.96Å; I104-I134 HydrophobicContact CG2-CD1 3.62Å; I104-I134 HydrophobicContact CG2-CG1 4.34Å; I104-I134 HydrophobicContact CG2-CG2 4.24Å; I105-I134 HydrophobicContact CB-CD1 4.02Å; I105-I134 HydrophobicContact CG1-CD1 4.46Å; A108-I134 HydrophobicContact CB-CG2 3.95Å; K122-I134 WeakPolarHBondContact O-CA 3.14Å; V123-I134 HydrophobicContact CG1-CG1 4.33Å; V123-I134 HydrophobicContact CG2-CG1 4.45Å; I134-C232 WeakPolarHBondContact O-CA 3.39Å; I134-V233 PolarHBondContact N-O 3.27Å; I134-V233 PolarHBondContact O-N 3.22Å; I134-F235 HydrophobicContact CD1-CE1 4.5Å
135	W	96.9	Very high	93.6	Very high	49 Å²	49	45 Å²	45	19%	0.186	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137	-178.4	178.4	98.9	0	0	0	110.2	C120 I121 K122 N137 Y230 T231	C120-W135 HydrophobicContact CB-CZ3 4.1Å; I121-W135 CarbonylContact C-O 3.23Å; I121-W135 WeakPolarHBondContact CA-O 3.47Å; K122-W135 HydrophobicContact CB-CB 4.36Å; K122-W135 HydrophobicContact CB-CE3 4.39Å; K122-W135 HydrophobicContact CD-CD2 4.31Å; K122-W135 HydrophobicContact CD-CE3 3.74Å; K122-W135 HydrophobicContact CD-CZ3 4.17Å; K122-W135 HydrophobicContact CG-CE3 3.83Å; K122-W135 HydrophobicContact CG-CZ3 4.35Å; K122-W135 PolarHBondContact N-O 3.15Å; K122-W135 PolarHBondContact O-N 3.47Å; W135-N137 HydrophobicContact CH2-CB 3.76Å; W135-N137 HydrophobicContact CZ2-CB 4.46Å; W135-N137 HydrophobicContact CZ3-CB 4.12Å; W135-Y230 AromaticContact CD1-CD2 3.87Å; W135-Y230 HydrophobicContact CZ2-CG 4.45Å; W135-Y230 AromaticContact NE1-CD2 3.38Å; W135-Y230 AromaticContact NE1-CG 3.55Å; W135-T231 WeakPolarHBondContact CA-O 3.36Å
136	N	95.6	Very high	93.4	Very high	12 Å²	12	47.9 Å²	47.9	6%	0.064	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	148.8	172.4	67.7	-97	0	0	0	111.3	A108 N111 M118 I121 Y230 T231	A108-N136 HydrophobicContact CB-CB 4.16Å; N111-N136 PolarHBondContact ND2-ND2 2.99Å; M118-N136 HydrophobicContact SD-CB 4.02Å; I121-N136 HydrophobicContact CG1-CB 4.1Å; N136-Y230 VanDerWaalsContact O-CA 3.29Å; N136-Y230 WeakPolarHBondContact O-CA 3.2Å; N136-Y230 WeakPolarHBondContact O-CB 3.44Å; N136-T231 PolarHBondContact N-O 2.67Å; N136-T231 PolarHBondContact O-N 2.92Å
137	N	94.2	Very high	93.2	Very high	15 Å²	15	54.3 Å²	54.3	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-163.9	164.7	73.7	-10.5	0	0	0	111.4	M118 N119 C120 W135	M118-N137 VanDerWaalsContact CG-O 3.25Å; M118-N137 WeakPolarHBondContact CG-O 3.32Å; M118-N137 WeakPolarHBondContact CG-OD1 3.32Å; N119-N137 PolarHBondContact N-OD1 3.1Å; N119-N137 PolarHBondContact OD1-ND2 3.25Å; C120-N137 PolarHBondContact N-OD1 2.88Å; C120-N137 PolarHBondContact O-N 3.3Å; C120-N137 PolarHBondContact O-OD1 3.15Å; W135-N137 HydrophobicContact CH2-CB 3.76Å; W135-N137 HydrophobicContact CZ2-CB 4.46Å; W135-N137 HydrophobicContact CZ3-CB 4.12Å
138	G	90.9	Very high	93	Very high	11 Å²	11	55.6 Å²	55.6	11%	0.113	29%	0.289	C	S	.	.	S	Bend	trans	74.1	174.2	-169.9	0	0	0	0	0	111.4	D115 G140 D229	D115-G138 WeakPolarHBondContact OD2-CA 3.49Å; G138-G140 PolarHBondContact O-N 2.89Å; G138-D229 CarbonylContact O-C 3.55Å; G138-D229 WeakPolarHBondContact O-CB 3.41Å
139	K	90.3	Very high	93	Very high	86 Å²	86	55.5 Å²	55.5	37%	0.374	27%	0.271	S	S	.	.	S	Bend	trans	-45.1	123.7	-171.2	-177.2	163.9	175.7	167.2	0	113	N111 D115 E201 D229	N111-K139 PolarHBondContact ND2-O 3.48Å; D115-K139 HydrophobicContact CB-CB 4.01Å; D115-K139 PolarHBondContact OD2-N 3.48Å; K139-E201 VanDerWaalsContact CE-OE2 3.32Å; K139-E201 WeakPolarHBondContact CE-OE2 3.46Å; K139-E201 IonicContact NZ-OE1 3.97Å; K139-E201 IonicContact NZ-OE2 3.76Å; K139-E201 PolarHBondContact NZ-OE2 2.73Å; K139-D229 WeakPolarHBondContact CA-OD2 3.27Å
140	G	88.5	Confident	92.8	Very high	5 Å²	5	57 Å²	57	5%	0.052	28%	0.277	C	S	.	.			trans	-81.9	178.4	178.9	0	0	0	0	0	112.7	G138 S198 D229	G138-G140 PolarHBondContact O-N 2.89Å; G140-S198 WeakPolarHBondContact CA-O 3.37Å; G140-D229 PolarHBondContact N-OD2 2.81Å
141	I	91.4	Very high	92.7	Very high	22 Å²	22	58 Å²	58	11%	0.113	28%	0.281	C	S	.	.			trans	-77.4	135	-178.9	-58.4	156.3	0	0	0	109.3	V143 V153 P154 I157 F158 T197 S199 T231	I141-V143 PolarHBondContact O-N 2.72Å; I141-V143 VanDerWaalsContact O-N 3.1Å; I141-V153 HydrophobicContact CG2-CG1 4.03Å; I141-P154 HydrophobicContact CB-CG 4.33Å; I141-P154 HydrophobicContact CG2-CB 4.25Å; I141-P154 HydrophobicContact CG2-CG 3.75Å; I141-I157 HydrophobicContact CD1-CD1 4.09Å; I141-I157 HydrophobicContact CG1-CD1 4.23Å; I141-I157 HydrophobicContact CG2-CD1 3.72Å; I141-F158 HydrophobicContact CD1-CE2 3.59Å; I141-F158 HydrophobicContact CD1-CZ 4.31Å; I141-T197 HydrophobicContact CB-CG2 4.14Å; I141-T197 HydrophobicContact CD1-CG2 4.38Å; I141-T197 PolarHBondContact N-OG1 2.83Å; I141-S199 WeakPolarHBondContact O-CB 3.46Å; I141-T231 HydrophobicContact CD1-CG2 3.75Å; I141-T231 HydrophobicContact CG1-CG2 4.48Å
142	P	91.5	Very high	92.5	Very high	38 Å²	38	58 Å²	58	25%	0.247	28%	0.281	C	S	.	.			trans	-53.4	114.3	177	-30.6	38	0	0	0	113.2	V144 V153 P154 Y202	P142-V144 VanDerWaalsContact C-N 3.25Å; P142-V144 HydrophobicContact CB-CG1 3.91Å; P142-V144 PolarHBondContact O-N 2.83Å; P142-V153 WeakPolarHBondContact O-CB 3.2Å; P142-P154 WeakPolarHBondContact O-CD 3.46Å; P142-Y202 HydrophobicContact CB-CD2 4.07Å; P142-Y202 HydrophobicContact CB-CE2 3.58Å; P142-Y202 HydrophobicContact CG-CE2 4.08Å
143	V	91.5	Very high	92.3	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.012	29%	0.289	C	S	.	.			trans	-86.2	71.8	176.6	-174.3	0	0	0	0	109.7	I141 T197 K204 F206 I222	I141-V143 PolarHBondContact O-N 2.72Å; I141-V143 VanDerWaalsContact O-N 3.1Å; V143-T197 HydrophobicContact CG2-CG2 4.35Å; V143-K204 HydrophobicContact CB-CB 3.79Å; V143-K204 HydrophobicContact CB-CD 4.43Å; V143-K204 HydrophobicContact CG1-CB 3.64Å; V143-K204 HydrophobicContact CG1-CD 3.89Å; V143-K204 HydrophobicContact CG1-CG 4.43Å; V143-K204 HydrophobicContact CG2-CB 4.42Å; V143-F206 HydrophobicContact CB-CB 4.37Å; V143-F206 HydrophobicContact CG1-CB 3.77Å; V143-F206 HydrophobicContact CG1-CD2 4.2Å; V143-F206 HydrophobicContact CG1-CG 4.46Å; V143-F206 HydrophobicContact CG2-CB 3.63Å; V143-I222 HydrophobicContact CG1-CG2 4.36Å
144	V	92.6	Very high	92.1	Very high	56 Å²	56	56 Å²	56	34%	0.339	27%	0.274	S	S	.	.	S	Bend	trans	-139.3	152.2	-176.9	68.5	0	0	0	0	110.1	P142 F152 V153 Y202	P142-V144 VanDerWaalsContact C-N 3.25Å; P142-V144 HydrophobicContact CB-CG1 3.91Å; P142-V144 PolarHBondContact O-N 2.83Å; V144-F152 WeakPolarHBondContact O-CA 3.5Å; V144-V153 HydrophobicContact CG1-CG2 3.97Å; V144-V153 PolarHBondContact O-N 3.06Å; V144-Y202 HydrophobicContact CB-CD1 3.81Å; V144-Y202 HydrophobicContact CB-CE1 3.81Å; V144-Y202 HydrophobicContact CG1-CD1 4.4Å; V144-Y202 HydrophobicContact CG1-CE1 3.99Å; V144-Y202 HydrophobicContact CG2-CD1 4.34Å; V144-Y202 HydrophobicContact CG2-CE1 4.21Å
145	E	91.7	Very high	91.9	Very high	107 Å²	107	57.7 Å²	57.7	50%	0.5	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-75.1	134	173.7	-165.8	-169.3	148.6	0	0	110.3	K147 M151	E145-K147 PolarHBondContact O-N 2.85Å; E145-M151 WeakPolarHBondContact CA-O 3.33Å
146	H	90.8	Very high	91.7	Very high	69 Å²	69	56.1 Å²	56.1	32%	0.319	28%	0.277	S	S	.	.			trans	-83	116.4	-179.7	-172.5	-115.3	0	0	0	111.2	V148 E149 K150 M151 V153 L156	H146-V148 PolarHBondContact O-N 3.07Å; H146-E149 HydrophobicContact CB-CB 4.47Å; H146-E149 VanDerWaalsContact ND1-CG 3.3Å; H146-E149 WeakPolarHBondContact ND1-CG 3.42Å; H146-E149 PolarHBondContact O-N 2.9Å; H146-E149 VanDerWaalsContact O-N 3.09Å; H146-K150 PolarHBondContact O-N 3.35Å; H146-M151 PolarHBondContact N-O 3.33Å; H146-V153 HydrophobicContact CB-CG2 4.02Å; H146-L156 HydrophobicContact CB-CD2 3.98Å
147	K	90.5	Very high	91.5	Very high	199 Å²	199	58 Å²	58	87%	0.865	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-26.9	-170	-63.4	-174.3	180	-178.5	0	116.2	E145	E145-K147 PolarHBondContact O-N 2.85Å
148	V	89.8	Confident	91.5	Very high	106 Å²	106	58 Å²	58	64%	0.642	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-43	-179.6	-176.5	0	0	0	0	111.6	H146	H146-V148 PolarHBondContact O-N 3.07Å
149	E	90.3	Very high	91.5	Very high	101 Å²	101	58.3 Å²	58.3	47%	0.472	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-9.8	-169.4	-54.7	-60	145.4	0	0	113.5	H146 M151 L156	H146-E149 HydrophobicContact CB-CB 4.47Å; H146-E149 VanDerWaalsContact ND1-CG 3.3Å; H146-E149 WeakPolarHBondContact ND1-CG 3.42Å; H146-E149 PolarHBondContact O-N 2.9Å; H146-E149 VanDerWaalsContact O-N 3.09Å; E149-M151 VanDerWaalsContact C-N 3.27Å; E149-M151 HydrophobicContact CB-CG 4.08Å; E149-M151 PolarHBondContact O-N 3.31Å; E149-L156 HydrophobicContact CB-CD1 4Å; E149-L156 HydrophobicContact CB-CD2 4.21Å; E149-L156 HydrophobicContact CG-CD1 3.81Å; E149-L156 HydrophobicContact CG-CD2 3.92Å
150	K	90.5	Very high	91.5	Very high	166 Å²	166	56.7 Å²	56.7	72%	0.722	29%	0.287	S	S	*	.			trans	55.3	37.5	173.5	-55.2	-178.5	-177.7	178.5	0	114.7	H146	H146-K150 PolarHBondContact O-N 3.35Å
151	M	91.3	Very high	91.5	Very high	56 Å²	56	57.8 Å²	57.8	28%	0.276	29%	0.291	S	S	.	.	S	Bend	trans	-143.3	166.8	176.2	58.9	171.4	59.5	0	0	109.3	E145 H146 E149 E155 L156	E145-M151 WeakPolarHBondContact CA-O 3.33Å; H146-M151 PolarHBondContact N-O 3.33Å; E149-M151 VanDerWaalsContact C-N 3.27Å; E149-M151 HydrophobicContact CB-CG 4.08Å; E149-M151 PolarHBondContact O-N 3.31Å; M151-E155 HydrophobicContact CB-CG 4.37Å; M151-E155 WeakPolarHBondContact CB-OE2 3.35Å; M151-E155 HydrophobicContact SD-CG 4.31Å; M151-L156 HydrophobicContact CG-CB 4.06Å; M151-L156 HydrophobicContact CG-CD1 4.4Å; M151-L156 HydrophobicContact SD-CB 3.8Å; M151-L156 HydrophobicContact SD-CD1 3.76Å; M151-L156 HydrophobicContact SD-CG 4.39Å
152	F	93.5	Very high	91.3	Very high	45 Å²	45	60.8 Å²	60.8	20%	0.197	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-70.6	145.9	-178.7	-76.8	-82.6	0	0	0	111.8	V144 E155 L156 F206 P220 I222	V144-F152 WeakPolarHBondContact O-CA 3.5Å; F152-E155 HydrophobicContact CB-CB 4.21Å; F152-E155 PolarHBondContact N-OE2 2.98Å; F152-E155 VanDerWaalsContact O-CB 3.3Å; F152-E155 WeakPolarHBondContact O-CB 3.49Å; F152-E155 PolarHBondContact O-N 2.92Å; F152-E155 VanDerWaalsContact O-N 3.09Å; F152-L156 PolarHBondContact O-N 2.73Å; F152-F206 HydrophobicContact CB-CD2 4.3Å; F152-F206 HydrophobicContact CB-CE2 3.66Å; F152-F206 HydrophobicContact CB-CZ 4.49Å; F152-F206 HydrophobicContact CG-CE2 4.12Å; F152-P220 HydrophobicContact CD2-CG 4.31Å; F152-I222 HydrophobicContact CD1-CD1 3.9Å; F152-I222 HydrophobicContact CD2-CD1 3.8Å; F152-I222 HydrophobicContact CE1-CD1 3.56Å; F152-I222 HydrophobicContact CE2-CD1 3.44Å; F152-I222 VanDerWaalsContact CE2-CD1 3.44Å; F152-I222 HydrophobicContact CG-CD1 4.02Å; F152-I222 HydrophobicContact CZ-CD1 3.32Å
153	V	92.6	Very high	91	Very high	28 Å²	28	60.1 Å²	60.1	17%	0.17	30%	0.302	C	S	.	.	H	α-helix	trans	-58.4	-39.7	-178.9	168.1	0	0	0	0	113.4	I141 P142 V144 H146 L156 I157	I141-V153 HydrophobicContact CG2-CG1 4.03Å; P142-V153 WeakPolarHBondContact O-CB 3.2Å; V144-V153 HydrophobicContact CG1-CG2 3.97Å; V144-V153 PolarHBondContact O-N 3.06Å; H146-V153 HydrophobicContact CB-CG2 4.02Å; V153-L156 PolarHBondContact O-N 3Å; V153-I157 HydrophobicContact CG1-CG2 4.48Å; V153-I157 WeakPolarHBondContact O-CG1 3.36Å; V153-I157 WeakPolarHBondContact O-CG2 3.34Å; V153-I157 PolarHBondContact O-N 2.62Å
154	P	92.8	Very high	90.6	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-43.4	171.8	-21.7	32.6	0	0	0	112.8	I141 P142 I157 F158 T197 F206	I141-P154 HydrophobicContact CB-CG 4.33Å; I141-P154 HydrophobicContact CG2-CB 4.25Å; I141-P154 HydrophobicContact CG2-CG 3.75Å; P142-P154 WeakPolarHBondContact O-CD 3.46Å; P154-I157 PolarHBondContact O-N 2.91Å; P154-F158 WeakPolarHBondContact O-CB 3.46Å; P154-F158 WeakPolarHBondContact O-CD2 3.45Å; P154-F158 PolarHBondContact O-N 3.16Å; P154-F158 VanDerWaalsContact O-N 3.12Å; P154-T197 HydrophobicContact CG-CG2 4.22Å; P154-F206 HydrophobicContact CB-CD1 3.66Å; P154-F206 HydrophobicContact CB-CD2 4.46Å; P154-F206 HydrophobicContact CB-CE1 3.52Å; P154-F206 HydrophobicContact CB-CE2 4.31Å; P154-F206 HydrophobicContact CB-CG 4.15Å; P154-F206 HydrophobicContact CB-CZ 3.86Å; P154-F206 HydrophobicContact CG-CB 4.43Å; P154-F206 HydrophobicContact CG-CD1 3.93Å; P154-F206 HydrophobicContact CG-CD2 4.13Å; P154-F206 HydrophobicContact CG-CE1 4.19Å; P154-F206 HydrophobicContact CG-CE2 4.35Å; P154-F206 HydrophobicContact CG-CG 3.91Å; P154-F206 HydrophobicContact CG-CZ 4.37Å
155	E	93.6	Very high	90	Very high	38 Å²	38	62.6 Å²	62.6	18%	0.178	32%	0.322	C	S	.	.	H	α-helix	trans	-58.9	-48.2	177.1	178.9	169	-135.2	0	0	111.3	M151 F152 I157 F158 G159 F206 Q208 W210	M151-E155 HydrophobicContact CB-CG 4.37Å; M151-E155 WeakPolarHBondContact CB-OE2 3.35Å; M151-E155 HydrophobicContact SD-CG 4.31Å; F152-E155 HydrophobicContact CB-CB 4.21Å; F152-E155 PolarHBondContact N-OE2 2.98Å; F152-E155 VanDerWaalsContact O-CB 3.3Å; F152-E155 WeakPolarHBondContact O-CB 3.49Å; F152-E155 PolarHBondContact O-N 2.92Å; F152-E155 VanDerWaalsContact O-N 3.09Å; E155-I157 PolarHBondContact O-N 3.03Å; E155-F158 PolarHBondContact O-N 3.14Å; E155-G159 WeakPolarHBondContact O-CA 3.26Å; E155-G159 PolarHBondContact O-N 2.87Å; E155-F206 HydrophobicContact CB-CZ 4.19Å; E155-Q208 VanDerWaalsContact CB-OE1 3.3Å; E155-Q208 PolarHBondContact OE1-NE2 2.9Å; E155-W210 HydrophobicContact CG-CZ2 4.37Å
156	L	92.2	Very high	89.4	Confident	16 Å²	16	57.8 Å²	57.8	8%	0.084	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-43.7	175.7	-179.4	63	0	0	0	113.3	H146 E149 M151 F152 V153 T160 T163	H146-L156 HydrophobicContact CB-CD2 3.98Å; E149-L156 HydrophobicContact CB-CD1 4Å; E149-L156 HydrophobicContact CB-CD2 4.21Å; E149-L156 HydrophobicContact CG-CD1 3.81Å; E149-L156 HydrophobicContact CG-CD2 3.92Å; M151-L156 HydrophobicContact CG-CB 4.06Å; M151-L156 HydrophobicContact CG-CD1 4.4Å; M151-L156 HydrophobicContact SD-CB 3.8Å; M151-L156 HydrophobicContact SD-CD1 3.76Å; M151-L156 HydrophobicContact SD-CG 4.39Å; F152-L156 PolarHBondContact O-N 2.73Å; V153-L156 PolarHBondContact O-N 3Å; L156-T160 HydrophobicContact CD1-CG2 4.43Å; L156-T160 VanDerWaalsContact O-CB 3.32Å; L156-T160 WeakPolarHBondContact O-CB 3.41Å; L156-T160 PolarHBondContact O-N 2.75Å; L156-T163 HydrophobicContact CD1-CG2 3.79Å; L156-T163 HydrophobicContact CG-CG2 4.02Å; L156-T163 PolarHBondContact O-OG1 2.65Å
157	I	91.8	Very high	88.8	Confident	51 Å²	51	59.7 Å²	59.7	26%	0.262	31%	0.305	S	S	.	.	H	α-helix	trans	-83.2	-12.3	-174.5	72.4	-178.9	0	0	0	114.5	I141 V153 P154 E155 T163 K184	I141-I157 HydrophobicContact CD1-CD1 4.09Å; I141-I157 HydrophobicContact CG1-CD1 4.23Å; I141-I157 HydrophobicContact CG2-CD1 3.72Å; V153-I157 HydrophobicContact CG1-CG2 4.48Å; V153-I157 WeakPolarHBondContact O-CG1 3.36Å; V153-I157 WeakPolarHBondContact O-CG2 3.34Å; V153-I157 PolarHBondContact O-N 2.62Å; P154-I157 PolarHBondContact O-N 2.91Å; E155-I157 PolarHBondContact O-N 3.03Å; I157-T163 WeakPolarHBondContact CA-OG1 3.37Å; I157-K184 WeakPolarHBondContact O-CD 3.35Å; I157-K184 WeakPolarHBondContact O-CE 3.13Å; I157-K184 PolarHBondContact O-NZ 2.93Å
158	F	92.8	Very high	88.4	Confident	16 Å²	16	54 Å²	54	7%	0.07	28%	0.284	C	S	.	.	H	α-helix	trans	-115.5	-26.5	178.4	-76.2	-72.4	0	0	0	115.2	I141 P154 E155 A183 K184 N187 F193 V195 W210 V233	I141-F158 HydrophobicContact CD1-CE2 3.59Å; I141-F158 HydrophobicContact CD1-CZ 4.31Å; P154-F158 WeakPolarHBondContact O-CB 3.46Å; P154-F158 WeakPolarHBondContact O-CD2 3.45Å; P154-F158 PolarHBondContact O-N 3.16Å; P154-F158 VanDerWaalsContact O-N 3.12Å; E155-F158 PolarHBondContact O-N 3.14Å; F158-A183 HydrophobicContact CD1-CB 3.71Å; F158-A183 HydrophobicContact CE1-CB 3.7Å; F158-K184 WeakPolarHBondContact O-CG 3.38Å; F158-N187 PolarHBondContact O-ND2 3.44Å; F158-F193 HydrophobicContact CB-CE1 4.17Å; F158-F193 AromaticContact CD1-CE1 3.53Å; F158-F193 HydrophobicContact CD1-CE1 3.53Å; F158-F193 AromaticContact CD1-CZ 3.6Å; F158-F193 HydrophobicContact CD1-CZ 3.6Å; F158-F193 HydrophobicContact CE1-CE1 4.17Å; F158-F193 AromaticContact CE1-CZ 3.89Å; F158-F193 HydrophobicContact CE1-CZ 3.89Å; F158-F193 HydrophobicContact CG-CE1 4.1Å; F158-V195 HydrophobicContact CB-CG2 4.18Å; F158-V195 HydrophobicContact CD1-CG2 3.91Å; F158-V195 HydrophobicContact CD2-CB 4.29Å; F158-V195 HydrophobicContact CD2-CG1 3.85Å; F158-V195 HydrophobicContact CD2-CG2 3.63Å; F158-V195 HydrophobicContact CE1-CG2 4.12Å; F158-V195 HydrophobicContact CE2-CB 4.36Å; F158-V195 HydrophobicContact CE2-CG1 3.57Å; F158-V195 HydrophobicContact CE2-CG2 3.84Å; F158-V195 HydrophobicContact CG-CG2 3.67Å; F158-V195 HydrophobicContact CZ-CG1 4.25Å; F158-V195 HydrophobicContact CZ-CG2 4.08Å; F158-W210 HydrophobicContact CB-CH2 3.8Å; F158-W210 HydrophobicContact CB-CZ2 4.37Å; F158-W210 HydrophobicContact CB-CZ3 4Å; F158-V233 HydrophobicContact CE1-CG2 3.93Å; F158-V233 HydrophobicContact CZ-CG2 3.74Å
159	G	91.2	Very high	87.8	Confident	18 Å²	18	53 Å²	53	19%	0.186	28%	0.275	C	S	.	.	H	α-helix	trans	-98.5	-22.9	177.8	0	0	0	0	0	114.8	E155 M214	E155-G159 WeakPolarHBondContact O-CA 3.26Å; E155-G159 PolarHBondContact O-N 2.87Å; G159-M214 VanDerWaalsContact O-CE 3.26Å; G159-M214 WeakPolarHBondContact O-CE 3.38Å; G159-M214 VanDerWaalsContact O-SD 3.38Å
160	T	89.8	Confident	87.3	Confident	51 Å²	51	52.8 Å²	52.8	31%	0.313	29%	0.285	S	S	.	.	S	Bend	trans	-107.9	127.9	-176.9	-41.6	0	0	0	0	111.9	L156 T163 K184	L156-T160 HydrophobicContact CD1-CG2 4.43Å; L156-T160 VanDerWaalsContact O-CB 3.32Å; L156-T160 WeakPolarHBondContact O-CB 3.41Å; L156-T160 PolarHBondContact O-N 2.75Å; T160-T163 HydrophobicContact CG2-CG2 4.22Å; T160-T163 PolarHBondContact O-OG1 2.94Å; T160-K184 WeakPolarHBondContact O-CD 3.25Å; T160-K184 WeakPolarHBondContact O-CE 3.44Å; T160-K184 WeakPolarHBondContact O-CG 3.31Å; T160-K184 PolarHBondContact O-NZ 2.85Å
161	L	89.7	Confident	86.8	Confident	28 Å²	28	50.2 Å²	50.2	15%	0.147	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	159.3	172.5	-76.7	167.1	0	0	0	111.4	Q54 I58 T163 Y181 K184 I188 M214	Q54-L161 HydrophobicContact CB-CD1 4.38Å; Q54-L161 HydrophobicContact CG-CD1 4.07Å; I58-L161 HydrophobicContact CD1-CD1 3.68Å; I58-L161 HydrophobicContact CD1-CD2 3.86Å; I58-L161 HydrophobicContact CD1-CG 4.46Å; L161-T163 VanDerWaalsContact C-N 3.33Å; L161-T163 PolarHBondContact O-N 3.09Å; L161-Y181 HydrophobicContact CD2-CD1 3.91Å; L161-Y181 HydrophobicContact CD2-CE1 4.19Å; L161-K184 HydrophobicContact CD2-CB 3.79Å; L161-K184 HydrophobicContact CD2-CG 4.37Å; L161-K184 HydrophobicContact CG-CB 4.48Å; L161-I188 HydrophobicContact CD1-CD1 4.28Å; L161-I188 HydrophobicContact CD2-CD1 3.97Å; L161-I188 HydrophobicContact CG-CD1 4.34Å; L161-M214 HydrophobicContact CG-CE 4.31Å
162	L	86.8	Confident	86.3	Confident	85 Å²	85	55.9 Å²	55.9	45%	0.445	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	36.5	178	-60.4	171.6	0	0	0	114.7	Y167 Y181	L162-Y167 VanDerWaalsContact CA-OH 3.32Å; L162-Y167 WeakPolarHBondContact CA-OH 3.34Å; L162-Y167 WeakPolarHBondContact O-CE2 3.42Å; L162-Y167 PolarHBondContact O-OH 2.67Å; L162-Y181 HydrophobicContact CD2-CE1 4.32Å; L162-Y181 HydrophobicContact CD2-CE2 3.82Å
163	T	84.7	Confident	85.9	Confident	25 Å²	25	55.2 Å²	55.2	15%	0.153	29%	0.291	C	S	.	.			trans	-115.8	129.2	174.7	57.5	0	0	0	0	111.8	L156 I157 T160 L161 G180 K184	L156-T163 HydrophobicContact CD1-CG2 3.79Å; L156-T163 HydrophobicContact CG-CG2 4.02Å; L156-T163 PolarHBondContact O-OG1 2.65Å; I157-T163 WeakPolarHBondContact CA-OG1 3.37Å; T160-T163 HydrophobicContact CG2-CG2 4.22Å; T160-T163 PolarHBondContact O-OG1 2.94Å; L161-T163 VanDerWaalsContact C-N 3.33Å; L161-T163 PolarHBondContact O-N 3.09Å; T163-G180 WeakPolarHBondContact O-CA 3.29Å; T163-K184 PolarHBondContact O-NZ 2.77Å; T163-K184 PolarHBondContact OG1-NZ 2.96Å
164	S	82.7	Confident	85.6	Confident	41 Å²	41	55 Å²	55	29%	0.287	29%	0.289	S	S	.	.			trans	-159.5	154	-179.7	-159.7	0	0	0	0	113.2	N166	S164-N166 VanDerWaalsContact C-N 3.31Å; S164-N166 PolarHBondContact OG-N 3.47Å
165	S	81.3	Confident	85.1	Confident	69 Å²	69	55.4 Å²	55.4	48%	0.483	29%	0.292	S	S	.	.	S	Bend	trans	-81.2	-8.2	164.3	56.6	0	0	0	0	113.7	R114 K173	R114-S165 PolarHBondContact NH2-OG 3.43Å; S165-K173 PolarHBondContact O-NZ 2.99Å; S165-K173 VanDerWaalsContact O-NZ 3.14Å
166	N	78	Confident	84.4	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.027	28%	0.283	C	S	.	.			trans	-109.3	20.5	-165.1	-59.1	1.1	0	0	0	112.7	S164 K173 T175 G177	S164-N166 VanDerWaalsContact C-N 3.31Å; S164-N166 PolarHBondContact OG-N 3.47Å; N166-K173 HydrophobicContact CB-CD 4.39Å; N166-T175 PolarHBondContact ND2-OG1 2.88Å; N166-G177 WeakPolarHBondContact CB-O 3.25Å; N166-G177 PolarHBondContact ND2-O 3.25Å
167	Y	79.1	Confident	83.6	Confident	110 Å²	110	53.4 Å²	53.4	43%	0.431	29%	0.286	S	S	.	.			trans	-83.8	-23.4	175	-67.4	-37.9	0	0	0	114.2	L162 D169 N179	L162-Y167 VanDerWaalsContact CA-OH 3.32Å; L162-Y167 WeakPolarHBondContact CA-OH 3.34Å; L162-Y167 WeakPolarHBondContact O-CE2 3.42Å; L162-Y167 PolarHBondContact O-OH 2.67Å; Y167-D169 PolarHBondContact O-N 3.32Å; Y167-N179 PolarHBondContact OH-O 2.88Å
168	D	81.7	Confident	82.9	Confident	79 Å²	79	52.4 Å²	52.4	42%	0.422	28%	0.278	S	S	.	.			trans	-77.3	102.7	166	-171.5	-9.9	0	0	0	109.3	S170 K173	D168-S170 WeakPolarHBondContact OD1-CA 3.32Å; D168-S170 VanDerWaalsContact OD1-CB 3.22Å; D168-S170 WeakPolarHBondContact OD1-CB 3.41Å; D168-S170 PolarHBondContact OD1-N 3.06Å; D168-S170 PolarHBondContact OD1-OG 2.92Å; D168-S170 PolarHBondContact OD2-OG 3.38Å; D168-K173 PolarHBondContact O-NZ 3.46Å
169	D	77.8	Confident	82.2	Confident	84 Å²	84	55.5 Å²	55.5	45%	0.449	30%	0.296	S	S	.	.			trans	-85.3	-4.5	176	-96.7	1.3	0	0	0	113.6	Y167 E171 R178 N387	Y167-D169 PolarHBondContact O-N 3.32Å; D169-E171 VanDerWaalsContact C-N 3.34Å; D169-R178 VanDerWaalsContact CG-NH2 3.29Å; D169-R178 IonicContact OD1-CZ 2.86Å; D169-R178 IonicContact OD1-NH1 2.83Å; D169-R178 PolarHBondContact OD1-NH1 3Å; D169-R178 IonicContact OD1-NH2 3.91Å; D169-R178 PolarHBondContact OD1-NH2 3.22Å; D169-R178 IonicContact OD2-CZ 2.88Å; D169-R178 IonicContact OD2-NH2 2.73Å; D169-R178 PolarHBondContact OD2-NH2 3.35Å; D169-N387 PolarHBondContact O-ND2 3.46Å; D169-N387 PolarHBondContact OD1-ND2 3.28Å
170	S	79.3	Confident	81.7	Confident	97 Å²	97	55.1 Å²	55.1	68%	0.678	29%	0.292	S	S	*	.	S	Bend	trans	-71.7	-34.4	169.6	78.4	0	0	0	0	110.9	D168 R172	D168-S170 WeakPolarHBondContact OD1-CA 3.32Å; D168-S170 VanDerWaalsContact OD1-CB 3.22Å; D168-S170 WeakPolarHBondContact OD1-CB 3.41Å; D168-S170 PolarHBondContact OD1-N 3.06Å; D168-S170 PolarHBondContact OD1-OG 2.92Å; D168-S170 PolarHBondContact OD2-OG 3.38Å; S170-R172 PolarHBondContact O-N 2.85Å
171	E	79.4	Confident	81.4	Confident	113 Å²	113	54.8 Å²	54.8	53%	0.528	29%	0.286	S	S	.	.	S	Bend	trans	-72.2	119.3	163.8	-66.3	-169.1	129.5	0	0	110.3	D169 K173 N387	D169-E171 VanDerWaalsContact C-N 3.34Å; E171-K173 HydrophobicContact CB-CD 4.26Å; E171-K173 HydrophobicContact CB-CG 4.39Å; E171-K173 PolarHBondContact O-N 2.91Å; E171-K173 VanDerWaalsContact O-N 3.1Å; E171-K173 WeakPolarHBondContact OE2-CE 3.35Å; E171-K173 IonicContact OE2-NZ 2.72Å; E171-K173 PolarHBondContact OE2-NZ 3.26Å; E171-N387 PolarHBondContact O-ND2 2.92Å; E171-N387 VanDerWaalsContact O-ND2 3.17Å
172	R	81.7	Confident	81.1	Confident	175 Å²	175	53.8 Å²	53.8	66%	0.66	28%	0.282	S	S	*	.			trans	-84	89.1	-177.8	-58.3	-156.2	-169.2	179.3	2.2	111.6	S170 E386	S170-R172 PolarHBondContact O-N 2.85Å; R172-E386 HydrophobicContact CB-CB 4.28Å; R172-E386 HydrophobicContact CB-CG 4Å; R172-E386 WeakPolarHBondContact CD-OE2 3.35Å; R172-E386 IonicContact CZ-OE2 2.8Å; R172-E386 IonicContact NE-OE2 2.78Å; R172-E386 IonicContact NH1-OE2 2.67Å; R172-E386 PolarHBondContact NH1-OE2 3.4Å
173	K	84	Confident	81.2	Confident	31 Å²	31	50.2 Å²	50.2	14%	0.135	27%	0.265	C	S	.	.			trans	-89.1	139.7	-173.8	-69.5	151.3	178.4	156	0	111	S165 N166 D168 E171 N387	S165-K173 PolarHBondContact O-NZ 2.99Å; S165-K173 VanDerWaalsContact O-NZ 3.14Å; N166-K173 HydrophobicContact CB-CD 4.39Å; D168-K173 PolarHBondContact O-NZ 3.46Å; E171-K173 HydrophobicContact CB-CD 4.26Å; E171-K173 HydrophobicContact CB-CG 4.39Å; E171-K173 PolarHBondContact O-N 2.91Å; E171-K173 VanDerWaalsContact O-N 3.1Å; E171-K173 WeakPolarHBondContact OE2-CE 3.35Å; E171-K173 IonicContact OE2-NZ 2.72Å; E171-K173 PolarHBondContact OE2-NZ 3.26Å; K173-N387 PolarHBondContact N-OD1 3.28Å; K173-N387 PolarHBondContact O-N 3.1Å; K173-N387 PolarHBondContact O-OD1 3.46Å
174	V	86.8	Confident	81.6	Confident	23 Å²	23	49.2 Å²	49.2	14%	0.139	26%	0.258	C	S	.	.			trans	-103.8	40.5	174	-66.1	0	0	0	0	111.3	Q113 N331 L384 E386	Q113-V174 HydrophobicContact CB-CG2 4.49Å; Q113-V174 HydrophobicContact CG-CG2 4.33Å; V174-N331 VanDerWaalsContact C-CG 3.4Å; V174-N331 WeakPolarHBondContact O-CB 3.49Å; V174-N331 VanDerWaalsContact O-CG 3.23Å; V174-N331 PolarHBondContact O-ND2 3.47Å; V174-L384 HydrophobicContact CB-CB 4.24Å; V174-L384 HydrophobicContact CG1-CB 4.26Å; V174-E386 HydrophobicContact CG1-CG 4.24Å
175	T	83.6	Confident	82	Confident	8 Å²	8	47.4 Å²	47.4	5%	0.049	25%	0.245	C	C	.	.			trans	-102.7	156.4	-178	46.5	0	0	0	0	112.4	D110 Q113 N166 N331	D110-T175 HydrophobicContact CB-CG2 4.26Å; D110-T175 WeakPolarHBondContact OD1-CA 3.5Å; D110-T175 WeakPolarHBondContact OD1-CB 3.45Å; D110-T175 WeakPolarHBondContact OD2-CB 3.42Å; Q113-T175 HydrophobicContact CB-CG2 4.48Å; N166-T175 PolarHBondContact ND2-OG1 2.88Å; T175-N331 PolarHBondContact N-ND2 3.21Å; T175-N331 PolarHBondContact O-ND2 3.49Å
176	G	77.4	Confident	82.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-87.1	-19.1	174.1	0	0	0	0	0	114.2	D110 I333 K395	D110-G176 PolarHBondContact OD1-N 2.85Å; D110-G176 PolarHBondContact OD2-N 3.41Å; G176-I333 VanDerWaalsContact CA-CD1 3.47Å; G176-K395 PolarHBondContact O-NZ 3.33Å
177	G	76.7	Confident	83.5	Confident	13 Å²	13	43.9 Å²	43.9	13%	0.134	22%	0.221	C	C	.	.			trans	-69.7	126.1	165.2	0	0	0	0	0	111.7	D110 N166	D110-G177 PolarHBondContact OD2-N 3.23Å; N166-G177 WeakPolarHBondContact CB-O 3.25Å; N166-G177 PolarHBondContact ND2-O 3.25Å
178	R	76.2	Confident	84.2	Confident	29 Å²	29	38.7 Å²	38.7	11%	0.109	20%	0.201	C	C	.	.			trans	-128.9	-63.1	172.4	-59.2	-69.3	-70.7	127.7	3.6	111.2	D169 G180 P388	D169-R178 VanDerWaalsContact CG-NH2 3.29Å; D169-R178 IonicContact OD1-CZ 2.86Å; D169-R178 IonicContact OD1-NH1 2.83Å; D169-R178 PolarHBondContact OD1-NH1 3Å; D169-R178 IonicContact OD1-NH2 3.91Å; D169-R178 PolarHBondContact OD1-NH2 3.22Å; D169-R178 IonicContact OD2-CZ 2.88Å; D169-R178 IonicContact OD2-NH2 2.73Å; D169-R178 PolarHBondContact OD2-NH2 3.35Å; R178-G180 PolarHBondContact O-N 3.19Å; R178-P388 PolarHBondContact NE-O 3Å
179	N	77.8	Confident	84.9	Confident	81 Å²	81	35 Å²	35	43%	0.433	18%	0.181	S	C	.	.	S	Bend	trans	-86.7	-2.1	-162.4	-55.3	-18.1	0	0	0	115.7	Y167 Y181 Q393	Y167-N179 PolarHBondContact OH-O 2.88Å; N179-Y181 VanDerWaalsContact C-N 3.34Å; N179-Y181 HydrophobicContact CB-CD2 3.89Å; N179-Y181 HydrophobicContact CB-CE2 4.45Å; N179-Y181 WeakPolarHBondContact O-CD2 3.4Å; N179-Y181 PolarHBondContact O-N 2.99Å; N179-Q393 PolarHBondContact ND2-OE1 3.44Å
180	G	80.2	Confident	85.7	Confident	11 Å²	11	31 Å²	31	11%	0.113	16%	0.16	C	C	.	.	S	Bend	trans	76.1	7.1	178.5	0	0	0	0	0	117.2	T163 R178 K184	T163-G180 WeakPolarHBondContact O-CA 3.29Å; R178-G180 PolarHBondContact O-N 3.19Å; G180-K184 WeakPolarHBondContact O-CE 3.46Å; G180-K184 PolarHBondContact O-NZ 3.08Å
181	Y	83.7	Confident	86.5	Confident	44 Å²	44	31.6 Å²	31.6	17%	0.173	15%	0.15	C	C	.	.			trans	-87.7	-49.5	-178	-77.4	-82.4	0	0	0	115.3	Q54 Y65 L161 L162 N179 A183 K184 L185	Q54-Y181 PolarHBondContact NE2-OH 2.92Å; Q54-Y181 VanDerWaalsContact NE2-OH 3.08Å; Y65-Y181 HydrophobicContact CD1-CD1 4.41Å; Y65-Y181 HydrophobicContact CD1-CE1 4.25Å; Y65-Y181 HydrophobicContact CE1-CE1 4.04Å; L161-Y181 HydrophobicContact CD2-CD1 3.91Å; L161-Y181 HydrophobicContact CD2-CE1 4.19Å; L162-Y181 HydrophobicContact CD2-CE1 4.32Å; L162-Y181 HydrophobicContact CD2-CE2 3.82Å; N179-Y181 VanDerWaalsContact C-N 3.34Å; N179-Y181 HydrophobicContact CB-CD2 3.89Å; N179-Y181 HydrophobicContact CB-CE2 4.45Å; N179-Y181 WeakPolarHBondContact O-CD2 3.4Å; N179-Y181 PolarHBondContact O-N 2.99Å; Y181-A183 PolarHBondContact O-N 3.05Å; Y181-A183 VanDerWaalsContact O-N 3.08Å; Y181-K184 WeakPolarHBondContact O-CA 3.37Å; Y181-K184 WeakPolarHBondContact O-CB 3.42Å; Y181-K184 PolarHBondContact O-N 2.98Å; Y181-L185 HydrophobicContact CD1-CD2 4.41Å; Y181-L185 PolarHBondContact O-N 3.32Å
182	G	84.1	Confident	87.3	Confident	7 Å²	7	30.9 Å²	30.9	7%	0.072	14%	0.143	C	C	.	.	H	α-helix	trans	-45.2	-51.3	-154.8	0	0	0	0	0	117.2	E103 K184 L185 C186	E103-G182 WeakPolarHBondContact OE2-CA 3.28Å; G182-K184 VanDerWaalsContact C-N 3.32Å; G182-K184 PolarHBondContact O-N 2.97Å; G182-L185 WeakPolarHBondContact O-CB 3.43Å; G182-L185 PolarHBondContact O-N 2.93Å; G182-L185 VanDerWaalsContact O-N 3.13Å; G182-C186 PolarHBondContact O-N 3.44Å; G182-C186 VanDerWaalsContact O-N 3.13Å
183	A	89.9	Confident	88	Confident	10 Å²	10	22.6 Å²	22.6	8%	0.083	11%	0.111	C	C	.	.	H	α-helix	trans	-61.9	-36	-180	0	0	0	0	0	113.7	I104 F158 Y181 C186 N187	I104-A183 HydrophobicContact CD1-CB 4.24Å; F158-A183 HydrophobicContact CD1-CB 3.71Å; F158-A183 HydrophobicContact CE1-CB 3.7Å; Y181-A183 PolarHBondContact O-N 3.05Å; Y181-A183 VanDerWaalsContact O-N 3.08Å; A183-C186 PolarHBondContact O-N 2.73Å; A183-N187 PolarHBondContact O-N 2.84Å
184	K	92.3	Very high	88.6	Confident	4 Å²	4	21.5 Å²	21.5	2%	0.017	11%	0.107	C	C	.	.	H	α-helix	trans	-73.1	-33.2	175	-82.2	70.2	60.9	161.9	0	111.9	I157 F158 T160 L161 T163 G180 Y181 G182 C186 N187 I188 M214	I157-K184 WeakPolarHBondContact O-CD 3.35Å; I157-K184 WeakPolarHBondContact O-CE 3.13Å; I157-K184 PolarHBondContact O-NZ 2.93Å; F158-K184 WeakPolarHBondContact O-CG 3.38Å; T160-K184 WeakPolarHBondContact O-CD 3.25Å; T160-K184 WeakPolarHBondContact O-CE 3.44Å; T160-K184 WeakPolarHBondContact O-CG 3.31Å; T160-K184 PolarHBondContact O-NZ 2.85Å; L161-K184 HydrophobicContact CD2-CB 3.79Å; L161-K184 HydrophobicContact CD2-CG 4.37Å; L161-K184 HydrophobicContact CG-CB 4.48Å; T163-K184 PolarHBondContact O-NZ 2.77Å; T163-K184 PolarHBondContact OG1-NZ 2.96Å; G180-K184 WeakPolarHBondContact O-CE 3.46Å; G180-K184 PolarHBondContact O-NZ 3.08Å; Y181-K184 WeakPolarHBondContact O-CA 3.37Å; Y181-K184 WeakPolarHBondContact O-CB 3.42Å; Y181-K184 PolarHBondContact O-N 2.98Å; G182-K184 VanDerWaalsContact C-N 3.32Å; G182-K184 PolarHBondContact O-N 2.97Å; K184-C186 VanDerWaalsContact C-N 3.3Å; K184-C186 PolarHBondContact O-N 2.66Å; K184-N187 WeakPolarHBondContact O-CB 3.49Å; K184-N187 PolarHBondContact O-N 2.9Å; K184-I188 WeakPolarHBondContact O-CB 3.38Å; K184-I188 VanDerWaalsContact O-CG1 3.24Å; K184-I188 WeakPolarHBondContact O-CG1 3.49Å; K184-I188 PolarHBondContact O-N 3.25Å; K184-M214 HydrophobicContact CB-CE 4.5Å; K184-M214 HydrophobicContact CB-SD 4.08Å; K184-M214 HydrophobicContact CG-CE 4.31Å; K184-M214 HydrophobicContact CG-SD 3.83Å
185	L	92.1	Very high	89.1	Confident	2 Å²	2	20.4 Å²	20.4	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-63.6	-40	174.9	-62.3	176	0	0	0	110.6	I58 Y65 I66 Y181 G182 N187 I188 F189	I58-L185 HydrophobicContact CD1-CD2 4.18Å; I58-L185 HydrophobicContact CG1-CD2 4.45Å; I58-L185 HydrophobicContact CG2-CD2 3.84Å; Y65-L185 HydrophobicContact CD1-CD2 4.4Å; Y65-L185 HydrophobicContact CG-CD2 4.34Å; Y65-L185 WeakPolarHBondContact O-CD1 3.4Å; I66-L185 HydrophobicContact CG2-CB 3.83Å; I66-L185 HydrophobicContact CG2-CD1 3.85Å; I66-L185 HydrophobicContact CG2-CG 4.29Å; Y181-L185 HydrophobicContact CD1-CD2 4.41Å; Y181-L185 PolarHBondContact O-N 3.32Å; G182-L185 WeakPolarHBondContact O-CB 3.43Å; G182-L185 PolarHBondContact O-N 2.93Å; G182-L185 VanDerWaalsContact O-N 3.13Å; L185-N187 PolarHBondContact O-N 3.46Å; L185-I188 PolarHBondContact O-N 3.5Å; L185-F189 WeakPolarHBondContact O-CD2 3.49Å; L185-F189 PolarHBondContact O-N 3.34Å
186	C	94.4	Very high	89.6	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.6	-41.8	172.1	-170.9	0	0	0	0	112.6	I100 I104 G182 A183 K184 F189 S190 F193 F235	I100-C186 HydrophobicContact CB-CB 4.04Å; I104-C186 HydrophobicContact CD1-CB 3.87Å; I104-C186 HydrophobicContact CG1-CB 3.87Å; G182-C186 PolarHBondContact O-N 3.44Å; G182-C186 VanDerWaalsContact O-N 3.13Å; A183-C186 PolarHBondContact O-N 2.73Å; K184-C186 VanDerWaalsContact C-N 3.3Å; K184-C186 PolarHBondContact O-N 2.66Å; C186-F189 CarbonylContact O-C 3.5Å; C186-F189 PolarHBondContact O-N 2.64Å; C186-S190 WeakPolarHBondContact O-CB 3.31Å; C186-S190 PolarHBondContact O-N 3.25Å; C186-S190 PolarHBondContact O-OG 2.85Å; C186-F193 HydrophobicContact CB-CE2 3.93Å; C186-F235 WeakPolarHBondContact SG-CD2 3.39Å
187	N	95.3	Very high	90.4	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-63.7	-48.6	175.8	-166.2	-11.4	0	0	0	112.3	F158 A183 K184 L185 F189 S190 F193 W210 M214	F158-N187 PolarHBondContact O-ND2 3.44Å; A183-N187 PolarHBondContact O-N 2.84Å; K184-N187 WeakPolarHBondContact O-CB 3.49Å; K184-N187 PolarHBondContact O-N 2.9Å; L185-N187 PolarHBondContact O-N 3.46Å; N187-F189 VanDerWaalsContact C-N 3.31Å; N187-F189 PolarHBondContact O-N 3.31Å; N187-S190 PolarHBondContact O-N 2.89Å; N187-F193 HydrophobicContact CB-CB 4.3Å; N187-F193 HydrophobicContact CB-CD1 3.85Å; N187-F193 HydrophobicContact CB-CD2 4.03Å; N187-F193 HydrophobicContact CB-CE1 4.15Å; N187-F193 HydrophobicContact CB-CE2 4.33Å; N187-F193 HydrophobicContact CB-CG 3.8Å; N187-F193 HydrophobicContact CB-CZ 4.39Å; N187-F193 WeakPolarHBondContact OD1-CB 3.31Å; N187-W210 VanDerWaalsContact ND2-CG 3.27Å; N187-W210 WeakPolarHBondContact OD1-CB 3.23Å; N187-M214 HydrophobicContact CB-CB 4.34Å; N187-M214 HydrophobicContact CB-CG 4.23Å; N187-M214 HydrophobicContact CB-SD 3.91Å; N187-M214 WeakPolarHBondContact ND2-CG 3.28Å
188	I	94.8	Very high	91.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.1	-38.8	177.4	-69.8	165.5	0	0	0	111.8	L55 I58 L59 L161 K184 L185 S190 N213 M214	L55-I188 HydrophobicContact CG-CD1 4.49Å; I58-I188 HydrophobicContact CD1-CD1 4Å; I58-I188 HydrophobicContact CG2-CD1 4.29Å; I58-I188 HydrophobicContact CG2-CG2 3.93Å; L59-I188 HydrophobicContact CD2-CG2 3.48Å; L59-I188 VanDerWaalsContact CD2-CG2 3.48Å; L59-I188 HydrophobicContact CG-CG2 3.88Å; L161-I188 HydrophobicContact CD1-CD1 4.28Å; L161-I188 HydrophobicContact CD2-CD1 3.97Å; L161-I188 HydrophobicContact CG-CD1 4.34Å; K184-I188 WeakPolarHBondContact O-CB 3.38Å; K184-I188 VanDerWaalsContact O-CG1 3.24Å; K184-I188 WeakPolarHBondContact O-CG1 3.49Å; K184-I188 PolarHBondContact O-N 3.25Å; L185-I188 PolarHBondContact O-N 3.5Å; I188-S190 VanDerWaalsContact C-N 3.31Å; I188-S190 PolarHBondContact O-N 2.83Å; I188-N213 WeakPolarHBondContact O-CA 3.33Å; I188-N213 WeakPolarHBondContact O-CB 3.41Å; I188-N213 PolarHBondContact O-ND2 2.98Å; I188-N213 VanDerWaalsContact O-ND2 3.1Å; I188-M214 HydrophobicContact CD1-CE 3.79Å; I188-M214 HydrophobicContact CD1-SD 4.47Å; I188-M214 HydrophobicContact CG1-CB 3.9Å; I188-M214 HydrophobicContact CG1-CE 3.68Å; I188-M214 HydrophobicContact CG1-SD 3.95Å
189	F	95	Very high	91.8	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	22.8	177	-72.5	-85.1	0	0	0	114	I58 L59 P62 I66 I100 L185 C186 N187 D238 K241 F242	I58-F189 HydrophobicContact CG2-CE2 3.59Å; I58-F189 HydrophobicContact CG2-CZ 4.18Å; L59-F189 HydrophobicContact CD2-CD1 4.47Å; L59-F189 HydrophobicContact CD2-CE1 3.98Å; L59-F189 HydrophobicContact CD2-CE2 4.45Å; L59-F189 HydrophobicContact CD2-CZ 3.95Å; P62-F189 HydrophobicContact CB-CE1 4.18Å; P62-F189 HydrophobicContact CB-CZ 3.73Å; I66-F189 HydrophobicContact CD1-CD1 4.04Å; I66-F189 HydrophobicContact CD1-CD2 3.73Å; I66-F189 HydrophobicContact CD1-CE1 4.03Å; I66-F189 HydrophobicContact CD1-CE2 3.7Å; I66-F189 HydrophobicContact CD1-CG 3.92Å; I66-F189 HydrophobicContact CD1-CZ 3.88Å; I66-F189 HydrophobicContact CG1-CE2 4.4Å; I100-F189 HydrophobicContact CD1-CB 4.07Å; I100-F189 HydrophobicContact CG2-CB 4.26Å; L185-F189 WeakPolarHBondContact O-CD2 3.49Å; L185-F189 PolarHBondContact O-N 3.34Å; C186-F189 CarbonylContact O-C 3.5Å; C186-F189 PolarHBondContact O-N 2.64Å; N187-F189 VanDerWaalsContact C-N 3.31Å; N187-F189 PolarHBondContact O-N 3.31Å; F189-D238 PolarHBondContact O-N 3.47Å; F189-K241 HydrophobicContact CD1-CB 4.32Å; F189-K241 HydrophobicContact CD1-CD 4.16Å; F189-K241 HydrophobicContact CE1-CB 4.47Å; F189-K241 HydrophobicContact CE1-CD 4.16Å; F189-F242 HydrophobicContact CB-CE2 4.04Å; F189-F242 HydrophobicContact CB-CZ 3.7Å; F189-F242 HydrophobicContact CD1-CE1 4.23Å; F189-F242 HydrophobicContact CD1-CE2 4.4Å; F189-F242 AromaticContact CD1-CZ 3.84Å; F189-F242 HydrophobicContact CD1-CZ 3.84Å; F189-F242 AromaticContact CG-CZ 3.98Å; F189-F242 HydrophobicContact CG-CZ 3.98Å
190	S	95.7	Very high	92.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	148.6	173.1	-65.6	0	0	0	0	113	C186 N187 I188 N213 T236	C186-S190 WeakPolarHBondContact O-CB 3.31Å; C186-S190 PolarHBondContact O-N 3.25Å; C186-S190 PolarHBondContact O-OG 2.85Å; N187-S190 PolarHBondContact O-N 2.89Å; I188-S190 VanDerWaalsContact C-N 3.31Å; I188-S190 PolarHBondContact O-N 2.83Å; S190-N213 PolarHBondContact O-N 2.73Å; S190-N213 PolarHBondContact O-ND2 3.08Å; S190-T236 CarbonylContact C-O 3.51Å; S190-T236 WeakPolarHBondContact CA-O 3.11Å; S190-T236 WeakPolarHBondContact CB-O 3.37Å
191	K	94.9	Very high	92.5	Very high	109 Å²	109	29.2 Å²	29.2	47%	0.474	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-35.4	167.6	-72.9	176.5	-179.5	-179.9	0	111.6	T211 E212 T236 D238	K191-T211 VanDerWaalsContact O-CA 3.32Å; K191-T211 WeakPolarHBondContact O-CA 3.29Å; K191-E212 PolarHBondContact O-N 2.86Å; K191-T236 PolarHBondContact N-O 2.69Å; K191-D238 WeakPolarHBondContact CE-OD1 3.35Å; K191-D238 HydrophobicContact CG-CB 3.88Å; K191-D238 IonicContact NZ-OD1 2.72Å
192	R	96.6	Very high	92.7	Very high	99 Å²	99	31.1 Å²	31.1	37%	0.374	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	133	175.2	-169.4	172.7	-178.3	83	8.8	109.2	T209 W210 T211 E218 F235 T236	R192-T209 HydrophobicContact CG-CG2 3.41Å; R192-T209 VanDerWaalsContact CG-CG2 3.41Å; R192-T209 VanDerWaalsContact CZ-CG2 3.44Å; R192-T209 PolarHBondContact NH2-OG1 3.09Å; R192-T209 VanDerWaalsContact NH2-OG1 3.08Å; R192-W210 CarbonylContact C-O 3.52Å; R192-W210 WeakPolarHBondContact CA-O 3.32Å; R192-T211 HydrophobicContact CB-CG2 4.47Å; R192-T211 HydrophobicContact CG-CG2 4.18Å; R192-E218 IonicContact CZ-OE1 2.8Å; R192-E218 IonicContact CZ-OE2 2.97Å; R192-E218 IonicContact NH1-OE1 2.59Å; R192-E218 PolarHBondContact NH1-OE1 2.97Å; R192-E218 VanDerWaalsContact NH2-CD 3.31Å; R192-E218 IonicContact NH2-OE1 2.7Å; R192-E218 PolarHBondContact NH2-OE1 2.87Å; R192-E218 IonicContact NH2-OE2 2.75Å; R192-E218 PolarHBondContact NH2-OE2 3.31Å; R192-F235 WeakPolarHBondContact O-CA 3.07Å; R192-T236 PolarHBondContact O-N 2.7Å
193	F	97.2	Very high	92.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	103.2	-178.9	-177.3	-86.8	0	0	0	109	I104 F158 C186 N187 V195 T209 W210 V233 K234 F235	I104-F193 HydrophobicContact CD1-CE2 4.29Å; I104-F193 HydrophobicContact CD1-CZ 4.34Å; F158-F193 HydrophobicContact CB-CE1 4.17Å; F158-F193 AromaticContact CD1-CE1 3.53Å; F158-F193 HydrophobicContact CD1-CE1 3.53Å; F158-F193 AromaticContact CD1-CZ 3.6Å; F158-F193 HydrophobicContact CD1-CZ 3.6Å; F158-F193 HydrophobicContact CE1-CE1 4.17Å; F158-F193 AromaticContact CE1-CZ 3.89Å; F158-F193 HydrophobicContact CE1-CZ 3.89Å; F158-F193 HydrophobicContact CG-CE1 4.1Å; C186-F193 HydrophobicContact CB-CE2 3.93Å; N187-F193 HydrophobicContact CB-CB 4.3Å; N187-F193 HydrophobicContact CB-CD1 3.85Å; N187-F193 HydrophobicContact CB-CD2 4.03Å; N187-F193 HydrophobicContact CB-CE1 4.15Å; N187-F193 HydrophobicContact CB-CE2 4.33Å; N187-F193 HydrophobicContact CB-CG 3.8Å; N187-F193 HydrophobicContact CB-CZ 4.39Å; N187-F193 WeakPolarHBondContact OD1-CB 3.31Å; F193-V195 HydrophobicContact CD1-CG2 4.14Å; F193-V195 HydrophobicContact CE1-CG2 3.51Å; F193-V195 HydrophobicContact CZ-CG2 4.31Å; F193-T209 CarbonylContact O-C 3.58Å; F193-T209 WeakPolarHBondContact O-CA 3.15Å; F193-T209 WeakPolarHBondContact O-CG2 3.33Å; F193-W210 AromaticContact CD1-CE3 3.94Å; F193-W210 HydrophobicContact CD1-CE3 3.94Å; F193-W210 HydrophobicContact CD1-CZ3 4.46Å; F193-W210 PolarHBondContact N-O 3.08Å; F193-W210 PolarHBondContact O-N 2.94Å; F193-V233 HydrophobicContact CD2-CG1 4.47Å; F193-V233 HydrophobicContact CE1-CG1 4.31Å; F193-V233 HydrophobicContact CE2-CG1 3.57Å; F193-V233 HydrophobicContact CZ-CG1 3.47Å; F193-V233 VanDerWaalsContact CZ-CG1 3.47Å; F193-K234 CarbonylContact C-O 3.55Å; F193-F235 HydrophobicContact CD2-CB 3.62Å; F193-F235 HydrophobicContact CD2-CG 4.44Å; F193-F235 HydrophobicContact CE2-CB 4.28Å; F193-F235 HydrophobicContact CG-CB 4.45Å
194	T	97	Very high	93	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.055	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.1	-179.2	-57.4	0	0	0	0	110.4	E196 K207 Q208 T209 K234	T194-E196 HydrophobicContact CG2-CG 4Å; T194-K207 HydrophobicContact CG2-CG 4.44Å; T194-Q208 WeakPolarHBondContact CA-O 3.37Å; T194-T209 WeakPolarHBondContact OG1-CG2 3.47Å; T194-T209 PolarHBondContact OG1-OG1 2.8Å; T194-K234 PolarHBondContact N-O 3.04Å; T194-K234 PolarHBondContact O-N 3Å
195	V	96.2	Very high	93	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128	172.3	177.6	0	0	0	0	108.2	F158 F193 K207 Q208 W210 C232	F158-V195 HydrophobicContact CB-CG2 4.18Å; F158-V195 HydrophobicContact CD1-CG2 3.91Å; F158-V195 HydrophobicContact CD2-CB 4.29Å; F158-V195 HydrophobicContact CD2-CG1 3.85Å; F158-V195 HydrophobicContact CD2-CG2 3.63Å; F158-V195 HydrophobicContact CE1-CG2 4.12Å; F158-V195 HydrophobicContact CE2-CB 4.36Å; F158-V195 HydrophobicContact CE2-CG1 3.57Å; F158-V195 HydrophobicContact CE2-CG2 3.84Å; F158-V195 HydrophobicContact CG-CG2 3.67Å; F158-V195 HydrophobicContact CZ-CG1 4.25Å; F158-V195 HydrophobicContact CZ-CG2 4.08Å; F193-V195 HydrophobicContact CD1-CG2 4.14Å; F193-V195 HydrophobicContact CE1-CG2 3.51Å; F193-V195 HydrophobicContact CZ-CG2 4.31Å; V195-K207 VanDerWaalsContact O-CA 3.27Å; V195-K207 WeakPolarHBondContact O-CA 3.46Å; V195-Q208 PolarHBondContact N-O 3.25Å; V195-Q208 PolarHBondContact O-N 3.22Å; V195-Q208 VanDerWaalsContact O-N 3.07Å; V195-W210 HydrophobicContact CB-CZ3 4.28Å; V195-W210 HydrophobicContact CG2-CZ3 3.88Å; V195-C232 WeakPolarHBondContact CA-O 3.31Å
196	E	95	Very high	93.1	Very high	49 Å²	49	43.5 Å²	43.5	23%	0.229	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.2	172.7	-46.8	175.8	138.4	0	0	108.1	T194 F206 K207 Y230 C232	T194-E196 HydrophobicContact CG2-CG 4Å; E196-F206 CarbonylContact C-O 3.54Å; E196-F206 WeakPolarHBondContact CA-O 3.33Å; E196-K207 HydrophobicContact CG-CB 4.34Å; E196-K207 HydrophobicContact CG-CD 4Å; E196-K207 HydrophobicContact CG-CG 4.11Å; E196-K207 WeakPolarHBondContact OE1-CD 3.44Å; E196-K207 WeakPolarHBondContact OE1-CE 3.29Å; E196-K207 IonicContact OE1-NZ 2.6Å; E196-K207 PolarHBondContact OE1-NZ 3.08Å; E196-Y230 HydrophobicContact CB-CE2 4.41Å; E196-C232 HydrophobicContact CB-CB 4.04Å; E196-C232 PolarHBondContact N-O 3.42Å; E196-C232 WeakPolarHBondContact O-CA 3.35Å; E196-C232 VanDerWaalsContact O-CB 3.32Å; E196-C232 WeakPolarHBondContact O-CB 3.31Å; E196-C232 PolarHBondContact O-N 2.66Å
197	T	94.2	Very high	93.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	140.7	-178.7	-169.4	0	0	0	0	112.2	I141 V143 P154 A205 F206 Y230 T231	I141-T197 HydrophobicContact CB-CG2 4.14Å; I141-T197 HydrophobicContact CD1-CG2 4.38Å; I141-T197 PolarHBondContact N-OG1 2.83Å; V143-T197 HydrophobicContact CG2-CG2 4.35Å; P154-T197 HydrophobicContact CG-CG2 4.22Å; T197-A205 CarbonylContact O-C 3.58Å; T197-A205 VanDerWaalsContact O-CA 3.29Å; T197-A205 WeakPolarHBondContact O-CA 3.23Å; T197-F206 HydrophobicContact CG2-CB 4.04Å; T197-F206 HydrophobicContact CG2-CD1 4.43Å; T197-F206 PolarHBondContact N-O 2.93Å; T197-F206 PolarHBondContact O-N 2.9Å; T197-Y230 VanDerWaalsContact CA-O 3.29Å; T197-Y230 WeakPolarHBondContact CA-O 3.4Å; T197-Y230 WeakPolarHBondContact CB-O 2.74Å; T197-Y230 PolarHBondContact OG1-O 2.64Å; T197-T231 PolarHBondContact OG1-OG1 3.26Å; T197-T231 VanDerWaalsContact OG1-OG1 3.05Å
198	S	92.5	Very high	93.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.5	174.3	170.9	0	0	0	0	109.6	G140 C225 E228 Y230	G140-S198 WeakPolarHBondContact CA-O 3.37Å; S198-C225 PolarHBondContact OG-SG 2.83Å; S198-E228 VanDerWaalsContact CB-O 3.3Å; S198-E228 WeakPolarHBondContact CB-O 3.4Å; S198-E228 PolarHBondContact OG-O 3.39Å; S198-Y230 VanDerWaalsContact CB-CE1 3.43Å; S198-Y230 PolarHBondContact N-O 3.16Å; S198-Y230 PolarHBondContact O-N 2.85Å
199	S	88.6	Confident	93.3	Very high	1 Å²	1	47 Å²	47	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	105.5	170.3	-167.5	0	0	0	0	111.8	I141 E201 Y202 R203 K204	I141-S199 WeakPolarHBondContact O-CB 3.46Å; S199-E201 PolarHBondContact O-N 2.97Å; S199-Y202 CarbonylContact O-C 3.54Å; S199-Y202 PolarHBondContact O-N 3.4Å; S199-Y202 VanDerWaalsContact O-N 3.11Å; S199-R203 PolarHBondContact O-N 3.09Å; S199-K204 PolarHBondContact N-O 3.32Å; S199-K204 PolarHBondContact O-N 3.35Å
200	R	86	Confident	93.4	Very high	166 Å²	166	47.4 Å²	47.4	63%	0.626	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.4	179.5	-176	175.3	173.7	175.4	2	113.5	R203 D229	R200-R203 WeakPolarHBondContact O-CG 3.48Å; R200-D229 WeakPolarHBondContact CB-OD1 3.42Å; R200-D229 PolarHBondContact N-OD1 3.29Å
201	E	86.3	Confident	93.3	Very high	110 Å²	110	48.8 Å²	48.8	51%	0.514	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-43	171.7	-175.1	175.6	140.1	0	0	111.2	K139 S199	K139-E201 VanDerWaalsContact CE-OE2 3.32Å; K139-E201 WeakPolarHBondContact CE-OE2 3.46Å; K139-E201 IonicContact NZ-OE1 3.97Å; K139-E201 IonicContact NZ-OE2 3.76Å; K139-E201 PolarHBondContact NZ-OE2 2.73Å; S199-E201 PolarHBondContact O-N 2.97Å
202	Y	88.5	Confident	93.2	Very high	84 Å²	84	48.3 Å²	48.3	33%	0.329	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-4.3	179.6	-60.4	-90.3	0	0	0	113	P142 V144 S199 K204	P142-Y202 HydrophobicContact CB-CD2 4.07Å; P142-Y202 HydrophobicContact CB-CE2 3.58Å; P142-Y202 HydrophobicContact CG-CE2 4.08Å; V144-Y202 HydrophobicContact CB-CD1 3.81Å; V144-Y202 HydrophobicContact CB-CE1 3.81Å; V144-Y202 HydrophobicContact CG1-CD1 4.4Å; V144-Y202 HydrophobicContact CG1-CE1 3.99Å; V144-Y202 HydrophobicContact CG2-CD1 4.34Å; V144-Y202 HydrophobicContact CG2-CE1 4.21Å; S199-Y202 CarbonylContact O-C 3.54Å; S199-Y202 PolarHBondContact O-N 3.4Å; S199-Y202 VanDerWaalsContact O-N 3.11Å; Y202-K204 PolarHBondContact O-N 3.03Å
203	R	89	Confident	93	Very high	186 Å²	186	44.7 Å²	44.7	70%	0.702	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	33.4	-179.2	-57	-178.9	-178.2	177.4	0.3	114	S199 R200 C225	S199-R203 PolarHBondContact O-N 3.09Å; R200-R203 WeakPolarHBondContact O-CG 3.48Å; R203-C225 CarbonylContact C-O 3.52Å; R203-C225 VanDerWaalsContact C-O 3.25Å; R203-C225 WeakPolarHBondContact CA-O 3.46Å; R203-C225 PolarHBondContact O-N 2.92Å
204	K	92.3	Very high	92.8	Very high	79 Å²	79	45.7 Å²	45.7	34%	0.343	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.9	-176.4	-73.7	174.9	177.6	-174.1	0	110.6	V143 S199 Y202 I222 L223	V143-K204 HydrophobicContact CB-CB 3.79Å; V143-K204 HydrophobicContact CB-CD 4.43Å; V143-K204 HydrophobicContact CG1-CB 3.64Å; V143-K204 HydrophobicContact CG1-CD 3.89Å; V143-K204 HydrophobicContact CG1-CG 4.43Å; V143-K204 HydrophobicContact CG2-CB 4.42Å; S199-K204 PolarHBondContact N-O 3.32Å; S199-K204 PolarHBondContact O-N 3.35Å; Y202-K204 PolarHBondContact O-N 3.03Å; K204-I222 HydrophobicContact CB-CG2 4.43Å; K204-I222 HydrophobicContact CD-CG2 3.86Å; K204-I222 HydrophobicContact CG-CG2 4.21Å; K204-L223 CarbonylContact C-O 3.25Å; K204-L223 VanDerWaalsContact CA-O 3.27Å; K204-L223 WeakPolarHBondContact CA-O 3.15Å
205	A	92	Very high	92.5	Very high	16 Å²	16	49.5 Å²	49.5	13%	0.132	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	149	157.7	0	0	0	0	0	108.8	T197 I222 L223 C225	T197-A205 CarbonylContact O-C 3.58Å; T197-A205 VanDerWaalsContact O-CA 3.29Å; T197-A205 WeakPolarHBondContact O-CA 3.23Å; A205-I222 WeakPolarHBondContact O-CA 3.36Å; A205-L223 PolarHBondContact N-O 3.18Å; A205-L223 PolarHBondContact O-N 3.48Å; A205-C225 HydrophobicContact CB-CB 3.71Å
206	F	94.4	Very high	92.3	Very high	3 Å²	3	54.4 Å²	54.4	1%	0.013	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.3	178.8	175.1	-79.8	0	0	0	108.9	V143 F152 P154 E155 E196 T197 Q208 P220 E221 I222	V143-F206 HydrophobicContact CB-CB 4.37Å; V143-F206 HydrophobicContact CG1-CB 3.77Å; V143-F206 HydrophobicContact CG1-CD2 4.2Å; V143-F206 HydrophobicContact CG1-CG 4.46Å; V143-F206 HydrophobicContact CG2-CB 3.63Å; F152-F206 HydrophobicContact CB-CD2 4.3Å; F152-F206 HydrophobicContact CB-CE2 3.66Å; F152-F206 HydrophobicContact CB-CZ 4.49Å; F152-F206 HydrophobicContact CG-CE2 4.12Å; P154-F206 HydrophobicContact CB-CD1 3.66Å; P154-F206 HydrophobicContact CB-CD2 4.46Å; P154-F206 HydrophobicContact CB-CE1 3.52Å; P154-F206 HydrophobicContact CB-CE2 4.31Å; P154-F206 HydrophobicContact CB-CG 4.15Å; P154-F206 HydrophobicContact CB-CZ 3.86Å; P154-F206 HydrophobicContact CG-CB 4.43Å; P154-F206 HydrophobicContact CG-CD1 3.93Å; P154-F206 HydrophobicContact CG-CD2 4.13Å; P154-F206 HydrophobicContact CG-CE1 4.19Å; P154-F206 HydrophobicContact CG-CE2 4.35Å; P154-F206 HydrophobicContact CG-CG 3.91Å; P154-F206 HydrophobicContact CG-CZ 4.37Å; E155-F206 HydrophobicContact CB-CZ 4.19Å; E196-F206 CarbonylContact C-O 3.54Å; E196-F206 WeakPolarHBondContact CA-O 3.33Å; T197-F206 HydrophobicContact CG2-CB 4.04Å; T197-F206 HydrophobicContact CG2-CD1 4.43Å; T197-F206 PolarHBondContact N-O 2.93Å; T197-F206 PolarHBondContact O-N 2.9Å; F206-Q208 HydrophobicContact CE1-CB 3.5Å; F206-Q208 HydrophobicContact CZ-CB 3.66Å; F206-Q208 HydrophobicContact CZ-CG 4.49Å; F206-P220 HydrophobicContact CD2-CB 4.13Å; F206-P220 HydrophobicContact CE2-CB 3.36Å; F206-P220 HydrophobicContact CE2-CG 4.33Å; F206-P220 HydrophobicContact CZ-CB 3.67Å; F206-E221 CarbonylContact C-O 3.52Å; F206-E221 WeakPolarHBondContact CA-O 3.35Å; F206-I222 HydrophobicContact CD2-CD1 4.19Å; F206-I222 HydrophobicContact CD2-CG1 3.97Å
207	K	95.8	Very high	92.1	Very high	69 Å²	69	55.6 Å²	55.6	30%	0.3	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	129.8	172	164.9	168.2	176.5	157.4	0	110.5	T194 V195 E196 P220 E221	T194-K207 HydrophobicContact CG2-CG 4.44Å; V195-K207 VanDerWaalsContact O-CA 3.27Å; V195-K207 WeakPolarHBondContact O-CA 3.46Å; E196-K207 HydrophobicContact CG-CB 4.34Å; E196-K207 HydrophobicContact CG-CD 4Å; E196-K207 HydrophobicContact CG-CG 4.11Å; E196-K207 WeakPolarHBondContact OE1-CD 3.44Å; E196-K207 WeakPolarHBondContact OE1-CE 3.29Å; E196-K207 IonicContact OE1-NZ 2.6Å; E196-K207 PolarHBondContact OE1-NZ 3.08Å; K207-P220 CarbonylContact O-C 3.54Å; K207-P220 WeakPolarHBondContact O-CA 3.49Å; K207-E221 HydrophobicContact CB-CB 4.06Å; K207-E221 WeakPolarHBondContact CD-OE2 3.47Å; K207-E221 HydrophobicContact CG-CB 4.42Å; K207-E221 PolarHBondContact N-O 2.87Å; K207-E221 PolarHBondContact O-N 3.46Å
208	Q	96	Very high	92	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.014	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	147.8	174.8	-166.8	174.1	25.8	0	0	109.6	E155 T194 V195 F206 W210 E218 P220	E155-Q208 VanDerWaalsContact CB-OE1 3.3Å; E155-Q208 PolarHBondContact OE1-NE2 2.9Å; T194-Q208 WeakPolarHBondContact CA-O 3.37Å; V195-Q208 PolarHBondContact N-O 3.25Å; V195-Q208 PolarHBondContact O-N 3.22Å; V195-Q208 VanDerWaalsContact O-N 3.07Å; F206-Q208 HydrophobicContact CE1-CB 3.5Å; F206-Q208 HydrophobicContact CZ-CB 3.66Å; F206-Q208 HydrophobicContact CZ-CG 4.49Å; Q208-W210 HydrophobicContact CB-CH2 4.07Å; Q208-W210 HydrophobicContact CB-CZ3 4.09Å; Q208-W210 HydrophobicContact CG-CH2 4.1Å; Q208-W210 HydrophobicContact CG-CZ2 4.28Å; Q208-W210 HydrophobicContact CG-CZ3 4.27Å; Q208-E218 VanDerWaalsContact CG-O 3.28Å; Q208-E218 WeakPolarHBondContact CG-O 3.43Å; Q208-E218 PolarHBondContact NE2-O 3.22Å; Q208-P220 HydrophobicContact CB-CB 4.34Å; Q208-P220 HydrophobicContact CG-CB 4.4Å
209	T	96.5	Very high	91.9	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.5	172.2	-42.6	0	0	0	0	111.6	R192 F193 T194 T211 E218	R192-T209 HydrophobicContact CG-CG2 3.41Å; R192-T209 VanDerWaalsContact CG-CG2 3.41Å; R192-T209 VanDerWaalsContact CZ-CG2 3.44Å; R192-T209 PolarHBondContact NH2-OG1 3.09Å; R192-T209 VanDerWaalsContact NH2-OG1 3.08Å; F193-T209 CarbonylContact O-C 3.58Å; F193-T209 WeakPolarHBondContact O-CA 3.15Å; F193-T209 WeakPolarHBondContact O-CG2 3.33Å; T194-T209 WeakPolarHBondContact OG1-CG2 3.47Å; T194-T209 PolarHBondContact OG1-OG1 2.8Å; T209-T211 HydrophobicContact CG2-CG2 4.43Å; T209-E218 VanDerWaalsContact CB-CD 3.49Å; T209-E218 WeakPolarHBondContact CB-OE2 3.3Å; T209-E218 PolarHBondContact O-N 3.05Å; T209-E218 PolarHBondContact OG1-OE2 3.18Å
210	W	96.8	Very high	92	Very high	11 Å²	11	69.1 Å²	69.1	4%	0.042	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	148.4	164.4	-66.3	-96.5	0	0	0	110.3	E155 F158 N187 R192 F193 V195 Q208 K216	E155-W210 HydrophobicContact CG-CZ2 4.37Å; F158-W210 HydrophobicContact CB-CH2 3.8Å; F158-W210 HydrophobicContact CB-CZ2 4.37Å; F158-W210 HydrophobicContact CB-CZ3 4Å; N187-W210 VanDerWaalsContact ND2-CG 3.27Å; N187-W210 WeakPolarHBondContact OD1-CB 3.23Å; R192-W210 CarbonylContact C-O 3.52Å; R192-W210 WeakPolarHBondContact CA-O 3.32Å; F193-W210 AromaticContact CD1-CE3 3.94Å; F193-W210 HydrophobicContact CD1-CE3 3.94Å; F193-W210 HydrophobicContact CD1-CZ3 4.46Å; F193-W210 PolarHBondContact N-O 3.08Å; F193-W210 PolarHBondContact O-N 2.94Å; V195-W210 HydrophobicContact CB-CZ3 4.28Å; V195-W210 HydrophobicContact CG2-CZ3 3.88Å; Q208-W210 HydrophobicContact CB-CH2 4.07Å; Q208-W210 HydrophobicContact CB-CZ3 4.09Å; Q208-W210 HydrophobicContact CG-CH2 4.1Å; Q208-W210 HydrophobicContact CG-CZ2 4.28Å; Q208-W210 HydrophobicContact CG-CZ3 4.27Å; W210-K216 CarbonylContact C-O 3.4Å; W210-K216 VanDerWaalsContact CA-O 3.25Å; W210-K216 WeakPolarHBondContact CA-O 3.41Å
211	T	94.7	Very high	92.3	Very high	30 Å²	30	66.1 Å²	66.1	18%	0.184	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	166.5	175.9	53.9	0	0	0	0	110.6	K191 R192 T209 N213 T215 K216	K191-T211 VanDerWaalsContact O-CA 3.32Å; K191-T211 WeakPolarHBondContact O-CA 3.29Å; R192-T211 HydrophobicContact CB-CG2 4.47Å; R192-T211 HydrophobicContact CG-CG2 4.18Å; T209-T211 HydrophobicContact CG2-CG2 4.43Å; T211-N213 PolarHBondContact O-N 3.05Å; T211-T215 PolarHBondContact O-N 3.03Å; T211-K216 PolarHBondContact N-O 3.16Å; T211-K216 PolarHBondContact O-N 3.43Å; T211-K216 WeakPolarHBondContact OG1-CB 3.46Å
212	E	91.8	Very high	92.5	Very high	98 Å²	98	63.6 Å²	63.6	46%	0.458	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	61.3	175.7	-67.6	173.1	-136	0	0	112.2	K191 M214 T215 K216	K191-E212 PolarHBondContact O-N 2.86Å; E212-M214 PolarHBondContact O-N 3.29Å; E212-T215 WeakPolarHBondContact O-CB 3.38Å; E212-T215 WeakPolarHBondContact O-CG2 3.36Å; E212-T215 PolarHBondContact O-N 2.89Å; E212-T215 PolarHBondContact O-OG1 3.06Å; E212-K216 HydrophobicContact CB-CD 4.49Å; E212-K216 HydrophobicContact CG-CD 4.48Å; E212-K216 WeakPolarHBondContact OE1-CD 3.37Å; E212-K216 IonicContact OE1-NZ 3.84Å; E212-K216 PolarHBondContact OE1-NZ 3.28Å; E212-K216 WeakPolarHBondContact OE2-CE 3.26Å; E212-K216 IonicContact OE2-NZ 3.64Å; E212-K216 PolarHBondContact OE2-NZ 3.4Å
213	N	93.3	Very high	92.6	Very high	23 Å²	23	65 Å²	65	12%	0.123	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	41.5	172.6	-49.1	133.8	0	0	0	114.2	L59 I188 S190 T211 T215 D238 K241	L59-N213 HydrophobicContact CD1-CB 4.29Å; I188-N213 WeakPolarHBondContact O-CA 3.33Å; I188-N213 WeakPolarHBondContact O-CB 3.41Å; I188-N213 PolarHBondContact O-ND2 2.98Å; I188-N213 VanDerWaalsContact O-ND2 3.1Å; S190-N213 PolarHBondContact O-N 2.73Å; S190-N213 PolarHBondContact O-ND2 3.08Å; T211-N213 PolarHBondContact O-N 3.05Å; N213-T215 PolarHBondContact O-N 2.68Å; N213-D238 PolarHBondContact ND2-OD2 2.83Å; N213-K241 WeakPolarHBondContact ND2-CE 3.26Å; N213-K241 WeakPolarHBondContact OD1-CE 3.28Å; N213-K241 PolarHBondContact OD1-NZ 3.44Å
214	M	92.5	Very high	92.6	Very high	21 Å²	21	60.9 Å²	60.9	10%	0.103	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	12.3	-176	-158.6	176.5	79.9	0	0	114.8	L55 G159 L161 K184 N187 I188 E212	L55-M214 HydrophobicContact CD1-CE 4.19Å; G159-M214 VanDerWaalsContact O-CE 3.26Å; G159-M214 WeakPolarHBondContact O-CE 3.38Å; G159-M214 VanDerWaalsContact O-SD 3.38Å; L161-M214 HydrophobicContact CG-CE 4.31Å; K184-M214 HydrophobicContact CB-CE 4.5Å; K184-M214 HydrophobicContact CB-SD 4.08Å; K184-M214 HydrophobicContact CG-CE 4.31Å; K184-M214 HydrophobicContact CG-SD 3.83Å; N187-M214 HydrophobicContact CB-CB 4.34Å; N187-M214 HydrophobicContact CB-CG 4.23Å; N187-M214 HydrophobicContact CB-SD 3.91Å; N187-M214 WeakPolarHBondContact ND2-CG 3.28Å; I188-M214 HydrophobicContact CD1-CE 3.79Å; I188-M214 HydrophobicContact CD1-SD 4.47Å; I188-M214 HydrophobicContact CG1-CB 3.9Å; I188-M214 HydrophobicContact CG1-CE 3.68Å; I188-M214 HydrophobicContact CG1-SD 3.95Å; E212-M214 PolarHBondContact O-N 3.29Å
215	T	90.5	Very high	92	Very high	89 Å²	89	57.8 Å²	57.8	55%	0.546	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-17.7	177.7	67.3	0	0	0	0	113.9	L55 T211 E212 N213	L55-T215 HydrophobicContact CD2-CG2 4.3Å; T211-T215 PolarHBondContact O-N 3.03Å; E212-T215 WeakPolarHBondContact O-CB 3.38Å; E212-T215 WeakPolarHBondContact O-CG2 3.36Å; E212-T215 PolarHBondContact O-N 2.89Å; E212-T215 PolarHBondContact O-OG1 3.06Å; N213-T215 PolarHBondContact O-N 2.68Å
216	K	91.1	Very high	91.2	Very high	103 Å²	103	67.7 Å²	67.7	45%	0.448	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	146.9	175.3	-69	176.6	-177.3	165.7	0	110.8	W210 T211 E212	W210-K216 CarbonylContact C-O 3.4Å; W210-K216 VanDerWaalsContact CA-O 3.25Å; W210-K216 WeakPolarHBondContact CA-O 3.41Å; T211-K216 PolarHBondContact N-O 3.16Å; T211-K216 PolarHBondContact O-N 3.43Å; T211-K216 WeakPolarHBondContact OG1-CB 3.46Å; E212-K216 HydrophobicContact CB-CD 4.49Å; E212-K216 HydrophobicContact CG-CD 4.48Å; E212-K216 WeakPolarHBondContact OE1-CD 3.37Å; E212-K216 IonicContact OE1-NZ 3.84Å; E212-K216 PolarHBondContact OE1-NZ 3.28Å; E212-K216 WeakPolarHBondContact OE2-CE 3.26Å; E212-K216 IonicContact OE2-NZ 3.64Å; E212-K216 PolarHBondContact OE2-NZ 3.4Å
217	S	90.5	Very high	90.5	Very high	74 Å²	74	72.8 Å²	72.8	52%	0.517	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	132.8	177.5	51.8	0	0	0	0	110.4
218	E	92.4	Very high	90.1	Very high	70 Å²	70	76.4 Å²	76.4	33%	0.327	39%	0.392	S	S	.	.			trans	-68.3	152.5	162	-67.4	168	-170.3	0	0	108.8	R192 Q208 T209	R192-E218 IonicContact CZ-OE1 2.8Å; R192-E218 IonicContact CZ-OE2 2.97Å; R192-E218 IonicContact NH1-OE1 2.59Å; R192-E218 PolarHBondContact NH1-OE1 2.97Å; R192-E218 VanDerWaalsContact NH2-CD 3.31Å; R192-E218 IonicContact NH2-OE1 2.7Å; R192-E218 PolarHBondContact NH2-OE1 2.87Å; R192-E218 IonicContact NH2-OE2 2.75Å; R192-E218 PolarHBondContact NH2-OE2 3.31Å; Q208-E218 VanDerWaalsContact CG-O 3.28Å; Q208-E218 WeakPolarHBondContact CG-O 3.43Å; Q208-E218 PolarHBondContact NE2-O 3.22Å; T209-E218 VanDerWaalsContact CB-CD 3.49Å; T209-E218 WeakPolarHBondContact CB-OE2 3.3Å; T209-E218 PolarHBondContact O-N 3.05Å; T209-E218 PolarHBondContact OG1-OE2 3.18Å
219	E	90.6	Very high	89.9	Confident	179 Å²	179	77.7 Å²	77.7	84%	0.836	40%	0.399	S	S	*	.			trans	-65.4	146.9	172.4	-70.7	-169.3	162.9	0	0	110.6	E221	E219-E221 PolarHBondContact O-N 3.37Å
220	P	91.3	Very high	89.8	Confident	37 Å²	37	80.7 Å²	80.7	24%	0.24	41%	0.411	C	S	.	.			trans	-73.2	114.6	-177.5	28	-33.4	0	0	0	112.3	F152 F206 K207 Q208 I222	F152-P220 HydrophobicContact CD2-CG 4.31Å; F206-P220 HydrophobicContact CD2-CB 4.13Å; F206-P220 HydrophobicContact CE2-CB 3.36Å; F206-P220 HydrophobicContact CE2-CG 4.33Å; F206-P220 HydrophobicContact CZ-CB 3.67Å; K207-P220 CarbonylContact O-C 3.54Å; K207-P220 WeakPolarHBondContact O-CA 3.49Å; Q208-P220 HydrophobicContact CB-CB 4.34Å; Q208-P220 HydrophobicContact CG-CB 4.4Å; P220-I222 HydrophobicContact CB-CG1 4.38Å; P220-I222 PolarHBondContact O-N 2.89Å
221	E	92.3	Very high	89.7	Confident	103 Å²	103	80.8 Å²	80.8	48%	0.481	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	113.5	166.5	-68.4	175.6	-154.1	0	0	109.5	F206 K207 E219	F206-E221 CarbonylContact C-O 3.52Å; F206-E221 WeakPolarHBondContact CA-O 3.35Å; K207-E221 HydrophobicContact CB-CB 4.06Å; K207-E221 WeakPolarHBondContact CD-OE2 3.47Å; K207-E221 HydrophobicContact CG-CB 4.42Å; K207-E221 PolarHBondContact N-O 2.87Å; K207-E221 PolarHBondContact O-N 3.46Å; E219-E221 PolarHBondContact O-N 3.37Å
222	I	91.3	Very high	89.8	Confident	56 Å²	56	79.5 Å²	79.5	29%	0.287	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	114.7	179.2	-61.5	177.8	0	0	0	109.9	V143 F152 K204 A205 F206 P220	V143-I222 HydrophobicContact CG1-CG2 4.36Å; F152-I222 HydrophobicContact CD1-CD1 3.9Å; F152-I222 HydrophobicContact CD2-CD1 3.8Å; F152-I222 HydrophobicContact CE1-CD1 3.56Å; F152-I222 HydrophobicContact CE2-CD1 3.44Å; F152-I222 VanDerWaalsContact CE2-CD1 3.44Å; F152-I222 HydrophobicContact CG-CD1 4.02Å; F152-I222 HydrophobicContact CZ-CD1 3.32Å; K204-I222 HydrophobicContact CB-CG2 4.43Å; K204-I222 HydrophobicContact CD-CG2 3.86Å; K204-I222 HydrophobicContact CG-CG2 4.21Å; A205-I222 WeakPolarHBondContact O-CA 3.36Å; F206-I222 HydrophobicContact CD2-CD1 4.19Å; F206-I222 HydrophobicContact CD2-CG1 3.97Å; P220-I222 HydrophobicContact CB-CG1 4.38Å; P220-I222 PolarHBondContact O-N 2.89Å
223	L	90.4	Very high	90	Very high	113 Å²	113	75.2 Å²	75.2	59%	0.592	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	147	-177.8	-60.7	177.1	0	0	0	110.7	K204 A205 C225	K204-L223 CarbonylContact C-O 3.25Å; K204-L223 VanDerWaalsContact CA-O 3.27Å; K204-L223 WeakPolarHBondContact CA-O 3.15Å; A205-L223 PolarHBondContact N-O 3.18Å; A205-L223 PolarHBondContact O-N 3.48Å; L223-C225 PolarHBondContact O-N 3.35Å
224	A	87.3	Confident	90.2	Very high	101 Å²	101	77 Å²	77	84%	0.835	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	126.2	169.2	0	0	0	0	0	109.6
225	C	80.5	Confident	90.4	Very high	13 Å²	13	76.1 Å²	76.1	9%	0.088	39%	0.388	C	S	.	.			trans	-134.8	143.9	-173.4	178.5	0	0	0	0	110.9	S198 R203 A205 L223 D227	S198-C225 PolarHBondContact OG-SG 2.83Å; R203-C225 CarbonylContact C-O 3.52Å; R203-C225 VanDerWaalsContact C-O 3.25Å; R203-C225 WeakPolarHBondContact CA-O 3.46Å; R203-C225 PolarHBondContact O-N 2.92Å; A205-C225 HydrophobicContact CB-CB 3.71Å; L223-C225 PolarHBondContact O-N 3.35Å; C225-D227 PolarHBondContact SG-OD2 2.84Å
226	R	75.3	Confident	90.8	Very high	224 Å²	224	73.4 Å²	73.4	85%	0.845	37%	0.371	S	S	*	.			trans	-124.5	0.6	178.5	-65.6	-173.6	179.7	-172	2.1	113.3
227	D	78.8	Confident	91	Very high	111 Å²	111	68.6 Å²	68.6	59%	0.594	35%	0.35	S	S	*	.	S	Bend	trans	-77.7	-170.3	-169.9	-50.2	-73.7	0	0	0	111.5	C225	C225-D227 PolarHBondContact SG-OD2 2.84Å
228	E	87.6	Confident	91.2	Very high	144 Å²	144	65.4 Å²	65.4	67%	0.673	33%	0.328	S	S	*	.			trans	-67.9	151.4	176.5	-60.4	-160.6	146.7	0	0	112.2	S198	S198-E228 VanDerWaalsContact CB-O 3.3Å; S198-E228 WeakPolarHBondContact CB-O 3.4Å; S198-E228 PolarHBondContact OG-O 3.39Å
229	D	92.3	Very high	91.3	Very high	30 Å²	30	62.4 Å²	62.4	16%	0.16	31%	0.314	C	S	.	.			trans	-69.2	132.8	171.7	-86	36.9	0	0	0	110.1	G138 K139 G140 R200	G138-D229 CarbonylContact O-C 3.55Å; G138-D229 WeakPolarHBondContact O-CB 3.41Å; K139-D229 WeakPolarHBondContact CA-OD2 3.27Å; G140-D229 PolarHBondContact N-OD2 2.81Å; R200-D229 WeakPolarHBondContact CB-OD1 3.42Å; R200-D229 PolarHBondContact N-OD1 3.29Å
230	Y	94.4	Very high	91.4	Very high	65 Å²	65	57.9 Å²	57.9	26%	0.255	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	162	172.8	71.4	-93.5	0	0	0	111.5	W135 N136 E196 T197 S198 C232	W135-Y230 AromaticContact CD1-CD2 3.87Å; W135-Y230 HydrophobicContact CZ2-CG 4.45Å; W135-Y230 AromaticContact NE1-CD2 3.38Å; W135-Y230 AromaticContact NE1-CG 3.55Å; N136-Y230 VanDerWaalsContact O-CA 3.29Å; N136-Y230 WeakPolarHBondContact O-CA 3.2Å; N136-Y230 WeakPolarHBondContact O-CB 3.44Å; E196-Y230 HydrophobicContact CB-CE2 4.41Å; T197-Y230 VanDerWaalsContact CA-O 3.29Å; T197-Y230 WeakPolarHBondContact CA-O 3.4Å; T197-Y230 WeakPolarHBondContact CB-O 2.74Å; T197-Y230 PolarHBondContact OG1-O 2.64Å; S198-Y230 VanDerWaalsContact CB-CE1 3.43Å; S198-Y230 PolarHBondContact N-O 3.16Å; S198-Y230 PolarHBondContact O-N 2.85Å; Y230-C232 HydrophobicContact CD2-CB 4.22Å; Y230-C232 HydrophobicContact CE2-CB 4.16Å
231	T	95.3	Very high	91.5	Very high	13 Å²	13	58.8 Å²	58.8	8%	0.08	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.2	164.2	-59	0	0	0	0	109.2	W135 N136 I141 T197 V233	W135-T231 WeakPolarHBondContact CA-O 3.36Å; N136-T231 PolarHBondContact N-O 2.67Å; N136-T231 PolarHBondContact O-N 2.92Å; I141-T231 HydrophobicContact CD1-CG2 3.75Å; I141-T231 HydrophobicContact CG1-CG2 4.48Å; T197-T231 PolarHBondContact OG1-OG1 3.26Å; T197-T231 VanDerWaalsContact OG1-OG1 3.05Å; T231-V233 HydrophobicContact CG2-CG2 4.47Å
232	C	96.4	Very high	91.5	Very high	2 Å²	2	54 Å²	54	1%	0.014	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.5	-178	-168.8	0	0	0	0	107.4	K133 I134 V195 E196 Y230	K133-C232 VanDerWaalsContact CE-SG 3.51Å; I134-C232 WeakPolarHBondContact O-CA 3.39Å; V195-C232 WeakPolarHBondContact CA-O 3.31Å; E196-C232 HydrophobicContact CB-CB 4.04Å; E196-C232 PolarHBondContact N-O 3.42Å; E196-C232 WeakPolarHBondContact O-CA 3.35Å; E196-C232 VanDerWaalsContact O-CB 3.32Å; E196-C232 WeakPolarHBondContact O-CB 3.31Å; E196-C232 PolarHBondContact O-N 2.66Å; Y230-C232 HydrophobicContact CD2-CB 4.22Å; Y230-C232 HydrophobicContact CE2-CB 4.16Å
233	V	96.9	Very high	91.5	Very high	9 Å²	9	55 Å²	55	6%	0.055	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	121	172.3	179.7	0	0	0	0	107.6	I104 K133 I134 F158 F193 T231 F235	I104-V233 HydrophobicContact CD1-CG1 4.13Å; I104-V233 HydrophobicContact CG1-CG1 4.32Å; I104-V233 HydrophobicContact CG2-CB 3.79Å; I104-V233 HydrophobicContact CG2-CG1 3.88Å; I104-V233 HydrophobicContact CG2-CG2 4.25Å; K133-V233 WeakPolarHBondContact CA-O 3.38Å; I134-V233 PolarHBondContact N-O 3.27Å; I134-V233 PolarHBondContact O-N 3.22Å; F158-V233 HydrophobicContact CE1-CG2 3.93Å; F158-V233 HydrophobicContact CZ-CG2 3.74Å; F193-V233 HydrophobicContact CD2-CG1 4.47Å; F193-V233 HydrophobicContact CE1-CG1 4.31Å; F193-V233 HydrophobicContact CE2-CG1 3.57Å; F193-V233 HydrophobicContact CZ-CG1 3.47Å; F193-V233 VanDerWaalsContact CZ-CG1 3.47Å; T231-V233 HydrophobicContact CG2-CG2 4.47Å; V233-F235 HydrophobicContact CG1-CD1 4.44Å
234	K	97.3	Very high	91.5	Very high	61 Å²	61	51 Å²	51	27%	0.265	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.5	-178.6	172.8	176.9	162.7	152.4	0	109.1	E131 I132 K133 F193 T194	E131-K234 HydrophobicContact CG-CG 4.46Å; E131-K234 WeakPolarHBondContact OE1-CE 3.44Å; E131-K234 IonicContact OE1-NZ 3.2Å; E131-K234 PolarHBondContact OE1-NZ 2.85Å; E131-K234 WeakPolarHBondContact OE2-CE 3.24Å; E131-K234 IonicContact OE2-NZ 2.71Å; E131-K234 PolarHBondContact OE2-NZ 2.77Å; I132-K234 CarbonylContact O-C 3.52Å; I132-K234 WeakPolarHBondContact O-CA 3.46Å; K133-K234 HydrophobicContact CB-CB 4.42Å; K133-K234 HydrophobicContact CB-CG 4.47Å; K133-K234 HydrophobicContact CG-CB 4.33Å; F193-K234 CarbonylContact C-O 3.55Å; T194-K234 PolarHBondContact N-O 3.04Å; T194-K234 PolarHBondContact O-N 3Å
235	F	97	Very high	91.8	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.3	-175.7	66.6	-79.6	0	0	0	113.4	I100 F101 I104 I132 I134 C186 R192 F193 V233 P237	I100-F235 HydrophobicContact CD1-CE2 4.32Å; F101-F235 HydrophobicContact CB-CZ 4.37Å; F101-F235 HydrophobicContact CD2-CZ 4.38Å; I104-F235 HydrophobicContact CG1-CE1 4.39Å; I132-F235 HydrophobicContact CB-CD1 4.22Å; I132-F235 HydrophobicContact CB-CE1 3.79Å; I132-F235 HydrophobicContact CB-CE2 4.19Å; I132-F235 HydrophobicContact CB-CZ 3.77Å; I132-F235 HydrophobicContact CD1-CE2 3.84Å; I132-F235 HydrophobicContact CD1-CZ 3.83Å; I132-F235 HydrophobicContact CG1-CZ 4.4Å; I132-F235 HydrophobicContact CG2-CD1 4.43Å; I132-F235 HydrophobicContact CG2-CE1 3.63Å; I132-F235 HydrophobicContact CG2-CZ 3.74Å; I132-F235 PolarHBondContact N-O 2.99Å; I132-F235 PolarHBondContact O-N 3.13Å; I134-F235 HydrophobicContact CD1-CE1 4.5Å; C186-F235 WeakPolarHBondContact SG-CD2 3.39Å; R192-F235 WeakPolarHBondContact O-CA 3.07Å; F193-F235 HydrophobicContact CD2-CB 3.62Å; F193-F235 HydrophobicContact CD2-CG 4.44Å; F193-F235 HydrophobicContact CE2-CB 4.28Å; F193-F235 HydrophobicContact CG-CB 4.45Å; V233-F235 HydrophobicContact CG1-CD1 4.44Å; F235-P237 HydrophobicContact CD2-CG 3.88Å; F235-P237 HydrophobicContact CE2-CG 3.88Å
236	T	97.1	Very high	92.4	Very high	32 Å²	32	57.4 Å²	57.4	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	101.9	173.5	-60.3	0	0	0	0	106.9	N130 S190 K191 R192	N130-T236 WeakPolarHBondContact O-CA 3.18Å; S190-T236 CarbonylContact C-O 3.51Å; S190-T236 WeakPolarHBondContact CA-O 3.11Å; S190-T236 WeakPolarHBondContact CB-O 3.37Å; K191-T236 PolarHBondContact N-O 2.69Å; R192-T236 PolarHBondContact O-N 2.7Å
237	P	95.8	Very high	93.3	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.013	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	145.7	-179.2	-27.9	36.1	0	0	0	113	L97 I100 N130 I132 F235 L239 F242	L97-P237 HydrophobicContact CD1-CB 3.66Å; L97-P237 HydrophobicContact CD1-CG 3.8Å; I100-P237 HydrophobicContact CD1-CB 4.39Å; N130-P237 VanDerWaalsContact O-CD 3.31Å; N130-P237 WeakPolarHBondContact O-CD 3.3Å; I132-P237 HydrophobicContact CD1-CG 4.21Å; F235-P237 HydrophobicContact CD2-CG 3.88Å; F235-P237 HydrophobicContact CE2-CG 3.88Å; P237-L239 HydrophobicContact CB-CD2 3.91Å; P237-L239 HydrophobicContact CB-CG 4.42Å; P237-L239 PolarHBondContact O-N 2.65Å; P237-F242 HydrophobicContact CB-CE2 4.39Å
238	D	95.6	Very high	93.9	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.043	25%	0.25	C	C	.	.			trans	-81.8	73.4	170.7	-168.1	1.6	0	0	0	110.1	F189 K191 N213 S240 K241 F242	F189-D238 PolarHBondContact O-N 3.47Å; K191-D238 WeakPolarHBondContact CE-OD1 3.35Å; K191-D238 HydrophobicContact CG-CB 3.88Å; K191-D238 IonicContact NZ-OD1 2.72Å; N213-D238 PolarHBondContact ND2-OD2 2.83Å; D238-S240 PolarHBondContact O-N 2.9Å; D238-S240 PolarHBondContact OD1-OG 3.11Å; D238-K241 HydrophobicContact CB-CG 4.33Å; D238-K241 PolarHBondContact O-N 2.78Å; D238-K241 WeakPolarHBondContact OD2-CE 3.3Å; D238-K241 IonicContact OD2-NZ 3.91Å; D238-K241 PolarHBondContact OD2-NZ 3.01Å; D238-F242 WeakPolarHBondContact O-CD2 3.46Å
239	L	93.9	Very high	94.2	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.037	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-51.9	-25.1	-178.1	-61.2	-177.3	0	0	0	113.4	L97 N130 P237 K241 F242 G243 M244 L247	L97-L239 HydrophobicContact CD1-CD2 4.25Å; L97-L239 HydrophobicContact CD2-CD2 3.81Å; N130-L239 HydrophobicContact CB-CD1 3.91Å; N130-L239 VanDerWaalsContact CG-CD1 3.49Å; P237-L239 HydrophobicContact CB-CD2 3.91Å; P237-L239 HydrophobicContact CB-CG 4.42Å; P237-L239 PolarHBondContact O-N 2.65Å; L239-K241 VanDerWaalsContact C-N 3.25Å; L239-K241 PolarHBondContact O-N 3.15Å; L239-F242 CarbonylContact O-C 3.59Å; L239-F242 WeakPolarHBondContact O-CA 3.41Å; L239-F242 PolarHBondContact O-N 3.3Å; L239-G243 PolarHBondContact O-N 2.85Å; L239-G243 VanDerWaalsContact O-N 3.15Å; L239-M244 CarbonylContact C-O 3.53Å; L239-M244 VanDerWaalsContact C-O 3.28Å; L239-M244 HydrophobicContact CB-CB 4.09Å; L239-M244 VanDerWaalsContact CB-O 3.24Å; L239-M244 WeakPolarHBondContact CB-O 3.14Å; L239-M244 HydrophobicContact CD2-CB 4.34Å; L239-M244 PolarHBondContact O-N 3.1Å; L239-M244 VanDerWaalsContact O-O 3.14Å; L239-L247 HydrophobicContact CD2-CD2 3.94Å
240	S	93.3	Very high	94.2	Very high	83 Å²	83	43 Å²	43	58%	0.58	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-62.2	-28.9	174.1	76.3	0	0	0	0	113.7	D238 F242	D238-S240 PolarHBondContact O-N 2.9Å; D238-S240 PolarHBondContact OD1-OG 3.11Å; S240-F242 VanDerWaalsContact C-N 3.33Å
241	K	92.4	Very high	94.2	Very high	56 Å²	56	39.9 Å²	39.9	24%	0.243	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-84.1	-7.3	173.2	-55.9	-161.6	-156.7	-46.2	0	113.8	L59 I69 F189 N213 D238 L239	L59-K241 HydrophobicContact CD2-CD 3.79Å; I69-K241 WeakPolarHBondContact CD1-O 3.46Å; F189-K241 HydrophobicContact CD1-CB 4.32Å; F189-K241 HydrophobicContact CD1-CD 4.16Å; F189-K241 HydrophobicContact CE1-CB 4.47Å; F189-K241 HydrophobicContact CE1-CD 4.16Å; N213-K241 WeakPolarHBondContact ND2-CE 3.26Å; N213-K241 WeakPolarHBondContact OD1-CE 3.28Å; N213-K241 PolarHBondContact OD1-NZ 3.44Å; D238-K241 HydrophobicContact CB-CG 4.33Å; D238-K241 PolarHBondContact O-N 2.78Å; D238-K241 WeakPolarHBondContact OD2-CE 3.3Å; D238-K241 IonicContact OD2-NZ 3.91Å; D238-K241 PolarHBondContact OD2-NZ 3.01Å; L239-K241 VanDerWaalsContact C-N 3.25Å; L239-K241 PolarHBondContact O-N 3.15Å
242	F	92.9	Very high	94.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.009	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-107.7	3.4	177.2	-64	-62.8	0	0	0	112.2	I66 I69 V94 L97 I100 F189 P237 D238 L239 S240 M244	I66-F242 HydrophobicContact CD1-CE1 3.8Å; I66-F242 HydrophobicContact CD1-CZ 4.17Å; I69-F242 HydrophobicContact CB-CD1 4.36Å; I69-F242 HydrophobicContact CG2-CD1 3.87Å; I69-F242 HydrophobicContact CG2-CE1 4.02Å; V94-F242 HydrophobicContact CG1-CB 4.11Å; V94-F242 HydrophobicContact CG1-CD1 3.69Å; V94-F242 HydrophobicContact CG1-CG 4.31Å; V94-F242 WeakPolarHBondContact CG2-O 3.28Å; L97-F242 HydrophobicContact CB-CD1 4.01Å; L97-F242 HydrophobicContact CB-CD2 4.22Å; L97-F242 HydrophobicContact CB-CE1 4.1Å; L97-F242 HydrophobicContact CB-CE2 4.31Å; L97-F242 HydrophobicContact CB-CG 4.06Å; L97-F242 HydrophobicContact CB-CZ 4.24Å; L97-F242 HydrophobicContact CD1-CD2 4.09Å; L97-F242 HydrophobicContact CD1-CE2 3.94Å; L97-F242 HydrophobicContact CD1-CZ 4.47Å; I100-F242 HydrophobicContact CD1-CE2 4Å; I100-F242 HydrophobicContact CD1-CZ 3.9Å; I100-F242 HydrophobicContact CG1-CZ 4.42Å; F189-F242 HydrophobicContact CB-CE2 4.04Å; F189-F242 HydrophobicContact CB-CZ 3.7Å; F189-F242 HydrophobicContact CD1-CE1 4.23Å; F189-F242 HydrophobicContact CD1-CE2 4.4Å; F189-F242 AromaticContact CD1-CZ 3.84Å; F189-F242 HydrophobicContact CD1-CZ 3.84Å; F189-F242 AromaticContact CG-CZ 3.98Å; F189-F242 HydrophobicContact CG-CZ 3.98Å; P237-F242 HydrophobicContact CB-CE2 4.39Å; D238-F242 WeakPolarHBondContact O-CD2 3.46Å; L239-F242 CarbonylContact O-C 3.59Å; L239-F242 WeakPolarHBondContact O-CA 3.41Å; L239-F242 PolarHBondContact O-N 3.3Å; S240-F242 VanDerWaalsContact C-N 3.33Å; F242-M244 VanDerWaalsContact C-N 3.25Å; F242-M244 HydrophobicContact CB-CG 4.33Å; F242-M244 HydrophobicContact CB-SD 4.28Å; F242-M244 WeakPolarHBondContact O-CG 3.41Å; F242-M244 PolarHBondContact O-N 2.76Å
243	G	90.7	Very high	93.9	Very high	78 Å²	78	40.8 Å²	40.8	80%	0.804	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	17.1	-176.1	0	0	0	0	0	114.5	L239	L239-G243 PolarHBondContact O-N 2.85Å; L239-G243 VanDerWaalsContact O-N 3.15Å
244	M	92	Very high	93.7	Very high	28 Å²	28	40.4 Å²	40.4	14%	0.138	24%	0.24	C	C	.	.			trans	-115.1	152.3	-172.3	-61.3	175.1	83.4	0	0	112.1	V94 L97 L239 F242 D248 I251	V94-M244 HydrophobicContact CB-SD 4.11Å; V94-M244 HydrophobicContact CG2-CG 4.11Å; V94-M244 HydrophobicContact CG2-SD 3.6Å; L97-M244 HydrophobicContact CD2-CE 4.12Å; L97-M244 HydrophobicContact CD2-SD 3.43Å; L97-M244 WeakPolarHBondContact CD2-SD 3.41Å; L239-M244 CarbonylContact C-O 3.53Å; L239-M244 VanDerWaalsContact C-O 3.28Å; L239-M244 HydrophobicContact CB-CB 4.09Å; L239-M244 VanDerWaalsContact CB-O 3.24Å; L239-M244 WeakPolarHBondContact CB-O 3.14Å; L239-M244 HydrophobicContact CD2-CB 4.34Å; L239-M244 PolarHBondContact O-N 3.1Å; L239-M244 VanDerWaalsContact O-O 3.14Å; F242-M244 VanDerWaalsContact C-N 3.25Å; F242-M244 HydrophobicContact CB-CG 4.33Å; F242-M244 HydrophobicContact CB-SD 4.28Å; F242-M244 WeakPolarHBondContact O-CG 3.41Å; F242-M244 PolarHBondContact O-N 2.76Å; M244-D248 WeakPolarHBondContact CE-OD2 3.44Å; M244-I251 HydrophobicContact CE-CG2 4.05Å
245	T	91.8	Very high	93.6	Very high	126 Å²	126	37.5 Å²	37.5	77%	0.773	23%	0.227	S	C	*	.	S	Bend	trans	-99.1	-34	172.3	43.8	0	0	0	0	112.6	N130	N130-T245 PolarHBondContact ND2-O 3.03Å
246	E	93.5	Very high	93.4	Very high	124 Å²	124	38.6 Å²	38.6	58%	0.579	24%	0.235	S	C	*	.	S	Bend	trans	-145.8	169.7	-176.1	66.1	-162.8	159.2	0	0	112	N130 D248	N130-E246 VanDerWaalsContact OD1-CA 3.28Å; N130-E246 WeakPolarHBondContact OD1-CA 3.35Å; E246-D248 PolarHBondContact O-N 3.1Å
247	L	94	Very high	93.3	Very high	3 Å²	3	38 Å²	38	2%	0.016	23%	0.229	C	C	.	.			trans	-82.5	90.8	171.6	-65.2	177.6	0	0	0	110	L97 I125 Q127 N130 I132 L239 I251 V252	L97-L247 HydrophobicContact CD2-CD2 3.94Å; I125-L247 HydrophobicContact CG2-CD1 4.46Å; Q127-L247 HydrophobicContact CG-CB 4.33Å; Q127-L247 WeakPolarHBondContact CG-O 3.35Å; Q127-L247 PolarHBondContact NE2-O 3.16Å; N130-L247 HydrophobicContact CB-CG 4.43Å; N130-L247 PolarHBondContact OD1-N 3.29Å; I132-L247 HydrophobicContact CD1-CD1 4.17Å; I132-L247 HydrophobicContact CG1-CD1 4.09Å; L239-L247 HydrophobicContact CD2-CD2 3.94Å; L247-I251 HydrophobicContact CB-CG2 4.42Å; L247-I251 HydrophobicContact CD2-CG2 4.42Å; L247-V252 HydrophobicContact CB-CG2 3.99Å
248	D	92.5	Very high	93.2	Very high	57 Å²	57	37.9 Å²	37.9	31%	0.305	23%	0.228	S	C	.	.			trans	-61.4	167.3	179	68.6	56.9	0	0	0	114.4	M244 E246 D250 I251 V252	M244-D248 WeakPolarHBondContact CE-OD2 3.44Å; E246-D248 PolarHBondContact O-N 3.1Å; D248-D250 VanDerWaalsContact C-N 3.27Å; D248-D250 PolarHBondContact O-N 2.94Å; D248-D250 WeakPolarHBondContact OD1-CA 3.34Å; D248-D250 WeakPolarHBondContact OD1-CB 3.38Å; D248-D250 PolarHBondContact OD1-N 3.42Å; D248-I251 VanDerWaalsContact O-CG2 3.25Å; D248-I251 WeakPolarHBondContact O-CG2 3.4Å; D248-I251 PolarHBondContact OD1-N 3.12Å; D248-V252 WeakPolarHBondContact O-CB 3.35Å; D248-V252 VanDerWaalsContact O-CG2 3.26Å; D248-V252 WeakPolarHBondContact O-CG2 3.43Å; D248-V252 PolarHBondContact O-N 2.92Å
249	D	92.6	Very high	93.1	Very high	113 Å²	113	37.5 Å²	37.5	60%	0.604	23%	0.226	S	C	*	.	H	α-helix	trans	-69.4	-19.9	-176	-64.5	-32.8	0	0	0	113.9	Q127 A253	Q127-D249 PolarHBondContact NE2-OD1 3.34Å; D249-A253 WeakPolarHBondContact O-CB 3.31Å; D249-A253 PolarHBondContact O-N 3.22Å
250	D	93	Very high	93.1	Very high	33 Å²	33	37.8 Å²	37.8	18%	0.176	23%	0.227	C	C	.	.	H	α-helix	trans	-80.6	-45.7	178.1	-104.7	-9.2	0	0	0	110.7	R89 V91 T92 D248 V252 A253 L254	R89-D250 IonicContact CZ-OD1 2.72Å; R89-D250 VanDerWaalsContact CZ-OD1 3.31Å; R89-D250 IonicContact NE-OD1 3.77Å; R89-D250 PolarHBondContact NE-OD1 3.14Å; R89-D250 VanDerWaalsContact NE-OD1 3.12Å; R89-D250 IonicContact NH2-OD1 3.95Å; R89-D250 PolarHBondContact NH2-OD1 3.15Å; V91-D250 WeakPolarHBondContact CA-OD2 3.4Å; V91-D250 HydrophobicContact CG1-CB 3.72Å; T92-D250 PolarHBondContact N-OD2 3.36Å; T92-D250 WeakPolarHBondContact O-CB 3.49Å; D248-D250 VanDerWaalsContact C-N 3.27Å; D248-D250 PolarHBondContact O-N 2.94Å; D248-D250 WeakPolarHBondContact OD1-CA 3.34Å; D248-D250 WeakPolarHBondContact OD1-CB 3.38Å; D248-D250 PolarHBondContact OD1-N 3.42Å; D250-V252 VanDerWaalsContact C-N 3.33Å; D250-V252 PolarHBondContact O-N 3.46Å; D250-A253 PolarHBondContact O-N 3.34Å; D250-L254 WeakPolarHBondContact O-CG 3.2Å; D250-L254 PolarHBondContact O-N 3.37Å; D250-L254 VanDerWaalsContact O-N 3.11Å
251	I	93.4	Very high	93.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-38.4	172.3	-170.3	67	0	0	0	111.1	Y93 L97 Y98 M244 L247 D248 L254 M255	Y93-I251 HydrophobicContact CD2-CD1 4.41Å; L97-I251 HydrophobicContact CD2-CD1 4.5Å; L97-I251 HydrophobicContact CD2-CG1 3.97Å; L97-I251 HydrophobicContact CG-CD1 4.36Å; L97-I251 HydrophobicContact CG-CG1 4.2Å; Y98-I251 HydrophobicContact CD2-CD1 4.45Å; M244-I251 HydrophobicContact CE-CG2 4.05Å; L247-I251 HydrophobicContact CB-CG2 4.42Å; L247-I251 HydrophobicContact CD2-CG2 4.42Å; D248-I251 VanDerWaalsContact O-CG2 3.25Å; D248-I251 WeakPolarHBondContact O-CG2 3.4Å; D248-I251 PolarHBondContact OD1-N 3.12Å; I251-L254 PolarHBondContact O-N 3.45Å; I251-M255 HydrophobicContact CD1-CE 4.22Å; I251-M255 HydrophobicContact CG1-CE 3.83Å; I251-M255 WeakPolarHBondContact O-CG 3.47Å; I251-M255 PolarHBondContact O-N 2.94Å
252	V	94	Very high	93.2	Very high	18 Å²	18	31.2 Å²	31.2	11%	0.109	19%	0.188	C	C	.	.	H	α-helix	trans	-69.4	-36.3	176.8	172.1	0	0	0	0	111.8	I125 Q127 L247 D248 D250 L254 M255 S256	I125-V252 HydrophobicContact CG2-CG1 4.45Å; I125-V252 HydrophobicContact CG2-CG2 4.13Å; Q127-V252 HydrophobicContact CG-CG2 3.73Å; L247-V252 HydrophobicContact CB-CG2 3.99Å; D248-V252 WeakPolarHBondContact O-CB 3.35Å; D248-V252 VanDerWaalsContact O-CG2 3.26Å; D248-V252 WeakPolarHBondContact O-CG2 3.43Å; D248-V252 PolarHBondContact O-N 2.92Å; D250-V252 VanDerWaalsContact C-N 3.33Å; D250-V252 PolarHBondContact O-N 3.46Å; V252-L254 VanDerWaalsContact C-N 3.33Å; V252-L254 PolarHBondContact O-N 3.1Å; V252-M255 PolarHBondContact O-N 3.29Å; V252-S256 WeakPolarHBondContact O-CB 3.4Å; V252-S256 PolarHBondContact O-N 2.83Å; V252-S256 PolarHBondContact O-OG 2.7Å
253	A	92.8	Very high	93.2	Very high	15 Å²	15	31.3 Å²	31.3	12%	0.124	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-38.5	172	0	0	0	0	0	112.2	V78 D249 D250 R257	V78-A253 HydrophobicContact CB-CB 4.2Å; V78-A253 HydrophobicContact CG1-CB 3.86Å; D249-A253 WeakPolarHBondContact O-CB 3.31Å; D249-A253 PolarHBondContact O-N 3.22Å; D250-A253 PolarHBondContact O-N 3.34Å; A253-R257 WeakPolarHBondContact O-CB 3.32Å; A253-R257 PolarHBondContact O-N 3.19Å
254	L	92.5	Very high	93.3	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-69.2	-44.4	175.4	-68.8	175.2	0	0	0	113.2	L76 V78 V91 Y93 Y98 D250 I251 V252 S256 R257 R258	L76-L254 HydrophobicContact CB-CD2 4.17Å; L76-L254 HydrophobicContact CD1-CD1 4.02Å; L76-L254 HydrophobicContact CD1-CD2 3.61Å; L76-L254 HydrophobicContact CD1-CG 4.48Å; V78-L254 HydrophobicContact CG1-CD2 4.1Å; V91-L254 HydrophobicContact CG1-CD1 3.65Å; V91-L254 HydrophobicContact CG1-CD2 4.17Å; V91-L254 HydrophobicContact CG1-CG 3.78Å; Y93-L254 HydrophobicContact CD1-CD1 3.78Å; Y93-L254 HydrophobicContact CD2-CD1 3.44Å; Y93-L254 VanDerWaalsContact CD2-CD1 3.44Å; Y93-L254 HydrophobicContact CE1-CD1 4.35Å; Y93-L254 HydrophobicContact CE2-CD1 4.02Å; Y93-L254 HydrophobicContact CG-CD1 3.31Å; Y98-L254 HydrophobicContact CD2-CB 3.93Å; Y98-L254 HydrophobicContact CE2-CB 3.83Å; D250-L254 WeakPolarHBondContact O-CG 3.2Å; D250-L254 PolarHBondContact O-N 3.37Å; D250-L254 VanDerWaalsContact O-N 3.11Å; I251-L254 PolarHBondContact O-N 3.45Å; V252-L254 VanDerWaalsContact C-N 3.33Å; V252-L254 PolarHBondContact O-N 3.1Å; L254-S256 VanDerWaalsContact C-N 3.33Å; L254-R257 PolarHBondContact O-N 3.1Å; L254-R258 WeakPolarHBondContact O-CB 3.37Å; L254-R258 PolarHBondContact O-N 3.27Å
255	M	94.5	Very high	93.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.1	-39.8	175.8	-69.4	-175.4	178.6	0	0	111.2	L97 Y98 F101 I125 I132 I251 V252 R258 A259	L97-M255 HydrophobicContact CD1-CE 4.31Å; L97-M255 HydrophobicContact CG-CE 4.09Å; Y98-M255 HydrophobicContact CD2-CG 4.41Å; F101-M255 HydrophobicContact CB-CE 3.76Å; F101-M255 HydrophobicContact CB-CG 4.41Å; F101-M255 HydrophobicContact CB-SD 4.29Å; F101-M255 HydrophobicContact CD1-CB 4.27Å; F101-M255 HydrophobicContact CD1-CG 3.89Å; F101-M255 HydrophobicContact CD2-CB 4.39Å; F101-M255 HydrophobicContact CD2-CE 4.35Å; F101-M255 HydrophobicContact CD2-CG 4.03Å; F101-M255 HydrophobicContact CD2-SD 3.8Å; F101-M255 HydrophobicContact CE1-CB 3.99Å; F101-M255 HydrophobicContact CE1-CG 4.14Å; F101-M255 HydrophobicContact CE2-CB 4.1Å; F101-M255 HydrophobicContact CE2-CG 4.25Å; F101-M255 HydrophobicContact CE2-SD 4.26Å; F101-M255 HydrophobicContact CG-CB 4.48Å; F101-M255 HydrophobicContact CG-CE 4.13Å; F101-M255 HydrophobicContact CG-CG 3.85Å; F101-M255 HydrophobicContact CG-SD 4Å; F101-M255 HydrophobicContact CZ-CB 3.88Å; F101-M255 HydrophobicContact CZ-CG 4.3Å; I125-M255 HydrophobicContact CD1-CB 3.61Å; I132-M255 HydrophobicContact CD1-CE 3.81Å; I132-M255 HydrophobicContact CD1-SD 3.64Å; I251-M255 HydrophobicContact CD1-CE 4.22Å; I251-M255 HydrophobicContact CG1-CE 3.83Å; I251-M255 WeakPolarHBondContact O-CG 3.47Å; I251-M255 PolarHBondContact O-N 2.94Å; V252-M255 PolarHBondContact O-N 3.29Å; M255-R258 WeakPolarHBondContact O-CB 3.16Å; M255-R258 PolarHBondContact O-N 3.02Å; M255-A259 PolarHBondContact O-N 2.87Å
256	S	93.9	Very high	93.1	Very high	24 Å²	24	21.1 Å²	21.1	17%	0.168	11%	0.113	C	C	.	.	H	α-helix	trans	-63.3	-50.6	175.1	-63	0	0	0	0	111.5	V252 L254 R258 A259 Y260	V252-S256 WeakPolarHBondContact O-CB 3.4Å; V252-S256 PolarHBondContact O-N 2.83Å; V252-S256 PolarHBondContact O-OG 2.7Å; L254-S256 VanDerWaalsContact C-N 3.33Å; S256-R258 PolarHBondContact O-N 2.66Å; S256-A259 WeakPolarHBondContact O-CB 3.33Å; S256-A259 PolarHBondContact O-N 2.93Å; S256-Y260 WeakPolarHBondContact O-CD2 3.42Å; S256-Y260 PolarHBondContact O-N 3.37Å
257	R	93.4	Very high	92.7	Very high	18 Å²	18	17.6 Å²	17.6	7%	0.068	11%	0.11	C	C	.	.	H	α-helix	trans	-55.4	-39.7	173.2	-169	-150.5	78.8	-134.7	-5.7	111.4	W77 M86 Y98 A253 L254 A259 Y260 D261	W77-R257 WeakPolarHBondContact O-CD 3.47Å; W77-R257 PolarHBondContact O-NH1 2.83Å; W77-R257 VanDerWaalsContact O-NH1 3.08Å; M86-R257 HydrophobicContact CE-CG 3.83Å; M86-R257 HydrophobicContact SD-CG 3.85Å; Y98-R257 PolarHBondContact OH-NH2 3.42Å; A253-R257 WeakPolarHBondContact O-CB 3.32Å; A253-R257 PolarHBondContact O-N 3.19Å; L254-R257 PolarHBondContact O-N 3.1Å; R257-A259 PolarHBondContact O-N 3.37Å; R257-Y260 CarbonylContact O-C 3.56Å; R257-Y260 WeakPolarHBondContact O-CA 3.43Å; R257-Y260 VanDerWaalsContact O-CB 3.3Å; R257-Y260 WeakPolarHBondContact O-CB 3.41Å; R257-Y260 PolarHBondContact O-N 2.83Å; R257-D261 IonicContact CZ-OD2 3.21Å; R257-D261 IonicContact NE-OD1 3.31Å; R257-D261 PolarHBondContact NE-OD1 2.86Å; R257-D261 IonicContact NE-OD2 2.65Å; R257-D261 PolarHBondContact NE-OD2 3.02Å; R257-D261 IonicContact NH2-OD2 2.86Å; R257-D261 PolarHBondContact NH2-OD2 3.42Å; R257-D261 VanDerWaalsContact O-CG 3.28Å; R257-D261 PolarHBondContact O-N 3.44Å
258	R	94.1	Very high	92.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.1	-27.1	179	-171.3	58.2	173.6	129.7	1.1	113.2	Y98 F101 D102 I105 V106 L254 M255 S256 D261 I262 S332	Y98-R258 HydrophobicContact CE2-CB 4.22Å; F101-R258 HydrophobicContact CE1-CB 3.93Å; F101-R258 HydrophobicContact CE1-CG 3.93Å; D102-R258 IonicContact OD1-CZ 3.3Å; D102-R258 IonicContact OD1-NE 2.69Å; D102-R258 PolarHBondContact OD1-NE 2.88Å; D102-R258 IonicContact OD1-NH2 3.49Å; D102-R258 PolarHBondContact OD1-NH2 3.31Å; I105-R258 HydrophobicContact CG2-CG 4.07Å; V106-R258 VanDerWaalsContact CG2-NH2 3.25Å; L254-R258 WeakPolarHBondContact O-CB 3.37Å; L254-R258 PolarHBondContact O-N 3.27Å; M255-R258 WeakPolarHBondContact O-CB 3.16Å; M255-R258 PolarHBondContact O-N 3.02Å; S256-R258 PolarHBondContact O-N 2.66Å; R258-D261 WeakPolarHBondContact CA-OD2 3.29Å; R258-D261 WeakPolarHBondContact CD-OD2 3.4Å; R258-D261 WeakPolarHBondContact O-CB 3.07Å; R258-D261 PolarHBondContact O-N 2.8Å; R258-I262 WeakPolarHBondContact O-CG1 3.3Å; R258-I262 PolarHBondContact O-N 2.7Å; R258-I262 VanDerWaalsContact O-N 3.13Å; R258-S332 PolarHBondContact NH1-O 3.37Å; R258-S332 PolarHBondContact NH2-O 3.25Å
259	A	94.1	Very high	92.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-69.5	-36.9	168.1	0	0	0	0	0	112.5	V123 M255 S256 R257 I262 A263 V271 L273 L278	V123-A259 HydrophobicContact CG2-CB 4.32Å; M255-A259 PolarHBondContact O-N 2.87Å; S256-A259 WeakPolarHBondContact O-CB 3.33Å; S256-A259 PolarHBondContact O-N 2.93Å; R257-A259 PolarHBondContact O-N 3.37Å; A259-I262 PolarHBondContact O-N 2.92Å; A259-A263 PolarHBondContact O-N 2.96Å; A259-V271 HydrophobicContact CB-CG1 4.2Å; A259-L273 HydrophobicContact CB-CD1 4.2Å; A259-L278 HydrophobicContact CB-CD1 4.14Å
260	Y	94.2	Very high	92.2	Very high	13 Å²	13	18.2 Å²	18.2	5%	0.051	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-40.7	170.6	-75.8	-116	0	0	0	111.4	Y79 S256 R257 I262 A263 G264 L273 L278 I280 Y286 L289	Y79-Y260 AromaticContact CD1-CE1 3.97Å; Y79-Y260 HydrophobicContact CD1-CE1 3.97Å; Y79-Y260 HydrophobicContact CD1-CE2 4Å; Y79-Y260 AromaticContact CD1-CZ 3.57Å; Y79-Y260 AromaticContact CD2-CD1 3.72Å; Y79-Y260 HydrophobicContact CD2-CD1 3.72Å; Y79-Y260 AromaticContact CD2-CE1 3.47Å; Y79-Y260 HydrophobicContact CD2-CE1 3.47Å; Y79-Y260 VanDerWaalsContact CD2-CE1 3.47Å; Y79-Y260 HydrophobicContact CD2-CG 4.46Å; Y79-Y260 AromaticContact CD2-CZ 3.98Å; Y79-Y260 AromaticContact CE1-CE1 3.85Å; Y79-Y260 HydrophobicContact CE1-CE1 3.85Å; Y79-Y260 HydrophobicContact CE1-CE2 4.36Å; Y79-Y260 AromaticContact CE1-CZ 3.51Å; Y79-Y260 WeakPolarHBondContact CE1-OH 3.5Å; Y79-Y260 AromaticContact CE2-CD1 3.96Å; Y79-Y260 HydrophobicContact CE2-CD1 3.96Å; Y79-Y260 AromaticContact CE2-CE1 3.33Å; Y79-Y260 HydrophobicContact CE2-CE1 3.33Å; Y79-Y260 AromaticContact CE2-CZ 3.93Å; Y79-Y260 HydrophobicContact CG-CD1 4.1Å; Y79-Y260 HydrophobicContact CG-CD2 4.48Å; Y79-Y260 AromaticContact CG-CE1 3.77Å; Y79-Y260 HydrophobicContact CG-CE1 3.77Å; Y79-Y260 HydrophobicContact CG-CE2 4.13Å; Y79-Y260 HydrophobicContact CG-CG 4.48Å; Y79-Y260 AromaticContact CG-CZ 3.79Å; Y79-Y260 AromaticContact CZ-CE1 3.51Å; Y79-Y260 AromaticContact CZ-CZ 3.68Å; S256-Y260 WeakPolarHBondContact O-CD2 3.42Å; S256-Y260 PolarHBondContact O-N 3.37Å; R257-Y260 CarbonylContact O-C 3.56Å; R257-Y260 WeakPolarHBondContact O-CA 3.43Å; R257-Y260 VanDerWaalsContact O-CB 3.3Å; R257-Y260 WeakPolarHBondContact O-CB 3.41Å; R257-Y260 PolarHBondContact O-N 2.83Å; Y260-I262 VanDerWaalsContact C-N 3.34Å; Y260-I262 PolarHBondContact O-N 3.38Å; Y260-A263 WeakPolarHBondContact O-CB 3.37Å; Y260-A263 PolarHBondContact O-N 3.05Å; Y260-A263 VanDerWaalsContact O-N 3.14Å; Y260-G264 PolarHBondContact O-N 2.84Å; Y260-L273 HydrophobicContact CE2-CD2 4.17Å; Y260-L278 HydrophobicContact CD2-CD1 3.65Å; Y260-L278 HydrophobicContact CD2-CD2 4.1Å; Y260-L278 HydrophobicContact CE1-CD2 4.36Å; Y260-L278 HydrophobicContact CE2-CD1 3.97Å; Y260-L278 HydrophobicContact CE2-CD2 3.51Å; Y260-L278 HydrophobicContact CE2-CG 4.37Å; Y260-L278 HydrophobicContact CG-CD1 3.99Å; Y260-I280 HydrophobicContact CD1-CD1 3.59Å; Y260-I280 HydrophobicContact CE1-CD1 4.47Å; Y260-I280 HydrophobicContact CG-CD1 4.09Å; Y260-Y286 WeakPolarHBondContact O-CD2 3.11Å; Y260-L289 HydrophobicContact CD1-CD1 3.93Å; Y260-L289 HydrophobicContact CE1-CD1 4.45Å
261	D	93.9	Very high	92.3	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-56.1	-47.8	175	-58.8	-19	0	0	0	110.5	R257 R258 A263 G264 T265 Y286 F329	R257-D261 IonicContact CZ-OD2 3.21Å; R257-D261 IonicContact NE-OD1 3.31Å; R257-D261 PolarHBondContact NE-OD1 2.86Å; R257-D261 IonicContact NE-OD2 2.65Å; R257-D261 PolarHBondContact NE-OD2 3.02Å; R257-D261 IonicContact NH2-OD2 2.86Å; R257-D261 PolarHBondContact NH2-OD2 3.42Å; R257-D261 VanDerWaalsContact O-CG 3.28Å; R257-D261 PolarHBondContact O-N 3.44Å; R258-D261 WeakPolarHBondContact CA-OD2 3.29Å; R258-D261 WeakPolarHBondContact CD-OD2 3.4Å; R258-D261 WeakPolarHBondContact O-CB 3.07Å; R258-D261 PolarHBondContact O-N 2.8Å; D261-A263 PolarHBondContact O-N 2.91Å; D261-G264 PolarHBondContact O-N 3.31Å; D261-T265 WeakPolarHBondContact O-CG2 3.5Å; D261-T265 PolarHBondContact O-N 3.35Å; D261-T265 PolarHBondContact O-OG1 3.08Å; D261-Y286 HydrophobicContact CB-CE2 4.41Å; D261-Y286 WeakPolarHBondContact OD1-CE2 3.44Å; D261-Y286 PolarHBondContact OD1-OH 3.37Å; D261-F329 HydrophobicContact CB-CE1 3.87Å; D261-F329 HydrophobicContact CB-CZ 3.94Å
262	I	93.8	Very high	92.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.6	-36	176.5	-66.6	-58.1	0	0	0	112.3	I105 A109 I121 R258 A259 Y260 G264 T265 C266 V271	I105-I262 HydrophobicContact CD1-CB 4.47Å; I105-I262 HydrophobicContact CD1-CG1 3.86Å; I105-I262 HydrophobicContact CG1-CG1 4.09Å; I105-I262 HydrophobicContact CG2-CG1 4.39Å; A109-I262 HydrophobicContact CB-CD1 4.01Å; I121-I262 HydrophobicContact CD1-CG2 4.01Å; R258-I262 WeakPolarHBondContact O-CG1 3.3Å; R258-I262 PolarHBondContact O-N 2.7Å; R258-I262 VanDerWaalsContact O-N 3.13Å; A259-I262 PolarHBondContact O-N 2.92Å; Y260-I262 VanDerWaalsContact C-N 3.34Å; Y260-I262 PolarHBondContact O-N 3.38Å; I262-G264 VanDerWaalsContact C-N 3.28Å; I262-G264 PolarHBondContact O-N 2.85Å; I262-T265 PolarHBondContact O-N 3Å; I262-C266 HydrophobicContact CG2-CB 4.36Å; I262-C266 VanDerWaalsContact O-CB 3.24Å; I262-C266 WeakPolarHBondContact O-CB 3.43Å; I262-C266 PolarHBondContact O-N 3.28Å; I262-V271 HydrophobicContact CG2-CG2 4.07Å
263	A	93.4	Very high	92.5	Very high	5 Å²	5	19.2 Å²	19.2	4%	0.041	12%	0.122	C	C	.	.	H	α-helix	trans	-67	-29.7	174.9	0	0	0	0	0	112.8	A259 Y260 D261 V271 L278 I280	A259-A263 PolarHBondContact O-N 2.96Å; Y260-A263 WeakPolarHBondContact O-CB 3.37Å; Y260-A263 PolarHBondContact O-N 3.05Å; Y260-A263 VanDerWaalsContact O-N 3.14Å; D261-A263 PolarHBondContact O-N 2.91Å; A263-V271 HydrophobicContact CB-CB 3.88Å; A263-V271 HydrophobicContact CB-CG2 3.71Å; A263-L278 HydrophobicContact CB-CB 4.35Å; A263-L278 HydrophobicContact CB-CD1 4.15Å; A263-I280 HydrophobicContact CB-CB 3.97Å; A263-I280 HydrophobicContact CB-CD1 3.89Å; A263-I280 HydrophobicContact CB-CG2 4.29Å; A263-I280 WeakPolarHBondContact O-CG2 3.49Å
264	G	92	Very high	92.6	Very high	1 Å²	1	23 Å²	23	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-74.5	-44	173.2	0	0	0	0	0	113.4	Y260 D261 I262 G282 F283	Y260-G264 PolarHBondContact O-N 2.84Å; D261-G264 PolarHBondContact O-N 3.31Å; I262-G264 VanDerWaalsContact C-N 3.28Å; I262-G264 PolarHBondContact O-N 2.85Å; G264-G282 CarbonylContact O-C 3.59Å; G264-F283 VanDerWaalsContact O-CA 3.32Å; G264-F283 WeakPolarHBondContact O-CA 3.43Å; G264-F283 PolarHBondContact O-N 2.99Å; G264-F283 VanDerWaalsContact O-N 3.08Å
265	T	92.1	Very high	92.6	Very high	9 Å²	9	25.5 Å²	25.5	6%	0.055	17%	0.166	C	C	.	.	H	α-helix	trans	-89.9	-30.3	-170.7	63.1	0	0	0	0	114.7	D261 I262 G267 F329 S332 N382	D261-T265 WeakPolarHBondContact O-CG2 3.5Å; D261-T265 PolarHBondContact O-N 3.35Å; D261-T265 PolarHBondContact O-OG1 3.08Å; I262-T265 PolarHBondContact O-N 3Å; T265-G267 PolarHBondContact O-N 3.28Å; T265-F329 HydrophobicContact CG2-CB 3.74Å; T265-F329 HydrophobicContact CG2-CD1 3.78Å; T265-F329 HydrophobicContact CG2-CD2 3.49Å; T265-F329 VanDerWaalsContact CG2-CD2 3.49Å; T265-F329 HydrophobicContact CG2-CE1 4.27Å; T265-F329 HydrophobicContact CG2-CE2 4Å; T265-F329 HydrophobicContact CG2-CG 3.37Å; T265-F329 HydrophobicContact CG2-CZ 4.37Å; T265-S332 PolarHBondContact OG1-OG 3.41Å; T265-S332 VanDerWaalsContact OG1-OG 3.1Å; T265-N382 PolarHBondContact O-ND2 3.15Å
266	C	88.2	Confident	92.5	Very high	7 Å²	7	30.6 Å²	30.6	5%	0.047	19%	0.189	C	C	.	.	S	Bend	trans	-89.7	79.1	-176.1	-67.7	0	0	0	0	112	I262 G268 V269 S332	I262-C266 HydrophobicContact CG2-CB 4.36Å; I262-C266 VanDerWaalsContact O-CB 3.24Å; I262-C266 WeakPolarHBondContact O-CB 3.43Å; I262-C266 PolarHBondContact O-N 3.28Å; C266-G268 PolarHBondContact O-N 3.09Å; C266-V269 HydrophobicContact CB-CB 4.08Å; C266-V269 HydrophobicContact CB-CG2 3.97Å; C266-V269 WeakPolarHBondContact O-CB 3.4Å; C266-V269 PolarHBondContact O-N 2.8Å; C266-S332 PolarHBondContact SG-OG 3.17Å
267	G	83.4	Confident	92.5	Very high	51 Å²	51	35.6 Å²	35.6	53%	0.526	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46	123.6	180	0	0	0	0	0	114.3	K112 T265	K112-G267 VanDerWaalsContact CE-O 3.29Å; K112-G267 WeakPolarHBondContact CE-O 3.36Å; T265-G267 PolarHBondContact O-N 3.28Å
268	G	85.2	Confident	92.4	Very high	65 Å²	65	35 Å²	35	67%	0.67	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	11.2	179	0	0	0	0	0	115.7	C266	C266-G268 PolarHBondContact O-N 3.09Å
269	V	91.1	Very high	92.2	Very high	10 Å²	10	42.6 Å²	42.6	6%	0.061	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-102.8	128.5	173.4	-177.2	0	0	0	0	110.2	K112 M118 I121 C266 V271	K112-V269 HydrophobicContact CB-CG2 4.41Å; K112-V269 HydrophobicContact CD-CG2 3.74Å; K112-V269 HydrophobicContact CG-CG2 3.95Å; M118-V269 HydrophobicContact CE-CG1 4.16Å; M118-V269 HydrophobicContact CE-CG2 3.82Å; I121-V269 HydrophobicContact CB-CG1 4.27Å; I121-V269 HydrophobicContact CD1-CG1 3.99Å; I121-V269 HydrophobicContact CG1-CG1 3.81Å; C266-V269 HydrophobicContact CB-CB 4.08Å; C266-V269 HydrophobicContact CB-CG2 3.97Å; C266-V269 WeakPolarHBondContact O-CB 3.4Å; C266-V269 PolarHBondContact O-N 2.8Å; V269-V271 HydrophobicContact CG1-CG2 4.49Å
270	R	93.4	Very high	91.9	Very high	110 Å²	110	43.4 Å²	43.4	42%	0.415	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	121.3	170.1	-63.9	171.2	-69.3	179.5	-1	108.8	N119 C120 I121 Y272	N119-R270 WeakPolarHBondContact O-CB 3.19Å; N119-R270 PolarHBondContact O-N 3.22Å; N119-R270 PolarHBondContact O-NE 3.24Å; N119-R270 PolarHBondContact OD1-NH2 2.87Å; C120-R270 WeakPolarHBondContact CA-O 3.5Å; I121-R270 PolarHBondContact N-O 2.94Å; R270-Y272 HydrophobicContact CB-CE2 4.02Å
271	V	95.1	Very high	91.4	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.8	174.8	-174.8	0	0	0	0	110.1	I121 A259 I262 A263 V269 L278	I121-V271 CarbonylContact O-C 3.58Å; I121-V271 WeakPolarHBondContact O-CA 3.2Å; A259-V271 HydrophobicContact CB-CG1 4.2Å; I262-V271 HydrophobicContact CG2-CG2 4.07Å; A263-V271 HydrophobicContact CB-CB 3.88Å; A263-V271 HydrophobicContact CB-CG2 3.71Å; V269-V271 HydrophobicContact CG1-CG2 4.49Å; V271-L278 HydrophobicContact CB-CD1 4.13Å; V271-L278 HydrophobicContact CB-CG 4.43Å; V271-L278 HydrophobicContact CG1-CD1 3.86Å; V271-L278 HydrophobicContact CG1-CG 4.4Å; V271-L278 PolarHBondContact O-N 2.83Å
272	Y	96.3	Very high	91.2	Very high	58 Å²	58	49.9 Å²	49.9	23%	0.227	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.6	171.6	-64.2	-106.8	0	0	0	108.9	I121 K122 V123 R270 G275 K276 R277	I121-Y272 PolarHBondContact O-N 2.98Å; K122-Y272 WeakPolarHBondContact CA-O 3.07Å; K122-Y272 HydrophobicContact CG-CD2 4.31Å; K122-Y272 HydrophobicContact CG-CG 4.44Å; V123-Y272 PolarHBondContact N-O 2.82Å; R270-Y272 HydrophobicContact CB-CE2 4.02Å; Y272-G275 WeakPolarHBondContact CD1-O 3.45Å; Y272-K276 CarbonylContact C-O 3.57Å; Y272-K276 WeakPolarHBondContact CA-O 3.49Å; Y272-R277 HydrophobicContact CD1-CB 3.86Å; Y272-R277 HydrophobicContact CE1-CB 3.66Å; Y272-R277 HydrophobicContact CE1-CG 4.19Å
273	L	95.3	Very high	91.1	Very high	12 Å²	12	50 Å²	50	6%	0.063	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	119.5	174	178.5	65.8	0	0	0	108	V123 I125 A259 Y260 G275 K276 L278	V123-L273 HydrophobicContact CB-CD1 4.24Å; V123-L273 HydrophobicContact CG1-CD1 4.14Å; V123-L273 CarbonylContact O-C 3.57Å; V123-L273 VanDerWaalsContact O-CA 3.3Å; V123-L273 WeakPolarHBondContact O-CA 3.47Å; I125-L273 HydrophobicContact CD1-CD1 4.07Å; A259-L273 HydrophobicContact CB-CD1 4.2Å; Y260-L273 HydrophobicContact CE2-CD2 4.17Å; L273-G275 PolarHBondContact O-N 2.61Å; L273-K276 PolarHBondContact N-O 2.9Å; L273-K276 WeakPolarHBondContact O-CA 3.15Å; L273-K276 VanDerWaalsContact O-CB 3.23Å; L273-K276 WeakPolarHBondContact O-CB 3.39Å; L273-K276 PolarHBondContact O-N 3.09Å; L273-L278 HydrophobicContact CB-CD2 3.94Å; L273-L278 HydrophobicContact CB-CG 4.48Å
274	N	94.4	Very high	91	Very high	95 Å²	95	54.3 Å²	54.3	51%	0.508	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	44.2	-175.1	-69.1	-6.3	0	0	0	112.8	V123 D124 I125 K276	V123-N274 PolarHBondContact O-N 3.46Å; D124-N274 WeakPolarHBondContact CA-OD1 3.43Å; I125-N274 PolarHBondContact N-OD1 2.8Å; I125-N274 PolarHBondContact O-ND2 3.33Å; I125-N274 PolarHBondContact O-OD1 2.91Å; N274-K276 PolarHBondContact O-N 2.84Å; N274-K276 VanDerWaalsContact O-N 3.11Å
275	G	92.2	Very high	90.9	Very high	55 Å²	55	55.6 Å²	55.6	57%	0.567	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	-16.6	-174.6	0	0	0	0	0	116.6	Y272 L273 R277	Y272-G275 WeakPolarHBondContact CD1-O 3.45Å; L273-G275 PolarHBondContact O-N 2.61Å; G275-R277 PolarHBondContact O-N 3.38Å
276	K	92.6	Very high	91	Very high	107 Å²	107	55.2 Å²	55.2	47%	0.465	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	119.4	176.1	-169.9	-180	-177.9	-178.1	0	109.7	E81 Y272 L273 N274 L278	E81-K276 IonicContact OE1-NZ 3.82Å; E81-K276 PolarHBondContact OE1-NZ 2.79Å; E81-K276 IonicContact OE2-NZ 2.67Å; E81-K276 PolarHBondContact OE2-NZ 2.69Å; Y272-K276 CarbonylContact C-O 3.57Å; Y272-K276 WeakPolarHBondContact CA-O 3.49Å; L273-K276 PolarHBondContact N-O 2.9Å; L273-K276 WeakPolarHBondContact O-CA 3.15Å; L273-K276 VanDerWaalsContact O-CB 3.23Å; L273-K276 WeakPolarHBondContact O-CB 3.39Å; L273-K276 PolarHBondContact O-N 3.09Å; N274-K276 PolarHBondContact O-N 2.84Å; N274-K276 VanDerWaalsContact O-N 3.11Å; K276-L278 PolarHBondContact O-N 2.94Å
277	R	93	Very high	91.2	Very high	129 Å²	129	54.9 Å²	54.9	49%	0.487	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	127.8	175.5	-178.6	-178.8	164.8	-169.2	-5.4	110	Y272 G275	Y272-R277 HydrophobicContact CD1-CB 3.86Å; Y272-R277 HydrophobicContact CE1-CB 3.66Å; Y272-R277 HydrophobicContact CE1-CG 4.19Å; G275-R277 PolarHBondContact O-N 3.38Å
278	L	92.5	Very high	91.5	Very high	5 Å²	5	56 Å²	56	3%	0.026	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-73.4	131.3	174.2	-53.7	-170.1	0	0	0	110.2	A259 Y260 A263 V271 L273 K276 I280	A259-L278 HydrophobicContact CB-CD1 4.14Å; Y260-L278 HydrophobicContact CD2-CD1 3.65Å; Y260-L278 HydrophobicContact CD2-CD2 4.1Å; Y260-L278 HydrophobicContact CE1-CD2 4.36Å; Y260-L278 HydrophobicContact CE2-CD1 3.97Å; Y260-L278 HydrophobicContact CE2-CD2 3.51Å; Y260-L278 HydrophobicContact CE2-CG 4.37Å; Y260-L278 HydrophobicContact CG-CD1 3.99Å; A263-L278 HydrophobicContact CB-CB 4.35Å; A263-L278 HydrophobicContact CB-CD1 4.15Å; V271-L278 HydrophobicContact CB-CD1 4.13Å; V271-L278 HydrophobicContact CB-CG 4.43Å; V271-L278 HydrophobicContact CG1-CD1 3.86Å; V271-L278 HydrophobicContact CG1-CG 4.4Å; V271-L278 PolarHBondContact O-N 2.83Å; L273-L278 HydrophobicContact CB-CD2 3.94Å; L273-L278 HydrophobicContact CB-CG 4.48Å; K276-L278 PolarHBondContact O-N 2.94Å; L278-I280 PolarHBondContact O-N 3.44Å; L278-I280 VanDerWaalsContact O-N 3.14Å
279	K	89.1	Confident	91.8	Very high	160 Å²	160	54.3 Å²	54.3	70%	0.696	27%	0.268	S	S	*	.			trans	-81.4	23.3	-174.6	-59.9	175.5	-170.5	157.9	0	113.8	E84	E84-K279 IonicContact OE1-NZ 3.99Å; E84-K279 PolarHBondContact OE1-NZ 3Å
280	I	89	Confident	91.8	Very high	17 Å²	17	54 Å²	54	9%	0.087	27%	0.266	C	S	.	.			trans	-90.5	134.4	-178.9	-64.5	163.2	0	0	0	110	Y260 A263 L278 Y286 L289	Y260-I280 HydrophobicContact CD1-CD1 3.59Å; Y260-I280 HydrophobicContact CE1-CD1 4.47Å; Y260-I280 HydrophobicContact CG-CD1 4.09Å; A263-I280 HydrophobicContact CB-CB 3.97Å; A263-I280 HydrophobicContact CB-CD1 3.89Å; A263-I280 HydrophobicContact CB-CG2 4.29Å; A263-I280 WeakPolarHBondContact O-CG2 3.49Å; L278-I280 PolarHBondContact O-N 3.44Å; L278-I280 VanDerWaalsContact O-N 3.14Å; I280-Y286 HydrophobicContact CD1-CD2 4.19Å; I280-L289 HydrophobicContact CD1-CD1 3.98Å; I280-L289 HydrophobicContact CG1-CD1 4.2Å
281	N	84	Confident	91.4	Very high	133 Å²	133	49.5 Å²	49.5	71%	0.711	25%	0.25	S	S	*	.			trans	-119.7	45.8	180	-65.5	-42	0	0	0	111.2	S285	N281-S285 PolarHBondContact N-OG 2.93Å
282	G	88.2	Confident	90.6	Very high	17 Å²	17	52.8 Å²	52.8	18%	0.175	27%	0.265	C	S	.	.	S	Bend	trans	95.4	178	-178.7	0	0	0	0	0	114.9	G264 K284 S285 Y286	G264-G282 CarbonylContact O-C 3.59Å; G282-K284 PolarHBondContact O-N 2.67Å; G282-S285 PolarHBondContact O-N 2.9Å; G282-S285 PolarHBondContact O-OG 3.23Å; G282-Y286 PolarHBondContact O-N 3.17Å
283	F	92.5	Very high	89.4	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.009	28%	0.282	C	S	.	.	H	α-helix	trans	-60	-39.2	-157.2	-164.3	-125.2	0	0	0	114.3	G264 S285 Y286 I287 Y306 E314 F329 F380 L381 N382	G264-F283 VanDerWaalsContact O-CA 3.32Å; G264-F283 WeakPolarHBondContact O-CA 3.43Å; G264-F283 PolarHBondContact O-N 2.99Å; G264-F283 VanDerWaalsContact O-N 3.08Å; F283-S285 VanDerWaalsContact C-N 3.35Å; F283-S285 PolarHBondContact O-N 3.2Å; F283-Y286 AromaticContact CD2-CD1 3.95Å; F283-Y286 HydrophobicContact CD2-CD1 3.95Å; F283-Y286 AromaticContact CE2-CD1 3.85Å; F283-Y286 HydrophobicContact CE2-CD1 3.85Å; F283-Y286 HydrophobicContact CE2-CE1 4.07Å; F283-Y286 WeakPolarHBondContact O-CB 3.45Å; F283-Y286 PolarHBondContact O-N 2.89Å; F283-Y286 VanDerWaalsContact O-N 3.1Å; F283-I287 HydrophobicContact CD1-CD1 3.6Å; F283-I287 HydrophobicContact CD1-CG1 4.33Å; F283-I287 HydrophobicContact CE1-CD1 3.69Å; F283-I287 HydrophobicContact CE1-CG1 4.22Å; F283-I287 HydrophobicContact CG-CD1 4.19Å; F283-I287 HydrophobicContact CZ-CD1 4.33Å; F283-I287 HydrophobicContact CZ-CG1 4.38Å; F283-I287 WeakPolarHBondContact O-CD1 3.38Å; F283-I287 VanDerWaalsContact O-CG1 3.31Å; F283-I287 WeakPolarHBondContact O-CG1 3.19Å; F283-I287 PolarHBondContact O-N 2.88Å; F283-Y306 HydrophobicContact CD1-CE2 4.45Å; F283-E314 WeakPolarHBondContact CB-OE1 3.47Å; F283-E314 HydrophobicContact CD1-CB 3.8Å; F283-E314 HydrophobicContact CE1-CB 4.47Å; F283-F329 AromaticContact CE2-CD2 3.88Å; F283-F329 HydrophobicContact CE2-CD2 3.88Å; F283-F329 HydrophobicContact CE2-CE2 4.05Å; F283-F329 HydrophobicContact CZ-CD2 4.37Å; F283-F380 HydrophobicContact CE1-CB 4.04Å; F283-F380 HydrophobicContact CZ-CB 3.99Å; F283-L381 VanDerWaalsContact CZ-C 3.42Å; F283-N382 HydrophobicContact CD1-CB 3.85Å; F283-N382 HydrophobicContact CD2-CB 3.92Å; F283-N382 HydrophobicContact CE1-CB 3.87Å; F283-N382 HydrophobicContact CE2-CB 3.96Å; F283-N382 HydrophobicContact CG-CB 3.89Å; F283-N382 HydrophobicContact CZ-CB 3.93Å
284	K	91.4	Very high	88.4	Confident	95 Å²	95	58.2 Å²	58.2	41%	0.413	29%	0.292	S	S	.	.	H	α-helix	trans	-55.8	-45.8	175.4	-175.1	175.2	179	-69.7	0	112.8	G282 Y286 I287 E288 Y306	G282-K284 PolarHBondContact O-N 2.67Å; K284-Y286 VanDerWaalsContact C-N 3.28Å; K284-Y286 PolarHBondContact O-N 2.65Å; K284-I287 PolarHBondContact O-N 3.14Å; K284-E288 IonicContact NZ-OE1 3.26Å; K284-E288 PolarHBondContact NZ-OE1 3.46Å; K284-E288 WeakPolarHBondContact O-CG 3.38Å; K284-E288 PolarHBondContact O-N 3.37Å; K284-E288 VanDerWaalsContact O-N 3.11Å; K284-Y306 HydrophobicContact CB-CD1 4.47Å; K284-Y306 HydrophobicContact CB-CD2 3.9Å; K284-Y306 HydrophobicContact CB-CE1 4.44Å; K284-Y306 HydrophobicContact CB-CE2 3.85Å; K284-Y306 HydrophobicContact CB-CG 4.22Å; K284-Y306 HydrophobicContact CD-CD1 4.03Å; K284-Y306 HydrophobicContact CD-CE1 4.48Å; K284-Y306 HydrophobicContact CD-CG 4.14Å; K284-Y306 HydrophobicContact CG-CD1 4.48Å; K284-Y306 HydrophobicContact CG-CD2 4.25Å; K284-Y306 HydrophobicContact CG-CG 4.17Å
285	S	90.9	Very high	87.1	Confident	29 Å²	29	58 Å²	58	20%	0.203	29%	0.291	C	S	.	.	H	α-helix	trans	-73.1	-20	179.2	62.2	0	0	0	0	113.8	N281 G282 F283 E288	N281-S285 PolarHBondContact N-OG 2.93Å; G282-S285 PolarHBondContact O-N 2.9Å; G282-S285 PolarHBondContact O-OG 3.23Å; F283-S285 VanDerWaalsContact C-N 3.35Å; F283-S285 PolarHBondContact O-N 3.2Å; S285-E288 WeakPolarHBondContact CA-OE2 3.46Å
286	Y	93	Very high	85.6	Confident	1 Å²	1	56.8 Å²	56.8	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-76.5	-40.9	169.7	167.6	-92.3	0	0	0	111.5	M86 Y260 D261 I280 G282 F283 K284 E288 L289 Y290 V327 F329	M86-Y286 HydrophobicContact CE-CD2 4.42Å; M86-Y286 HydrophobicContact CE-CE2 3.82Å; Y260-Y286 WeakPolarHBondContact O-CD2 3.11Å; D261-Y286 HydrophobicContact CB-CE2 4.41Å; D261-Y286 WeakPolarHBondContact OD1-CE2 3.44Å; D261-Y286 PolarHBondContact OD1-OH 3.37Å; I280-Y286 HydrophobicContact CD1-CD2 4.19Å; G282-Y286 PolarHBondContact O-N 3.17Å; F283-Y286 AromaticContact CD2-CD1 3.95Å; F283-Y286 HydrophobicContact CD2-CD1 3.95Å; F283-Y286 AromaticContact CE2-CD1 3.85Å; F283-Y286 HydrophobicContact CE2-CD1 3.85Å; F283-Y286 HydrophobicContact CE2-CE1 4.07Å; F283-Y286 WeakPolarHBondContact O-CB 3.45Å; F283-Y286 PolarHBondContact O-N 2.89Å; F283-Y286 VanDerWaalsContact O-N 3.1Å; K284-Y286 VanDerWaalsContact C-N 3.28Å; K284-Y286 PolarHBondContact O-N 2.65Å; Y286-E288 VanDerWaalsContact C-N 3.29Å; Y286-E288 PolarHBondContact O-N 2.86Å; Y286-L289 WeakPolarHBondContact O-CB 3.44Å; Y286-L289 PolarHBondContact O-N 3.37Å; Y286-Y290 HydrophobicContact CD1-CE2 4.24Å; Y286-Y290 AromaticContact CE1-CE2 3.68Å; Y286-Y290 HydrophobicContact CE1-CE2 3.68Å; Y286-Y290 HydrophobicContact CE2-CE2 4.26Å; Y286-Y290 AromaticContact CZ-CE2 3.7Å; Y286-Y290 WeakPolarHBondContact O-CD2 3.45Å; Y286-Y290 PolarHBondContact OH-OH 3.14Å; Y286-V327 HydrophobicContact CE1-CG1 4.36Å; Y286-F329 AromaticContact CE1-CE2 3.87Å; Y286-F329 HydrophobicContact CE1-CE2 3.87Å; Y286-F329 HydrophobicContact CE1-CZ 4.3Å; Y286-F329 WeakPolarHBondContact OH-CZ 3.35Å
287	I	92.4	Very high	83.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.6	-39.3	174.3	-64	156	0	0	0	111.1	F283 K284 L289 Y290 I304 Y306 A316 F380	F283-I287 HydrophobicContact CD1-CD1 3.6Å; F283-I287 HydrophobicContact CD1-CG1 4.33Å; F283-I287 HydrophobicContact CE1-CD1 3.69Å; F283-I287 HydrophobicContact CE1-CG1 4.22Å; F283-I287 HydrophobicContact CG-CD1 4.19Å; F283-I287 HydrophobicContact CZ-CD1 4.33Å; F283-I287 HydrophobicContact CZ-CG1 4.38Å; F283-I287 WeakPolarHBondContact O-CD1 3.38Å; F283-I287 VanDerWaalsContact O-CG1 3.31Å; F283-I287 WeakPolarHBondContact O-CG1 3.19Å; F283-I287 PolarHBondContact O-N 2.88Å; K284-I287 PolarHBondContact O-N 3.14Å; I287-L289 PolarHBondContact O-N 3.16Å; I287-L289 VanDerWaalsContact O-N 3.16Å; I287-Y290 WeakPolarHBondContact O-CB 3.39Å; I287-Y290 PolarHBondContact O-N 3.12Å; I287-I304 HydrophobicContact CG2-CD1 4.29Å; I287-I304 HydrophobicContact CG2-CG2 3.98Å; I287-Y306 HydrophobicContact CD1-CD2 4.05Å; I287-A316 HydrophobicContact CD1-CB 3.56Å; I287-F380 HydrophobicContact CB-CD1 4.4Å; I287-F380 HydrophobicContact CB-CG 4.49Å; I287-F380 HydrophobicContact CD1-CB 3.93Å; I287-F380 HydrophobicContact CD1-CG 4.38Å; I287-F380 HydrophobicContact CG1-CB 3.81Å; I287-F380 HydrophobicContact CG1-CD1 3.8Å; I287-F380 HydrophobicContact CG1-CG 3.8Å; I287-F380 HydrophobicContact CG2-CD1 4.16Å; I287-F380 HydrophobicContact CG2-CD2 3.88Å; I287-F380 HydrophobicContact CG2-CE1 4.22Å; I287-F380 HydrophobicContact CG2-CE2 3.95Å; I287-F380 HydrophobicContact CG2-CG 3.99Å; I287-F380 HydrophobicContact CG2-CZ 4.12Å
288	E	90.6	Very high	82.1	Confident	75 Å²	75	58.9 Å²	58.9	35%	0.35	30%	0.296	S	S	.	.	H	α-helix	trans	-57.8	-27.9	178.4	-76.2	162.5	178.9	0	0	113.2	K284 S285 Y286 Y290 T291 K292 I304	K284-E288 IonicContact NZ-OE1 3.26Å; K284-E288 PolarHBondContact NZ-OE1 3.46Å; K284-E288 WeakPolarHBondContact O-CG 3.38Å; K284-E288 PolarHBondContact O-N 3.37Å; K284-E288 VanDerWaalsContact O-N 3.11Å; S285-E288 WeakPolarHBondContact CA-OE2 3.46Å; Y286-E288 VanDerWaalsContact C-N 3.29Å; Y286-E288 PolarHBondContact O-N 2.86Å; E288-Y290 PolarHBondContact O-N 2.62Å; E288-T291 PolarHBondContact O-N 2.88Å; E288-K292 WeakPolarHBondContact O-CB 3.48Å; E288-K292 PolarHBondContact O-N 3.11Å; E288-I304 HydrophobicContact CB-CD1 4.43Å; E288-I304 HydrophobicContact CG-CD1 3.51Å
289	L	91.6	Very high	80.6	Confident	28 Å²	28	60.8 Å²	60.8	15%	0.147	32%	0.316	C	S	.	.	H	α-helix	trans	-66.9	-21.2	173.9	-58.2	177.5	0	0	0	113.4	Y79 K85 M86 Y260 I280 Y286 I287	Y79-L289 HydrophobicContact CD2-CD1 4.4Å; Y79-L289 HydrophobicContact CE2-CD1 4.25Å; Y79-L289 HydrophobicContact CE2-CD2 4.44Å; K85-L289 WeakPolarHBondContact CB-O 3.48Å; M86-L289 HydrophobicContact CE-CD1 4.4Å; M86-L289 HydrophobicContact CG-CB 3.88Å; M86-L289 PolarHBondContact N-O 3.21Å; Y260-L289 HydrophobicContact CD1-CD1 3.93Å; Y260-L289 HydrophobicContact CE1-CD1 4.45Å; I280-L289 HydrophobicContact CD1-CD1 3.98Å; I280-L289 HydrophobicContact CG1-CD1 4.2Å; Y286-L289 WeakPolarHBondContact O-CB 3.44Å; Y286-L289 PolarHBondContact O-N 3.37Å; I287-L289 PolarHBondContact O-N 3.16Å; I287-L289 VanDerWaalsContact O-N 3.16Å
290	Y	90.3	Very high	79.4	Confident	5 Å²	5	59.6 Å²	59.6	2%	0.02	31%	0.314	C	S	.	.	H	α-helix	trans	-85.6	-26.8	177.5	-71.7	-95.5	0	0	0	113.2	W77 M86 Y286 I287 E288 R294 V327 W378 F380	W77-Y290 HydrophobicContact CB-CE1 4.13Å; W77-Y290 AromaticContact CD2-CD1 3.85Å; W77-Y290 HydrophobicContact CD2-CD1 3.85Å; W77-Y290 AromaticContact CD2-CE1 3.56Å; W77-Y290 HydrophobicContact CD2-CE1 3.56Å; W77-Y290 AromaticContact CE3-CD1 3.69Å; W77-Y290 HydrophobicContact CE3-CD1 3.69Å; W77-Y290 AromaticContact CE3-CE1 3.72Å; W77-Y290 HydrophobicContact CE3-CE1 3.72Å; W77-Y290 HydrophobicContact CG-CD1 4.48Å; W77-Y290 AromaticContact CG-CE1 3.73Å; W77-Y290 HydrophobicContact CG-CE1 3.73Å; W77-Y290 HydrophobicContact CH2-CD1 4.05Å; W77-Y290 HydrophobicContact CZ2-CD1 4.23Å; W77-Y290 AromaticContact CZ3-CD1 3.76Å; W77-Y290 HydrophobicContact CZ3-CD1 3.76Å; W77-Y290 HydrophobicContact CZ3-CE1 4.28Å; M86-Y290 HydrophobicContact CB-CD1 3.75Å; M86-Y290 HydrophobicContact CB-CD2 4.28Å; M86-Y290 HydrophobicContact CB-CE1 3.86Å; M86-Y290 HydrophobicContact CB-CE2 4.36Å; M86-Y290 HydrophobicContact CB-CG 3.98Å; M86-Y290 HydrophobicContact CE-CE2 4.33Å; M86-Y290 HydrophobicContact CG-CD1 4.17Å; M86-Y290 HydrophobicContact CG-CD2 3.92Å; M86-Y290 HydrophobicContact CG-CE1 3.98Å; M86-Y290 HydrophobicContact CG-CE2 3.71Å; M86-Y290 HydrophobicContact CG-CG 4.14Å; Y286-Y290 HydrophobicContact CD1-CE2 4.24Å; Y286-Y290 AromaticContact CE1-CE2 3.68Å; Y286-Y290 HydrophobicContact CE1-CE2 3.68Å; Y286-Y290 HydrophobicContact CE2-CE2 4.26Å; Y286-Y290 AromaticContact CZ-CE2 3.7Å; Y286-Y290 WeakPolarHBondContact O-CD2 3.45Å; Y286-Y290 PolarHBondContact OH-OH 3.14Å; I287-Y290 WeakPolarHBondContact O-CB 3.39Å; I287-Y290 PolarHBondContact O-N 3.12Å; E288-Y290 PolarHBondContact O-N 2.62Å; Y290-R294 VanDerWaalsContact O-CD 3.24Å; Y290-R294 WeakPolarHBondContact O-CD 3.02Å; Y290-R294 PolarHBondContact O-NE 3.18Å; Y290-V327 HydrophobicContact CE1-CG2 4.23Å; Y290-W378 HydrophobicContact CD1-CH2 4.37Å; Y290-W378 AromaticContact CD1-CZ2 3.86Å; Y290-W378 HydrophobicContact CD1-CZ2 3.86Å; Y290-W378 HydrophobicContact CG-CZ2 4.3Å; Y290-F380 HydrophobicContact CD1-CE1 4.18Å; Y290-F380 HydrophobicContact CD1-CZ 4.5Å; Y290-F380 AromaticContact CD2-CE1 3.68Å; Y290-F380 HydrophobicContact CD2-CE1 3.68Å; Y290-F380 HydrophobicContact CD2-CZ 4.36Å; Y290-F380 HydrophobicContact CE2-CE1 4.18Å; Y290-F380 AromaticContact CG-CE1 3.67Å; Y290-F380 HydrophobicContact CG-CE1 3.67Å; Y290-F380 AromaticContact CG-CZ 3.98Å; Y290-F380 HydrophobicContact CG-CZ 3.98Å
291	T	85	Confident	78.5	Confident	14 Å²	14	62.8 Å²	62.8	9%	0.086	34%	0.335	C	S	.	.	H	α-helix	trans	-107.3	-8.8	-174.3	57.9	0	0	0	0	113.9	E288 D293 R294 L302 I304 T318	E288-T291 PolarHBondContact O-N 2.88Å; T291-D293 PolarHBondContact O-N 3.39Å; T291-R294 WeakPolarHBondContact O-CB 3.44Å; T291-R294 PolarHBondContact O-N 3.36Å; T291-L302 HydrophobicContact CG2-CB 4.38Å; T291-L302 HydrophobicContact CG2-CD1 4.49Å; T291-I304 HydrophobicContact CG2-CG1 4.16Å; T291-I304 WeakPolarHBondContact OG1-CD1 3.41Å; T291-T318 HydrophobicContact CG2-CG2 4.23Å
292	K	78	Confident	78.2	Confident	72 Å²	72	57.3 Å²	57.3	31%	0.313	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	128	173.6	-174.7	179.5	168.3	-149.6	0	110.6	S83 E84 K85 E288 R294	S83-K292 PolarHBondContact O-NZ 2.65Å; E84-K292 PolarHBondContact O-NZ 2.84Å; K85-K292 HydrophobicContact CB-CB 4.32Å; K85-K292 HydrophobicContact CB-CD 4.23Å; E288-K292 WeakPolarHBondContact O-CB 3.48Å; E288-K292 PolarHBondContact O-N 3.11Å; K292-R294 PolarHBondContact O-N 3Å
293	D	71.6	Confident	77.9	Confident	110 Å²	110	62 Å²	62	59%	0.588	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	22.7	-176.7	-31.9	-41.9	0	0	0	115.1	K85 T291	K85-D293 IonicContact NZ-OD2 3.85Å; K85-D293 PolarHBondContact NZ-OD2 3.45Å; T291-D293 PolarHBondContact O-N 3.39Å
294	R	73.4	Confident	77.6	Confident	73 Å²	73	64 Å²	64	28%	0.275	33%	0.332	S	S	.	.			trans	-106.5	122.8	174	-61.2	-166.5	-174.5	-140.5	-2.2	111	M86 Y290 T291 K292 L302	M86-R294 PolarHBondContact O-NH2 2.88Å; Y290-R294 VanDerWaalsContact O-CD 3.24Å; Y290-R294 WeakPolarHBondContact O-CD 3.02Å; Y290-R294 PolarHBondContact O-NE 3.18Å; T291-R294 WeakPolarHBondContact O-CB 3.44Å; T291-R294 PolarHBondContact O-N 3.36Å; K292-R294 PolarHBondContact O-N 3Å; R294-L302 HydrophobicContact CB-CD1 3.69Å; R294-L302 HydrophobicContact CB-CG 4.19Å; R294-L302 WeakPolarHBondContact O-CB 3.16Å; R294-L302 WeakPolarHBondContact O-CG 3.08Å; R294-L302 PolarHBondContact O-N 3.21Å
295	N	67.8	Low	77.6	Confident	90 Å²	90	59.8 Å²	59.8	48%	0.481	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-106.3	153.5	174.6	-60.6	-0.2	0	0	0	110	G299 E300	N295-G299 WeakPolarHBondContact CB-O 2.86Å; N295-G299 PolarHBondContact ND2-O 3.31Å; N295-E300 CarbonylContact C-O 3.53Å; N295-E300 WeakPolarHBondContact CA-O 3.11Å
296	S	60.1	Low	77.6	Confident	31 Å²	31	61.6 Å²	61.6	22%	0.217	32%	0.316	C	S	.	.			trans	-67.3	170.6	167.8	58.5	0	0	0	0	111.8	D298 G299 E300	S296-D298 PolarHBondContact O-N 3.14Å; S296-D298 VanDerWaalsContact O-N 3.07Å; S296-G299 PolarHBondContact O-N 3.11Å; S296-E300 PolarHBondContact N-O 3.35Å; S296-E300 PolarHBondContact OG-O 3.04Å
297	E	56.7	Low	77.6	Confident	129 Å²	129	63.4 Å²	63.4	60%	0.603	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.5	175.9	-68.9	-159.3	125.5	0	0	113.8	G299 K526	E297-G299 VanDerWaalsContact C-N 3.29Å; E297-G299 PolarHBondContact O-N 3.25Å; E297-K526 IonicContact OE1-NZ 3.86Å; E297-K526 PolarHBondContact OE1-NZ 2.83Å; E297-K526 IonicContact OE2-NZ 3.24Å; E297-K526 PolarHBondContact OE2-NZ 3.41Å
298	D	57.1	Low	77.6	Confident	150 Å²	150	68.4 Å²	68.4	80%	0.802	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	1.2	179.2	-59.7	-46.7	0	0	0	113.4	S296 E300	S296-D298 PolarHBondContact O-N 3.14Å; S296-D298 VanDerWaalsContact O-N 3.07Å; D298-E300 VanDerWaalsContact C-N 3.29Å; D298-E300 PolarHBondContact O-N 3.38Å
299	G	59.7	Low	77.4	Confident	45 Å²	45	66.3 Å²	66.3	46%	0.464	34%	0.341	S	S	.	.	S	Bend	trans	83.9	-9.5	-179.1	0	0	0	0	0	115.3	N295 S296 E297	N295-G299 WeakPolarHBondContact CB-O 2.86Å; N295-G299 PolarHBondContact ND2-O 3.31Å; S296-G299 PolarHBondContact O-N 3.11Å; E297-G299 VanDerWaalsContact C-N 3.29Å; E297-G299 PolarHBondContact O-N 3.25Å
300	E	64.3	Low	77.4	Confident	136 Å²	136	68.3 Å²	68.3	64%	0.636	35%	0.35	S	S	*	.			trans	-72.9	139.8	173.3	-78.2	-80.8	160.3	0	0	111.7	N295 S296 D298	N295-E300 CarbonylContact C-O 3.53Å; N295-E300 WeakPolarHBondContact CA-O 3.11Å; S296-E300 PolarHBondContact N-O 3.35Å; S296-E300 PolarHBondContact OG-O 3.04Å; D298-E300 VanDerWaalsContact C-N 3.29Å; D298-E300 PolarHBondContact O-N 3.38Å
301	P	69.2	Low	77.3	Confident	84 Å²	84	73.7 Å²	73.7	55%	0.545	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-63.5	143.8	-178.5	26.2	-34.9	0	0	0	113.3	K303	P301-K303 PolarHBondContact O-N 2.69Å; P301-K303 VanDerWaalsContact O-N 3.11Å
302	L	77.7	Confident	77.6	Confident	17 Å²	17	75.8 Å²	75.8	9%	0.089	39%	0.389	C	S	.	.			trans	-61.2	114.6	-175	-77.7	-176.2	0	0	0	112.7	T291 R294 I304 V319	T291-L302 HydrophobicContact CG2-CB 4.38Å; T291-L302 HydrophobicContact CG2-CD1 4.49Å; R294-L302 HydrophobicContact CB-CD1 3.69Å; R294-L302 HydrophobicContact CB-CG 4.19Å; R294-L302 WeakPolarHBondContact O-CB 3.16Å; R294-L302 WeakPolarHBondContact O-CG 3.08Å; R294-L302 PolarHBondContact O-N 3.21Å; L302-I304 PolarHBondContact O-N 2.81Å; L302-I304 VanDerWaalsContact O-N 3.17Å; L302-V319 HydrophobicContact CD2-CB 4.27Å
303	K	82.2	Confident	78.4	Confident	115 Å²	115	72.4 Å²	72.4	50%	0.5	38%	0.375	S	S	.	.			trans	-81.7	93.6	-173.2	-172.8	176.7	-176.8	176.2	0	112.2	P301 I305 K421	P301-K303 PolarHBondContact O-N 2.69Å; P301-K303 VanDerWaalsContact O-N 3.11Å; K303-I305 PolarHBondContact O-N 2.73Å; K303-K421 PolarHBondContact NZ-O 2.73Å
304	I	87.2	Confident	79.5	Confident	46 Å²	46	68.6 Å²	68.6	24%	0.236	35%	0.353	C	S	.	.			trans	-63.3	126.3	172	-45.3	167.8	0	0	0	110.1	I287 E288 T291 L302 A316	I287-I304 HydrophobicContact CG2-CD1 4.29Å; I287-I304 HydrophobicContact CG2-CG2 3.98Å; E288-I304 HydrophobicContact CB-CD1 4.43Å; E288-I304 HydrophobicContact CG-CD1 3.51Å; T291-I304 HydrophobicContact CG2-CG1 4.16Å; T291-I304 WeakPolarHBondContact OG1-CD1 3.41Å; L302-I304 PolarHBondContact O-N 2.81Å; L302-I304 VanDerWaalsContact O-N 3.17Å; I304-A316 HydrophobicContact CG2-CB 4.18Å
305	I	90	Very high	80.5	Confident	5 Å²	5	65.1 Å²	65.1	3%	0.026	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.4	167.7	-51.8	164.7	0	0	0	106.9	K303 A316 V317 F415 Q418 M419	K303-I305 PolarHBondContact O-N 2.73Å; I305-A316 CarbonylContact O-C 3.6Å; I305-A316 WeakPolarHBondContact O-CA 3.16Å; I305-A316 WeakPolarHBondContact O-CB 3.31Å; I305-V317 PolarHBondContact N-O 2.99Å; I305-V317 PolarHBondContact O-N 2.73Å; I305-F415 HydrophobicContact CB-CE2 4.26Å; I305-F415 HydrophobicContact CG2-CD2 3.53Å; I305-F415 HydrophobicContact CG2-CE2 3.6Å; I305-F415 HydrophobicContact CG2-CG 4.18Å; I305-F415 HydrophobicContact CG2-CZ 4.25Å; I305-F415 WeakPolarHBondContact O-CE2 3.45Å; I305-Q418 VanDerWaalsContact CD1-C 3.5Å; I305-Q418 HydrophobicContact CD1-CB 4.11Å; I305-Q418 HydrophobicContact CG1-CB 4.31Å; I305-Q418 HydrophobicContact CG2-CB 3.95Å; I305-M419 HydrophobicContact CD1-CB 4.03Å
306	Y	92.9	Very high	81.7	Confident	67 Å²	67	60.9 Å²	60.9	26%	0.263	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.3	-175.4	167.5	-82.4	0	0	0	110.7	F283 K284 I287 E314 A316	F283-Y306 HydrophobicContact CD1-CE2 4.45Å; K284-Y306 HydrophobicContact CB-CD1 4.47Å; K284-Y306 HydrophobicContact CB-CD2 3.9Å; K284-Y306 HydrophobicContact CB-CE1 4.44Å; K284-Y306 HydrophobicContact CB-CE2 3.85Å; K284-Y306 HydrophobicContact CB-CG 4.22Å; K284-Y306 HydrophobicContact CD-CD1 4.03Å; K284-Y306 HydrophobicContact CD-CE1 4.48Å; K284-Y306 HydrophobicContact CD-CG 4.14Å; K284-Y306 HydrophobicContact CG-CD1 4.48Å; K284-Y306 HydrophobicContact CG-CD2 4.25Å; K284-Y306 HydrophobicContact CG-CG 4.17Å; I287-Y306 HydrophobicContact CD1-CD2 4.05Å; Y306-E314 HydrophobicContact CE2-CB 4.28Å; Y306-E314 PolarHBondContact OH-OE1 2.82Å; Y306-A316 HydrophobicContact CD2-CB 4.16Å
307	E	91.9	Very high	83.3	Confident	39 Å²	39	59.4 Å²	59.4	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	146.3	173.3	-174.1	169.7	-109.3	0	0	110.8	P309 V315 V411 S412 F415	E307-P309 HydrophobicContact CG-CB 4.44Å; E307-P309 WeakPolarHBondContact O-CD 3.4Å; E307-V315 PolarHBondContact N-O 3.36Å; E307-V315 PolarHBondContact O-N 3.44Å; E307-V315 VanDerWaalsContact O-O 3.08Å; E307-V411 VanDerWaalsContact OE2-CA 3.25Å; E307-V411 WeakPolarHBondContact OE2-CA 3.42Å; E307-S412 WeakPolarHBondContact OE1-CB 3.31Å; E307-S412 PolarHBondContact OE1-OG 3.01Å; E307-S412 PolarHBondContact OE2-N 2.93Å; E307-F415 HydrophobicContact CB-CD2 3.51Å; E307-F415 HydrophobicContact CB-CE2 3.88Å; E307-F415 HydrophobicContact CB-CG 4.39Å
308	Q	91.5	Very high	84.9	Confident	105 Å²	105	53.3 Å²	53.3	49%	0.491	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	79.1	168.1	-172.5	175.5	28.7	0	0	108.8	H310 W313 E314	Q308-H310 WeakPolarHBondContact CG-O 3.22Å; Q308-H310 PolarHBondContact O-N 2.75Å; Q308-W313 WeakPolarHBondContact CA-O 3.42Å; Q308-W313 WeakPolarHBondContact CG-O 3.3Å; Q308-E314 HydrophobicContact CB-CG 4.28Å; Q308-E314 HydrophobicContact CG-CG 3.82Å
309	P	88.1	Confident	86.4	Confident	31 Å²	31	46.8 Å²	46.8	20%	0.201	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	-12.4	-173.9	27.3	-36.3	0	0	0	113.9	E307 W313 V315 C409 T410	E307-P309 HydrophobicContact CG-CB 4.44Å; E307-P309 WeakPolarHBondContact O-CD 3.4Å; P309-W313 VanDerWaalsContact CD-O 3.29Å; P309-W313 WeakPolarHBondContact CD-O 3.43Å; P309-W313 HydrophobicContact CG-CB 4.39Å; P309-V315 HydrophobicContact CG-CG2 4.18Å; P309-C409 WeakPolarHBondContact CG-SG 3.29Å; P309-T410 WeakPolarHBondContact CB-O 3.31Å
310	H	90.5	Very high	87.6	Confident	71 Å²	71	44.7 Å²	44.7	33%	0.329	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	155.3	174	-171.6	-106.1	0	0	0	110.2	Q308 R312 W313	Q308-H310 WeakPolarHBondContact CG-O 3.22Å; Q308-H310 PolarHBondContact O-N 2.75Å; H310-R312 PolarHBondContact ND1-N 3.31Å; H310-R312 PolarHBondContact O-N 2.77Å; H310-W313 HydrophobicContact CB-CB 4.24Å; H310-W313 CarbonylContact O-C 3.56Å; H310-W313 PolarHBondContact O-N 3.2Å
311	V	88.6	Confident	88.1	Confident	118 Å²	118	42.7 Å²	42.7	72%	0.715	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-15.5	176.9	70.7	0	0	0	0	113.9
312	R	91.9	Very high	88.4	Confident	58 Å²	58	46.1 Å²	46.1	22%	0.219	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	7.4	174.5	-62.2	-166.4	-177.7	160.7	-7.3	114.6	H310 C383 L384 E386 G406	H310-R312 PolarHBondContact ND1-N 3.31Å; H310-R312 PolarHBondContact O-N 2.77Å; R312-C383 CarbonylContact O-C 3.57Å; R312-C383 WeakPolarHBondContact O-CA 3.31Å; R312-L384 HydrophobicContact CB-CB 3.92Å; R312-L384 WeakPolarHBondContact CD-O 3.46Å; R312-L384 HydrophobicContact CG-CB 3.95Å; R312-L384 PolarHBondContact O-N 2.89Å; R312-E386 IonicContact CZ-OE1 2.73Å; R312-E386 VanDerWaalsContact CZ-OE1 3.24Å; R312-E386 VanDerWaalsContact NH1-CD 3.34Å; R312-E386 IonicContact NH1-OE1 2.78Å; R312-E386 PolarHBondContact NH1-OE1 3.08Å; R312-E386 IonicContact NH2-OE1 3.19Å; R312-E386 PolarHBondContact NH2-OE1 2.88Å; R312-G406 PolarHBondContact NH1-O 2.96Å; R312-G406 VanDerWaalsContact NH1-O 3.11Å
313	W	93.7	Very high	88.7	Confident	1 Å²	1	46.5 Å²	46.5	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	116.8	-177.6	-68.2	86.9	0	0	0	111.8	Q308 P309 H310 H341 Y344 I345 C383 I385 F405 S407 C409	Q308-W313 WeakPolarHBondContact CA-O 3.42Å; Q308-W313 WeakPolarHBondContact CG-O 3.3Å; P309-W313 VanDerWaalsContact CD-O 3.29Å; P309-W313 WeakPolarHBondContact CD-O 3.43Å; P309-W313 HydrophobicContact CG-CB 4.39Å; H310-W313 HydrophobicContact CB-CB 4.24Å; H310-W313 CarbonylContact O-C 3.56Å; H310-W313 PolarHBondContact O-N 3.2Å; W313-H341 HydrophobicContact CH2-CB 3.95Å; W313-H341 HydrophobicContact CZ3-CB 4.26Å; W313-Y344 HydrophobicContact CH2-CD1 4.29Å; W313-I345 HydrophobicContact CE3-CD1 4.19Å; W313-I345 HydrophobicContact CE3-CG1 4.43Å; W313-I345 HydrophobicContact CZ3-CD1 4.08Å; W313-I345 HydrophobicContact CZ3-CG1 4.01Å; W313-C383 HydrophobicContact CD2-CB 3.79Å; W313-C383 HydrophobicContact CE3-CB 3.57Å; W313-C383 HydrophobicContact CG-CB 4.47Å; W313-C383 HydrophobicContact CH2-CB 4.1Å; W313-C383 HydrophobicContact CZ2-CB 4.28Å; W313-C383 HydrophobicContact CZ3-CB 3.75Å; W313-I385 HydrophobicContact CH2-CD1 4.01Å; W313-I385 HydrophobicContact CZ2-CD1 3.6Å; W313-F405 AromaticContact CH2-CD2 3.93Å; W313-F405 HydrophobicContact CH2-CD2 3.93Å; W313-F405 AromaticContact CH2-CE2 3.92Å; W313-F405 HydrophobicContact CH2-CE2 3.92Å; W313-F405 AromaticContact CZ2-CD2 3.64Å; W313-F405 HydrophobicContact CZ2-CD2 3.64Å; W313-F405 HydrophobicContact CZ2-CE2 4.13Å; W313-F405 HydrophobicContact CZ2-CG 4.37Å; W313-S407 PolarHBondContact NE1-OG 3.01Å; W313-C409 HydrophobicContact CB-CB 4.22Å; W313-C409 HydrophobicContact CD2-CB 3.64Å; W313-C409 HydrophobicContact CE3-CB 3.96Å; W313-C409 HydrophobicContact CG-CB 3.74Å
314	E	94.6	Very high	89.1	Confident	30 Å²	30	44.1 Å²	44.1	14%	0.14	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.9	162.5	-61	166.4	105.3	0	0	108.5	F283 Y306 Q308 N382	F283-E314 WeakPolarHBondContact CB-OE1 3.47Å; F283-E314 HydrophobicContact CD1-CB 3.8Å; F283-E314 HydrophobicContact CE1-CB 4.47Å; Y306-E314 HydrophobicContact CE2-CB 4.28Å; Y306-E314 PolarHBondContact OH-OE1 2.82Å; Q308-E314 HydrophobicContact CB-CG 4.28Å; Q308-E314 HydrophobicContact CG-CG 3.82Å; E314-N382 HydrophobicContact CB-CB 4.24Å; E314-N382 PolarHBondContact N-O 3.09Å; E314-N382 PolarHBondContact O-N 3.1Å; E314-N382 PolarHBondContact OE2-ND2 2.79Å
315	V	94.4	Very high	89.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.7	-176.6	-177.8	0	0	0	0	108.9	E307 P309 I345 L381 F415	E307-V315 PolarHBondContact N-O 3.36Å; E307-V315 PolarHBondContact O-N 3.44Å; E307-V315 VanDerWaalsContact O-O 3.08Å; P309-V315 HydrophobicContact CG-CG2 4.18Å; V315-I345 HydrophobicContact CG1-CG2 4.05Å; V315-L381 HydrophobicContact CB-CD2 4.2Å; V315-L381 HydrophobicContact CG1-CD2 3.91Å; V315-L381 HydrophobicContact CG2-CD2 3.86Å; V315-F415 HydrophobicContact CG1-CZ 4.04Å
316	A	93.7	Very high	89.4	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	153.2	164.2	0	0	0	0	0	113	I287 I304 I305 Y306 V379 F380	I287-A316 HydrophobicContact CD1-CB 3.56Å; I304-A316 HydrophobicContact CG2-CB 4.18Å; I305-A316 CarbonylContact O-C 3.6Å; I305-A316 WeakPolarHBondContact O-CA 3.16Å; I305-A316 WeakPolarHBondContact O-CB 3.31Å; Y306-A316 HydrophobicContact CD2-CB 4.16Å; A316-V379 WeakPolarHBondContact O-CA 3.36Å; A316-F380 HydrophobicContact CB-CB 4.25Å; A316-F380 PolarHBondContact N-O 3.05Å; A316-F380 PolarHBondContact O-N 2.83Å
317	V	92.7	Very high	89.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.2	-180	169.9	0	0	0	0	109.6	I305 L349 I377 W378 V379 F415 M419 I424	I305-V317 PolarHBondContact N-O 2.99Å; I305-V317 PolarHBondContact O-N 2.73Å; V317-L349 HydrophobicContact CG2-CD1 3.75Å; V317-I377 HydrophobicContact CG1-CG2 3.97Å; V317-I377 HydrophobicContact CG2-CG2 4.46Å; V317-W378 WeakPolarHBondContact CA-O 3.4Å; V317-V379 HydrophobicContact CG2-CG2 4.49Å; V317-F415 HydrophobicContact CB-CZ 4.19Å; V317-F415 HydrophobicContact CG2-CE1 4.08Å; V317-F415 HydrophobicContact CG2-CZ 3.83Å; V317-M419 HydrophobicContact CG1-CE 3.8Å; V317-M419 HydrophobicContact CG1-CG 4.28Å; V317-M419 HydrophobicContact CG2-CE 4.34Å; V317-I424 HydrophobicContact CG1-CD1 3.7Å
318	T	90.3	Very high	89.6	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	176.8	160.2	-170	0	0	0	0	109.7	T291 W378 F380	T291-T318 HydrophobicContact CG2-CG2 4.23Å; T318-W378 HydrophobicContact CG2-CB 3.85Å; T318-W378 HydrophobicContact CG2-CD2 4.26Å; T318-W378 HydrophobicContact CG2-CE3 3.95Å; T318-W378 HydrophobicContact CG2-CG 4.27Å; T318-W378 PolarHBondContact N-O 3.47Å; T318-W378 PolarHBondContact O-N 3.18Å; T318-F380 HydrophobicContact CG2-CE2 4.32Å
319	V	88.5	Confident	89.8	Confident	13 Å²	13	36 Å²	36	8%	0.079	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	147.8	173.2	-175.3	0	0	0	0	109.6	L302 S422 I424	L302-V319 HydrophobicContact CD2-CB 4.27Å; V319-S422 WeakPolarHBondContact CG2-O 3.42Å; V319-I424 HydrophobicContact CG2-CG1 3.82Å
320	S	85.7	Confident	90.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	18%	0.175	C	C	.	.			trans	-121.5	134.8	160.8	-161.9	0	0	0	0	112.3	K322 G323 Q325 H376	S320-K322 PolarHBondContact OG-N 3.3Å; S320-G323 WeakPolarHBondContact CB-O 3.38Å; S320-G323 PolarHBondContact OG-O 3.2Å; S320-Q325 WeakPolarHBondContact OG-CG 3.11Å; S320-Q325 PolarHBondContact OG-OE1 3.04Å; S320-H376 PolarHBondContact N-O 3.18Å; S320-H376 PolarHBondContact O-ND1 2.82Å
321	D	75.6	Confident	90.2	Very high	94 Å²	94	31.2 Å²	31.2	50%	0.503	16%	0.16	S	C	.	.	S	Bend	trans	-93.7	-12.9	176.9	-31	-68.4	0	0	0	111.6
322	K	74.7	Confident	90.3	Very high	155 Å²	155	25.8 Å²	25.8	67%	0.674	13%	0.128	S	C	*	.	S	Bend	trans	-113.9	32.7	-172.1	-65.3	-169.8	178.1	-173.7	0	113.4	S320	S320-K322 PolarHBondContact OG-N 3.3Å
323	G	84	Confident	90.3	Very high	26 Å²	26	23.1 Å²	23.1	27%	0.268	12%	0.118	S	C	.	.	S	Bend	trans	82.6	-168.8	-175.4	0	0	0	0	0	112.6	S320 Q325 N375	S320-G323 WeakPolarHBondContact CB-O 3.38Å; S320-G323 PolarHBondContact OG-O 3.2Å; G323-Q325 PolarHBondContact O-N 3.19Å; G323-N375 CarbonylContact C-O 3.51Å; G323-N375 WeakPolarHBondContact CA-O 3.38Å
324	F	90.3	Very high	90.2	Very high	64 Å²	64	23.8 Å²	23.8	28%	0.281	12%	0.123	S	C	.	.	S	Bend	trans	-66	124.4	178.6	174.2	-115.9	0	0	0	110.6	Q326 V342 T346 K374 I377 V379	F324-Q326 HydrophobicContact CE1-CB 4.08Å; F324-Q326 HydrophobicContact CE1-CG 4.43Å; F324-Q326 HydrophobicContact CZ-CB 3.84Å; F324-V342 HydrophobicContact CE1-CG1 4.26Å; F324-V342 HydrophobicContact CZ-CG1 3.74Å; F324-T346 HydrophobicContact CE2-CG2 3.58Å; F324-T346 HydrophobicContact CZ-CG2 3.69Å; F324-K374 HydrophobicContact CB-CG 4.32Å; F324-K374 WeakPolarHBondContact CB-O 3.49Å; F324-K374 HydrophobicContact CD1-CG 4.46Å; F324-K374 HydrophobicContact CD2-CG 3.7Å; F324-K374 VanDerWaalsContact CD2-O 3.28Å; F324-K374 WeakPolarHBondContact CD2-O 3.49Å; F324-K374 HydrophobicContact CE2-CG 4.15Å; F324-K374 HydrophobicContact CG-CG 3.88Å; F324-I377 WeakPolarHBondContact CD2-O 3.16Å; F324-V379 HydrophobicContact CE2-CG2 4.18Å
325	Q	90.8	Very high	90.1	Very high	29 Å²	29	22.4 Å²	22.4	14%	0.136	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	141.6	179.1	-70.2	-172.2	-38.2	0	0	111.2	S320 G323 I377 W378 V379	S320-Q325 WeakPolarHBondContact OG-CG 3.11Å; S320-Q325 PolarHBondContact OG-OE1 3.04Å; G323-Q325 PolarHBondContact O-N 3.19Å; Q325-I377 PolarHBondContact N-O 2.95Å; Q325-W378 HydrophobicContact CB-CB 4.24Å; Q325-W378 HydrophobicContact CB-CD2 4.19Å; Q325-W378 HydrophobicContact CB-CG 3.72Å; Q325-W378 WeakPolarHBondContact O-CA 3.48Å; Q325-V379 PolarHBondContact O-N 2.82Å
326	Q	93.5	Very high	89.8	Confident	40 Å²	40	26.4 Å²	26.4	19%	0.187	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	139.4	-176.9	79.5	86.2	19	0	0	111.5	F324 S328 T335 V336 V342 V379	F324-Q326 HydrophobicContact CE1-CB 4.08Å; F324-Q326 HydrophobicContact CE1-CG 4.43Å; F324-Q326 HydrophobicContact CZ-CB 3.84Å; Q326-S328 PolarHBondContact OE1-OG 3.1Å; Q326-T335 PolarHBondContact NE2-O 3.06Å; Q326-V336 VanDerWaalsContact NE2-C 3.3Å; Q326-V336 PolarHBondContact NE2-O 2.71Å; Q326-V342 HydrophobicContact CB-CG1 4.13Å; Q326-V342 HydrophobicContact CG-CG1 4.49Å; Q326-V379 CarbonylContact C-O 3.53Å; Q326-V379 WeakPolarHBondContact CA-O 3.45Å
327	V	94.1	Very high	89.6	Confident	14 Å²	14	33.1 Å²	33.1	9%	0.085	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	102.3	168.5	178.9	0	0	0	0	106.9	Y286 Y290 F329 V379 F380 L381	Y286-V327 HydrophobicContact CE1-CG1 4.36Å; Y290-V327 HydrophobicContact CE1-CG2 4.23Å; V327-F329 HydrophobicContact CG1-CE2 3.81Å; V327-F329 HydrophobicContact CG1-CZ 4.25Å; V327-V379 PolarHBondContact N-O 3.35Å; V327-F380 HydrophobicContact CB-CD1 3.69Å; V327-F380 HydrophobicContact CB-CE1 3.99Å; V327-F380 HydrophobicContact CG1-CD1 4.18Å; V327-F380 HydrophobicContact CG2-CD1 4.14Å; V327-F380 HydrophobicContact CG2-CE1 3.91Å; V327-F380 CarbonylContact O-C 3.57Å; V327-F380 VanDerWaalsContact O-CA 3.29Å; V327-F380 WeakPolarHBondContact O-CA 3.38Å; V327-L381 PolarHBondContact O-N 2.81Å
328	S	95.2	Very high	89.6	Confident	4 Å²	4	33.2 Å²	33.2	3%	0.028	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.2	-172.9	61.7	0	0	0	0	113.9	Q326 T335 H341 V342 L381	Q326-S328 PolarHBondContact OE1-OG 3.1Å; S328-T335 VanDerWaalsContact C-OG1 3.32Å; S328-T335 PolarHBondContact O-N 3.15Å; S328-T335 PolarHBondContact O-OG1 2.99Å; S328-T335 PolarHBondContact OG-O 3.04Å; S328-T335 PolarHBondContact OG-OG1 3.39Å; S328-H341 PolarHBondContact OG-NE2 3.26Å; S328-V342 WeakPolarHBondContact OG-CG2 3.45Å; S328-L381 CarbonylContact C-O 3.53Å; S328-L381 VanDerWaalsContact CA-O 3.31Å; S328-L381 WeakPolarHBondContact CA-O 3.29Å
329	F	95.1	Very high	89.7	Confident	4 Å²	4	33.7 Å²	33.7	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.3	178.7	-60.3	-85.1	0	0	0	111.9	D261 T265 F283 Y286 V327 I333 A334 L381 C383	D261-F329 HydrophobicContact CB-CE1 3.87Å; D261-F329 HydrophobicContact CB-CZ 3.94Å; T265-F329 HydrophobicContact CG2-CB 3.74Å; T265-F329 HydrophobicContact CG2-CD1 3.78Å; T265-F329 HydrophobicContact CG2-CD2 3.49Å; T265-F329 VanDerWaalsContact CG2-CD2 3.49Å; T265-F329 HydrophobicContact CG2-CE1 4.27Å; T265-F329 HydrophobicContact CG2-CE2 4Å; T265-F329 HydrophobicContact CG2-CG 3.37Å; T265-F329 HydrophobicContact CG2-CZ 4.37Å; F283-F329 AromaticContact CE2-CD2 3.88Å; F283-F329 HydrophobicContact CE2-CD2 3.88Å; F283-F329 HydrophobicContact CE2-CE2 4.05Å; F283-F329 HydrophobicContact CZ-CD2 4.37Å; Y286-F329 AromaticContact CE1-CE2 3.87Å; Y286-F329 HydrophobicContact CE1-CE2 3.87Å; Y286-F329 HydrophobicContact CE1-CZ 4.3Å; Y286-F329 WeakPolarHBondContact OH-CZ 3.35Å; V327-F329 HydrophobicContact CG1-CE2 3.81Å; V327-F329 HydrophobicContact CG1-CZ 4.25Å; F329-I333 WeakPolarHBondContact CA-O 3.44Å; F329-A334 HydrophobicContact CD1-CB 4.06Å; F329-A334 HydrophobicContact CE1-CB 3.69Å; F329-L381 PolarHBondContact N-O 3.28Å; F329-C383 PolarHBondContact O-N 3.47Å; F329-C383 PolarHBondContact O-SG 3.09Å
330	V	94	Very high	90	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	113.7	176.7	176.7	0	0	0	0	107.9	S332 I333 T335 H341 C383 I385 P388 F390 M398	V330-S332 PolarHBondContact O-N 3.45Å; V330-I333 PolarHBondContact N-O 3.06Å; V330-I333 VanDerWaalsContact O-CB 3.27Å; V330-I333 WeakPolarHBondContact O-CB 3.44Å; V330-I333 PolarHBondContact O-N 3.26Å; V330-T335 HydrophobicContact CB-CG2 4.19Å; V330-T335 HydrophobicContact CG2-CG2 3.81Å; V330-H341 WeakPolarHBondContact CG2-NE2 3.32Å; V330-C383 WeakPolarHBondContact CA-O 3.25Å; V330-I385 HydrophobicContact CG1-CB 3.97Å; V330-I385 HydrophobicContact CG1-CG1 3.79Å; V330-P388 HydrophobicContact CG1-CB 4.02Å; V330-P388 HydrophobicContact CG1-CG 4.3Å; V330-F390 HydrophobicContact CG1-CZ 4.21Å; V330-M398 HydrophobicContact CG1-SD 3.92Å; V330-M398 HydrophobicContact CG2-CB 4.43Å; V330-M398 HydrophobicContact CG2-SD 3.91Å
331	N	92.3	Very high	90.4	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.011	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	45.1	-176.5	-56.6	-6.9	0	0	0	111.7	V174 T175 I333 C383 L384 I385 P388	V174-N331 VanDerWaalsContact C-CG 3.4Å; V174-N331 WeakPolarHBondContact O-CB 3.49Å; V174-N331 VanDerWaalsContact O-CG 3.23Å; V174-N331 PolarHBondContact O-ND2 3.47Å; T175-N331 PolarHBondContact N-ND2 3.21Å; T175-N331 PolarHBondContact O-ND2 3.49Å; N331-I333 PolarHBondContact O-N 3.04Å; N331-I333 VanDerWaalsContact O-N 3.08Å; N331-C383 PolarHBondContact N-O 3.46Å; N331-L384 VanDerWaalsContact OD1-CA 3.31Å; N331-L384 WeakPolarHBondContact OD1-CA 3.25Å; N331-I385 PolarHBondContact ND2-O 3.47Å; N331-I385 PolarHBondContact OD1-N 2.88Å; N331-I385 PolarHBondContact OD1-O 3.28Å; N331-P388 WeakPolarHBondContact ND2-CG 3Å
332	S	91.4	Very high	91.4	Very high	5 Å²	5	35.2 Å²	35.2	4%	0.035	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	4.3	-173	-64.4	0	0	0	0	117.2	R258 T265 C266 V330	R258-S332 PolarHBondContact NH1-O 3.37Å; R258-S332 PolarHBondContact NH2-O 3.25Å; T265-S332 PolarHBondContact OG1-OG 3.41Å; T265-S332 VanDerWaalsContact OG1-OG 3.1Å; C266-S332 PolarHBondContact SG-OG 3.17Å; V330-S332 PolarHBondContact O-N 3.45Å
333	I	91.3	Very high	92.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	135.5	166.7	-59.6	160.3	0	0	0	109.3	V106 G176 F329 V330 N331 T335 F390 K395	V106-I333 HydrophobicContact CG1-CG1 4.14Å; V106-I333 HydrophobicContact CG2-CG1 4.34Å; G176-I333 VanDerWaalsContact CA-CD1 3.47Å; F329-I333 WeakPolarHBondContact CA-O 3.44Å; V330-I333 PolarHBondContact N-O 3.06Å; V330-I333 VanDerWaalsContact O-CB 3.27Å; V330-I333 WeakPolarHBondContact O-CB 3.44Å; V330-I333 PolarHBondContact O-N 3.26Å; N331-I333 PolarHBondContact O-N 3.04Å; N331-I333 VanDerWaalsContact O-N 3.08Å; I333-T335 PolarHBondContact O-N 2.68Å; I333-F390 HydrophobicContact CD1-CE2 4.01Å; I333-F390 HydrophobicContact CD1-CZ 3.66Å; I333-K395 HydrophobicContact CD1-CB 4.32Å; I333-K395 HydrophobicContact CD1-CD 3.58Å; I333-K395 HydrophobicContact CG1-CD 4.37Å; I333-K395 HydrophobicContact CG2-CB 3.81Å
334	A	91.4	Very high	92.7	Very high	15 Å²	15	32.2 Å²	32.2	12%	0.124	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	101.8	175.4	0	0	0	0	0	111.5	F329 V336	F329-A334 HydrophobicContact CD1-CB 4.06Å; F329-A334 HydrophobicContact CE1-CB 3.69Å; A334-V336 VanDerWaalsContact C-N 3.28Å; A334-V336 HydrophobicContact CB-CG1 4.35Å; A334-V336 PolarHBondContact O-N 2.84Å
335	T	92.5	Very high	92.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	14%	0.144	C	C	.	.			trans	-83.5	71.7	176.8	43.8	0	0	0	0	110.8	Q326 S328 V330 I333 K337 G338 H341 F390 E396 M398	Q326-T335 PolarHBondContact NE2-O 3.06Å; S328-T335 VanDerWaalsContact C-OG1 3.32Å; S328-T335 PolarHBondContact O-N 3.15Å; S328-T335 PolarHBondContact O-OG1 2.99Å; S328-T335 PolarHBondContact OG-O 3.04Å; S328-T335 PolarHBondContact OG-OG1 3.39Å; V330-T335 HydrophobicContact CB-CG2 4.19Å; V330-T335 HydrophobicContact CG2-CG2 3.81Å; I333-T335 PolarHBondContact O-N 2.68Å; T335-K337 VanDerWaalsContact C-N 3.26Å; T335-K337 PolarHBondContact O-N 2.94Å; T335-G338 WeakPolarHBondContact O-CA 3.42Å; T335-G338 PolarHBondContact O-N 3.23Å; T335-H341 PolarHBondContact OG1-CE1 3.21Å; T335-H341 PolarHBondContact OG1-NE2 2.58Å; T335-F390 HydrophobicContact CG2-CE1 3.9Å; T335-E396 CarbonylContact C-O 3.59Å; T335-E396 WeakPolarHBondContact CA-O 3.26Å; T335-E396 WeakPolarHBondContact CB-O 3.35Å; T335-M398 HydrophobicContact CG2-CB 4.39Å
336	V	88.6	Confident	92.9	Very high	84 Å²	84	28.1 Å²	28.1	51%	0.509	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.1	-175.7	-65.5	0	0	0	0	114.2	Q326 A334 E396	Q326-V336 VanDerWaalsContact NE2-C 3.3Å; Q326-V336 PolarHBondContact NE2-O 2.71Å; A334-V336 VanDerWaalsContact C-N 3.28Å; A334-V336 HydrophobicContact CB-CG1 4.35Å; A334-V336 PolarHBondContact O-N 2.84Å; V336-E396 HydrophobicContact CG2-CB 3.86Å; V336-E396 HydrophobicContact CG2-CG 3.76Å; V336-E396 PolarHBondContact N-O 3.43Å
337	K	89	Confident	92.8	Very high	142 Å²	142	30.7 Å²	30.7	62%	0.617	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-4	172.5	-73.6	168.8	179.9	156.7	0	112.8	T335 E396 N397	T335-K337 VanDerWaalsContact C-N 3.26Å; T335-K337 PolarHBondContact O-N 2.94Å; K337-E396 HydrophobicContact CB-CB 4.34Å; K337-E396 HydrophobicContact CD-CB 4.08Å; K337-E396 WeakPolarHBondContact CD-OE2 3.5Å; K337-E396 WeakPolarHBondContact CE-OE2 3.42Å; K337-E396 HydrophobicContact CG-CB 4.35Å; K337-E396 PolarHBondContact N-O 2.71Å; K337-E396 IonicContact NZ-OE2 3.6Å; K337-E396 PolarHBondContact NZ-OE2 3.04Å; K337-N397 HydrophobicContact CB-CB 3.94Å
338	G	92.5	Very high	92.5	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.7	-126.1	177	0	0	0	0	0	112.7	T335 H341 E396 N397 M398	T335-G338 WeakPolarHBondContact O-CA 3.42Å; T335-G338 PolarHBondContact O-N 3.23Å; G338-H341 PolarHBondContact O-CE1 3.05Å; G338-E396 PolarHBondContact N-O 3.1Å; G338-N397 WeakPolarHBondContact O-CA 3.49Å; G338-M398 PolarHBondContact O-N 3.26Å
339	G	93.5	Very high	92.3	Very high	11 Å²	11	32.5 Å²	32.5	11%	0.113	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121.1	-159.7	-180	0	0	0	0	0	113.6	H341 V342 D343 N397 M398	G339-H341 VanDerWaalsContact C-N 3.26Å; G339-H341 PolarHBondContact O-N 3.04Å; G339-H341 VanDerWaalsContact O-N 3.12Å; G339-V342 WeakPolarHBondContact O-CB 3.46Å; G339-V342 PolarHBondContact O-N 3.22Å; G339-D343 PolarHBondContact O-N 2.94Å; G339-D343 VanDerWaalsContact O-N 3.08Å; G339-N397 VanDerWaalsContact CA-OD1 3.3Å; G339-N397 WeakPolarHBondContact CA-OD1 3.4Å; G339-M398 WeakPolarHBondContact CA-O 3.09Å
340	R	94.8	Very high	92	Very high	136 Å²	136	32.6 Å²	32.6	51%	0.513	16%	0.164	S	C	.	.	H	α-helix	trans	-61	-26.1	-166.2	-68.1	-61	-165.7	178.6	0.1	115.2	Y344 M398 L400 F405	R340-Y344 WeakPolarHBondContact O-CB 3.12Å; R340-Y344 PolarHBondContact O-N 3.25Å; R340-M398 HydrophobicContact CB-CE 3.98Å; R340-M398 PolarHBondContact N-O 3.27Å; R340-L400 WeakPolarHBondContact CB-O 3.29Å; R340-L400 WeakPolarHBondContact CG-O 3.44Å; R340-F405 HydrophobicContact CB-CZ 4.22Å
341	H	94.2	Very high	91.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-73.6	-38.5	173.7	57	-55.3	0	0	0	112	W313 S328 V330 T335 G338 G339 I345 M398 F405	W313-H341 HydrophobicContact CH2-CB 3.95Å; W313-H341 HydrophobicContact CZ3-CB 4.26Å; S328-H341 PolarHBondContact OG-NE2 3.26Å; V330-H341 WeakPolarHBondContact CG2-NE2 3.32Å; T335-H341 PolarHBondContact OG1-CE1 3.21Å; T335-H341 PolarHBondContact OG1-NE2 2.58Å; G338-H341 PolarHBondContact O-CE1 3.05Å; G339-H341 VanDerWaalsContact C-N 3.26Å; G339-H341 PolarHBondContact O-N 3.04Å; G339-H341 VanDerWaalsContact O-N 3.12Å; H341-I345 WeakPolarHBondContact O-CG1 3.26Å; H341-I345 PolarHBondContact O-N 3.39Å; H341-M398 HydrophobicContact CB-CE 3.75Å; H341-F405 HydrophobicContact CB-CE2 4.48Å; H341-F405 HydrophobicContact CB-CZ 4.26Å
342	V	95.3	Very high	91.4	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.024	21%	0.206	C	C	.	.	H	α-helix	trans	-67.4	-45	175.7	-174.2	0	0	0	0	110.6	F324 Q326 S328 G339 I345 T346 L381	F324-V342 HydrophobicContact CE1-CG1 4.26Å; F324-V342 HydrophobicContact CZ-CG1 3.74Å; Q326-V342 HydrophobicContact CB-CG1 4.13Å; Q326-V342 HydrophobicContact CG-CG1 4.49Å; S328-V342 WeakPolarHBondContact OG-CG2 3.45Å; G339-V342 WeakPolarHBondContact O-CB 3.46Å; G339-V342 PolarHBondContact O-N 3.22Å; V342-I345 PolarHBondContact O-N 2.92Å; V342-T346 HydrophobicContact CG1-CG2 4.24Å; V342-T346 WeakPolarHBondContact O-CB 3.29Å; V342-T346 WeakPolarHBondContact O-CG2 2.88Å; V342-T346 PolarHBondContact O-N 3.21Å; V342-T346 PolarHBondContact O-OG1 3.03Å; V342-L381 HydrophobicContact CB-CD1 4.46Å; V342-L381 HydrophobicContact CG2-CD1 4.2Å
343	D	93.3	Very high	91	Very high	59 Å²	59	41.9 Å²	41.9	32%	0.316	21%	0.205	S	C	.	.	H	α-helix	trans	-64.1	-45.9	176.1	-71.4	-34.3	0	0	0	111.8	G339 I345 T346 D347 K374	G339-D343 PolarHBondContact O-N 2.94Å; G339-D343 VanDerWaalsContact O-N 3.08Å; D343-I345 VanDerWaalsContact C-N 3.25Å; D343-I345 PolarHBondContact O-N 3.08Å; D343-T346 WeakPolarHBondContact CA-OG1 3.37Å; D343-T346 PolarHBondContact O-N 2.78Å; D343-T346 PolarHBondContact O-OG1 3.08Å; D343-D347 WeakPolarHBondContact O-CB 3.45Å; D343-D347 VanDerWaalsContact O-CG 3.29Å; D343-D347 PolarHBondContact O-N 3.03Å; D343-K374 IonicContact OD1-NZ 2.82Å; D343-K374 PolarHBondContact OD1-NZ 2.86Å
344	Y	94.1	Very high	90.7	Very high	59 Å²	59	42.7 Å²	42.7	23%	0.231	21%	0.21	C	C	.	.	H	α-helix	trans	-54.3	-37.4	177.5	172.7	-110.1	0	0	0	113.7	W313 R340 V348 P402 F405 C409	W313-Y344 HydrophobicContact CH2-CD1 4.29Å; R340-Y344 WeakPolarHBondContact O-CB 3.12Å; R340-Y344 PolarHBondContact O-N 3.25Å; Y344-V348 WeakPolarHBondContact O-CG2 3.06Å; Y344-P402 HydrophobicContact CD2-CB 3.85Å; Y344-P402 HydrophobicContact CD2-CG 4.23Å; Y344-P402 HydrophobicContact CE2-CB 4.45Å; Y344-P402 HydrophobicContact CG-CB 4.16Å; Y344-P402 HydrophobicContact CG-CG 4.34Å; Y344-F405 HydrophobicContact CD1-CD2 4.41Å; Y344-F405 AromaticContact CD1-CE2 3.94Å; Y344-F405 HydrophobicContact CD1-CE2 3.94Å; Y344-F405 HydrophobicContact CG-CE2 4.06Å; Y344-C409 HydrophobicContact CE1-CB 3.91Å; Y344-C409 PolarHBondContact OH-O 3.22Å
345	I	92.5	Very high	90.3	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.036	22%	0.218	C	C	.	.	H	α-helix	trans	-81.5	-47	175.4	-57.6	-60	0	0	0	111.6	W313 V315 H341 V342 D343 D347 V348 L349 L381 C409	W313-I345 HydrophobicContact CE3-CD1 4.19Å; W313-I345 HydrophobicContact CE3-CG1 4.43Å; W313-I345 HydrophobicContact CZ3-CD1 4.08Å; W313-I345 HydrophobicContact CZ3-CG1 4.01Å; V315-I345 HydrophobicContact CG1-CG2 4.05Å; H341-I345 WeakPolarHBondContact O-CG1 3.26Å; H341-I345 PolarHBondContact O-N 3.39Å; V342-I345 PolarHBondContact O-N 2.92Å; D343-I345 VanDerWaalsContact C-N 3.25Å; D343-I345 PolarHBondContact O-N 3.08Å; I345-D347 PolarHBondContact O-N 3.48Å; I345-V348 PolarHBondContact O-N 2.78Å; I345-L349 HydrophobicContact CG2-CD1 3.82Å; I345-L349 HydrophobicContact CG2-CG 4.31Å; I345-L349 WeakPolarHBondContact O-CG 3.5Å; I345-L349 PolarHBondContact O-N 2.82Å; I345-L349 VanDerWaalsContact O-N 3.14Å; I345-L381 HydrophobicContact CB-CD1 4.33Å; I345-L381 HydrophobicContact CB-CD2 4.24Å; I345-L381 HydrophobicContact CG1-CD1 4.09Å; I345-L381 HydrophobicContact CG1-CD2 3.95Å; I345-L381 HydrophobicContact CG2-CD2 4.07Å; I345-C409 HydrophobicContact CD1-CB 3.59Å; I345-C409 VanDerWaalsContact CD1-SG 3.53Å
346	T	92.3	Very high	89.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-38.2	-175.6	49.4	0	0	0	0	113.1	F324 V342 D343 V348 L349 V350 K374 V379	F324-T346 HydrophobicContact CE2-CG2 3.58Å; F324-T346 HydrophobicContact CZ-CG2 3.69Å; V342-T346 HydrophobicContact CG1-CG2 4.24Å; V342-T346 WeakPolarHBondContact O-CB 3.29Å; V342-T346 WeakPolarHBondContact O-CG2 2.88Å; V342-T346 PolarHBondContact O-N 3.21Å; V342-T346 PolarHBondContact O-OG1 3.03Å; D343-T346 WeakPolarHBondContact CA-OG1 3.37Å; D343-T346 PolarHBondContact O-N 2.78Å; D343-T346 PolarHBondContact O-OG1 3.08Å; T346-V348 PolarHBondContact O-N 2.74Å; T346-L349 PolarHBondContact O-N 3.23Å; T346-V350 WeakPolarHBondContact O-CB 3.32Å; T346-V350 WeakPolarHBondContact O-CG2 3.41Å; T346-V350 PolarHBondContact O-N 3.31Å; T346-K374 WeakPolarHBondContact OG1-CE 3.41Å; T346-K374 PolarHBondContact OG1-NZ 2.77Å; T346-V379 HydrophobicContact CG2-CG2 3.77Å
347	D	90.8	Very high	89	Confident	94 Å²	94	42.9 Å²	42.9	50%	0.503	21%	0.207	S	C	.	.	H	α-helix	trans	-65	-40.7	179.4	-68.4	-14.1	0	0	0	111.4	D343 I345 V350 E351 K374	D343-D347 WeakPolarHBondContact O-CB 3.45Å; D343-D347 VanDerWaalsContact O-CG 3.29Å; D343-D347 PolarHBondContact O-N 3.03Å; I345-D347 PolarHBondContact O-N 3.48Å; D347-V350 PolarHBondContact O-N 3.16Å; D347-E351 WeakPolarHBondContact O-CB 3.47Å; D347-E351 PolarHBondContact O-N 2.77Å; D347-K374 IonicContact OD1-NZ 3.46Å
348	V	89.6	Confident	88.4	Confident	56 Å²	56	42 Å²	42	34%	0.339	20%	0.203	S	C	.	.	H	α-helix	trans	-62.8	-42.3	175.2	172	0	0	0	0	111.3	Y344 I345 T346 K352	Y344-V348 WeakPolarHBondContact O-CG2 3.06Å; I345-V348 PolarHBondContact O-N 2.78Å; T346-V348 PolarHBondContact O-N 2.74Å; V348-K352 VanDerWaalsContact O-CG 3.3Å; V348-K352 WeakPolarHBondContact O-CG 3.5Å; V348-K352 PolarHBondContact O-N 3.48Å
349	L	89.7	Confident	87.6	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-68.3	-43.6	178.2	-64.3	173.2	0	0	0	111.9	V317 I345 T346 K352 I353 V411 F415 L416 M419	V317-L349 HydrophobicContact CG2-CD1 3.75Å; I345-L349 HydrophobicContact CG2-CD1 3.82Å; I345-L349 HydrophobicContact CG2-CG 4.31Å; I345-L349 WeakPolarHBondContact O-CG 3.5Å; I345-L349 PolarHBondContact O-N 2.82Å; I345-L349 VanDerWaalsContact O-N 3.14Å; T346-L349 PolarHBondContact O-N 3.23Å; L349-K352 PolarHBondContact O-N 2.77Å; L349-I353 PolarHBondContact O-N 3.19Å; L349-V411 HydrophobicContact CD2-CG2 4.26Å; L349-F415 HydrophobicContact CD2-CD1 4.26Å; L349-F415 HydrophobicContact CD2-CE1 3.83Å; L349-L416 HydrophobicContact CD2-CD2 4.06Å; L349-M419 HydrophobicContact CB-CE 3.85Å; L349-M419 HydrophobicContact CB-SD 4.19Å; L349-M419 HydrophobicContact CD1-CE 4.17Å; L349-M419 HydrophobicContact CD2-CE 4.36Å; L349-M419 HydrophobicContact CD2-SD 3.86Å; L349-M419 HydrophobicContact CG-CE 4.34Å; L349-M419 HydrophobicContact CG-SD 4.45Å
350	V	89.6	Confident	86.4	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.03	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-42.8	179.2	166.9	0	0	0	0	111.7	T346 D347 K352 I353 I354 P370 V373 K374 I377	T346-V350 WeakPolarHBondContact O-CB 3.32Å; T346-V350 WeakPolarHBondContact O-CG2 3.41Å; T346-V350 PolarHBondContact O-N 3.31Å; D347-V350 PolarHBondContact O-N 3.16Å; V350-K352 VanDerWaalsContact C-N 3.34Å; V350-K352 PolarHBondContact O-N 3.46Å; V350-I353 PolarHBondContact O-N 3.22Å; V350-I354 HydrophobicContact CG1-CD1 3.78Å; V350-I354 HydrophobicContact CG1-CG1 4.47Å; V350-I354 WeakPolarHBondContact O-CB 3.29Å; V350-I354 VanDerWaalsContact O-CG1 3.29Å; V350-I354 WeakPolarHBondContact O-CG1 3.45Å; V350-I354 PolarHBondContact O-N 3.16Å; V350-P370 HydrophobicContact CG1-CB 3.83Å; V350-V373 HydrophobicContact CG1-CB 4.17Å; V350-V373 HydrophobicContact CG1-CG1 4.49Å; V350-V373 HydrophobicContact CG2-CB 4.34Å; V350-V373 HydrophobicContact CG2-CG1 4.16Å; V350-K374 HydrophobicContact CG2-CB 4.01Å; V350-I377 HydrophobicContact CG2-CD1 3.9Å
351	E	88.2	Confident	85.1	Confident	112 Å²	112	48.2 Å²	48.2	52%	0.523	23%	0.233	S	C	.	.	H	α-helix	trans	-57.6	-46.6	175.4	-173.6	-171	-145.2	0	0	111.1	D347 I354 D355	D347-E351 WeakPolarHBondContact O-CB 3.47Å; D347-E351 PolarHBondContact O-N 2.77Å; E351-I354 PolarHBondContact O-N 3.45Å; E351-D355 PolarHBondContact O-N 3.17Å
352	K	84.4	Confident	83.3	Confident	86 Å²	86	56.5 Å²	56.5	37%	0.374	27%	0.269	S	S	.	.	H	α-helix	trans	-67.5	-40.5	-178.9	-64.1	-61.4	172.2	-150.2	0	113	V348 L349 V350 D355 V356 L416	V348-K352 VanDerWaalsContact O-CG 3.3Å; V348-K352 WeakPolarHBondContact O-CG 3.5Å; V348-K352 PolarHBondContact O-N 3.48Å; L349-K352 PolarHBondContact O-N 2.77Å; V350-K352 VanDerWaalsContact C-N 3.34Å; V350-K352 PolarHBondContact O-N 3.46Å; K352-D355 PolarHBondContact O-N 3.21Å; K352-V356 WeakPolarHBondContact O-CG2 3.43Å; K352-V356 PolarHBondContact O-N 3.44Å; K352-V356 VanDerWaalsContact O-N 3.11Å; K352-L416 HydrophobicContact CB-CD1 4.35Å; K352-L416 HydrophobicContact CB-CD2 3.97Å; K352-L416 HydrophobicContact CD-CD1 4.36Å; K352-L416 HydrophobicContact CG-CD1 3.94Å; K352-L416 HydrophobicContact CG-CD2 4.12Å
353	I	83.9	Confident	81.4	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-46.9	173.1	-69.8	168.4	0	0	0	110.3	L349 V350 D355 V356 V357 V373 I377 M419 I424 V425	L349-I353 PolarHBondContact O-N 3.19Å; V350-I353 PolarHBondContact O-N 3.22Å; I353-D355 VanDerWaalsContact C-N 3.25Å; I353-D355 PolarHBondContact O-N 2.91Å; I353-V356 PolarHBondContact O-N 3.37Å; I353-V356 VanDerWaalsContact O-N 3.08Å; I353-V357 HydrophobicContact CG2-CG2 4.03Å; I353-V357 WeakPolarHBondContact O-CG2 3.4Å; I353-V357 PolarHBondContact O-N 3.07Å; I353-V373 HydrophobicContact CB-CG1 3.9Å; I353-V373 HydrophobicContact CD1-CG1 3.73Å; I353-V373 HydrophobicContact CG1-CG1 4.43Å; I353-V373 HydrophobicContact CG2-CG1 3.69Å; I353-V373 HydrophobicContact CG2-CG2 4.34Å; I353-I377 HydrophobicContact CD1-CD1 4.19Å; I353-M419 HydrophobicContact CD1-CE 3.44Å; I353-M419 VanDerWaalsContact CD1-CE 3.44Å; I353-M419 HydrophobicContact CD1-CG 4.33Å; I353-M419 HydrophobicContact CD1-SD 3.8Å; I353-M419 HydrophobicContact CG1-CE 4.46Å; I353-M419 HydrophobicContact CG1-SD 4.23Å; I353-I424 HydrophobicContact CD1-CG2 3.87Å; I353-V425 HydrophobicContact CG2-CG2 4.22Å
354	I	84.6	Confident	79.6	Confident	19 Å²	19	65.5 Å²	65.5	10%	0.097	31%	0.312	C	S	.	.	H	α-helix	trans	-57.7	-40	179.3	-74.6	173.2	0	0	0	111.3	V350 E351 V357 K358 P370 V373	V350-I354 HydrophobicContact CG1-CD1 3.78Å; V350-I354 HydrophobicContact CG1-CG1 4.47Å; V350-I354 WeakPolarHBondContact O-CB 3.29Å; V350-I354 VanDerWaalsContact O-CG1 3.29Å; V350-I354 WeakPolarHBondContact O-CG1 3.45Å; V350-I354 PolarHBondContact O-N 3.16Å; E351-I354 PolarHBondContact O-N 3.45Å; I354-V357 PolarHBondContact O-N 3.03Å; I354-K358 HydrophobicContact CG2-CD 3.92Å; I354-K358 HydrophobicContact CG2-CG 4.21Å; I354-K358 VanDerWaalsContact O-CB 3.27Å; I354-K358 WeakPolarHBondContact O-CB 3.3Å; I354-K358 WeakPolarHBondContact O-CG 3.47Å; I354-K358 PolarHBondContact O-N 2.76Å; I354-P370 HydrophobicContact CD1-CB 4.34Å; I354-P370 HydrophobicContact CD1-CG 3.97Å; I354-V373 HydrophobicContact CD1-CG2 4.48Å; I354-V373 HydrophobicContact CG1-CG2 3.98Å
355	D	83.6	Confident	77.8	Confident	57 Å²	57	66 Å²	66	31%	0.305	34%	0.335	S	S	.	.	H	α-helix	trans	-72.3	-25.8	177.8	-90.1	10	0	0	0	114.5	E351 K352 I353 K358 K359	E351-D355 PolarHBondContact O-N 3.17Å; K352-D355 PolarHBondContact O-N 3.21Å; I353-D355 VanDerWaalsContact C-N 3.25Å; I353-D355 PolarHBondContact O-N 2.91Å; D355-K358 IonicContact OD1-NZ 3.77Å; D355-K358 PolarHBondContact OD1-NZ 3Å; D355-K359 VanDerWaalsContact O-CD 3.26Å; D355-K359 WeakPolarHBondContact O-CD 3.3Å; D355-K359 WeakPolarHBondContact O-CE 3.32Å; D355-K359 VanDerWaalsContact O-CG 3.24Å; D355-K359 WeakPolarHBondContact O-CG 3.44Å
356	V	79.3	Confident	76.1	Confident	40 Å²	40	69.1 Å²	69.1	24%	0.242	35%	0.352	C	S	.	.	H	α-helix	trans	-72.4	-48.5	168.3	173.6	0	0	0	0	110.3	K352 I353 K358 K359 Q360 T420	K352-V356 WeakPolarHBondContact O-CG2 3.43Å; K352-V356 PolarHBondContact O-N 3.44Å; K352-V356 VanDerWaalsContact O-N 3.11Å; I353-V356 PolarHBondContact O-N 3.37Å; I353-V356 VanDerWaalsContact O-N 3.08Å; V356-K358 PolarHBondContact O-N 3.22Å; V356-K359 WeakPolarHBondContact O-CA 3.35Å; V356-K359 WeakPolarHBondContact O-CB 3.31Å; V356-K359 PolarHBondContact O-N 3.25Å; V356-Q360 PolarHBondContact O-N 2.77Å; V356-Q360 VanDerWaalsContact O-N 3.14Å; V356-T420 HydrophobicContact CG1-CG2 3.87Å
357	V	75	Confident	74.7	Confident	6 Å²	6	74.5 Å²	74.5	4%	0.036	39%	0.385	C	S	.	.	H	α-helix	trans	-68.5	-36.2	-176.3	-179.5	0	0	0	0	111.8	I353 I354 K359 Q360 L361 I368 V425 Q429	I353-V357 HydrophobicContact CG2-CG2 4.03Å; I353-V357 WeakPolarHBondContact O-CG2 3.4Å; I353-V357 PolarHBondContact O-N 3.07Å; I354-V357 PolarHBondContact O-N 3.03Å; V357-K359 PolarHBondContact O-N 2.87Å; V357-Q360 PolarHBondContact O-N 3.25Å; V357-L361 HydrophobicContact CG1-CD1 3.46Å; V357-L361 VanDerWaalsContact CG1-CD1 3.46Å; V357-L361 HydrophobicContact CG1-CG 3.87Å; V357-L361 WeakPolarHBondContact O-CB 3.37Å; V357-L361 WeakPolarHBondContact O-CG 3.3Å; V357-L361 PolarHBondContact O-N 3.3Å; V357-I368 HydrophobicContact CG1-CD1 3.7Å; V357-V425 HydrophobicContact CG2-CG1 3.91Å; V357-V425 HydrophobicContact CG2-CG2 4.25Å; V357-Q429 HydrophobicContact CG1-CG 4.37Å
358	K	75.4	Confident	73.7	Confident	123 Å²	123	71.3 Å²	71.3	54%	0.535	37%	0.368	S	S	.	.	H	α-helix	trans	-58.8	-28.1	168.1	-78.6	168.9	-174.8	159.2	0	113.6	I354 D355 V356 K362	I354-K358 HydrophobicContact CG2-CD 3.92Å; I354-K358 HydrophobicContact CG2-CG 4.21Å; I354-K358 VanDerWaalsContact O-CB 3.27Å; I354-K358 WeakPolarHBondContact O-CB 3.3Å; I354-K358 WeakPolarHBondContact O-CG 3.47Å; I354-K358 PolarHBondContact O-N 2.76Å; D355-K358 IonicContact OD1-NZ 3.77Å; D355-K358 PolarHBondContact OD1-NZ 3Å; V356-K358 PolarHBondContact O-N 3.22Å; K358-K362 VanDerWaalsContact O-CG 3.28Å; K358-K362 WeakPolarHBondContact O-CG 3.48Å
359	K	75.2	Confident	73.2	Confident	146 Å²	146	76.1 Å²	76.1	64%	0.635	38%	0.379	S	S	*	.	H	α-helix	trans	-78.9	-36.6	176.6	-71.2	164.2	-172.4	168.3	0	111.2	D355 V356 V357	D355-K359 VanDerWaalsContact O-CD 3.26Å; D355-K359 WeakPolarHBondContact O-CD 3.3Å; D355-K359 WeakPolarHBondContact O-CE 3.32Å; D355-K359 VanDerWaalsContact O-CG 3.24Å; D355-K359 WeakPolarHBondContact O-CG 3.44Å; V356-K359 WeakPolarHBondContact O-CA 3.35Å; V356-K359 WeakPolarHBondContact O-CB 3.31Å; V356-K359 PolarHBondContact O-N 3.25Å; V357-K359 PolarHBondContact O-N 2.87Å
360	Q	69.6	Low	72.9	Confident	111 Å²	111	79.9 Å²	79.9	52%	0.519	40%	0.404	S	S	.	.	H	α-helix	trans	-72.8	-47.4	176.6	-68.7	172.1	-30.9	0	0	112.2	V356 V357 K362	V356-Q360 PolarHBondContact O-N 2.77Å; V356-Q360 VanDerWaalsContact O-N 3.14Å; V357-Q360 PolarHBondContact O-N 3.25Å; Q360-K362 PolarHBondContact O-N 3.35Å; Q360-K362 VanDerWaalsContact O-N 3.09Å
361	L	66.9	Low	72.7	Confident	24 Å²	24	85 Å²	85	13%	0.126	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-78.2	14.9	-175.1	-64.3	179.6	0	0	0	115.2	V357 K363 T364 G365 L366 I368	V357-L361 HydrophobicContact CG1-CD1 3.46Å; V357-L361 VanDerWaalsContact CG1-CD1 3.46Å; V357-L361 HydrophobicContact CG1-CG 3.87Å; V357-L361 WeakPolarHBondContact O-CB 3.37Å; V357-L361 WeakPolarHBondContact O-CG 3.3Å; V357-L361 PolarHBondContact O-N 3.3Å; L361-K363 VanDerWaalsContact C-N 3.27Å; L361-K363 PolarHBondContact O-N 2.97Å; L361-T364 PolarHBondContact O-N 3.1Å; L361-T364 PolarHBondContact O-OG1 3.14Å; L361-G365 PolarHBondContact O-N 3.04Å; L361-L366 HydrophobicContact CD1-CB 4.08Å; L361-I368 HydrophobicContact CD1-CD1 4.15Å
362	K	56.7	Low	72.2	Confident	173 Å²	173	81 Å²	81	75%	0.752	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-61	-30.6	-178.1	-77.6	-163.3	174.2	-175.1	0	114.3	K358 Q360 T364	K358-K362 VanDerWaalsContact O-CG 3.28Å; K358-K362 WeakPolarHBondContact O-CG 3.48Å; Q360-K362 PolarHBondContact O-N 3.35Å; Q360-K362 VanDerWaalsContact O-N 3.09Å; K362-T364 VanDerWaalsContact C-N 3.32Å
363	K	55.2	Low	72.2	Confident	169 Å²	169	77 Å²	77	74%	0.735	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-77.3	-8.4	175.6	-73.4	-158.5	177	-164.5	0	113.4	L361 D1336	L361-K363 VanDerWaalsContact C-N 3.27Å; L361-K363 PolarHBondContact O-N 2.97Å; K363-D1336 IonicContact NZ-OD1 2.65Å; K363-D1336 PolarHBondContact NZ-OD1 3.22Å
364	T	54.9	Low	72.4	Confident	83 Å²	83	78.5 Å²	78.5	51%	0.509	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	-3.1	-170.5	59.7	0	0	0	0	116.6	L361 K362 L366	L361-T364 PolarHBondContact O-N 3.1Å; L361-T364 PolarHBondContact O-OG1 3.14Å; K362-T364 VanDerWaalsContact C-N 3.32Å; T364-L366 PolarHBondContact O-N 3.24Å
365	G	55.6	Low	72.5	Confident	70 Å²	70	81 Å²	81	72%	0.722	41%	0.41	S	S	*	.			trans	68.9	1	172.4	0	0	0	0	0	116.7	L361 T367	L361-G365 PolarHBondContact O-N 3.04Å; G365-T367 PolarHBondContact O-N 2.89Å
366	L	56.9	Low	72.6	Confident	73 Å²	73	79.5 Å²	79.5	38%	0.382	40%	0.401	S	S	.	.			trans	-75.3	115.1	-175.4	-79.6	159.4	0	0	0	112.5	L361 T364	L361-L366 HydrophobicContact CD1-CB 4.08Å; T364-L366 PolarHBondContact O-N 3.24Å
367	T	63.4	Low	73.2	Confident	112 Å²	112	77.6 Å²	77.6	69%	0.687	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-90.8	126	173.1	56.3	0	0	0	0	110.9	G365 K432	G365-T367 PolarHBondContact O-N 2.89Å; T367-K432 PolarHBondContact O-NZ 3.1Å
368	I	69.7	Low	74	Confident	28 Å²	28	77.5 Å²	77.5	14%	0.144	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-97.9	143.5	175.5	-67	178.8	0	0	0	110.4	V357 L361 Q372 V373 Q429 K432	V357-I368 HydrophobicContact CG1-CD1 3.7Å; L361-I368 HydrophobicContact CD1-CD1 4.15Å; I368-Q372 HydrophobicContact CG2-CB 4.19Å; I368-V373 HydrophobicContact CG2-CG2 3.75Å; I368-Q429 HydrophobicContact CD1-CG 4.23Å; I368-K432 HydrophobicContact CG1-CD 4.37Å
369	R	79.6	Confident	74.9	Confident	156 Å²	156	71.7 Å²	71.7	59%	0.589	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-99	144.7	179.8	-68	-164.7	-85.9	-156.5	-2.6	111.4	F371 Q372	R369-F371 HydrophobicContact CB-CD1 3.91Å; R369-F371 HydrophobicContact CB-CE1 3.79Å; R369-F371 PolarHBondContact O-N 3Å; R369-Q372 HydrophobicContact CB-CG 4.32Å; R369-Q372 VanDerWaalsContact N-OE1 3.13Å; R369-Q372 WeakPolarHBondContact O-CB 3.49Å; R369-Q372 PolarHBondContact O-N 3.47Å
370	P	84.4	Confident	75.8	Confident	81 Å²	81	64.8 Å²	64.8	53%	0.526	33%	0.334	S	S	.	.	H	α-helix	trans	-47.4	-46.1	-176	-33	37.3	0	0	0	116.5	V350 I354 Q372 V373 K374	V350-P370 HydrophobicContact CG1-CB 3.83Å; I354-P370 HydrophobicContact CD1-CB 4.34Å; I354-P370 HydrophobicContact CD1-CG 3.97Å; P370-Q372 PolarHBondContact O-N 3.39Å; P370-V373 PolarHBondContact O-N 3.04Å; P370-V373 VanDerWaalsContact O-N 3.08Å; P370-K374 PolarHBondContact O-N 2.86Å
371	F	83.7	Confident	77	Confident	112 Å²	112	59.6 Å²	59.6	49%	0.491	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-30.1	-179.9	80.2	-92.6	0	0	0	113.2	R369 V373 K374 N375	R369-F371 HydrophobicContact CB-CD1 3.91Å; R369-F371 HydrophobicContact CB-CE1 3.79Å; R369-F371 PolarHBondContact O-N 3Å; F371-V373 VanDerWaalsContact C-N 3.28Å; F371-V373 PolarHBondContact O-N 3.43Å; F371-K374 PolarHBondContact O-N 3.41Å; F371-N375 WeakPolarHBondContact O-CB 3.39Å; F371-N375 PolarHBondContact O-N 3.03Å; F371-N375 PolarHBondContact O-OD1 3.01Å
372	Q	77.6	Confident	78.4	Confident	29 Å²	29	59 Å²	59	14%	0.136	31%	0.307	C	S	.	.	H	α-helix	trans	-69.6	-29.9	-179.9	-55.3	-173.1	-95.1	0	0	111.7	I368 R369 P370 H376	I368-Q372 HydrophobicContact CG2-CB 4.19Å; R369-Q372 HydrophobicContact CB-CG 4.32Å; R369-Q372 VanDerWaalsContact N-OE1 3.13Å; R369-Q372 WeakPolarHBondContact O-CB 3.49Å; R369-Q372 PolarHBondContact O-N 3.47Å; P370-Q372 PolarHBondContact O-N 3.39Å; Q372-H376 PolarHBondContact O-CD2 2.71Å
373	V	85.6	Confident	80.2	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-82.4	-44.7	174	-178.1	0	0	0	0	110.1	V350 I353 I354 I368 P370 F371 N375 H376 I377 A428	V350-V373 HydrophobicContact CG1-CB 4.17Å; V350-V373 HydrophobicContact CG1-CG1 4.49Å; V350-V373 HydrophobicContact CG2-CB 4.34Å; V350-V373 HydrophobicContact CG2-CG1 4.16Å; I353-V373 HydrophobicContact CB-CG1 3.9Å; I353-V373 HydrophobicContact CD1-CG1 3.73Å; I353-V373 HydrophobicContact CG1-CG1 4.43Å; I353-V373 HydrophobicContact CG2-CG1 3.69Å; I353-V373 HydrophobicContact CG2-CG2 4.34Å; I354-V373 HydrophobicContact CD1-CG2 4.48Å; I354-V373 HydrophobicContact CG1-CG2 3.98Å; I368-V373 HydrophobicContact CG2-CG2 3.75Å; P370-V373 PolarHBondContact O-N 3.04Å; P370-V373 VanDerWaalsContact O-N 3.08Å; F371-V373 VanDerWaalsContact C-N 3.28Å; F371-V373 PolarHBondContact O-N 3.43Å; V373-N375 PolarHBondContact O-N 2.88Å; V373-H376 PolarHBondContact O-N 3.04Å; V373-I377 HydrophobicContact CG1-CD1 4.15Å; V373-I377 WeakPolarHBondContact O-CG1 3.38Å; V373-A428 HydrophobicContact CG2-CB 4.42Å
374	K	87.9	Confident	82	Confident	35 Å²	35	44.4 Å²	44.4	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-55	-37.9	177.1	-166	155.7	174.3	160.7	0	111.5	F324 D343 T346 D347 V350 P370 F371 H376 I377	F324-K374 HydrophobicContact CB-CG 4.32Å; F324-K374 WeakPolarHBondContact CB-O 3.49Å; F324-K374 HydrophobicContact CD1-CG 4.46Å; F324-K374 HydrophobicContact CD2-CG 3.7Å; F324-K374 VanDerWaalsContact CD2-O 3.28Å; F324-K374 WeakPolarHBondContact CD2-O 3.49Å; F324-K374 HydrophobicContact CE2-CG 4.15Å; F324-K374 HydrophobicContact CG-CG 3.88Å; D343-K374 IonicContact OD1-NZ 2.82Å; D343-K374 PolarHBondContact OD1-NZ 2.86Å; T346-K374 WeakPolarHBondContact OG1-CE 3.41Å; T346-K374 PolarHBondContact OG1-NZ 2.77Å; D347-K374 IonicContact OD1-NZ 3.46Å; V350-K374 HydrophobicContact CG2-CB 4.01Å; P370-K374 PolarHBondContact O-N 2.86Å; F371-K374 PolarHBondContact O-N 3.41Å; K374-H376 PolarHBondContact O-N 2.96Å; K374-H376 VanDerWaalsContact O-N 3.16Å; K374-I377 PolarHBondContact O-N 3.29Å
375	N	86.6	Confident	83.8	Confident	70 Å²	70	40.5 Å²	40.5	37%	0.374	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-7.2	178.6	-76.6	6.6	0	0	0	116.4	G323 F371 V373	G323-N375 CarbonylContact C-O 3.51Å; G323-N375 WeakPolarHBondContact CA-O 3.38Å; F371-N375 WeakPolarHBondContact O-CB 3.39Å; F371-N375 PolarHBondContact O-N 3.03Å; F371-N375 PolarHBondContact O-OD1 3.01Å; V373-N375 PolarHBondContact O-N 2.88Å
376	H	86.4	Confident	85.6	Confident	26 Å²	26	38.2 Å²	38.2	12%	0.12	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	10.9	175.9	-73.4	-61.3	0	0	0	113.5	S320 Q372 V373 K374 I424 N431	S320-H376 PolarHBondContact N-O 3.18Å; S320-H376 PolarHBondContact O-ND1 2.82Å; Q372-H376 PolarHBondContact O-CD2 2.71Å; V373-H376 PolarHBondContact O-N 3.04Å; K374-H376 PolarHBondContact O-N 2.96Å; K374-H376 VanDerWaalsContact O-N 3.16Å; H376-I424 HydrophobicContact CB-CG2 4.48Å; H376-N431 PolarHBondContact CE1-ND2 3.2Å; H376-N431 PolarHBondContact NE2-ND2 3.26Å
377	I	90.1	Very high	87.1	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.1	-178.1	-56.1	170.8	0	0	0	109.1	V317 F324 Q325 V350 I353 V373 K374 V379 M419 I424	V317-I377 HydrophobicContact CG1-CG2 3.97Å; V317-I377 HydrophobicContact CG2-CG2 4.46Å; F324-I377 WeakPolarHBondContact CD2-O 3.16Å; Q325-I377 PolarHBondContact N-O 2.95Å; V350-I377 HydrophobicContact CG2-CD1 3.9Å; I353-I377 HydrophobicContact CD1-CD1 4.19Å; V373-I377 HydrophobicContact CG1-CD1 4.15Å; V373-I377 WeakPolarHBondContact O-CG1 3.38Å; K374-I377 PolarHBondContact O-N 3.29Å; I377-V379 HydrophobicContact CG2-CG2 3.39Å; I377-M419 HydrophobicContact CD1-CE 3.74Å; I377-M419 HydrophobicContact CG1-CE 4.08Å; I377-M419 HydrophobicContact CG2-CE 4.2Å; I377-I424 HydrophobicContact CG1-CG2 4.03Å
378	W	92.3	Very high	88.3	Confident	4 Å²	4	30.6 Å²	30.6	2%	0.015	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.9	161.5	-164.4	-13	0	0	0	108.5	W77 Y290 V317 T318 Q325 F380	W77-W378 AromaticContact CH2-CH2 3.46Å; W77-W378 HydrophobicContact CH2-CH2 3.46Å; W77-W378 VanDerWaalsContact CH2-CH2 3.46Å; W77-W378 AromaticContact CH2-CZ2 3.68Å; W77-W378 HydrophobicContact CH2-CZ2 3.68Å; W77-W378 AromaticContact CZ2-CH2 3.67Å; W77-W378 HydrophobicContact CZ2-CH2 3.67Å; W77-W378 AromaticContact CZ2-CZ2 3.43Å; W77-W378 HydrophobicContact CZ2-CZ2 3.43Å; W77-W378 VanDerWaalsContact CZ2-CZ2 3.43Å; W77-W378 HydrophobicContact CZ3-CH2 4.47Å; Y290-W378 HydrophobicContact CD1-CH2 4.37Å; Y290-W378 AromaticContact CD1-CZ2 3.86Å; Y290-W378 HydrophobicContact CD1-CZ2 3.86Å; Y290-W378 HydrophobicContact CG-CZ2 4.3Å; V317-W378 WeakPolarHBondContact CA-O 3.4Å; T318-W378 HydrophobicContact CG2-CB 3.85Å; T318-W378 HydrophobicContact CG2-CD2 4.26Å; T318-W378 HydrophobicContact CG2-CE3 3.95Å; T318-W378 HydrophobicContact CG2-CG 4.27Å; T318-W378 PolarHBondContact N-O 3.47Å; T318-W378 PolarHBondContact O-N 3.18Å; Q325-W378 HydrophobicContact CB-CB 4.24Å; Q325-W378 HydrophobicContact CB-CD2 4.19Å; Q325-W378 HydrophobicContact CB-CG 3.72Å; Q325-W378 WeakPolarHBondContact O-CA 3.48Å; W378-F380 AromaticContact CD1-CE2 3.65Å; W378-F380 AromaticContact CD1-CZ 3.92Å; W378-F380 AromaticContact CD2-CE2 3.95Å; W378-F380 HydrophobicContact CD2-CE2 3.95Å; W378-F380 HydrophobicContact CD2-CZ 4Å; W378-F380 AromaticContact CE2-CE2 3.79Å; W378-F380 AromaticContact CE2-CZ 3.38Å; W378-F380 AromaticContact CG-CE2 3.87Å; W378-F380 HydrophobicContact CG-CE2 3.87Å; W378-F380 HydrophobicContact CG-CZ 4.3Å; W378-F380 HydrophobicContact CH2-CZ 4.37Å; W378-F380 HydrophobicContact CZ2-CE1 4.36Å; W378-F380 HydrophobicContact CZ2-CE2 4.4Å; W378-F380 AromaticContact CZ2-CZ 3.61Å; W378-F380 HydrophobicContact CZ2-CZ 3.61Å; W378-F380 AromaticContact NE1-CE1 3.96Å; W378-F380 AromaticContact NE1-CE2 3.6Å; W378-F380 AromaticContact NE1-CZ 3.35Å; W378-F380 VanDerWaalsContact NE1-CZ 3.35Å
379	V	94.1	Very high	89.3	Confident	2 Å²	2	32 Å²	32	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.9	-179.9	-168.6	0	0	0	0	111.6	A316 V317 F324 Q325 Q326 V327 T346 I377 L381	A316-V379 WeakPolarHBondContact O-CA 3.36Å; V317-V379 HydrophobicContact CG2-CG2 4.49Å; F324-V379 HydrophobicContact CE2-CG2 4.18Å; Q325-V379 PolarHBondContact O-N 2.82Å; Q326-V379 CarbonylContact C-O 3.53Å; Q326-V379 WeakPolarHBondContact CA-O 3.45Å; V327-V379 PolarHBondContact N-O 3.35Å; T346-V379 HydrophobicContact CG2-CG2 3.77Å; I377-V379 HydrophobicContact CG2-CG2 3.39Å; V379-L381 HydrophobicContact CG1-CD1 4.44Å; V379-L381 HydrophobicContact CG1-CD2 3.74Å; V379-L381 HydrophobicContact CG1-CG 3.84Å
380	F	95.2	Very high	89.8	Confident	1 Å²	1	26.1 Å²	26.1	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.3	169	-61.2	-101.1	0	0	0	109.3	F283 I287 Y290 A316 T318 V327 W378	F283-F380 HydrophobicContact CE1-CB 4.04Å; F283-F380 HydrophobicContact CZ-CB 3.99Å; I287-F380 HydrophobicContact CB-CD1 4.4Å; I287-F380 HydrophobicContact CB-CG 4.49Å; I287-F380 HydrophobicContact CD1-CB 3.93Å; I287-F380 HydrophobicContact CD1-CG 4.38Å; I287-F380 HydrophobicContact CG1-CB 3.81Å; I287-F380 HydrophobicContact CG1-CD1 3.8Å; I287-F380 HydrophobicContact CG1-CG 3.8Å; I287-F380 HydrophobicContact CG2-CD1 4.16Å; I287-F380 HydrophobicContact CG2-CD2 3.88Å; I287-F380 HydrophobicContact CG2-CE1 4.22Å; I287-F380 HydrophobicContact CG2-CE2 3.95Å; I287-F380 HydrophobicContact CG2-CG 3.99Å; I287-F380 HydrophobicContact CG2-CZ 4.12Å; Y290-F380 HydrophobicContact CD1-CE1 4.18Å; Y290-F380 HydrophobicContact CD1-CZ 4.5Å; Y290-F380 AromaticContact CD2-CE1 3.68Å; Y290-F380 HydrophobicContact CD2-CE1 3.68Å; Y290-F380 HydrophobicContact CD2-CZ 4.36Å; Y290-F380 HydrophobicContact CE2-CE1 4.18Å; Y290-F380 AromaticContact CG-CE1 3.67Å; Y290-F380 HydrophobicContact CG-CE1 3.67Å; Y290-F380 AromaticContact CG-CZ 3.98Å; Y290-F380 HydrophobicContact CG-CZ 3.98Å; A316-F380 HydrophobicContact CB-CB 4.25Å; A316-F380 PolarHBondContact N-O 3.05Å; A316-F380 PolarHBondContact O-N 2.83Å; T318-F380 HydrophobicContact CG2-CE2 4.32Å; V327-F380 HydrophobicContact CB-CD1 3.69Å; V327-F380 HydrophobicContact CB-CE1 3.99Å; V327-F380 HydrophobicContact CG1-CD1 4.18Å; V327-F380 HydrophobicContact CG2-CD1 4.14Å; V327-F380 HydrophobicContact CG2-CE1 3.91Å; V327-F380 CarbonylContact O-C 3.57Å; V327-F380 VanDerWaalsContact O-CA 3.29Å; V327-F380 WeakPolarHBondContact O-CA 3.38Å; W378-F380 AromaticContact CD1-CE2 3.65Å; W378-F380 AromaticContact CD1-CZ 3.92Å; W378-F380 AromaticContact CD2-CE2 3.95Å; W378-F380 HydrophobicContact CD2-CE2 3.95Å; W378-F380 HydrophobicContact CD2-CZ 4Å; W378-F380 AromaticContact CE2-CE2 3.79Å; W378-F380 AromaticContact CE2-CZ 3.38Å; W378-F380 AromaticContact CG-CE2 3.87Å; W378-F380 HydrophobicContact CG-CE2 3.87Å; W378-F380 HydrophobicContact CG-CZ 4.3Å; W378-F380 HydrophobicContact CH2-CZ 4.37Å; W378-F380 HydrophobicContact CZ2-CE1 4.36Å; W378-F380 HydrophobicContact CZ2-CE2 4.4Å; W378-F380 AromaticContact CZ2-CZ 3.61Å; W378-F380 HydrophobicContact CZ2-CZ 3.61Å; W378-F380 AromaticContact NE1-CE1 3.96Å; W378-F380 AromaticContact NE1-CE2 3.6Å; W378-F380 AromaticContact NE1-CZ 3.35Å; W378-F380 VanDerWaalsContact NE1-CZ 3.35Å
381	L	95.4	Very high	89.9	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132.2	-179.3	-59.6	178.3	0	0	0	111.7	F283 V315 V327 S328 F329 V342 I345 V379	F283-L381 VanDerWaalsContact CZ-C 3.42Å; V315-L381 HydrophobicContact CB-CD2 4.2Å; V315-L381 HydrophobicContact CG1-CD2 3.91Å; V315-L381 HydrophobicContact CG2-CD2 3.86Å; V327-L381 PolarHBondContact O-N 2.81Å; S328-L381 CarbonylContact C-O 3.53Å; S328-L381 VanDerWaalsContact CA-O 3.31Å; S328-L381 WeakPolarHBondContact CA-O 3.29Å; F329-L381 PolarHBondContact N-O 3.28Å; V342-L381 HydrophobicContact CB-CD1 4.46Å; V342-L381 HydrophobicContact CG2-CD1 4.2Å; I345-L381 HydrophobicContact CB-CD1 4.33Å; I345-L381 HydrophobicContact CB-CD2 4.24Å; I345-L381 HydrophobicContact CG1-CD1 4.09Å; I345-L381 HydrophobicContact CG1-CD2 3.95Å; I345-L381 HydrophobicContact CG2-CD2 4.07Å; V379-L381 HydrophobicContact CG1-CD1 4.44Å; V379-L381 HydrophobicContact CG1-CD2 3.74Å; V379-L381 HydrophobicContact CG1-CG 3.84Å
382	N	95.2	Very high	89.8	Confident	12 Å²	12	23.5 Å²	23.5	6%	0.064	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.6	161.7	-173.8	29.9	0	0	0	108.1	T265 F283 E314	T265-N382 PolarHBondContact O-ND2 3.15Å; F283-N382 HydrophobicContact CD1-CB 3.85Å; F283-N382 HydrophobicContact CD2-CB 3.92Å; F283-N382 HydrophobicContact CE1-CB 3.87Å; F283-N382 HydrophobicContact CE2-CB 3.96Å; F283-N382 HydrophobicContact CG-CB 3.89Å; F283-N382 HydrophobicContact CZ-CB 3.93Å; E314-N382 HydrophobicContact CB-CB 4.24Å; E314-N382 PolarHBondContact N-O 3.09Å; E314-N382 PolarHBondContact O-N 3.1Å; E314-N382 PolarHBondContact OE2-ND2 2.79Å
383	C	94.4	Very high	89.8	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.007	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	148.9	-176.8	67.4	0	0	0	0	114.5	R312 W313 F329 V330 N331 I385	R312-C383 CarbonylContact O-C 3.57Å; R312-C383 WeakPolarHBondContact O-CA 3.31Å; W313-C383 HydrophobicContact CD2-CB 3.79Å; W313-C383 HydrophobicContact CE3-CB 3.57Å; W313-C383 HydrophobicContact CG-CB 4.47Å; W313-C383 HydrophobicContact CH2-CB 4.1Å; W313-C383 HydrophobicContact CZ2-CB 4.28Å; W313-C383 HydrophobicContact CZ3-CB 3.75Å; F329-C383 PolarHBondContact O-N 3.47Å; F329-C383 PolarHBondContact O-SG 3.09Å; V330-C383 WeakPolarHBondContact CA-O 3.25Å; N331-C383 PolarHBondContact N-O 3.46Å; C383-I385 HydrophobicContact CB-CD1 4.44Å
384	L	93.3	Very high	89.4	Confident	34 Å²	34	24.2 Å²	24.2	18%	0.178	13%	0.13	C	C	.	.			trans	-109.1	114	174.8	-60.3	178.5	0	0	0	109.4	V174 R312 N331	V174-L384 HydrophobicContact CB-CB 4.24Å; V174-L384 HydrophobicContact CG1-CB 4.26Å; R312-L384 HydrophobicContact CB-CB 3.92Å; R312-L384 WeakPolarHBondContact CD-O 3.46Å; R312-L384 HydrophobicContact CG-CB 3.95Å; R312-L384 PolarHBondContact O-N 2.89Å; N331-L384 VanDerWaalsContact OD1-CA 3.31Å; N331-L384 WeakPolarHBondContact OD1-CA 3.25Å
385	I	93.2	Very high	89.3	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.			trans	-114	134.1	-172.9	-58.2	-61.5	0	0	0	108.9	W313 V330 N331 C383 N387 P388 M398 L400 F405	W313-I385 HydrophobicContact CH2-CD1 4.01Å; W313-I385 HydrophobicContact CZ2-CD1 3.6Å; V330-I385 HydrophobicContact CG1-CB 3.97Å; V330-I385 HydrophobicContact CG1-CG1 3.79Å; N331-I385 PolarHBondContact ND2-O 3.47Å; N331-I385 PolarHBondContact OD1-N 2.88Å; N331-I385 PolarHBondContact OD1-O 3.28Å; C383-I385 HydrophobicContact CB-CD1 4.44Å; I385-N387 PolarHBondContact O-N 2.8Å; I385-P388 HydrophobicContact CB-CB 4.37Å; I385-P388 HydrophobicContact CG2-CB 4.01Å; I385-M398 HydrophobicContact CG1-SD 4.12Å; I385-M398 HydrophobicContact CG2-SD 4.18Å; I385-L400 HydrophobicContact CG2-CD2 3.64Å; I385-F405 HydrophobicContact CD1-CB 3.95Å; I385-F405 HydrophobicContact CD1-CD1 4.12Å; I385-F405 HydrophobicContact CD1-CD2 4.27Å; I385-F405 HydrophobicContact CD1-CG 3.88Å; I385-F405 HydrophobicContact CG2-CD1 4.26Å
386	E	92.1	Very high	89.3	Confident	23 Å²	23	21.3 Å²	21.3	11%	0.107	12%	0.115	C	C	.	.	S	Bend	trans	-72.8	124.3	174.9	-71.3	175.9	-179.7	0	0	110.6	R172 V174 R312 G406	R172-E386 HydrophobicContact CB-CB 4.28Å; R172-E386 HydrophobicContact CB-CG 4Å; R172-E386 WeakPolarHBondContact CD-OE2 3.35Å; R172-E386 IonicContact CZ-OE2 2.8Å; R172-E386 IonicContact NE-OE2 2.78Å; R172-E386 IonicContact NH1-OE2 2.67Å; R172-E386 PolarHBondContact NH1-OE2 3.4Å; V174-E386 HydrophobicContact CG1-CG 4.24Å; R312-E386 IonicContact CZ-OE1 2.73Å; R312-E386 VanDerWaalsContact CZ-OE1 3.24Å; R312-E386 VanDerWaalsContact NH1-CD 3.34Å; R312-E386 IonicContact NH1-OE1 2.78Å; R312-E386 PolarHBondContact NH1-OE1 3.08Å; R312-E386 IonicContact NH2-OE1 3.19Å; R312-E386 PolarHBondContact NH2-OE1 2.88Å; E386-G406 VanDerWaalsContact CD-CA 3.43Å; E386-G406 WeakPolarHBondContact OE2-CA 3.34Å
387	N	88.7	Confident	89.6	Confident	22 Å²	22	22.1 Å²	22.1	12%	0.118	12%	0.12	C	C	.	.	S	Bend	trans	44.4	57.3	174.8	-64.1	-7.2	0	0	0	114	D169 E171 K173 I385	D169-N387 PolarHBondContact O-ND2 3.46Å; D169-N387 PolarHBondContact OD1-ND2 3.28Å; E171-N387 PolarHBondContact O-ND2 2.92Å; E171-N387 VanDerWaalsContact O-ND2 3.17Å; K173-N387 PolarHBondContact N-OD1 3.28Å; K173-N387 PolarHBondContact O-N 3.1Å; K173-N387 PolarHBondContact O-OD1 3.46Å; I385-N387 PolarHBondContact O-N 2.8Å
388	P	90.1	Very high	89.8	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.013	12%	0.12	C	C	.	.			trans	-62.5	148.6	-172.4	27.7	-36.8	0	0	0	113.1	R178 V330 N331 I385 F390 M398	R178-P388 PolarHBondContact NE-O 3Å; V330-P388 HydrophobicContact CG1-CB 4.02Å; V330-P388 HydrophobicContact CG1-CG 4.3Å; N331-P388 WeakPolarHBondContact ND2-CG 3Å; I385-P388 HydrophobicContact CB-CB 4.37Å; I385-P388 HydrophobicContact CG2-CB 4.01Å; P388-F390 HydrophobicContact CB-CE2 3.91Å; P388-F390 HydrophobicContact CB-CZ 3.99Å; P388-F390 HydrophobicContact CG-CE2 3.97Å; P388-F390 HydrophobicContact CG-CZ 4.18Å; P388-M398 HydrophobicContact CB-SD 4.44Å
389	T	90.3	Very high	89.9	Confident	57 Å²	57	24.6 Å²	24.6	35%	0.35	14%	0.136	S	C	.	.			trans	-113.9	146.6	171.3	64.3	0	0	0	0	110.2	M398 T399 L400	T389-M398 VanDerWaalsContact O-CG 3.24Å; T389-M398 WeakPolarHBondContact O-CG 3.12Å; T389-T399 VanDerWaalsContact C-OG1 3.25Å; T389-T399 WeakPolarHBondContact CB-OG1 3.4Å; T389-T399 PolarHBondContact O-N 2.57Å; T389-T399 PolarHBondContact O-OG1 3.23Å; T389-T399 PolarHBondContact OG1-OG1 3.44Å; T389-L400 HydrophobicContact CG2-CD1 4.22Å; T389-L400 WeakPolarHBondContact OG1-CA 3.38Å; T389-L400 PolarHBondContact OG1-N 2.89Å; T389-L400 VanDerWaalsContact OG1-N 3.14Å
390	F	89	Confident	89.8	Confident	33 Å²	33	25.4 Å²	25.4	15%	0.145	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-127	171.9	179	-57.4	-88.2	0	0	0	109.4	V330 I333 T335 P388 K395 N397 M398 T399	V330-F390 HydrophobicContact CG1-CZ 4.21Å; I333-F390 HydrophobicContact CD1-CE2 4.01Å; I333-F390 HydrophobicContact CD1-CZ 3.66Å; T335-F390 HydrophobicContact CG2-CE1 3.9Å; P388-F390 HydrophobicContact CB-CE2 3.91Å; P388-F390 HydrophobicContact CB-CZ 3.99Å; P388-F390 HydrophobicContact CG-CE2 3.97Å; P388-F390 HydrophobicContact CG-CZ 4.18Å; F390-K395 HydrophobicContact CB-CB 4.37Å; F390-K395 HydrophobicContact CD1-CB 3.77Å; F390-K395 VanDerWaalsContact CD1-O 3.23Å; F390-K395 WeakPolarHBondContact CD1-O 3.23Å; F390-K395 HydrophobicContact CD2-CB 3.9Å; F390-K395 HydrophobicContact CD2-CD 4.41Å; F390-K395 HydrophobicContact CD2-CG 3.91Å; F390-K395 HydrophobicContact CE1-CB 3.98Å; F390-K395 WeakPolarHBondContact CE1-O 3.36Å; F390-K395 HydrophobicContact CE2-CB 4.11Å; F390-K395 HydrophobicContact CE2-CD 4.29Å; F390-K395 HydrophobicContact CE2-CG 4.22Å; F390-K395 HydrophobicContact CG-CB 3.74Å; F390-K395 HydrophobicContact CG-CG 4.14Å; F390-K395 HydrophobicContact CZ-CB 4.15Å; F390-N397 VanDerWaalsContact CA-O 3.25Å; F390-N397 WeakPolarHBondContact CA-O 3.41Å; F390-N397 WeakPolarHBondContact CB-O 3.42Å; F390-N397 WeakPolarHBondContact CD1-O 3.43Å; F390-M398 HydrophobicContact CD1-CB 4.09Å; F390-M398 HydrophobicContact CD1-CG 4.34Å; F390-M398 HydrophobicContact CE1-CB 4.01Å; F390-M398 HydrophobicContact CE1-CG 4.11Å; F390-T399 PolarHBondContact N-OG1 3.4Å; F390-T399 PolarHBondContact O-OG1 3Å
391	D	86.2	Confident	89.7	Confident	87 Å²	87	28.8 Å²	28.8	47%	0.465	16%	0.162	S	C	.	.	S	Bend	trans	-79.3	-21.3	174.7	60.9	2	0	0	0	113.5	N397 T399	D391-N397 PolarHBondContact N-O 3.37Å; D391-N397 WeakPolarHBondContact OD2-CB 3.31Å; D391-N397 PolarHBondContact OD2-ND2 3Å; D391-T399 HydrophobicContact CB-CG2 3.96Å
392	S	82.8	Confident	89.4	Confident	51 Å²	51	31.1 Å²	31.1	36%	0.357	18%	0.177	S	C	.	.	S	Bend	trans	-155.8	164.5	-166.4	58.9	0	0	0	0	111.7	T394 K395	S392-T394 PolarHBondContact O-N 2.83Å; S392-T394 PolarHBondContact OG-OG1 3.11Å; S392-T394 VanDerWaalsContact OG-OG1 3.12Å; S392-K395 PolarHBondContact O-N 3.31Å
393	Q	77.9	Confident	89.3	Confident	24 Å²	24	40.5 Å²	40.5	11%	0.112	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-12.8	179.2	-179.3	55	51.6	0	0	113.4	Y65 N179 K395	Y65-Q393 WeakPolarHBondContact O-CG 3.17Å; N179-Q393 PolarHBondContact ND2-OE1 3.44Å; Q393-K395 VanDerWaalsContact C-N 3.28Å
394	T	76.3	Confident	89.1	Confident	22 Å²	22	43.5 Å²	43.5	14%	0.135	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-25.2	171.1	65	0	0	0	0	112.1	K99 S392 E396	K99-T394 WeakPolarHBondContact CE-O 3.26Å; K99-T394 PolarHBondContact NZ-O 3.48Å; S392-T394 PolarHBondContact O-N 2.83Å; S392-T394 PolarHBondContact OG-OG1 3.11Å; S392-T394 VanDerWaalsContact OG-OG1 3.12Å; T394-E396 VanDerWaalsContact C-N 3.35Å; T394-E396 WeakPolarHBondContact CB-OE1 3.2Å; T394-E396 VanDerWaalsContact OG1-CD 3.27Å; T394-E396 WeakPolarHBondContact OG1-CG 3.38Å; T394-E396 PolarHBondContact OG1-OE1 3.11Å
395	K	86.3	Confident	89.1	Confident	5 Å²	5	41.9 Å²	41.9	2%	0.022	23%	0.23	C	C	.	.			trans	67.2	25.6	177.4	-47.6	173.1	-159.4	158.5	0	114.9	E103 G176 I333 F390 S392 Q393	E103-K395 VanDerWaalsContact OE1-CE 3.26Å; E103-K395 WeakPolarHBondContact OE1-CE 3.36Å; E103-K395 IonicContact OE1-NZ 3.57Å; E103-K395 PolarHBondContact OE1-NZ 3.01Å; E103-K395 IonicContact OE2-NZ 2.69Å; E103-K395 PolarHBondContact OE2-NZ 3.49Å; G176-K395 PolarHBondContact O-NZ 3.33Å; I333-K395 HydrophobicContact CD1-CB 4.32Å; I333-K395 HydrophobicContact CD1-CD 3.58Å; I333-K395 HydrophobicContact CG1-CD 4.37Å; I333-K395 HydrophobicContact CG2-CB 3.81Å; F390-K395 HydrophobicContact CB-CB 4.37Å; F390-K395 HydrophobicContact CD1-CB 3.77Å; F390-K395 VanDerWaalsContact CD1-O 3.23Å; F390-K395 WeakPolarHBondContact CD1-O 3.23Å; F390-K395 HydrophobicContact CD2-CB 3.9Å; F390-K395 HydrophobicContact CD2-CD 4.41Å; F390-K395 HydrophobicContact CD2-CG 3.91Å; F390-K395 HydrophobicContact CE1-CB 3.98Å; F390-K395 WeakPolarHBondContact CE1-O 3.36Å; F390-K395 HydrophobicContact CE2-CB 4.11Å; F390-K395 HydrophobicContact CE2-CD 4.29Å; F390-K395 HydrophobicContact CE2-CG 4.22Å; F390-K395 HydrophobicContact CG-CB 3.74Å; F390-K395 HydrophobicContact CG-CG 4.14Å; F390-K395 HydrophobicContact CZ-CB 4.15Å; S392-K395 PolarHBondContact O-N 3.31Å; Q393-K395 VanDerWaalsContact C-N 3.28Å
396	E	87	Confident	88.9	Confident	39 Å²	39	43.5 Å²	43.5	18%	0.182	25%	0.247	C	C	.	.			trans	-76.7	-20.5	-174.8	-65.6	165.6	-169.4	0	0	114.5	T335 V336 K337 G338 T394	T335-E396 CarbonylContact C-O 3.59Å; T335-E396 WeakPolarHBondContact CA-O 3.26Å; T335-E396 WeakPolarHBondContact CB-O 3.35Å; V336-E396 HydrophobicContact CG2-CB 3.86Å; V336-E396 HydrophobicContact CG2-CG 3.76Å; V336-E396 PolarHBondContact N-O 3.43Å; K337-E396 HydrophobicContact CB-CB 4.34Å; K337-E396 HydrophobicContact CD-CB 4.08Å; K337-E396 WeakPolarHBondContact CD-OE2 3.5Å; K337-E396 WeakPolarHBondContact CE-OE2 3.42Å; K337-E396 HydrophobicContact CG-CB 4.35Å; K337-E396 PolarHBondContact N-O 2.71Å; K337-E396 IonicContact NZ-OE2 3.6Å; K337-E396 PolarHBondContact NZ-OE2 3.04Å; G338-E396 PolarHBondContact N-O 3.1Å; T394-E396 VanDerWaalsContact C-N 3.35Å; T394-E396 WeakPolarHBondContact CB-OE1 3.2Å; T394-E396 VanDerWaalsContact OG1-CD 3.27Å; T394-E396 WeakPolarHBondContact OG1-CG 3.38Å; T394-E396 PolarHBondContact OG1-OE1 3.11Å
397	N	91.7	Very high	88.9	Confident	43 Å²	43	43.3 Å²	43.3	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	118.2	-174.7	171.3	27.1	0	0	0	110.3	K337 G338 G339 F390 D391	K337-N397 HydrophobicContact CB-CB 3.94Å; G338-N397 WeakPolarHBondContact O-CA 3.49Å; G339-N397 VanDerWaalsContact CA-OD1 3.3Å; G339-N397 WeakPolarHBondContact CA-OD1 3.4Å; F390-N397 VanDerWaalsContact CA-O 3.25Å; F390-N397 WeakPolarHBondContact CA-O 3.41Å; F390-N397 WeakPolarHBondContact CB-O 3.42Å; F390-N397 WeakPolarHBondContact CD1-O 3.43Å; D391-N397 PolarHBondContact N-O 3.37Å; D391-N397 WeakPolarHBondContact OD2-CB 3.31Å; D391-N397 PolarHBondContact OD2-ND2 3Å
398	M	94	Very high	88.9	Confident	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	124.1	-175.8	-166.3	-157.9	69.1	0	0	112.2	V330 T335 G338 G339 R340 H341 I385 P388 T389 F390 L400 F405	V330-M398 HydrophobicContact CG1-SD 3.92Å; V330-M398 HydrophobicContact CG2-CB 4.43Å; V330-M398 HydrophobicContact CG2-SD 3.91Å; T335-M398 HydrophobicContact CG2-CB 4.39Å; G338-M398 PolarHBondContact O-N 3.26Å; G339-M398 WeakPolarHBondContact CA-O 3.09Å; R340-M398 HydrophobicContact CB-CE 3.98Å; R340-M398 PolarHBondContact N-O 3.27Å; H341-M398 HydrophobicContact CB-CE 3.75Å; I385-M398 HydrophobicContact CG1-SD 4.12Å; I385-M398 HydrophobicContact CG2-SD 4.18Å; P388-M398 HydrophobicContact CB-SD 4.44Å; T389-M398 VanDerWaalsContact O-CG 3.24Å; T389-M398 WeakPolarHBondContact O-CG 3.12Å; F390-M398 HydrophobicContact CD1-CB 4.09Å; F390-M398 HydrophobicContact CD1-CG 4.34Å; F390-M398 HydrophobicContact CE1-CB 4.01Å; F390-M398 HydrophobicContact CE1-CG 4.11Å; M398-L400 HydrophobicContact CE-CB 4.36Å; M398-L400 HydrophobicContact SD-CB 4.49Å; M398-F405 HydrophobicContact CE-CD1 4.31Å; M398-F405 HydrophobicContact CE-CE1 3.34Å; M398-F405 HydrophobicContact CE-CZ 3.64Å
399	T	94.1	Very high	88.8	Confident	56 Å²	56	50.2 Å²	50.2	34%	0.344	28%	0.278	S	S	.	.			trans	-98.9	-14.3	-171.2	55	0	0	0	0	114.6	T389 F390 D391	T389-T399 VanDerWaalsContact C-OG1 3.25Å; T389-T399 WeakPolarHBondContact CB-OG1 3.4Å; T389-T399 PolarHBondContact O-N 2.57Å; T389-T399 PolarHBondContact O-OG1 3.23Å; T389-T399 PolarHBondContact OG1-OG1 3.44Å; F390-T399 PolarHBondContact N-OG1 3.4Å; F390-T399 PolarHBondContact O-OG1 3Å; D391-T399 HydrophobicContact CB-CG2 3.96Å
400	L	93.4	Very high	88.7	Confident	19 Å²	19	52.4 Å²	52.4	10%	0.099	29%	0.291	C	S	.	.			trans	-59.2	133.8	-172.3	-171	69	0	0	0	112.1	R340 I385 T389 M398 F405	R340-L400 WeakPolarHBondContact CB-O 3.29Å; R340-L400 WeakPolarHBondContact CG-O 3.44Å; I385-L400 HydrophobicContact CG2-CD2 3.64Å; T389-L400 HydrophobicContact CG2-CD1 4.22Å; T389-L400 WeakPolarHBondContact OG1-CA 3.38Å; T389-L400 PolarHBondContact OG1-N 2.89Å; T389-L400 VanDerWaalsContact OG1-N 3.14Å; M398-L400 HydrophobicContact CE-CB 4.36Å; M398-L400 HydrophobicContact SD-CB 4.49Å; L400-F405 HydrophobicContact CB-CE1 4.39Å; L400-F405 HydrophobicContact CD2-CD1 4.11Å; L400-F405 HydrophobicContact CG-CD1 4.41Å; L400-F405 VanDerWaalsContact O-CE1 3.28Å; L400-F405 WeakPolarHBondContact O-CE1 3.46Å
401	P	92.1	Very high	88.6	Confident	72 Å²	72	52 Å²	52	47%	0.468	29%	0.291	S	S	.	.			trans	-66.7	141.8	177.3	-23.6	35.3	0	0	0	113	K403 S404	P401-K403 PolarHBondContact O-N 3.5Å; P401-S404 PolarHBondContact O-N 3.46Å
402	P	90.4	Very high	88.7	Confident	51 Å²	51	49.8 Å²	49.8	33%	0.331	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-57.4	-21.1	-177.5	-29.1	35.9	0	0	0	116.7	Y344 S404 F405	Y344-P402 HydrophobicContact CD2-CB 3.85Å; Y344-P402 HydrophobicContact CD2-CG 4.23Å; Y344-P402 HydrophobicContact CE2-CB 4.45Å; Y344-P402 HydrophobicContact CG-CB 4.16Å; Y344-P402 HydrophobicContact CG-CG 4.34Å; P402-S404 PolarHBondContact O-N 3.48Å; P402-F405 HydrophobicContact CB-CD2 4.11Å; P402-F405 HydrophobicContact CB-CE1 4.49Å; P402-F405 HydrophobicContact CB-CE2 3.69Å; P402-F405 HydrophobicContact CB-CZ 3.91Å; P402-F405 HydrophobicContact CG-CE1 4.49Å; P402-F405 HydrophobicContact CG-CE2 3.99Å; P402-F405 HydrophobicContact CG-CZ 3.8Å
403	K	91.2	Very high	88.8	Confident	209 Å²	209	55.5 Å²	55.5	91%	0.909	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-65.6	-21.6	173.6	-64.6	-178.2	-178.2	176.5	0	113.1	P401	P401-K403 PolarHBondContact O-N 3.5Å
404	S	91.8	Very high	89.2	Confident	64 Å²	64	61.5 Å²	61.5	45%	0.448	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-105.1	2.9	-173.1	-55	0	0	0	0	114	P401 P402 G406	P401-S404 PolarHBondContact O-N 3.46Å; P402-S404 PolarHBondContact O-N 3.48Å; S404-G406 PolarHBondContact O-N 2.91Å
405	F	92.7	Very high	89.7	Confident	1 Å²	1	60.6 Å²	60.6	0%	0.004	32%	0.323	C	S	.	.	S	Bend	trans	-63.5	-6	-176.7	-69.6	-10.7	0	0	0	115.7	W313 R340 H341 Y344 I385 M398 L400 P402 S407	W313-F405 AromaticContact CH2-CD2 3.93Å; W313-F405 HydrophobicContact CH2-CD2 3.93Å; W313-F405 AromaticContact CH2-CE2 3.92Å; W313-F405 HydrophobicContact CH2-CE2 3.92Å; W313-F405 AromaticContact CZ2-CD2 3.64Å; W313-F405 HydrophobicContact CZ2-CD2 3.64Å; W313-F405 HydrophobicContact CZ2-CE2 4.13Å; W313-F405 HydrophobicContact CZ2-CG 4.37Å; R340-F405 HydrophobicContact CB-CZ 4.22Å; H341-F405 HydrophobicContact CB-CE2 4.48Å; H341-F405 HydrophobicContact CB-CZ 4.26Å; Y344-F405 HydrophobicContact CD1-CD2 4.41Å; Y344-F405 AromaticContact CD1-CE2 3.94Å; Y344-F405 HydrophobicContact CD1-CE2 3.94Å; Y344-F405 HydrophobicContact CG-CE2 4.06Å; I385-F405 HydrophobicContact CD1-CB 3.95Å; I385-F405 HydrophobicContact CD1-CD1 4.12Å; I385-F405 HydrophobicContact CD1-CD2 4.27Å; I385-F405 HydrophobicContact CD1-CG 3.88Å; I385-F405 HydrophobicContact CG2-CD1 4.26Å; M398-F405 HydrophobicContact CE-CD1 4.31Å; M398-F405 HydrophobicContact CE-CE1 3.34Å; M398-F405 HydrophobicContact CE-CZ 3.64Å; L400-F405 HydrophobicContact CB-CE1 4.39Å; L400-F405 HydrophobicContact CD2-CD1 4.11Å; L400-F405 HydrophobicContact CG-CD1 4.41Å; L400-F405 VanDerWaalsContact O-CE1 3.28Å; L400-F405 WeakPolarHBondContact O-CE1 3.46Å; P402-F405 HydrophobicContact CB-CD2 4.11Å; P402-F405 HydrophobicContact CB-CE1 4.49Å; P402-F405 HydrophobicContact CB-CE2 3.69Å; P402-F405 HydrophobicContact CB-CZ 3.91Å; P402-F405 HydrophobicContact CG-CE1 4.49Å; P402-F405 HydrophobicContact CG-CE2 3.99Å; P402-F405 HydrophobicContact CG-CZ 3.8Å; F405-S407 PolarHBondContact O-N 3.42Å
406	G	89.5	Confident	89.6	Confident	34 Å²	34	62 Å²	62	35%	0.351	33%	0.331	S	S	.	.	S	Bend	trans	69	-3.1	-175.3	0	0	0	0	0	115.2	R312 E386 S404	R312-G406 PolarHBondContact NH1-O 2.96Å; R312-G406 VanDerWaalsContact NH1-O 3.11Å; E386-G406 VanDerWaalsContact CD-CA 3.43Å; E386-G406 WeakPolarHBondContact OE2-CA 3.34Å; S404-G406 PolarHBondContact O-N 2.91Å
407	S	91.4	Very high	89.4	Confident	18 Å²	18	62.5 Å²	62.5	13%	0.126	34%	0.342	C	S	.	.	S	Bend	trans	-156.4	165.5	-178.6	59.1	0	0	0	0	110.3	W313 F405	W313-S407 PolarHBondContact NE1-OG 3.01Å; F405-S407 PolarHBondContact O-N 3.42Å
408	K	88.5	Confident	89.1	Confident	163 Å²	163	64.4 Å²	64.4	71%	0.709	35%	0.349	S	S	*	.			trans	-119.8	137.4	172.9	-66.6	-178.3	-179.6	178.1	0	109.3
409	C	88.5	Confident	88.7	Confident	7 Å²	7	64.4 Å²	64.4	5%	0.047	35%	0.349	C	S	.	.			trans	-95.7	130.5	164.2	-172.6	0	0	0	0	108.9	P309 W313 Y344 I345	P309-C409 WeakPolarHBondContact CG-SG 3.29Å; W313-C409 HydrophobicContact CB-CB 4.22Å; W313-C409 HydrophobicContact CD2-CB 3.64Å; W313-C409 HydrophobicContact CE3-CB 3.96Å; W313-C409 HydrophobicContact CG-CB 3.74Å; Y344-C409 HydrophobicContact CE1-CB 3.91Å; Y344-C409 PolarHBondContact OH-O 3.22Å; I345-C409 HydrophobicContact CD1-CB 3.59Å; I345-C409 VanDerWaalsContact CD1-SG 3.53Å
410	T	88.1	Confident	87.9	Confident	102 Å²	102	63.7 Å²	63.7	63%	0.626	35%	0.345	S	S	*	.			trans	-139	100.5	175.1	49.7	0	0	0	0	108.8	P309	P309-T410 WeakPolarHBondContact CB-O 3.31Å
411	V	86.8	Confident	87.2	Confident	26 Å²	26	70.1 Å²	70.1	16%	0.158	37%	0.372	C	S	.	.			trans	-66.7	148.6	178.1	-64.9	0	0	0	0	111.7	E307 L349 F415 L416	E307-V411 VanDerWaalsContact OE2-CA 3.25Å; E307-V411 WeakPolarHBondContact OE2-CA 3.42Å; L349-V411 HydrophobicContact CD2-CG2 4.26Å; V411-F415 HydrophobicContact CB-CB 4.39Å; V411-F415 HydrophobicContact CB-CD1 3.95Å; V411-F415 HydrophobicContact CB-CG 4.32Å; V411-F415 HydrophobicContact CG1-CD1 4.07Å; V411-F415 HydrophobicContact CG1-CE1 4.23Å; V411-F415 HydrophobicContact CG2-CD1 4.37Å; V411-L416 HydrophobicContact CG2-CD2 4.03Å; V411-L416 HydrophobicContact CG2-CG 4.21Å
412	S	88.1	Confident	86.3	Confident	40 Å²	40	67.3 Å²	67.3	28%	0.28	35%	0.354	S	S	.	.			trans	-78.1	159.3	-177.8	74.7	0	0	0	0	113.4	E307 K414 F415 L416	E307-S412 WeakPolarHBondContact OE1-CB 3.31Å; E307-S412 PolarHBondContact OE1-OG 3.01Å; E307-S412 PolarHBondContact OE2-N 2.93Å; S412-K414 PolarHBondContact O-N 3.36Å; S412-K414 PolarHBondContact OG-N 3.43Å; S412-F415 WeakPolarHBondContact O-CB 3.21Å; S412-F415 PolarHBondContact O-N 2.67Å; S412-F415 VanDerWaalsContact O-N 3.12Å; S412-F415 PolarHBondContact OG-N 3.46Å; S412-F415 VanDerWaalsContact OG-N 3.13Å; S412-L416 PolarHBondContact O-N 3.14Å; S412-L416 VanDerWaalsContact O-N 3.13Å
413	E	84.4	Confident	85.6	Confident	171 Å²	171	66.2 Å²	66.2	80%	0.799	35%	0.352	S	S	*	.	H	α-helix	trans	-60.4	-27.5	170.4	-62.4	-167.1	155.7	0	0	112.3	A417	E413-A417 WeakPolarHBondContact O-CB 3.18Å; E413-A417 PolarHBondContact O-N 3.15Å
414	K	86.7	Confident	84.8	Confident	150 Å²	150	56.2 Å²	56.2	65%	0.652	31%	0.309	S	S	*	.	H	α-helix	trans	-66.4	-43.5	174.3	-178	-175.4	174.3	-172	0	111.2	S412 A417 Q418	S412-K414 PolarHBondContact O-N 3.36Å; S412-K414 PolarHBondContact OG-N 3.43Å; K414-A417 PolarHBondContact O-N 3.14Å; K414-Q418 WeakPolarHBondContact O-CG 3.31Å; K414-Q418 PolarHBondContact O-N 3.39Å
415	F	87.4	Confident	83.9	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.009	29%	0.288	C	S	.	.	H	α-helix	trans	-60.1	-49.1	174.7	-172	-92	0	0	0	111	I305 E307 V315 V317 L349 V411 S412 A417 Q418 M419	I305-F415 HydrophobicContact CB-CE2 4.26Å; I305-F415 HydrophobicContact CG2-CD2 3.53Å; I305-F415 HydrophobicContact CG2-CE2 3.6Å; I305-F415 HydrophobicContact CG2-CG 4.18Å; I305-F415 HydrophobicContact CG2-CZ 4.25Å; I305-F415 WeakPolarHBondContact O-CE2 3.45Å; E307-F415 HydrophobicContact CB-CD2 3.51Å; E307-F415 HydrophobicContact CB-CE2 3.88Å; E307-F415 HydrophobicContact CB-CG 4.39Å; V315-F415 HydrophobicContact CG1-CZ 4.04Å; V317-F415 HydrophobicContact CB-CZ 4.19Å; V317-F415 HydrophobicContact CG2-CE1 4.08Å; V317-F415 HydrophobicContact CG2-CZ 3.83Å; L349-F415 HydrophobicContact CD2-CD1 4.26Å; L349-F415 HydrophobicContact CD2-CE1 3.83Å; V411-F415 HydrophobicContact CB-CB 4.39Å; V411-F415 HydrophobicContact CB-CD1 3.95Å; V411-F415 HydrophobicContact CB-CG 4.32Å; V411-F415 HydrophobicContact CG1-CD1 4.07Å; V411-F415 HydrophobicContact CG1-CE1 4.23Å; V411-F415 HydrophobicContact CG2-CD1 4.37Å; S412-F415 WeakPolarHBondContact O-CB 3.21Å; S412-F415 PolarHBondContact O-N 2.67Å; S412-F415 VanDerWaalsContact O-N 3.12Å; S412-F415 PolarHBondContact OG-N 3.46Å; S412-F415 VanDerWaalsContact OG-N 3.13Å; F415-A417 PolarHBondContact O-N 3.35Å; F415-Q418 PolarHBondContact O-N 3.29Å; F415-M419 WeakPolarHBondContact O-CB 3.23Å; F415-M419 PolarHBondContact O-N 2.91Å
416	L	84.1	Confident	82.8	Confident	35 Å²	35	57.7 Å²	57.7	18%	0.183	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-39.5	177.3	-63.4	174.3	0	0	0	112.7	L349 K352 V411 S412 Q418 M419 T420	L349-L416 HydrophobicContact CD2-CD2 4.06Å; K352-L416 HydrophobicContact CB-CD1 4.35Å; K352-L416 HydrophobicContact CB-CD2 3.97Å; K352-L416 HydrophobicContact CD-CD1 4.36Å; K352-L416 HydrophobicContact CG-CD1 3.94Å; K352-L416 HydrophobicContact CG-CD2 4.12Å; V411-L416 HydrophobicContact CG2-CD2 4.03Å; V411-L416 HydrophobicContact CG2-CG 4.21Å; S412-L416 PolarHBondContact O-N 3.14Å; S412-L416 VanDerWaalsContact O-N 3.13Å; L416-Q418 VanDerWaalsContact C-N 3.34Å; L416-M419 PolarHBondContact O-N 3.33Å; L416-T420 PolarHBondContact O-N 3.2Å; L416-T420 PolarHBondContact O-OG1 3.25Å
417	A	83.2	Confident	81.6	Confident	49 Å²	49	57.5 Å²	57.5	41%	0.405	31%	0.305	S	S	.	.	H	α-helix	trans	-70.5	-27.4	176.5	0	0	0	0	0	113.3	E413 K414 F415 K421	E413-A417 WeakPolarHBondContact O-CB 3.18Å; E413-A417 PolarHBondContact O-N 3.15Å; K414-A417 PolarHBondContact O-N 3.14Å; F415-A417 PolarHBondContact O-N 3.35Å; A417-K421 WeakPolarHBondContact O-CG 3.35Å
418	Q	85.8	Confident	80.1	Confident	83 Å²	83	56.7 Å²	56.7	39%	0.388	30%	0.299	S	S	.	.	H	α-helix	trans	-75.1	-40.1	170.3	-74.1	178.7	-46	0	0	111.5	I305 K414 F415 L416 T420 K421 S422	I305-Q418 VanDerWaalsContact CD1-C 3.5Å; I305-Q418 HydrophobicContact CD1-CB 4.11Å; I305-Q418 HydrophobicContact CG1-CB 4.31Å; I305-Q418 HydrophobicContact CG2-CB 3.95Å; K414-Q418 WeakPolarHBondContact O-CG 3.31Å; K414-Q418 PolarHBondContact O-N 3.39Å; F415-Q418 PolarHBondContact O-N 3.29Å; L416-Q418 VanDerWaalsContact C-N 3.34Å; Q418-T420 VanDerWaalsContact C-N 3.29Å; Q418-T420 PolarHBondContact O-N 3.05Å; Q418-K421 CarbonylContact O-C 3.53Å; Q418-K421 VanDerWaalsContact O-C 3.26Å; Q418-K421 WeakPolarHBondContact O-CA 3.48Å; Q418-K421 PolarHBondContact O-N 3.15Å; Q418-S422 PolarHBondContact O-N 2.9Å
419	M	83.6	Confident	78.6	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-33	177	-166.6	-170	-169.1	0	0	112.5	I305 V317 L349 I353 I377 F415 L416 K421 S422 I424	I305-M419 HydrophobicContact CD1-CB 4.03Å; V317-M419 HydrophobicContact CG1-CE 3.8Å; V317-M419 HydrophobicContact CG1-CG 4.28Å; V317-M419 HydrophobicContact CG2-CE 4.34Å; L349-M419 HydrophobicContact CB-CE 3.85Å; L349-M419 HydrophobicContact CB-SD 4.19Å; L349-M419 HydrophobicContact CD1-CE 4.17Å; L349-M419 HydrophobicContact CD2-CE 4.36Å; L349-M419 HydrophobicContact CD2-SD 3.86Å; L349-M419 HydrophobicContact CG-CE 4.34Å; L349-M419 HydrophobicContact CG-SD 4.45Å; I353-M419 HydrophobicContact CD1-CE 3.44Å; I353-M419 VanDerWaalsContact CD1-CE 3.44Å; I353-M419 HydrophobicContact CD1-CG 4.33Å; I353-M419 HydrophobicContact CD1-SD 3.8Å; I353-M419 HydrophobicContact CG1-CE 4.46Å; I353-M419 HydrophobicContact CG1-SD 4.23Å; I377-M419 HydrophobicContact CD1-CE 3.74Å; I377-M419 HydrophobicContact CG1-CE 4.08Å; I377-M419 HydrophobicContact CG2-CE 4.2Å; F415-M419 WeakPolarHBondContact O-CB 3.23Å; F415-M419 PolarHBondContact O-N 2.91Å; L416-M419 PolarHBondContact O-N 3.33Å; M419-K421 PolarHBondContact O-N 3.03Å; M419-S422 PolarHBondContact O-OG 3.4Å; M419-I424 HydrophobicContact CE-CD1 4.13Å; M419-I424 HydrophobicContact CG-CD1 3.95Å
420	T	78.1	Confident	76.8	Confident	40 Å²	40	55 Å²	55	25%	0.245	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.4	170.4	-56	0	0	0	0	112.5	V356 L416 Q418 V425	V356-T420 HydrophobicContact CG1-CG2 3.87Å; L416-T420 PolarHBondContact O-N 3.2Å; L416-T420 PolarHBondContact O-OG1 3.25Å; Q418-T420 VanDerWaalsContact C-N 3.29Å; Q418-T420 PolarHBondContact O-N 3.05Å; T420-V425 HydrophobicContact CG2-CG2 4.43Å
421	K	79.5	Confident	75.1	Confident	155 Å²	155	55.2 Å²	55.2	67%	0.674	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	36	-174.5	-63.2	-179	179.3	-173.9	0	112.4	K303 A417 Q418 M419	K303-K421 PolarHBondContact NZ-O 2.73Å; A417-K421 WeakPolarHBondContact O-CG 3.35Å; Q418-K421 CarbonylContact O-C 3.53Å; Q418-K421 VanDerWaalsContact O-C 3.26Å; Q418-K421 WeakPolarHBondContact O-CA 3.48Å; Q418-K421 PolarHBondContact O-N 3.15Å; M419-K421 PolarHBondContact O-N 3.03Å
422	S	73.1	Confident	73.2	Confident	12 Å²	12	56.5 Å²	56.5	8%	0.084	30%	0.296	C	S	.	.	S	Bend	trans	-134.8	34.9	179.1	66.9	0	0	0	0	112.7	V319 Q418 M419 I424	V319-S422 WeakPolarHBondContact CG2-O 3.42Å; Q418-S422 PolarHBondContact O-N 2.9Å; M419-S422 PolarHBondContact O-OG 3.4Å; S422-I424 PolarHBondContact O-N 2.8Å
423	G	74.4	Confident	71.3	Confident	28 Å²	28	57.8 Å²	57.8	29%	0.289	30%	0.298	S	S	.	.	S	Bend	trans	75.9	-27.2	175.2	0	0	0	0	0	116.3	V425 D426 S427	G423-V425 PolarHBondContact O-N 3.47Å; G423-D426 WeakPolarHBondContact O-CA 3.49Å; G423-D426 PolarHBondContact O-N 3.21Å; G423-S427 PolarHBondContact O-N 3.48Å; G423-S427 PolarHBondContact O-OG 2.88Å; G423-S427 VanDerWaalsContact O-OG 3.14Å
424	I	75.8	Confident	69.3	Low	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-51.3	-37.9	-176.2	-57.3	173.9	0	0	0	112.8	V317 V319 I353 H376 I377 M419 S422 A428	V317-I424 HydrophobicContact CG1-CD1 3.7Å; V319-I424 HydrophobicContact CG2-CG1 3.82Å; I353-I424 HydrophobicContact CD1-CG2 3.87Å; H376-I424 HydrophobicContact CB-CG2 4.48Å; I377-I424 HydrophobicContact CG1-CG2 4.03Å; M419-I424 HydrophobicContact CE-CD1 4.13Å; M419-I424 HydrophobicContact CG-CD1 3.95Å; S422-I424 PolarHBondContact O-N 2.8Å; I424-A428 VanDerWaalsContact O-CB 3.25Å; I424-A428 WeakPolarHBondContact O-CB 3.01Å; I424-A428 PolarHBondContact O-N 3.04Å
425	V	73.4	Confident	67.5	Low	2 Å²	2	49.8 Å²	49.8	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-65.6	-36.6	177.6	162.4	0	0	0	0	112.6	I353 V357 T420 G423 Q429	I353-V425 HydrophobicContact CG2-CG2 4.22Å; V357-V425 HydrophobicContact CG2-CG1 3.91Å; V357-V425 HydrophobicContact CG2-CG2 4.25Å; T420-V425 HydrophobicContact CG2-CG2 4.43Å; G423-V425 PolarHBondContact O-N 3.47Å; V425-Q429 WeakPolarHBondContact O-CG 3.25Å; V425-Q429 PolarHBondContact O-NE2 2.95Å
426	D	69.1	Low	65.7	Low	94 Å²	94	54 Å²	54	50%	0.503	30%	0.301	S	S	.	.	H	α-helix	trans	-84.9	-44.7	-173.7	-50.3	-64.1	0	0	0	109.8	G423 A428 Q429 L430	G423-D426 WeakPolarHBondContact O-CA 3.49Å; G423-D426 PolarHBondContact O-N 3.21Å; D426-A428 VanDerWaalsContact C-N 3.28Å; D426-A428 PolarHBondContact O-N 3.07Å; D426-Q429 WeakPolarHBondContact O-CB 3.5Å; D426-Q429 PolarHBondContact O-N 3.19Å; D426-L430 PolarHBondContact O-N 3.37Å; D426-L430 VanDerWaalsContact O-N 3.14Å
427	S	64.2	Low	64.3	Low	29 Å²	29	56.5 Å²	56.5	20%	0.203	32%	0.318	C	S	.	.	H	α-helix	trans	-53.6	-43	170.8	-48.4	0	0	0	0	112.3	G423 Q429 L430	G423-S427 PolarHBondContact O-N 3.48Å; G423-S427 PolarHBondContact O-OG 2.88Å; G423-S427 VanDerWaalsContact O-OG 3.14Å; S427-Q429 VanDerWaalsContact C-N 3.25Å; S427-Q429 PolarHBondContact O-N 2.99Å; S427-L430 PolarHBondContact O-N 3.44Å
428	A	58.6	Low	63.2	Low	2 Å²	2	57.9 Å²	57.9	2%	0.017	32%	0.315	C	S	.	.	H	α-helix	trans	-70.4	-15.6	178.9	0	0	0	0	0	114.4	V373 I424 D426	V373-A428 HydrophobicContact CG2-CB 4.42Å; I424-A428 VanDerWaalsContact O-CB 3.25Å; I424-A428 WeakPolarHBondContact O-CB 3.01Å; I424-A428 PolarHBondContact O-N 3.04Å; D426-A428 VanDerWaalsContact C-N 3.28Å; D426-A428 PolarHBondContact O-N 3.07Å
429	Q	57.9	Low	62.2	Low	58 Å²	58	58.2 Å²	58.2	27%	0.271	32%	0.316	S	S	.	.	H	α-helix	trans	-87.6	-43.1	173.5	-73.8	173.2	72.9	0	0	111.9	V357 I368 V425 D426 S427 N431 K432	V357-Q429 HydrophobicContact CG1-CG 4.37Å; I368-Q429 HydrophobicContact CD1-CG 4.23Å; V425-Q429 WeakPolarHBondContact O-CG 3.25Å; V425-Q429 PolarHBondContact O-NE2 2.95Å; D426-Q429 WeakPolarHBondContact O-CB 3.5Å; D426-Q429 PolarHBondContact O-N 3.19Å; S427-Q429 VanDerWaalsContact C-N 3.25Å; S427-Q429 PolarHBondContact O-N 2.99Å; Q429-N431 VanDerWaalsContact C-N 3.32Å; Q429-N431 PolarHBondContact O-N 3.03Å; Q429-K432 PolarHBondContact O-N 3.34Å
430	L	50.8	Low	61.4	Low	76 Å²	76	60.7 Å²	60.7	40%	0.398	33%	0.333	S	S	.	.	H	α-helix	trans	-50.3	-49.4	-179.2	-70.9	173.4	0	0	0	112.6	D426 S427 K432 Q433 Y505	D426-L430 PolarHBondContact O-N 3.37Å; D426-L430 VanDerWaalsContact O-N 3.14Å; S427-L430 PolarHBondContact O-N 3.44Å; L430-K432 PolarHBondContact O-N 3.11Å; L430-Q433 PolarHBondContact O-N 3.44Å; L430-Y505 HydrophobicContact CD2-CE1 3.94Å; L430-Y505 WeakPolarHBondContact CD2-OH 3.43Å
431	N	51.6	Low	61.2	Low	106 Å²	106	65.1 Å²	65.1	57%	0.567	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	7.3	-174.3	-98.6	-31.8	0	0	0	115.7	H376 Q429	H376-N431 PolarHBondContact CE1-ND2 3.2Å; H376-N431 PolarHBondContact NE2-ND2 3.26Å; Q429-N431 VanDerWaalsContact C-N 3.32Å; Q429-N431 PolarHBondContact O-N 3.03Å
432	K	46.6	Very low	61.1	Low	54 Å²	54	60.2 Å²	60.2	24%	0.235	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-12.6	-178.8	-156.5	163.4	-168.9	163	0	115.9	T367 I368 Q429 L430	T367-K432 PolarHBondContact O-NZ 3.1Å; I368-K432 HydrophobicContact CG1-CD 4.37Å; Q429-K432 PolarHBondContact O-N 3.34Å; L430-K432 PolarHBondContact O-N 3.11Å
433	Q	49.1	Very low	61	Low	67 Å²	67	69.5 Å²	69.5	31%	0.313	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-28	175.5	-69.1	-177.1	-21.4	0	0	112.6	L430 M509	L430-Q433 PolarHBondContact O-N 3.44Å; Q433-M509 PolarHBondContact OE1-SD 3Å
434	C	43.4	Very low	60.8	Low	36 Å²	36	72.1 Å²	72.1	24%	0.243	40%	0.396	C	S	.	.	S	Bend	trans	-87.6	107.9	168.1	-66	0	0	0	0	110.5	A436	C434-A436 PolarHBondContact O-N 3.21Å; C434-A436 VanDerWaalsContact O-N 3.15Å
435	H	48.8	Very low	61	Low	117 Å²	117	73.2 Å²	73.2	54%	0.542	40%	0.403	S	S	.	.			trans	-71.6	107.8	171.2	-92.9	-112.7	0	0	0	110.1	T437 H439 Q524	H435-T437 PolarHBondContact O-N 3.46Å; H435-H439 AromaticContact CE1-NE2 3.88Å; H435-H439 AromaticContact ND1-CD2 3.61Å; H435-H439 AromaticContact ND1-NE2 3.31Å; H435-H439 PolarHBondContact ND1-NE2 2.92Å; H435-Q524 PolarHBondContact O-NE2 3.2Å
436	A	49.1	Very low	61.4	Low	89 Å²	89	77.2 Å²	77.2	74%	0.736	43%	0.429	S	S	*	.			trans	-64.7	-19.4	174.4	0	0	0	0	0	113.5	C434	C434-A436 PolarHBondContact O-N 3.21Å; C434-A436 VanDerWaalsContact O-N 3.15Å
437	T	54.8	Low	62.3	Low	88 Å²	88	77.7 Å²	77.7	54%	0.54	43%	0.426	S	S	.	.	S	Bend	trans	-100.2	121.4	-177.1	33.1	0	0	0	0	111.9	H435 H439	H435-T437 PolarHBondContact O-N 3.46Å; T437-H439 PolarHBondContact O-CD2 3.43Å; T437-H439 PolarHBondContact O-N 3.12Å
438	K	59.7	Low	63.7	Low	79 Å²	79	77.5 Å²	77.5	34%	0.343	42%	0.423	S	S	.	.			trans	-71.5	88.2	178.5	-164.8	-173.7	-169.7	-174.3	0	110.9	G455 T456 S459 R536 S537 L538	K438-G455 WeakPolarHBondContact CD-O 3.35Å; K438-G455 WeakPolarHBondContact CE-O 3.45Å; K438-G455 WeakPolarHBondContact CG-O 3.5Å; K438-T456 PolarHBondContact NZ-O 2.92Å; K438-S459 WeakPolarHBondContact CE-OG 3.44Å; K438-S459 VanDerWaalsContact NZ-CB 3.32Å; K438-S459 PolarHBondContact NZ-OG 2.7Å; K438-R536 PolarHBondContact NZ-O 2.9Å; K438-S537 WeakPolarHBondContact CE-O 3.35Å; K438-L538 WeakPolarHBondContact CE-O 3.28Å; K438-L538 PolarHBondContact NZ-O 3.37Å
439	H	64.9	Low	65.2	Low	89 Å²	89	81.4 Å²	81.4	41%	0.412	44%	0.441	S	S	.	.			trans	-75.1	142.7	172.8	-60.4	-63.2	0	0	0	111	H435 T437 R539	H435-H439 AromaticContact CE1-NE2 3.88Å; H435-H439 AromaticContact ND1-CD2 3.61Å; H435-H439 AromaticContact ND1-NE2 3.31Å; H435-H439 PolarHBondContact ND1-NE2 2.92Å; T437-H439 PolarHBondContact O-CD2 3.43Å; T437-H439 PolarHBondContact O-N 3.12Å; H439-R539 WeakPolarHBondContact O-CD 3.47Å; H439-R539 PolarHBondContact O-NH1 2.86Å
440	S	66.5	Low	66.8	Low	54 Å²	54	80.3 Å²	80.3	38%	0.378	44%	0.437	S	S	.	.	S	Bend	trans	-74.1	-32.5	178.5	164.6	0	0	0	0	113.5	R539	S440-R539 PolarHBondContact O-NH1 2.64Å
441	K	73.5	Confident	68.8	Low	133 Å²	133	76.7 Å²	76.7	58%	0.578	42%	0.418	S	S	*	.	S	Bend	trans	-130.1	138.2	173.4	-61.4	-160.1	175.2	-154.2	0	110.8
442	L	78.8	Confident	70.8	Confident	51 Å²	51	75 Å²	75	27%	0.267	41%	0.409	S	S	.	.			trans	-85.7	156.4	175	-64.2	174.5	0	0	0	111.2	V445 L448 K519 I520	L442-V445 HydrophobicContact CD1-CG2 4.45Å; L442-L448 HydrophobicContact CB-CD2 4.42Å; L442-L448 HydrophobicContact CD1-CD2 4.09Å; L442-K519 WeakPolarHBondContact CD1-O 3.42Å; L442-I520 HydrophobicContact CD1-CG1 4.34Å
443	K	69.5	Low	72.9	Confident	208 Å²	208	74.9 Å²	74.9	90%	0.904	41%	0.409	S	S	*	.	S	Bend	trans	-131.3	142.7	169.8	-69.4	-174.4	173.4	-176.4	0	108.3
444	G	70.3	Confident	74.8	Confident	83 Å²	83	71.7 Å²	71.7	86%	0.856	39%	0.394	S	S	*	.	S	Bend	trans	81.4	14.4	177.4	0	0	0	0	0	115.8
445	V	81.5	Confident	76.8	Confident	23 Å²	23	70.3 Å²	70.3	14%	0.139	39%	0.386	C	S	.	.			trans	-103	106.9	163.2	-177.3	0	0	0	0	107	L442 L448 F491 I520	L442-V445 HydrophobicContact CD1-CG2 4.45Å; V445-L448 HydrophobicContact CB-CB 4.42Å; V445-L448 HydrophobicContact CB-CD2 4.36Å; V445-L448 HydrophobicContact CG1-CB 3.99Å; V445-L448 HydrophobicContact CG1-CD2 4.4Å; V445-F491 HydrophobicContact CG1-CD2 4.31Å; V445-F491 HydrophobicContact CG1-CE2 3.79Å; V445-I520 HydrophobicContact CG1-CD1 4.07Å; V445-I520 HydrophobicContact CG1-CG1 4.13Å
446	P	80.4	Confident	78.7	Confident	86 Å²	86	66.5 Å²	66.5	56%	0.558	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	159.6	179	30	-34.8	0	0	0	111	L448	P446-L448 PolarHBondContact O-N 3.31Å
447	K	88.6	Confident	80.5	Confident	103 Å²	103	72 Å²	72	45%	0.448	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	-9.6	177.8	-56.7	-176.8	169.6	-164.9	0	117.9	E449 D470 K473 P492	K447-E449 PolarHBondContact O-N 2.86Å; K447-D470 WeakPolarHBondContact CD-OD1 3.33Å; K447-D470 WeakPolarHBondContact CE-OD1 3.38Å; K447-D470 IonicContact NZ-OD1 2.75Å; K447-D470 PolarHBondContact NZ-OD1 3.39Å; K447-D470 IonicContact NZ-OD2 2.73Å; K447-D470 PolarHBondContact NZ-OD2 3.31Å; K447-K473 WeakPolarHBondContact O-CE 3.46Å; K447-K473 PolarHBondContact O-NZ 3.38Å; K447-P492 HydrophobicContact CB-CG 3.63Å; K447-P492 HydrophobicContact CD-CG 3.68Å; K447-P492 HydrophobicContact CG-CG 4.31Å
448	L	92.4	Very high	82.1	Confident	26 Å²	26	70.6 Å²	70.6	14%	0.136	37%	0.368	C	S	.	.			trans	-66.1	122.4	174.3	175.7	70.2	0	0	0	111.8	L442 V445 P446 D450 L464 F491 I520	L442-L448 HydrophobicContact CB-CD2 4.42Å; L442-L448 HydrophobicContact CD1-CD2 4.09Å; V445-L448 HydrophobicContact CB-CB 4.42Å; V445-L448 HydrophobicContact CB-CD2 4.36Å; V445-L448 HydrophobicContact CG1-CB 3.99Å; V445-L448 HydrophobicContact CG1-CD2 4.4Å; P446-L448 PolarHBondContact O-N 3.31Å; L448-D450 HydrophobicContact CD2-CB 4.11Å; L448-D450 HydrophobicContact CG-CB 4.22Å; L448-L464 HydrophobicContact CD1-CD1 4.23Å; L448-F491 HydrophobicContact CB-CD2 4.08Å; L448-F491 HydrophobicContact CD1-CB 4.11Å; L448-F491 HydrophobicContact CD1-CD2 4.38Å; L448-I520 HydrophobicContact CD1-CD1 4.11Å; L448-I520 HydrophobicContact CD1-CG1 4.05Å; L448-I520 HydrophobicContact CD1-CG2 3.78Å; L448-I520 HydrophobicContact CD2-CG1 4.08Å
449	E	92	Very high	83.5	Confident	83 Å²	83	66.9 Å²	66.9	39%	0.388	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-94	109.6	158.4	-51.6	-55.4	143.3	0	0	108.2	K447 K473 V477 F480 G489 V490	K447-E449 PolarHBondContact O-N 2.86Å; E449-K473 IonicContact OE1-NZ 3.66Å; E449-K473 PolarHBondContact OE1-NZ 2.87Å; E449-V477 HydrophobicContact CG-CG2 4.16Å; E449-F480 HydrophobicContact CB-CE2 4.22Å; E449-G489 CarbonylContact O-C 3.45Å; E449-G489 WeakPolarHBondContact O-CA 3.11Å; E449-V490 HydrophobicContact CB-CG1 3.86Å; E449-V490 HydrophobicContact CG-CG1 3.82Å; E449-V490 PolarHBondContact N-O 2.84Å; E449-V490 PolarHBondContact O-N 2.69Å
450	D	91.5	Very high	84.6	Confident	35 Å²	35	66.7 Å²	66.7	19%	0.187	35%	0.351	C	S	.	.			trans	-90.2	128.8	-172.5	-153.8	19.5	0	0	0	111.1	L448 A454 R539 Y540	L448-D450 HydrophobicContact CD2-CB 4.11Å; L448-D450 HydrophobicContact CG-CB 4.22Å; D450-A454 WeakPolarHBondContact OD1-CB 3.4Å; D450-R539 IonicContact OD1-CZ 2.76Å; D450-R539 IonicContact OD1-NH2 2.66Å; D450-R539 PolarHBondContact OD1-NH2 2.96Å; D450-R539 IonicContact OD2-CZ 3.97Å; D450-R539 IonicContact OD2-NH1 3.61Å; D450-R539 IonicContact OD2-NH2 3.11Å; D450-R539 PolarHBondContact OD2-NH2 3.43Å; D450-Y540 PolarHBondContact OD1-OH 2.93Å
451	A	92.8	Very high	85.8	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.008	36%	0.361	C	S	.	.			trans	-61.3	142.2	177.9	0	0	0	0	0	110.9	E453 A454 R485 F488 Y540	A451-E453 PolarHBondContact O-N 3.41Å; A451-A454 HydrophobicContact CB-CB 4.17Å; A451-A454 WeakPolarHBondContact O-CB 3.22Å; A451-A454 PolarHBondContact O-N 3.22Å; A451-R485 CarbonylContact C-O 3.54Å; A451-R485 WeakPolarHBondContact CA-O 2.87Å; A451-F488 WeakPolarHBondContact CB-O 3.28Å; A451-Y540 HydrophobicContact CB-CE1 3.82Å; A451-Y540 PolarHBondContact N-OH 3.28Å
452	N	91.6	Very high	86.8	Confident	69 Å²	69	65.2 Å²	65.2	37%	0.369	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.4	-175	-64.8	-47.8	0	0	0	113.2	R485 D486	N452-R485 PolarHBondContact N-O 3.5Å; N452-D486 PolarHBondContact N-O 3.41Å; N452-D486 PolarHBondContact ND2-OD1 3.33Å
453	E	91.9	Very high	87.6	Confident	53 Å²	53	63 Å²	63	25%	0.248	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	5.8	176.1	-67.9	-72.4	176.8	0	0	113.6	A451 G455 T456 N458 S459 C462 D486 Y487	A451-E453 PolarHBondContact O-N 3.41Å; E453-G455 PolarHBondContact O-N 2.93Å; E453-T456 PolarHBondContact O-N 3.37Å; E453-T456 PolarHBondContact O-OG1 3.02Å; E453-T456 WeakPolarHBondContact OE2-CB 3.42Å; E453-T456 WeakPolarHBondContact OE2-CG2 3.34Å; E453-T456 PolarHBondContact OE2-OG1 2.87Å; E453-N458 HydrophobicContact CB-CB 4Å; E453-N458 HydrophobicContact CG-CB 4.16Å; E453-N458 PolarHBondContact OE1-ND2 2.98Å; E453-N458 WeakPolarHBondContact OE2-CB 3.39Å; E453-N458 PolarHBondContact OE2-ND2 3.19Å; E453-S459 PolarHBondContact O-OG 3.4Å; E453-C462 VanDerWaalsContact C-SG 3.53Å; E453-D486 VanDerWaalsContact CB-O 3.31Å; E453-D486 WeakPolarHBondContact CB-O 3.42Å; E453-D486 PolarHBondContact N-O 2.89Å; E453-Y487 HydrophobicContact CB-CD1 4.3Å; E453-Y487 HydrophobicContact CB-CE1 4.28Å; E453-Y487 HydrophobicContact CG-CD1 4.48Å; E453-Y487 HydrophobicContact CG-CE1 4.06Å
454	A	88.6	Confident	88.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	137	170.7	0	0	0	0	0	110.2	D450 A451 T456 Y540	D450-A454 WeakPolarHBondContact OD1-CB 3.4Å; A451-A454 HydrophobicContact CB-CB 4.17Å; A451-A454 WeakPolarHBondContact O-CB 3.22Å; A451-A454 PolarHBondContact O-N 3.22Å; A454-T456 PolarHBondContact O-N 3.5Å; A454-T456 VanDerWaalsContact O-N 3.1Å; A454-Y540 HydrophobicContact CB-CE1 4.23Å; A454-Y540 HydrophobicContact CB-CE2 3.82Å
455	G	85.2	Confident	90.1	Very high	7 Å²	7	49.2 Å²	49.2	7%	0.072	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	-5.9	-178.8	0	0	0	0	0	116.7	K438 E453 S459 R539	K438-G455 WeakPolarHBondContact CD-O 3.35Å; K438-G455 WeakPolarHBondContact CE-O 3.45Å; K438-G455 WeakPolarHBondContact CG-O 3.5Å; E453-G455 PolarHBondContact O-N 2.93Å; G455-S459 WeakPolarHBondContact CA-OG 3.33Å; G455-S459 PolarHBondContact N-OG 3.07Å; G455-S459 VanDerWaalsContact N-OG 3.12Å; G455-R539 PolarHBondContact N-O 2.97Å; G455-R539 VanDerWaalsContact N-O 3.14Å
456	T	88.3	Confident	90.8	Very high	37 Å²	37	48.3 Å²	48.3	23%	0.227	23%	0.233	C	C	.	.	S	Bend	trans	-83.2	-160.1	-179.3	79.2	0	0	0	0	112.8	K438 E453 A454 N458 S459	K438-T456 PolarHBondContact NZ-O 2.92Å; E453-T456 PolarHBondContact O-N 3.37Å; E453-T456 PolarHBondContact O-OG1 3.02Å; E453-T456 WeakPolarHBondContact OE2-CB 3.42Å; E453-T456 WeakPolarHBondContact OE2-CG2 3.34Å; E453-T456 PolarHBondContact OE2-OG1 2.87Å; A454-T456 PolarHBondContact O-N 3.5Å; A454-T456 VanDerWaalsContact O-N 3.1Å; T456-N458 VanDerWaalsContact C-N 3.3Å; T456-N458 PolarHBondContact OG1-N 3.2Å; T456-S459 PolarHBondContact N-OG 3.29Å; T456-S459 VanDerWaalsContact N-OG 3.12Å; T456-S459 PolarHBondContact O-OG 3.43Å; T456-S459 VanDerWaalsContact O-OG 3.05Å
457	K	87	Confident	91.4	Very high	203 Å²	203	44.3 Å²	44.3	88%	0.883	21%	0.207	S	C	*	.	S	Bend	trans	-70.6	-25.4	166.3	-64.9	-179	179.7	179.2	0	112.4
458	N	88.8	Confident	91.4	Very high	60 Å²	60	41.5 Å²	41.5	32%	0.321	20%	0.195	S	C	.	.			trans	-90.7	3.9	-174.7	-63.7	-53	0	0	0	113.7	E453 T456 Q460 R461 Y487	E453-N458 HydrophobicContact CB-CB 4Å; E453-N458 HydrophobicContact CG-CB 4.16Å; E453-N458 PolarHBondContact OE1-ND2 2.98Å; E453-N458 WeakPolarHBondContact OE2-CB 3.39Å; E453-N458 PolarHBondContact OE2-ND2 3.19Å; T456-N458 VanDerWaalsContact C-N 3.3Å; T456-N458 PolarHBondContact OG1-N 3.2Å; N458-Q460 PolarHBondContact O-N 3.37Å; N458-R461 WeakPolarHBondContact O-CB 3.26Å; N458-R461 PolarHBondContact O-N 2.96Å; N458-Y487 HydrophobicContact CB-CE1 4.3Å
459	S	89	Confident	91.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-51.1	-32.2	-176.3	-57.8	0	0	0	0	115.1	K438 E453 G455 T456 R461 C462 L538 R539 Y540 G541	K438-S459 WeakPolarHBondContact CE-OG 3.44Å; K438-S459 VanDerWaalsContact NZ-CB 3.32Å; K438-S459 PolarHBondContact NZ-OG 2.7Å; E453-S459 PolarHBondContact O-OG 3.4Å; G455-S459 WeakPolarHBondContact CA-OG 3.33Å; G455-S459 PolarHBondContact N-OG 3.07Å; G455-S459 VanDerWaalsContact N-OG 3.12Å; T456-S459 PolarHBondContact N-OG 3.29Å; T456-S459 VanDerWaalsContact N-OG 3.12Å; T456-S459 PolarHBondContact O-OG 3.43Å; T456-S459 VanDerWaalsContact O-OG 3.05Å; S459-R461 PolarHBondContact O-N 2.91Å; S459-R461 VanDerWaalsContact O-N 3.15Å; S459-C462 WeakPolarHBondContact O-CB 3.47Å; S459-C462 PolarHBondContact O-N 3.47Å; S459-L538 VanDerWaalsContact CB-O 3.29Å; S459-L538 WeakPolarHBondContact CB-O 3.47Å; S459-R539 VanDerWaalsContact CB-O 3.22Å; S459-R539 WeakPolarHBondContact CB-O 3.19Å; S459-R539 PolarHBondContact OG-O 3.27Å; S459-Y540 CarbonylContact O-C 3.59Å; S459-G541 PolarHBondContact O-N 2.9Å
460	Q	89.3	Confident	90.9	Very high	85 Å²	85	41.1 Å²	41.1	40%	0.397	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-62.7	-18.6	177.2	-62	-168.1	-76.9	0	0	113.5	N458 R536	N458-Q460 PolarHBondContact O-N 3.37Å; Q460-R536 HydrophobicContact CG-CG 4.02Å
461	R	91.3	Very high	90.6	Very high	155 Å²	155	43.1 Å²	43.1	59%	0.585	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-90	-11.9	172.2	-63.5	179	61.5	-176	-2.6	113.4	N458 S459 Y487	N458-R461 WeakPolarHBondContact O-CB 3.26Å; N458-R461 PolarHBondContact O-N 2.96Å; S459-R461 PolarHBondContact O-N 2.91Å; S459-R461 VanDerWaalsContact O-N 3.15Å; R461-Y487 HydrophobicContact CB-CD1 3.76Å; R461-Y487 HydrophobicContact CB-CE1 4.01Å; R461-Y487 PolarHBondContact NH1-OH 3.04Å
462	C	94.7	Very high	90.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.			trans	-85.5	134.8	-173.9	-58	0	0	0	0	111.2	E453 S459 Y487 Y540 G541 K542	E453-C462 VanDerWaalsContact C-SG 3.53Å; S459-C462 WeakPolarHBondContact O-CB 3.47Å; S459-C462 PolarHBondContact O-N 3.47Å; C462-Y487 CarbonylContact C-O 3.5Å; C462-Y487 VanDerWaalsContact CA-O 3.26Å; C462-Y487 WeakPolarHBondContact CA-O 3.38Å; C462-Y540 HydrophobicContact CB-CD1 3.68Å; C462-Y540 HydrophobicContact CB-CE1 4.18Å; C462-Y540 HydrophobicContact CB-CG 4.41Å; C462-G541 PolarHBondContact O-N 2.96Å; C462-K542 PolarHBondContact O-N 3.18Å
463	T	95.5	Very high	90.1	Very high	6 Å²	6	41.2 Å²	41.2	4%	0.037	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	126.9	176.2	-53	0	0	0	0	109.4	Y487 F488 G489 Y540 K542 M544	T463-Y487 PolarHBondContact N-O 3.39Å; T463-F488 HydrophobicContact CG2-CE1 4.4Å; T463-G489 PolarHBondContact O-N 3.13Å; T463-Y540 VanDerWaalsContact C-CD1 3.47Å; T463-K542 WeakPolarHBondContact CA-O 3.42Å; T463-K542 HydrophobicContact CG2-CB 4.11Å; T463-M544 HydrophobicContact CG2-CB 3.55Å
464	L	95.9	Very high	90	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	119.1	168.8	-179.9	70.8	0	0	0	108.8	L448 L466 F491 I520 L521 Y540 K542 V543 M544	L448-L464 HydrophobicContact CD1-CD1 4.23Å; L464-L466 HydrophobicContact CD2-CD2 3.57Å; L464-L466 HydrophobicContact CD2-CG 4.28Å; L464-L466 HydrophobicContact CG-CD2 3.97Å; L464-F491 HydrophobicContact CD1-CB 4.35Å; L464-I520 HydrophobicContact CD1-CG2 3.75Å; L464-I520 HydrophobicContact CD2-CB 4.33Å; L464-I520 HydrophobicContact CD2-CG2 3.51Å; L464-I520 HydrophobicContact CG-CG2 4.26Å; L464-L521 HydrophobicContact CB-CD2 4.11Å; L464-L521 HydrophobicContact CD2-CD2 3.59Å; L464-L521 HydrophobicContact CD2-CG 4.1Å; L464-Y540 HydrophobicContact CB-CD1 3.76Å; L464-Y540 HydrophobicContact CB-CD2 4.21Å; L464-Y540 HydrophobicContact CB-CE1 4.04Å; L464-Y540 HydrophobicContact CB-CE2 4.5Å; L464-Y540 HydrophobicContact CB-CG 3.86Å; L464-Y540 HydrophobicContact CD1-CE1 4.31Å; L464-Y540 HydrophobicContact CD1-CE2 4.29Å; L464-K542 PolarHBondContact N-O 3.47Å; L464-V543 CarbonylContact O-C 3.58Å; L464-V543 WeakPolarHBondContact O-CA 3.39Å; L464-M544 PolarHBondContact O-N 3.06Å
465	I	96.2	Very high	90	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.7	169.8	-48.7	-176.4	0	0	0	108.2	T467 A476 F480 F488 G489 V490 F491 M544 M546 F635	I465-T467 HydrophobicContact CG2-CG2 3.88Å; I465-A476 HydrophobicContact CD1-CB 4.32Å; I465-A476 HydrophobicContact CG2-CB 4.41Å; I465-F480 HydrophobicContact CD1-CE1 4.04Å; I465-F488 HydrophobicContact CD1-CD1 4.35Å; I465-G489 PolarHBondContact N-O 3.02Å; I465-V490 HydrophobicContact CB-CB 4.27Å; I465-V490 HydrophobicContact CB-CG2 4.17Å; I465-V490 HydrophobicContact CG2-CG2 4.45Å; I465-V490 VanDerWaalsContact O-CA 3.29Å; I465-V490 WeakPolarHBondContact O-CA 3.5Å; I465-F491 PolarHBondContact O-N 2.83Å; I465-M544 CarbonylContact C-O 3.52Å; I465-M544 WeakPolarHBondContact CA-O 3.4Å; I465-M544 HydrophobicContact CD1-SD 4.34Å; I465-M544 HydrophobicContact CG1-CB 4.4Å; I465-M544 HydrophobicContact CG1-CG 4.48Å; I465-M544 HydrophobicContact CG1-SD 4.21Å; I465-M544 HydrophobicContact CG2-CG 4.46Å; I465-M546 HydrophobicContact CG2-CB 3.59Å; I465-M546 HydrophobicContact CG2-CG 4.32Å; I465-M546 HydrophobicContact CG2-SD 3.81Å; I465-F635 HydrophobicContact CD1-CE1 3.9Å; I465-F635 HydrophobicContact CD1-CZ 3.96Å
466	L	95.5	Very high	90.3	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.1	170.7	-64.7	-176.5	0	0	0	108.3	L464 F491 L517 V543 M544 M546 L560	L464-L466 HydrophobicContact CD2-CD2 3.57Å; L464-L466 HydrophobicContact CD2-CG 4.28Å; L464-L466 HydrophobicContact CG-CD2 3.97Å; L466-F491 WeakPolarHBondContact CA-O 3.35Å; L466-F491 HydrophobicContact CD2-CB 4.05Å; L466-F491 HydrophobicContact CD2-CD1 4.2Å; L466-L517 HydrophobicContact CD1-CD2 3.92Å; L466-L517 HydrophobicContact CD2-CD2 3.47Å; L466-L517 VanDerWaalsContact CD2-CD2 3.47Å; L466-L517 HydrophobicContact CG-CD2 4.37Å; L466-V543 HydrophobicContact CD1-CG1 3.63Å; L466-V543 HydrophobicContact CG-CG1 3.94Å; L466-M544 PolarHBondContact N-O 2.7Å; L466-M546 PolarHBondContact O-N 2.83Å; L466-L560 HydrophobicContact CD1-CD1 4.28Å; L466-L560 HydrophobicContact CD1-CD2 3.67Å
467	T	93	Very high	90.4	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	145.1	-170.8	43.9	0	0	0	0	112	I465 G469 A472 A476 V490 F491 P492 L493 M546	I465-T467 HydrophobicContact CG2-CG2 3.88Å; T467-G469 PolarHBondContact O-N 3.49Å; T467-A472 HydrophobicContact CG2-CB 4.08Å; T467-A476 HydrophobicContact CG2-CB 4.03Å; T467-V490 HydrophobicContact CG2-CG2 3.59Å; T467-V490 WeakPolarHBondContact OG1-CG2 3.45Å; T467-F491 PolarHBondContact N-O 3.49Å; T467-F491 PolarHBondContact OG1-O 2.95Å; T467-P492 WeakPolarHBondContact O-CA 3.4Å; T467-P492 WeakPolarHBondContact OG1-CA 3.46Å; T467-L493 PolarHBondContact O-N 3.33Å; T467-M546 WeakPolarHBondContact CA-O 3.46Å; T467-M546 HydrophobicContact CG2-CB 4.07Å; T467-M546 HydrophobicContact CG2-CG 4.25Å; T467-M546 HydrophobicContact CG2-SD 4.14Å
468	E	89.4	Confident	90.6	Very high	44 Å²	44	35.4 Å²	35.4	21%	0.206	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	108	172.5	-176.8	157.8	-161.5	0	0	110.9	A472 M546 A547 D548 I556	E468-A472 VanDerWaalsContact O-CB 3.28Å; E468-A472 WeakPolarHBondContact O-CB 3.47Å; E468-M546 PolarHBondContact N-O 3.22Å; E468-A547 HydrophobicContact CB-CB 4.41Å; E468-A547 WeakPolarHBondContact OE2-CB 3.42Å; E468-D548 PolarHBondContact OE2-N 3.45Å; E468-I556 VanDerWaalsContact CD-CD1 3.45Å; E468-I556 HydrophobicContact CG-CD1 4.13Å; E468-I556 WeakPolarHBondContact OE1-CD1 3.41Å
469	G	87	Confident	90.6	Very high	25 Å²	25	32.6 Å²	32.6	26%	0.258	18%	0.178	S	C	.	.	H	α-helix	trans	62.9	-172.9	-176.8	0	0	0	0	0	114.8	T467 S471 P492 L493	T467-G469 PolarHBondContact O-N 3.49Å; G469-S471 VanDerWaalsContact C-N 3.34Å; G469-P492 VanDerWaalsContact O-CB 3.25Å; G469-P492 WeakPolarHBondContact O-CB 3.3Å; G469-L493 WeakPolarHBondContact CA-O 3.47Å; G469-L493 PolarHBondContact N-O 2.83Å
470	D	86.6	Confident	90.7	Very high	76 Å²	76	33.1 Å²	33.1	41%	0.406	18%	0.18	S	C	.	.	H	α-helix	trans	-78.3	-19.7	178.1	-62.5	-47.1	0	0	0	112.9	K447 K473 T474	K447-D470 WeakPolarHBondContact CD-OD1 3.33Å; K447-D470 WeakPolarHBondContact CE-OD1 3.38Å; K447-D470 IonicContact NZ-OD1 2.75Å; K447-D470 PolarHBondContact NZ-OD1 3.39Å; K447-D470 IonicContact NZ-OD2 2.73Å; K447-D470 PolarHBondContact NZ-OD2 3.31Å; D470-K473 WeakPolarHBondContact O-CB 3.45Å; D470-K473 PolarHBondContact O-N 3.1Å; D470-T474 PolarHBondContact O-N 3.43Å; D470-T474 PolarHBondContact O-OG1 3.17Å; D470-T474 VanDerWaalsContact O-OG1 3.14Å
471	S	84.2	Confident	90.6	Very high	78 Å²	78	33 Å²	33	55%	0.545	19%	0.188	S	C	.	.	H	α-helix	trans	-64.4	-55.2	178.3	-55.7	0	0	0	0	111.2	G469 K473 T474 L475	G469-S471 VanDerWaalsContact C-N 3.34Å; S471-K473 VanDerWaalsContact C-N 3.28Å; S471-K473 PolarHBondContact O-N 3.02Å; S471-T474 PolarHBondContact O-N 3.3Å; S471-T474 VanDerWaalsContact O-N 3.15Å; S471-L475 PolarHBondContact O-N 3.16Å
472	A	85.4	Confident	90.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-31.3	175.7	0	0	0	0	0	112	T467 E468 T474 L475 A476 L623	T467-A472 HydrophobicContact CG2-CB 4.08Å; E468-A472 VanDerWaalsContact O-CB 3.28Å; E468-A472 WeakPolarHBondContact O-CB 3.47Å; A472-T474 PolarHBondContact O-N 2.69Å; A472-L475 WeakPolarHBondContact O-CB 3.36Å; A472-L475 PolarHBondContact O-N 3.3Å; A472-A476 PolarHBondContact O-N 3.39Å; A472-L623 HydrophobicContact CB-CB 4.1Å; A472-L623 HydrophobicContact CB-CD1 3.58Å; A472-L623 HydrophobicContact CB-CG 4.49Å
473	K	89.8	Confident	90.4	Very high	29 Å²	29	30.6 Å²	30.6	13%	0.126	19%	0.191	C	C	.	.	H	α-helix	trans	-56.7	-48.1	170.2	-174.4	-163.4	166.6	173.8	0	111.3	K447 E449 D470 S471 L475 A476 V477 V490 P492	K447-K473 WeakPolarHBondContact O-CE 3.46Å; K447-K473 PolarHBondContact O-NZ 3.38Å; E449-K473 IonicContact OE1-NZ 3.66Å; E449-K473 PolarHBondContact OE1-NZ 2.87Å; D470-K473 WeakPolarHBondContact O-CB 3.45Å; D470-K473 PolarHBondContact O-N 3.1Å; S471-K473 VanDerWaalsContact C-N 3.28Å; S471-K473 PolarHBondContact O-N 3.02Å; K473-L475 VanDerWaalsContact C-N 3.27Å; K473-L475 PolarHBondContact O-N 2.93Å; K473-A476 PolarHBondContact O-N 3.35Å; K473-V477 HydrophobicContact CG-CG2 4.23Å; K473-V477 WeakPolarHBondContact O-CG2 3.35Å; K473-V477 PolarHBondContact O-N 3Å; K473-V490 HydrophobicContact CG-CG1 3.9Å; K473-V490 HydrophobicContact CG-CG2 4.04Å; K473-P492 HydrophobicContact CB-CB 4.23Å; K473-P492 HydrophobicContact CD-CG 4.08Å
474	T	88.6	Confident	90.1	Very high	99 Å²	99	31.7 Å²	31.7	61%	0.607	20%	0.203	S	C	*	.	H	α-helix	trans	-59.8	-39.4	179.6	-63.1	0	0	0	0	111.7	D470 S471 A472 V477 A478	D470-T474 PolarHBondContact O-N 3.43Å; D470-T474 PolarHBondContact O-OG1 3.17Å; D470-T474 VanDerWaalsContact O-OG1 3.14Å; S471-T474 PolarHBondContact O-N 3.3Å; S471-T474 VanDerWaalsContact O-N 3.15Å; A472-T474 PolarHBondContact O-N 2.69Å; T474-V477 PolarHBondContact O-N 2.95Å; T474-A478 PolarHBondContact O-N 3.02Å
475	L	89.8	Confident	89.9	Confident	10 Å²	10	39 Å²	39	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-46.4	174.5	-161	75.5	0	0	0	111.7	S471 A472 K473 V477 A478 G479 M546 L623 S626 A631	S471-L475 PolarHBondContact O-N 3.16Å; A472-L475 WeakPolarHBondContact O-CB 3.36Å; A472-L475 PolarHBondContact O-N 3.3Å; K473-L475 VanDerWaalsContact C-N 3.27Å; K473-L475 PolarHBondContact O-N 2.93Å; L475-V477 PolarHBondContact O-N 2.88Å; L475-A478 WeakPolarHBondContact O-CB 3.29Å; L475-A478 PolarHBondContact O-N 3.37Å; L475-G479 PolarHBondContact O-N 3.06Å; L475-M546 HydrophobicContact CB-CE 4.22Å; L475-M546 HydrophobicContact CD2-CE 3.7Å; L475-M546 HydrophobicContact CG-CE 4.15Å; L475-L623 HydrophobicContact CD2-CB 3.96Å; L475-L623 HydrophobicContact CD2-CD2 3.85Å; L475-L623 HydrophobicContact CD2-CG 4.44Å; L475-S626 WeakPolarHBondContact CD1-O 3.34Å; L475-A631 HydrophobicContact CD1-CB 3.57Å; L475-A631 HydrophobicContact CG-CB 4.01Å
476	A	90.6	Very high	89.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-39.8	176.6	0	0	0	0	0	113.1	I465 T467 A472 K473 A478 G479 F480 V490 M546 F635	I465-A476 HydrophobicContact CD1-CB 4.32Å; I465-A476 HydrophobicContact CG2-CB 4.41Å; T467-A476 HydrophobicContact CG2-CB 4.03Å; A472-A476 PolarHBondContact O-N 3.39Å; K473-A476 PolarHBondContact O-N 3.35Å; A476-A478 VanDerWaalsContact C-N 3.31Å; A476-A478 PolarHBondContact O-N 3.38Å; A476-G479 WeakPolarHBondContact O-CA 3.37Å; A476-G479 PolarHBondContact O-N 3.47Å; A476-G479 VanDerWaalsContact O-N 3.1Å; A476-F480 VanDerWaalsContact O-CD1 3.31Å; A476-F480 WeakPolarHBondContact O-CD1 3.36Å; A476-F480 PolarHBondContact O-N 3.12Å; A476-V490 HydrophobicContact CB-CB 4.41Å; A476-V490 HydrophobicContact CB-CG2 3.99Å; A476-M546 HydrophobicContact CB-SD 3.9Å; A476-F635 HydrophobicContact CB-CZ 4.4Å
477	V	91.1	Very high	89.7	Confident	47 Å²	47	45.6 Å²	45.6	29%	0.285	26%	0.262	S	S	.	.	H	α-helix	trans	-65.9	-33.1	176.3	172.5	0	0	0	0	111.7	E449 K473 T474 L475 F480 V490	E449-V477 HydrophobicContact CG-CG2 4.16Å; K473-V477 HydrophobicContact CG-CG2 4.23Å; K473-V477 WeakPolarHBondContact O-CG2 3.35Å; K473-V477 PolarHBondContact O-N 3Å; T474-V477 PolarHBondContact O-N 2.95Å; L475-V477 PolarHBondContact O-N 2.88Å; V477-F480 HydrophobicContact CG2-CD2 4.46Å; V477-F480 HydrophobicContact CG2-CE2 4.27Å; V477-F480 WeakPolarHBondContact O-CB 3.38Å; V477-F480 PolarHBondContact O-N 3.33Å; V477-V490 HydrophobicContact CG2-CG1 3.8Å
478	A	90.5	Very high	89.7	Confident	23 Å²	23	46.7 Å²	46.7	19%	0.19	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-42	169.3	0	0	0	0	0	111.4	T474 L475 A476 F480 S481 A628 A631	T474-A478 PolarHBondContact O-N 3.02Å; L475-A478 WeakPolarHBondContact O-CB 3.29Å; L475-A478 PolarHBondContact O-N 3.37Å; A476-A478 VanDerWaalsContact C-N 3.31Å; A476-A478 PolarHBondContact O-N 3.38Å; A478-F480 VanDerWaalsContact C-N 3.25Å; A478-F480 PolarHBondContact O-N 3.31Å; A478-S481 WeakPolarHBondContact O-CB 3.25Å; A478-S481 PolarHBondContact O-N 3.02Å; A478-S481 PolarHBondContact O-OG 2.85Å; A478-A628 HydrophobicContact CB-CB 4.32Å; A478-A631 HydrophobicContact CB-CB 3.95Å
479	G	89.4	Confident	90	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.1	-31.3	174.1	0	0	0	0	0	114.6	L475 A476 S481 V482 V483 F635	L475-G479 PolarHBondContact O-N 3.06Å; A476-G479 WeakPolarHBondContact O-CA 3.37Å; A476-G479 PolarHBondContact O-N 3.47Å; A476-G479 VanDerWaalsContact O-N 3.1Å; G479-S481 PolarHBondContact O-N 3.49Å; G479-S481 VanDerWaalsContact O-N 3.08Å; G479-V482 PolarHBondContact O-N 3.4Å; G479-V483 PolarHBondContact O-N 3.42Å; G479-F635 VanDerWaalsContact CA-CG 3.45Å
480	F	90.7	Very high	90.3	Very high	12 Å²	12	43.4 Å²	43.4	5%	0.053	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-17.7	174.1	-64.1	-12.9	0	0	0	114.3	E449 I465 A476 V477 A478 V482 V483 G484 R485 F488 V490	E449-F480 HydrophobicContact CB-CE2 4.22Å; I465-F480 HydrophobicContact CD1-CE1 4.04Å; A476-F480 VanDerWaalsContact O-CD1 3.31Å; A476-F480 WeakPolarHBondContact O-CD1 3.36Å; A476-F480 PolarHBondContact O-N 3.12Å; V477-F480 HydrophobicContact CG2-CD2 4.46Å; V477-F480 HydrophobicContact CG2-CE2 4.27Å; V477-F480 WeakPolarHBondContact O-CB 3.38Å; V477-F480 PolarHBondContact O-N 3.33Å; A478-F480 VanDerWaalsContact C-N 3.25Å; A478-F480 PolarHBondContact O-N 3.31Å; F480-V482 PolarHBondContact O-N 3.35Å; F480-V483 HydrophobicContact CD1-CG2 4.33Å; F480-G484 VanDerWaalsContact O-CA 3.31Å; F480-G484 WeakPolarHBondContact O-CA 3.5Å; F480-G484 PolarHBondContact O-N 2.99Å; F480-R485 HydrophobicContact CB-CG 4.1Å; F480-R485 HydrophobicContact CD2-CG 4.05Å; F480-R485 HydrophobicContact CG-CG 4.33Å; F480-F488 HydrophobicContact CD1-CB 4.05Å; F480-F488 HydrophobicContact CE1-CB 3.7Å; F480-F488 HydrophobicContact CZ-CB 4.47Å; F480-V490 HydrophobicContact CE2-CB 4.45Å; F480-V490 HydrophobicContact CE2-CG1 3.82Å; F480-V490 HydrophobicContact CZ-CB 3.8Å; F480-V490 HydrophobicContact CZ-CG1 3.66Å
481	S	88.4	Confident	90.7	Very high	82 Å²	82	40.1 Å²	40.1	57%	0.573	23%	0.227	S	C	*	.	H	α-helix	trans	-70.4	-14.8	171.8	66.7	0	0	0	0	113.7	A478 G479 K632	A478-S481 WeakPolarHBondContact O-CB 3.25Å; A478-S481 PolarHBondContact O-N 3.02Å; A478-S481 PolarHBondContact O-OG 2.85Å; G479-S481 PolarHBondContact O-N 3.49Å; G479-S481 VanDerWaalsContact O-N 3.08Å; S481-K632 WeakPolarHBondContact OG-CE 3.39Å
482	V	90.2	Very high	91.2	Very high	68 Å²	68	36.6 Å²	36.6	41%	0.412	20%	0.202	S	C	.	.	H	α-helix	trans	-103.8	-49.8	176.4	-176.9	0	0	0	0	111.2	G479 F480 K632 F635	G479-V482 PolarHBondContact O-N 3.4Å; F480-V482 PolarHBondContact O-N 3.35Å; V482-K632 HydrophobicContact CG2-CB 3.76Å; V482-K632 HydrophobicContact CG2-CG 3.93Å; V482-F635 HydrophobicContact CB-CB 4.26Å
483	V	90.4	Very high	91.5	Very high	37 Å²	37	36.8 Å²	36.8	22%	0.224	20%	0.203	C	C	.	.	H	α-helix	trans	-90.1	-10.1	-174.1	-60.6	0	0	0	0	115.1	G479 F480 F488 F635 M638	G479-V483 PolarHBondContact O-N 3.42Å; F480-V483 HydrophobicContact CD1-CG2 4.33Å; V483-F488 HydrophobicContact CB-CD2 3.8Å; V483-F488 HydrophobicContact CB-CE2 3.69Å; V483-F488 HydrophobicContact CB-CZ 4.34Å; V483-F488 HydrophobicContact CG1-CE2 4.45Å; V483-F488 HydrophobicContact CG2-CB 4.33Å; V483-F488 HydrophobicContact CG2-CD1 4.44Å; V483-F488 HydrophobicContact CG2-CD2 3.54Å; V483-F488 HydrophobicContact CG2-CE2 3.9Å; V483-F488 HydrophobicContact CG2-CG 3.85Å; V483-F488 HydrophobicContact CG2-CZ 4.47Å; V483-F635 HydrophobicContact CG1-CB 4.35Å; V483-F635 HydrophobicContact CG1-CD1 3.9Å; V483-F635 HydrophobicContact CG2-CD1 3.84Å; V483-F635 HydrophobicContact CG2-CE1 4.24Å; V483-M638 HydrophobicContact CG1-CE 4.2Å
484	G	89.3	Confident	91.1	Very high	29 Å²	29	44.1 Å²	44.1	30%	0.299	23%	0.23	S	C	.	.			trans	77.6	159.5	-178.4	0	0	0	0	0	114.6	F480	F480-G484 VanDerWaalsContact O-CA 3.31Å; F480-G484 WeakPolarHBondContact O-CA 3.5Å; F480-G484 PolarHBondContact O-N 2.99Å
485	R	92	Very high	90.8	Very high	153 Å²	153	40.9 Å²	40.9	58%	0.577	22%	0.216	S	C	*	.	S	Bend	trans	-90.4	-0.8	-178.5	-68.2	-179.6	176.5	160.3	-2.9	114.5	A451 N452 F480	A451-R485 CarbonylContact C-O 3.54Å; A451-R485 WeakPolarHBondContact CA-O 2.87Å; N452-R485 PolarHBondContact N-O 3.5Å; F480-R485 HydrophobicContact CB-CG 4.1Å; F480-R485 HydrophobicContact CD2-CG 4.05Å; F480-R485 HydrophobicContact CG-CG 4.33Å
486	D	92.2	Very high	90.6	Very high	82 Å²	82	44.5 Å²	44.5	44%	0.439	23%	0.232	S	C	.	.	S	Bend	trans	-76.5	-42.6	-173.1	-64	-23.5	0	0	0	112	N452 E453	N452-D486 PolarHBondContact N-O 3.41Å; N452-D486 PolarHBondContact ND2-OD1 3.33Å; E453-D486 VanDerWaalsContact CB-O 3.31Å; E453-D486 WeakPolarHBondContact CB-O 3.42Å; E453-D486 PolarHBondContact N-O 2.89Å
487	Y	94.3	Very high	90.6	Very high	62 Å²	62	45 Å²	45	24%	0.243	23%	0.234	C	C	.	.	S	Bend	trans	-110.5	0.8	-178.5	-55.1	-66.3	0	0	0	114.1	E453 N458 R461 C462 T463	E453-Y487 HydrophobicContact CB-CD1 4.3Å; E453-Y487 HydrophobicContact CB-CE1 4.28Å; E453-Y487 HydrophobicContact CG-CD1 4.48Å; E453-Y487 HydrophobicContact CG-CE1 4.06Å; N458-Y487 HydrophobicContact CB-CE1 4.3Å; R461-Y487 HydrophobicContact CB-CD1 3.76Å; R461-Y487 HydrophobicContact CB-CE1 4.01Å; R461-Y487 PolarHBondContact NH1-OH 3.04Å; C462-Y487 CarbonylContact C-O 3.5Å; C462-Y487 VanDerWaalsContact CA-O 3.26Å; C462-Y487 WeakPolarHBondContact CA-O 3.38Å; T463-Y487 PolarHBondContact N-O 3.39Å
488	F	94.5	Very high	90.5	Very high	25 Å²	25	45.5 Å²	45.5	11%	0.11	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.6	179.3	-66	-88.1	0	0	0	111.1	A451 T463 I465 F480 V483	A451-F488 WeakPolarHBondContact CB-O 3.28Å; T463-F488 HydrophobicContact CG2-CE1 4.4Å; I465-F488 HydrophobicContact CD1-CD1 4.35Å; F480-F488 HydrophobicContact CD1-CB 4.05Å; F480-F488 HydrophobicContact CE1-CB 3.7Å; F480-F488 HydrophobicContact CZ-CB 4.47Å; V483-F488 HydrophobicContact CB-CD2 3.8Å; V483-F488 HydrophobicContact CB-CE2 3.69Å; V483-F488 HydrophobicContact CB-CZ 4.34Å; V483-F488 HydrophobicContact CG1-CE2 4.45Å; V483-F488 HydrophobicContact CG2-CB 4.33Å; V483-F488 HydrophobicContact CG2-CD1 4.44Å; V483-F488 HydrophobicContact CG2-CD2 3.54Å; V483-F488 HydrophobicContact CG2-CE2 3.9Å; V483-F488 HydrophobicContact CG2-CG 3.85Å; V483-F488 HydrophobicContact CG2-CZ 4.47Å
489	G	94.5	Very high	90.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	163.4	170.7	0	0	0	0	0	109.6	E449 T463 I465	E449-G489 CarbonylContact O-C 3.45Å; E449-G489 WeakPolarHBondContact O-CA 3.11Å; T463-G489 PolarHBondContact O-N 3.13Å; I465-G489 PolarHBondContact N-O 3.02Å
490	V	94.9	Very high	90.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	141.1	179.5	63.4	0	0	0	0	112.4	E449 I465 T467 K473 A476 V477 F480	E449-V490 HydrophobicContact CB-CG1 3.86Å; E449-V490 HydrophobicContact CG-CG1 3.82Å; E449-V490 PolarHBondContact N-O 2.84Å; E449-V490 PolarHBondContact O-N 2.69Å; I465-V490 HydrophobicContact CB-CB 4.27Å; I465-V490 HydrophobicContact CB-CG2 4.17Å; I465-V490 HydrophobicContact CG2-CG2 4.45Å; I465-V490 VanDerWaalsContact O-CA 3.29Å; I465-V490 WeakPolarHBondContact O-CA 3.5Å; T467-V490 HydrophobicContact CG2-CG2 3.59Å; T467-V490 WeakPolarHBondContact OG1-CG2 3.45Å; K473-V490 HydrophobicContact CG-CG1 3.9Å; K473-V490 HydrophobicContact CG-CG2 4.04Å; A476-V490 HydrophobicContact CB-CB 4.41Å; A476-V490 HydrophobicContact CB-CG2 3.99Å; V477-V490 HydrophobicContact CG2-CG1 3.8Å; F480-V490 HydrophobicContact CE2-CB 4.45Å; F480-V490 HydrophobicContact CE2-CG1 3.82Å; F480-V490 HydrophobicContact CZ-CB 3.8Å; F480-V490 HydrophobicContact CZ-CG1 3.66Å
491	F	95	Very high	90.4	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.9	172.2	-177.3	-105.8	0	0	0	110.5	V445 L448 L464 I465 L466 T467 L493 L517 I520	V445-F491 HydrophobicContact CG1-CD2 4.31Å; V445-F491 HydrophobicContact CG1-CE2 3.79Å; L448-F491 HydrophobicContact CB-CD2 4.08Å; L448-F491 HydrophobicContact CD1-CB 4.11Å; L448-F491 HydrophobicContact CD1-CD2 4.38Å; L464-F491 HydrophobicContact CD1-CB 4.35Å; I465-F491 PolarHBondContact O-N 2.83Å; L466-F491 WeakPolarHBondContact CA-O 3.35Å; L466-F491 HydrophobicContact CD2-CB 4.05Å; L466-F491 HydrophobicContact CD2-CD1 4.2Å; T467-F491 PolarHBondContact N-O 3.49Å; T467-F491 PolarHBondContact OG1-O 2.95Å; F491-L493 HydrophobicContact CD1-CD2 4.29Å; F491-L493 HydrophobicContact CE1-CD2 4.23Å; F491-L517 HydrophobicContact CD1-CD2 3.8Å; F491-L517 HydrophobicContact CE1-CD2 4.08Å; F491-L517 HydrophobicContact CE1-CG 4.48Å; F491-I520 HydrophobicContact CB-CD1 3.97Å; F491-I520 HydrophobicContact CD1-CD1 3.76Å; F491-I520 HydrophobicContact CD2-CD1 3.53Å; F491-I520 HydrophobicContact CE1-CD1 4.11Å; F491-I520 HydrophobicContact CE2-CD1 3.9Å; F491-I520 HydrophobicContact CG-CD1 3.46Å; F491-I520 VanDerWaalsContact CG-CD1 3.46Å; F491-I520 HydrophobicContact CZ-CD1 4.17Å
492	P	93.8	Very high	90.1	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.032	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	134.7	175	32.1	-31.8	0	0	0	111	K447 T467 G469 K473	K447-P492 HydrophobicContact CB-CG 3.63Å; K447-P492 HydrophobicContact CD-CG 3.68Å; K447-P492 HydrophobicContact CG-CG 4.31Å; T467-P492 WeakPolarHBondContact O-CA 3.4Å; T467-P492 WeakPolarHBondContact OG1-CA 3.46Å; G469-P492 VanDerWaalsContact O-CB 3.25Å; G469-P492 WeakPolarHBondContact O-CB 3.3Å; K473-P492 HydrophobicContact CB-CB 4.23Å; K473-P492 HydrophobicContact CD-CG 4.08Å
493	L	91.7	Very high	89.8	Confident	4 Å²	4	44 Å²	44	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	144.7	164.9	-57.4	-180	0	0	0	109.2	T467 G469 F491 G495 E513 L517 I556 L560	T467-L493 PolarHBondContact O-N 3.33Å; G469-L493 WeakPolarHBondContact CA-O 3.47Å; G469-L493 PolarHBondContact N-O 2.83Å; F491-L493 HydrophobicContact CD1-CD2 4.29Å; F491-L493 HydrophobicContact CE1-CD2 4.23Å; L493-G495 PolarHBondContact O-N 3.33Å; L493-E513 WeakPolarHBondContact CA-OE2 3.18Å; L493-L517 HydrophobicContact CD2-CD1 4.08Å; L493-L517 HydrophobicContact CD2-CD2 4.1Å; L493-L517 HydrophobicContact CD2-CG 4.41Å; L493-I556 HydrophobicContact CD1-CG2 4.07Å; L493-L560 HydrophobicContact CD1-CD1 3.95Å; L493-L560 HydrophobicContact CD1-CD2 4.19Å; L493-L560 HydrophobicContact CD1-CG 4.31Å
494	R	81.9	Confident	89.4	Confident	183 Å²	183	45.1 Å²	45.1	69%	0.691	22%	0.222	S	C	*	.			trans	-72.3	-14.5	175.9	-65	178.4	-152.5	-145.9	-0	114.2	E513	R494-E513 WeakPolarHBondContact CD-OE1 3.4Å; R494-E513 WeakPolarHBondContact CG-OE2 3.39Å; R494-E513 IonicContact CZ-OE1 3.2Å; R494-E513 PolarHBondContact N-OE2 2.6Å; R494-E513 IonicContact NE-OE1 3.8Å; R494-E513 PolarHBondContact NE-OE1 2.8Å; R494-E513 IonicContact NH2-OE1 2.73Å
495	G	82.2	Confident	88.7	Confident	30 Å²	30	49.5 Å²	49.5	31%	0.309	23%	0.231	S	C	.	.	S	Bend	trans	153.8	-154.3	-173.5	0	0	0	0	0	110.8	L493 L497	L493-G495 PolarHBondContact O-N 3.33Å; G495-L497 PolarHBondContact O-N 2.83Å
496	K	85.3	Confident	88.1	Confident	87 Å²	87	50.6 Å²	50.6	38%	0.378	24%	0.24	S	C	.	.	S	Bend	trans	-59.5	125	-176.5	-71.1	153.6	-174.4	168.2	0	112.1	D552 I556 L559 I1573	K496-D552 WeakPolarHBondContact CE-OD1 3.46Å; K496-D552 IonicContact NZ-OD1 3.3Å; K496-D552 PolarHBondContact NZ-OD1 2.7Å; K496-I556 HydrophobicContact CG-CD1 4.47Å; K496-I556 HydrophobicContact CG-CG1 4.14Å; K496-L559 HydrophobicContact CB-CD1 4.29Å; K496-I1573 HydrophobicContact CD-CD1 4.32Å; K496-I1573 VanDerWaalsContact NZ-CD1 3.29Å
497	L	89.6	Confident	87.6	Confident	10 Å²	10	51.8 Å²	51.8	5%	0.052	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-73	143	-179	-168.8	71.6	0	0	0	111	G495 N499 E513 I514 L517 L559 L560 F563	G495-L497 PolarHBondContact O-N 2.83Å; L497-N499 PolarHBondContact O-N 2.78Å; L497-E513 HydrophobicContact CD1-CB 4.28Å; L497-I514 HydrophobicContact CD1-CG1 3.84Å; L497-I514 HydrophobicContact CG-CG1 4.45Å; L497-L517 HydrophobicContact CD1-CD1 4.1Å; L497-L559 HydrophobicContact CB-CB 4.19Å; L497-L559 WeakPolarHBondContact O-CD1 3.43Å; L497-L560 HydrophobicContact CD2-CD2 3.9Å; L497-L560 HydrophobicContact CD2-CG 4.37Å; L497-F563 HydrophobicContact CD2-CB 3.79Å; L497-F563 HydrophobicContact CD2-CD1 4.2Å; L497-F563 HydrophobicContact CD2-CG 4Å
498	L	89.5	Confident	87.1	Confident	58 Å²	58	49.4 Å²	49.4	30%	0.304	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-61.9	126.5	176.2	174.5	65.5	0	0	0	111.2	V500 A503 Q507 N511 I514	L498-V500 PolarHBondContact O-N 3.36Å; L498-A503 HydrophobicContact CD1-CB 4.16Å; L498-A503 HydrophobicContact CD2-CB 3.84Å; L498-A503 HydrophobicContact CG-CB 3.99Å; L498-Q507 HydrophobicContact CD2-CB 4.3Å; L498-N511 HydrophobicContact CD2-CB 4.31Å; L498-I514 HydrophobicContact CB-CD1 4.02Å; L498-I514 HydrophobicContact CD2-CD1 4.31Å
499	N	91.5	Very high	86.2	Confident	39 Å²	39	49.7 Å²	49.7	21%	0.209	24%	0.236	C	C	.	.			trans	-65.4	93.6	172.5	-179.7	1.5	0	0	0	110.8	L497 R501 E502 A503 L559 N562 F660	L497-N499 PolarHBondContact O-N 2.78Å; N499-R501 VanDerWaalsContact C-N 3.27Å; N499-R501 PolarHBondContact O-N 3.43Å; N499-R501 WeakPolarHBondContact OD1-CB 3.27Å; N499-R501 PolarHBondContact OD1-N 3.05Å; N499-E502 PolarHBondContact O-N 2.92Å; N499-E502 VanDerWaalsContact O-N 3.17Å; N499-A503 PolarHBondContact O-N 2.83Å; N499-L559 HydrophobicContact CB-CD2 4.06Å; N499-N562 PolarHBondContact OD1-ND2 3.15Å; N499-F660 PolarHBondContact ND2-O 2.99Å
500	V	89.1	Confident	85.7	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.012	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-62	-27.2	-175.1	-66.8	0	0	0	0	114.9	L498 E502 A503 I508 I514 F563 H566	L498-V500 PolarHBondContact O-N 3.36Å; V500-E502 PolarHBondContact O-N 2.92Å; V500-A503 PolarHBondContact O-N 2.55Å; V500-I508 HydrophobicContact CB-CD1 4.1Å; V500-I508 HydrophobicContact CB-CG1 4.47Å; V500-I508 HydrophobicContact CG1-CD1 4.41Å; V500-I508 HydrophobicContact CG1-CG1 4.33Å; V500-I508 HydrophobicContact CG1-CG2 4.38Å; V500-I514 HydrophobicContact CG1-CD1 3.52Å; V500-F563 HydrophobicContact CG1-CD2 3.81Å; V500-F563 HydrophobicContact CG1-CE2 4.44Å; V500-F563 HydrophobicContact CG2-CB 4.32Å; V500-F563 HydrophobicContact CG2-CD2 4.08Å; V500-H566 HydrophobicContact CG2-CB 4.15Å
501	R	88.5	Confident	85.3	Confident	40 Å²	40	55.4 Å²	55.4	15%	0.151	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-62.7	-23.1	178.4	-179	179.8	-72.4	-89.9	8.7	112.3	N499 N562 H565 E657	N499-R501 VanDerWaalsContact C-N 3.27Å; N499-R501 PolarHBondContact O-N 3.43Å; N499-R501 WeakPolarHBondContact OD1-CB 3.27Å; N499-R501 PolarHBondContact OD1-N 3.05Å; R501-N562 PolarHBondContact NE-OD1 3.5Å; R501-H565 PolarHBondContact NH2-ND1 3.47Å; R501-E657 IonicContact CZ-OE1 3.12Å; R501-E657 IonicContact NH1-OE1 2.68Å; R501-E657 PolarHBondContact NH1-OE1 3Å; R501-E657 IonicContact NH2-OE1 3.31Å; R501-E657 PolarHBondContact NH2-OE1 3.48Å
502	E	82.5	Confident	84.9	Confident	56 Å²	56	57.6 Å²	57.6	26%	0.262	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-120.5	3.2	-170.2	-71.4	-59.5	156.4	0	0	113.3	N499 V500 K662	N499-E502 PolarHBondContact O-N 2.92Å; N499-E502 VanDerWaalsContact O-N 3.17Å; V500-E502 PolarHBondContact O-N 2.92Å; E502-K662 VanDerWaalsContact CD-CG 3.43Å; E502-K662 HydrophobicContact CG-CD 4.47Å; E502-K662 HydrophobicContact CG-CG 3.98Å; E502-K662 PolarHBondContact O-NZ 3.43Å; E502-K662 WeakPolarHBondContact OE1-CB 2.99Å; E502-K662 PolarHBondContact OE1-N 2.97Å; E502-K662 WeakPolarHBondContact OE2-CD 3.35Å; E502-K662 VanDerWaalsContact OE2-CE 3.23Å; E502-K662 WeakPolarHBondContact OE2-CE 3.29Å; E502-K662 VanDerWaalsContact OE2-CG 3.27Å; E502-K662 WeakPolarHBondContact OE2-CG 3.11Å; E502-K662 IonicContact OE2-NZ 3.54Å; E502-K662 PolarHBondContact OE2-NZ 3.09Å
503	A	82.4	Confident	84.6	Confident	17 Å²	17	58.4 Å²	58.4	14%	0.14	30%	0.3	C	S	.	.	S	Bend	trans	-101.6	139.8	-179.9	0	0	0	0	0	110.9	L498 N499 V500 Q507 I508	L498-A503 HydrophobicContact CD1-CB 4.16Å; L498-A503 HydrophobicContact CD2-CB 3.84Å; L498-A503 HydrophobicContact CG-CB 3.99Å; N499-A503 PolarHBondContact O-N 2.83Å; V500-A503 PolarHBondContact O-N 2.55Å; A503-Q507 HydrophobicContact CB-CB 4.26Å; A503-I508 HydrophobicContact CB-CD1 4.38Å; A503-I508 HydrophobicContact CB-CG1 3.82Å
504	S	81.9	Confident	84.5	Confident	59 Å²	59	58.2 Å²	58.2	41%	0.413	30%	0.299	S	S	.	.			trans	-63.8	150.7	171.2	66.2	0	0	0	0	110.9	K506 Q507 I508	S504-K506 PolarHBondContact O-N 2.94Å; S504-Q507 WeakPolarHBondContact O-CA 3.39Å; S504-Q507 WeakPolarHBondContact O-CB 3.5Å; S504-Q507 PolarHBondContact O-N 2.88Å; S504-Q507 WeakPolarHBondContact OG-CG 3.07Å; S504-Q507 PolarHBondContact OG-N 2.92Å; S504-Q507 PolarHBondContact OG-OE1 3.07Å; S504-I508 PolarHBondContact O-N 2.78Å; S504-I508 VanDerWaalsContact O-N 3.08Å
505	Y	74.9	Confident	84.8	Confident	122 Å²	122	50.4 Å²	50.4	48%	0.478	27%	0.271	S	S	.	.	H	α-helix	trans	-51.4	-36.8	177.3	-174.8	-106	0	0	0	112.6	L430 Q507 I508 M509	L430-Y505 HydrophobicContact CD2-CE1 3.94Å; L430-Y505 WeakPolarHBondContact CD2-OH 3.43Å; Y505-Q507 PolarHBondContact O-N 3.35Å; Y505-I508 PolarHBondContact O-N 3.44Å; Y505-M509 HydrophobicContact CD1-CG 3.96Å; Y505-M509 HydrophobicContact CD2-CE 4.49Å; Y505-M509 HydrophobicContact CD2-CG 4.32Å; Y505-M509 HydrophobicContact CE1-CG 3.48Å; Y505-M509 VanDerWaalsContact CE1-CG 3.48Å; Y505-M509 HydrophobicContact CE1-SD 4.29Å; Y505-M509 HydrophobicContact CE2-CE 3.8Å; Y505-M509 HydrophobicContact CE2-CG 3.87Å; Y505-M509 HydrophobicContact CE2-SD 4.03Å; Y505-M509 HydrophobicContact CG-CG 4.35Å; Y505-M509 VanDerWaalsContact CZ-CG 3.4Å; Y505-M509 WeakPolarHBondContact O-CB 3.47Å; Y505-M509 VanDerWaalsContact O-CG 3.32Å; Y505-M509 WeakPolarHBondContact O-CG 2.85Å; Y505-M509 PolarHBondContact O-N 2.94Å; Y505-M509 PolarHBondContact OH-SD 2.96Å
506	K	79	Confident	85.2	Confident	176 Å²	176	49.8 Å²	49.8	77%	0.765	26%	0.262	S	S	*	.	H	α-helix	trans	-61.3	-41	174.2	-174.4	-176.6	175.6	-168.8	0	113	S504 A510	S504-K506 PolarHBondContact O-N 2.94Å; K506-A510 VanDerWaalsContact O-CB 3.24Å; K506-A510 WeakPolarHBondContact O-CB 3.43Å; K506-A510 PolarHBondContact O-N 3.31Å
507	Q	83.6	Confident	85.5	Confident	106 Å²	106	45.7 Å²	45.7	50%	0.495	24%	0.244	S	C	.	.	H	α-helix	trans	-69.3	-41.2	176.5	-73.4	160.5	-59.3	0	0	111.5	L498 A503 S504 Y505 A510 N511	L498-Q507 HydrophobicContact CD2-CB 4.3Å; A503-Q507 HydrophobicContact CB-CB 4.26Å; S504-Q507 WeakPolarHBondContact O-CA 3.39Å; S504-Q507 WeakPolarHBondContact O-CB 3.5Å; S504-Q507 PolarHBondContact O-N 2.88Å; S504-Q507 WeakPolarHBondContact OG-CG 3.07Å; S504-Q507 PolarHBondContact OG-N 2.92Å; S504-Q507 PolarHBondContact OG-OE1 3.07Å; Y505-Q507 PolarHBondContact O-N 3.35Å; Q507-A510 PolarHBondContact O-N 3.02Å; Q507-N511 WeakPolarHBondContact O-CB 3.37Å; Q507-N511 PolarHBondContact O-N 2.85Å
508	I	83.9	Confident	85.5	Confident	13 Å²	13	45.5 Å²	45.5	7%	0.067	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-46.7	176.3	-55.4	173.5	0	0	0	110.2	V500 A503 S504 Y505 A510 N511 I514	V500-I508 HydrophobicContact CB-CD1 4.1Å; V500-I508 HydrophobicContact CB-CG1 4.47Å; V500-I508 HydrophobicContact CG1-CD1 4.41Å; V500-I508 HydrophobicContact CG1-CG1 4.33Å; V500-I508 HydrophobicContact CG1-CG2 4.38Å; A503-I508 HydrophobicContact CB-CD1 4.38Å; A503-I508 HydrophobicContact CB-CG1 3.82Å; S504-I508 PolarHBondContact O-N 2.78Å; S504-I508 VanDerWaalsContact O-N 3.08Å; Y505-I508 PolarHBondContact O-N 3.44Å; I508-A510 VanDerWaalsContact C-N 3.32Å; I508-A510 PolarHBondContact O-N 3.31Å; I508-N511 PolarHBondContact O-N 2.86Å; I508-I514 HydrophobicContact CG2-CD1 4.44Å; I508-I514 HydrophobicContact CG2-CG2 4.06Å
509	M	75.5	Confident	85.4	Confident	31 Å²	31	46.8 Å²	46.8	15%	0.153	25%	0.247	C	C	.	.	H	α-helix	trans	-70.4	-23.5	178.6	-67.6	-58.2	101	0	0	113.9	Q433 Y505 N515 Y525	Q433-M509 PolarHBondContact OE1-SD 3Å; Y505-M509 HydrophobicContact CD1-CG 3.96Å; Y505-M509 HydrophobicContact CD2-CE 4.49Å; Y505-M509 HydrophobicContact CD2-CG 4.32Å; Y505-M509 HydrophobicContact CE1-CG 3.48Å; Y505-M509 VanDerWaalsContact CE1-CG 3.48Å; Y505-M509 HydrophobicContact CE1-SD 4.29Å; Y505-M509 HydrophobicContact CE2-CE 3.8Å; Y505-M509 HydrophobicContact CE2-CG 3.87Å; Y505-M509 HydrophobicContact CE2-SD 4.03Å; Y505-M509 HydrophobicContact CG-CG 4.35Å; Y505-M509 VanDerWaalsContact CZ-CG 3.4Å; Y505-M509 WeakPolarHBondContact O-CB 3.47Å; Y505-M509 VanDerWaalsContact O-CG 3.32Å; Y505-M509 WeakPolarHBondContact O-CG 2.85Å; Y505-M509 PolarHBondContact O-N 2.94Å; Y505-M509 PolarHBondContact OH-SD 2.96Å; M509-N515 PolarHBondContact O-ND2 2.9Å; M509-Y525 HydrophobicContact CE-CD2 4.4Å; M509-Y525 HydrophobicContact CE-CE1 4.49Å; M509-Y525 HydrophobicContact CE-CE2 3.67Å
510	A	82.8	Confident	85.4	Confident	79 Å²	79	45 Å²	45	65%	0.653	24%	0.237	S	C	*	.	H	α-helix	trans	-80.7	-25.8	172.8	0	0	0	0	0	113.1	K506 Q507 I508 A512	K506-A510 VanDerWaalsContact O-CB 3.24Å; K506-A510 WeakPolarHBondContact O-CB 3.43Å; K506-A510 PolarHBondContact O-N 3.31Å; Q507-A510 PolarHBondContact O-N 3.02Å; I508-A510 VanDerWaalsContact C-N 3.32Å; I508-A510 PolarHBondContact O-N 3.31Å; A510-A512 PolarHBondContact O-N 3.15Å
511	N	86	Confident	85.5	Confident	40 Å²	40	45 Å²	45	21%	0.214	24%	0.237	C	C	.	.			trans	-70.2	117.3	-176.1	-175	-68.1	0	0	0	111.7	L498 Q507 I508 E513 I514 N515	L498-N511 HydrophobicContact CD2-CB 4.31Å; Q507-N511 WeakPolarHBondContact O-CB 3.37Å; Q507-N511 PolarHBondContact O-N 2.85Å; I508-N511 PolarHBondContact O-N 2.86Å; N511-E513 WeakPolarHBondContact OD1-CB 3.19Å; N511-E513 PolarHBondContact OD1-N 3.35Å; N511-I514 HydrophobicContact CB-CB 4.39Å; N511-I514 HydrophobicContact CB-CD1 4.08Å; N511-I514 HydrophobicContact CB-CG1 4.48Å; N511-I514 PolarHBondContact OD1-N 3.09Å; N511-N515 WeakPolarHBondContact O-CB 3.35Å; N511-N515 PolarHBondContact O-N 3.29Å; N511-N515 PolarHBondContact O-ND2 2.78Å
512	A	86.9	Confident	85.5	Confident	52 Å²	52	43.9 Å²	43.9	43%	0.43	24%	0.238	S	C	.	.	H	α-helix	trans	-71.5	-29.2	-175.7	0	0	0	0	0	114	A510 S516	A510-A512 PolarHBondContact O-N 3.15Å; A512-S516 WeakPolarHBondContact O-CB 3.24Å; A512-S516 PolarHBondContact O-N 2.91Å; A512-S516 VanDerWaalsContact O-N 3.07Å; A512-S516 PolarHBondContact O-OG 3.16Å
513	E	88.6	Confident	85.8	Confident	23 Å²	23	41.4 Å²	41.4	11%	0.107	23%	0.227	C	C	.	.	H	α-helix	trans	-68.8	-53.7	179.4	-59.4	-70.1	95.2	0	0	110.2	L493 R494 L497 N511 N515 S516 L517	L493-E513 WeakPolarHBondContact CA-OE2 3.18Å; R494-E513 WeakPolarHBondContact CD-OE1 3.4Å; R494-E513 WeakPolarHBondContact CG-OE2 3.39Å; R494-E513 IonicContact CZ-OE1 3.2Å; R494-E513 PolarHBondContact N-OE2 2.6Å; R494-E513 IonicContact NE-OE1 3.8Å; R494-E513 PolarHBondContact NE-OE1 2.8Å; R494-E513 IonicContact NH2-OE1 2.73Å; L497-E513 HydrophobicContact CD1-CB 4.28Å; N511-E513 WeakPolarHBondContact OD1-CB 3.19Å; N511-E513 PolarHBondContact OD1-N 3.35Å; E513-N515 VanDerWaalsContact C-N 3.34Å; E513-N515 PolarHBondContact O-N 2.96Å; E513-S516 WeakPolarHBondContact O-CA 3.41Å; E513-S516 WeakPolarHBondContact O-CB 3.45Å; E513-S516 PolarHBondContact O-N 3.32Å; E513-L517 WeakPolarHBondContact O-CG 3.34Å; E513-L517 PolarHBondContact O-N 3.31Å
514	I	89.7	Confident	85.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.7	-47.9	177.5	-68.3	167.3	0	0	0	110.4	L497 L498 V500 I508 N511 S516 L517 V518 Y525 F563	L497-I514 HydrophobicContact CD1-CG1 3.84Å; L497-I514 HydrophobicContact CG-CG1 4.45Å; L498-I514 HydrophobicContact CB-CD1 4.02Å; L498-I514 HydrophobicContact CD2-CD1 4.31Å; V500-I514 HydrophobicContact CG1-CD1 3.52Å; I508-I514 HydrophobicContact CG2-CD1 4.44Å; I508-I514 HydrophobicContact CG2-CG2 4.06Å; N511-I514 HydrophobicContact CB-CB 4.39Å; N511-I514 HydrophobicContact CB-CD1 4.08Å; N511-I514 HydrophobicContact CB-CG1 4.48Å; N511-I514 PolarHBondContact OD1-N 3.09Å; I514-S516 PolarHBondContact O-N 3.08Å; I514-L517 PolarHBondContact O-N 2.83Å; I514-V518 HydrophobicContact CG2-CG2 4.37Å; I514-V518 WeakPolarHBondContact O-CG2 3.26Å; I514-V518 PolarHBondContact O-N 3.03Å; I514-Y525 WeakPolarHBondContact CG2-OH 3.35Å; I514-F563 HydrophobicContact CG1-CE2 4.49Å; I514-F563 HydrophobicContact CG2-CE2 3.73Å; I514-F563 HydrophobicContact CG2-CZ 4.13Å
515	N	87.1	Confident	85.7	Confident	18 Å²	18	41.7 Å²	41.7	10%	0.096	22%	0.217	C	C	.	.	H	α-helix	trans	-59.4	-25.8	175.4	-90.1	-71.9	0	0	0	113.9	M509 N511 E513 K519	M509-N515 PolarHBondContact O-ND2 2.9Å; N511-N515 WeakPolarHBondContact O-CB 3.35Å; N511-N515 PolarHBondContact O-N 3.29Å; N511-N515 PolarHBondContact O-ND2 2.78Å; E513-N515 VanDerWaalsContact C-N 3.34Å; E513-N515 PolarHBondContact O-N 2.96Å; N515-K519 WeakPolarHBondContact O-CD 3.44Å; N515-K519 WeakPolarHBondContact O-CE 3.06Å; N515-K519 VanDerWaalsContact O-CG 3.24Å; N515-K519 WeakPolarHBondContact O-CG 3.32Å; N515-K519 PolarHBondContact O-NZ 3.27Å
516	S	90.2	Very high	85.8	Confident	17 Å²	17	43.6 Å²	43.6	12%	0.119	23%	0.227	C	C	.	.	H	α-helix	trans	-81.4	-49.4	175.8	-60.7	0	0	0	0	110.5	A512 E513 I514 V518 K519 I520	A512-S516 WeakPolarHBondContact O-CB 3.24Å; A512-S516 PolarHBondContact O-N 2.91Å; A512-S516 VanDerWaalsContact O-N 3.07Å; A512-S516 PolarHBondContact O-OG 3.16Å; E513-S516 WeakPolarHBondContact O-CA 3.41Å; E513-S516 WeakPolarHBondContact O-CB 3.45Å; E513-S516 PolarHBondContact O-N 3.32Å; I514-S516 PolarHBondContact O-N 3.08Å; S516-V518 VanDerWaalsContact C-N 3.33Å; S516-V518 PolarHBondContact O-N 3.26Å; S516-K519 PolarHBondContact O-N 3.45Å; S516-I520 WeakPolarHBondContact O-CD1 3.33Å; S516-I520 WeakPolarHBondContact O-CG1 3.25Å; S516-I520 PolarHBondContact O-N 2.84Å
517	L	91.7	Very high	85.9	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-53.5	-47	176.6	-68.3	174.8	0	0	0	112.5	L466 F491 L493 L497 E513 I514 K519 I520 L521 L560 F563	L466-L517 HydrophobicContact CD1-CD2 3.92Å; L466-L517 HydrophobicContact CD2-CD2 3.47Å; L466-L517 VanDerWaalsContact CD2-CD2 3.47Å; L466-L517 HydrophobicContact CG-CD2 4.37Å; F491-L517 HydrophobicContact CD1-CD2 3.8Å; F491-L517 HydrophobicContact CE1-CD2 4.08Å; F491-L517 HydrophobicContact CE1-CG 4.48Å; L493-L517 HydrophobicContact CD2-CD1 4.08Å; L493-L517 HydrophobicContact CD2-CD2 4.1Å; L493-L517 HydrophobicContact CD2-CG 4.41Å; L497-L517 HydrophobicContact CD1-CD1 4.1Å; E513-L517 WeakPolarHBondContact O-CG 3.34Å; E513-L517 PolarHBondContact O-N 3.31Å; I514-L517 PolarHBondContact O-N 2.83Å; L517-K519 VanDerWaalsContact C-N 3.31Å; L517-K519 PolarHBondContact O-N 3.4Å; L517-I520 PolarHBondContact O-N 2.99Å; L517-L521 WeakPolarHBondContact O-CB 3.5Å; L517-L521 WeakPolarHBondContact O-CG 3.31Å; L517-L521 PolarHBondContact O-N 3.22Å; L517-L560 HydrophobicContact CD1-CD2 4.33Å; L517-F563 HydrophobicContact CB-CE1 4.43Å; L517-F563 HydrophobicContact CD1-CE1 4.32Å
518	V	89.7	Confident	85.9	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-58.1	-42.6	177.6	171.2	0	0	0	0	111.6	I514 S516 G522 L523 Y525 F563 W568	I514-V518 HydrophobicContact CG2-CG2 4.37Å; I514-V518 WeakPolarHBondContact O-CG2 3.26Å; I514-V518 PolarHBondContact O-N 3.03Å; S516-V518 VanDerWaalsContact C-N 3.33Å; S516-V518 PolarHBondContact O-N 3.26Å; V518-G522 PolarHBondContact O-N 2.73Å; V518-L523 HydrophobicContact CG1-CB 4.1Å; V518-L523 VanDerWaalsContact CG1-O 3.31Å; V518-L523 WeakPolarHBondContact CG1-O 3.46Å; V518-L523 PolarHBondContact O-N 3.34Å; V518-Y525 HydrophobicContact CG1-CE2 4.19Å; V518-Y525 HydrophobicContact CG2-CE2 4.22Å; V518-F563 HydrophobicContact CG2-CZ 4.01Å; V518-W568 HydrophobicContact CG2-CH2 3.82Å
519	K	87.5	Confident	86	Confident	85 Å²	85	40 Å²	40	37%	0.37	21%	0.207	S	C	.	.	H	α-helix	trans	-70.7	-40.3	177.6	-68	166.7	-164	154.3	0	112.6	L442 N515 S516 L517 G522	L442-K519 WeakPolarHBondContact CD1-O 3.42Å; N515-K519 WeakPolarHBondContact O-CD 3.44Å; N515-K519 WeakPolarHBondContact O-CE 3.06Å; N515-K519 VanDerWaalsContact O-CG 3.24Å; N515-K519 WeakPolarHBondContact O-CG 3.32Å; N515-K519 PolarHBondContact O-NZ 3.27Å; S516-K519 PolarHBondContact O-N 3.45Å; L517-K519 VanDerWaalsContact C-N 3.31Å; L517-K519 PolarHBondContact O-N 3.4Å; K519-G522 PolarHBondContact O-N 3.05Å
520	I	91.6	Very high	86.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-48.4	179.5	-62.5	157.3	0	0	0	110.3	L442 V445 L448 L464 F491 S516 L517 R539 Y540	L442-I520 HydrophobicContact CD1-CG1 4.34Å; V445-I520 HydrophobicContact CG1-CD1 4.07Å; V445-I520 HydrophobicContact CG1-CG1 4.13Å; L448-I520 HydrophobicContact CD1-CD1 4.11Å; L448-I520 HydrophobicContact CD1-CG1 4.05Å; L448-I520 HydrophobicContact CD1-CG2 3.78Å; L448-I520 HydrophobicContact CD2-CG1 4.08Å; L464-I520 HydrophobicContact CD1-CG2 3.75Å; L464-I520 HydrophobicContact CD2-CB 4.33Å; L464-I520 HydrophobicContact CD2-CG2 3.51Å; L464-I520 HydrophobicContact CG-CG2 4.26Å; F491-I520 HydrophobicContact CB-CD1 3.97Å; F491-I520 HydrophobicContact CD1-CD1 3.76Å; F491-I520 HydrophobicContact CD2-CD1 3.53Å; F491-I520 HydrophobicContact CE1-CD1 4.11Å; F491-I520 HydrophobicContact CE2-CD1 3.9Å; F491-I520 HydrophobicContact CG-CD1 3.46Å; F491-I520 VanDerWaalsContact CG-CD1 3.46Å; F491-I520 HydrophobicContact CZ-CD1 4.17Å; S516-I520 WeakPolarHBondContact O-CD1 3.33Å; S516-I520 WeakPolarHBondContact O-CG1 3.25Å; S516-I520 PolarHBondContact O-N 2.84Å; L517-I520 PolarHBondContact O-N 2.99Å; I520-R539 WeakPolarHBondContact O-CB 3.41Å; I520-R539 WeakPolarHBondContact O-CG 3.35Å; I520-R539 PolarHBondContact O-NE 3.14Å; I520-Y540 HydrophobicContact CG2-CD2 4.31Å; I520-Y540 HydrophobicContact CG2-CE2 3.82Å
521	L	91.8	Very high	86.5	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-78.8	-17.9	-177.5	-64.1	174.9	0	0	0	113.7	L464 L517 L523 R539 Y540 V543 F576	L464-L521 HydrophobicContact CB-CD2 4.11Å; L464-L521 HydrophobicContact CD2-CD2 3.59Å; L464-L521 HydrophobicContact CD2-CG 4.1Å; L517-L521 WeakPolarHBondContact O-CB 3.5Å; L517-L521 WeakPolarHBondContact O-CG 3.31Å; L517-L521 PolarHBondContact O-N 3.22Å; L521-L523 HydrophobicContact CB-CD1 3.79Å; L521-L523 HydrophobicContact CB-CG 3.81Å; L521-L523 HydrophobicContact CD1-CD1 3.65Å; L521-L523 HydrophobicContact CG-CD1 4.36Å; L521-R539 WeakPolarHBondContact O-CB 3.49Å; L521-R539 PolarHBondContact O-N 3.22Å; L521-Y540 HydrophobicContact CD2-CD2 4.31Å; L521-Y540 HydrophobicContact CD2-CG 4.46Å; L521-V543 HydrophobicContact CD1-CG2 3.83Å; L521-V543 HydrophobicContact CD2-CG2 3.64Å; L521-V543 HydrophobicContact CG-CG2 4.41Å; L521-F576 HydrophobicContact CD2-CZ 4.39Å
522	G	87.7	Confident	86.3	Confident	17 Å²	17	44.1 Å²	44.1	18%	0.175	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	29.4	-175	0	0	0	0	0	112.6	V518 K519 Y529	V518-G522 PolarHBondContact O-N 2.73Å; K519-G522 PolarHBondContact O-N 3.05Å; G522-Y529 PolarHBondContact O-OH 2.81Å
523	L	89	Confident	86.1	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.021	23%	0.233	C	C	.	.			trans	-75.1	150	178.8	-70.3	165	0	0	0	110.9	V518 L521 Y529 L538 W568 L571	V518-L523 HydrophobicContact CG1-CB 4.1Å; V518-L523 VanDerWaalsContact CG1-O 3.31Å; V518-L523 WeakPolarHBondContact CG1-O 3.46Å; V518-L523 PolarHBondContact O-N 3.34Å; L521-L523 HydrophobicContact CB-CD1 3.79Å; L521-L523 HydrophobicContact CB-CG 3.81Å; L521-L523 HydrophobicContact CD1-CD1 3.65Å; L521-L523 HydrophobicContact CG-CD1 4.36Å; L523-Y529 WeakPolarHBondContact CA-OH 3.27Å; L523-Y529 HydrophobicContact CD2-CE2 4.09Å; L523-L538 HydrophobicContact CD2-CD2 3.7Å; L523-L538 HydrophobicContact CG-CD2 4.27Å; L523-W568 HydrophobicContact CB-CH2 3.98Å; L523-W568 HydrophobicContact CB-CZ2 3.84Å; L523-W568 HydrophobicContact CB-CZ3 4.38Å; L523-W568 HydrophobicContact CD1-CE3 3.93Å; L523-W568 HydrophobicContact CD1-CH2 4.17Å; L523-W568 HydrophobicContact CD1-CZ3 3.75Å; L523-W568 HydrophobicContact CD2-CD2 3.98Å; L523-W568 HydrophobicContact CD2-CE3 4.16Å; L523-W568 HydrophobicContact CD2-CG 4.36Å; L523-W568 HydrophobicContact CG-CE3 4.48Å; L523-W568 HydrophobicContact CG-CZ3 4.48Å; L523-L571 HydrophobicContact CD2-CD1 3.57Å
524	Q	82.3	Confident	85.9	Confident	34 Å²	34	46.9 Å²	46.9	16%	0.159	24%	0.235	C	C	.	.			trans	-134.1	118	-176.7	-66.4	171.8	-10.3	0	0	108.1	H435 R527 Y529 W568	H435-Q524 PolarHBondContact O-NE2 3.2Å; Q524-R527 HydrophobicContact CB-CB 3.96Å; Q524-R527 WeakPolarHBondContact O-CB 3.41Å; Q524-R527 PolarHBondContact O-N 2.82Å; Q524-R527 VanDerWaalsContact OE1-CD 3.23Å; Q524-Y529 PolarHBondContact N-OH 3.34Å; Q524-W568 PolarHBondContact O-NE1 2.88Å
525	Y	80.6	Confident	85.7	Confident	48 Å²	48	48.4 Å²	48.4	19%	0.188	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	151.9	175.3	-66.7	-78	0	0	0	110.8	M509 I514 V518 R527 N567 W568	M509-Y525 HydrophobicContact CE-CD2 4.4Å; M509-Y525 HydrophobicContact CE-CE1 4.49Å; M509-Y525 HydrophobicContact CE-CE2 3.67Å; I514-Y525 WeakPolarHBondContact CG2-OH 3.35Å; V518-Y525 HydrophobicContact CG1-CE2 4.19Å; V518-Y525 HydrophobicContact CG2-CE2 4.22Å; Y525-R527 PolarHBondContact O-N 2.84Å; Y525-N567 WeakPolarHBondContact CE1-OD1 3.05Å; Y525-W568 HydrophobicContact CD1-CH2 4.05Å; Y525-W568 AromaticContact CD1-CZ2 3.77Å; Y525-W568 HydrophobicContact CD1-CZ2 3.77Å; Y525-W568 AromaticContact CE1-CH2 3.76Å; Y525-W568 HydrophobicContact CE1-CH2 3.76Å; Y525-W568 AromaticContact CE1-CZ2 3.97Å; Y525-W568 HydrophobicContact CE1-CZ2 3.97Å; Y525-W568 HydrophobicContact CG-CZ2 4.16Å
526	K	76.1	Confident	85.6	Confident	161 Å²	161	53.7 Å²	53.7	70%	0.7	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	-12.5	-170.5	-52.1	-171.7	-178.3	-170.6	0	116.3	E297	E297-K526 IonicContact OE1-NZ 3.86Å; E297-K526 PolarHBondContact OE1-NZ 2.83Å; E297-K526 IonicContact OE2-NZ 3.24Å; E297-K526 PolarHBondContact OE2-NZ 3.41Å
527	R	80.5	Confident	85.4	Confident	78 Å²	78	54.2 Å²	54.2	29%	0.294	27%	0.266	S	S	.	.			trans	-78.3	129.3	176.6	-176	170.3	-174.3	165.1	1.8	111.6	Q524 Y525 Y529 D534 S537 W568	Q524-R527 HydrophobicContact CB-CB 3.96Å; Q524-R527 WeakPolarHBondContact O-CB 3.41Å; Q524-R527 PolarHBondContact O-N 2.82Å; Q524-R527 VanDerWaalsContact OE1-CD 3.23Å; Y525-R527 PolarHBondContact O-N 2.84Å; R527-Y529 HydrophobicContact CB-CE2 4Å; R527-Y529 HydrophobicContact CG-CD2 4.37Å; R527-Y529 HydrophobicContact CG-CE2 4.01Å; R527-Y529 WeakPolarHBondContact O-CD2 3.43Å; R527-D534 IonicContact CZ-OD1 3.97Å; R527-D534 VanDerWaalsContact CZ-OD1 3.29Å; R527-D534 IonicContact NE-OD1 2.66Å; R527-D534 PolarHBondContact NE-OD1 2.91Å; R527-D534 IonicContact NH2-OD1 3.21Å; R527-D534 PolarHBondContact NH2-OD1 3.24Å; R527-S537 PolarHBondContact NH1-OG 3.02Å; R527-W568 VanDerWaalsContact O-CD1 3.29Å
528	K	84.3	Confident	85.4	Confident	141 Å²	141	54.2 Å²	54.2	61%	0.613	27%	0.266	S	S	*	.			trans	-82.1	132.6	167.2	-71.2	169.2	147.8	-117.5	0	109.8	E530	K528-E530 HydrophobicContact CB-CG 4.19Å; K528-E530 WeakPolarHBondContact CD-OE1 3.43Å; K528-E530 IonicContact NZ-OE1 2.91Å; K528-E530 PolarHBondContact NZ-OE1 3.01Å; K528-E530 IonicContact NZ-OE2 3.41Å
529	Y	86.7	Confident	85.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.265	C	S	.	.			trans	-108.9	75.8	177.2	-70.6	-93.1	0	0	0	108.8	G522 L523 Q524 R527 D534 L538 W568 S570 L571 H574	G522-Y529 PolarHBondContact O-OH 2.81Å; L523-Y529 WeakPolarHBondContact CA-OH 3.27Å; L523-Y529 HydrophobicContact CD2-CE2 4.09Å; Q524-Y529 PolarHBondContact N-OH 3.34Å; R527-Y529 HydrophobicContact CB-CE2 4Å; R527-Y529 HydrophobicContact CG-CD2 4.37Å; R527-Y529 HydrophobicContact CG-CE2 4.01Å; R527-Y529 WeakPolarHBondContact O-CD2 3.43Å; Y529-D534 HydrophobicContact CD1-CB 3.99Å; Y529-L538 HydrophobicContact CD1-CD1 4.25Å; Y529-L538 HydrophobicContact CD1-CD2 3.94Å; Y529-L538 HydrophobicContact CD1-CG 3.99Å; Y529-L538 HydrophobicContact CE1-CD1 4.47Å; Y529-L538 HydrophobicContact CE1-CD2 3.36Å; Y529-L538 HydrophobicContact CE1-CG 3.77Å; Y529-W568 AromaticContact CD2-CD1 3.67Å; Y529-W568 HydrophobicContact CD2-CG 4.29Å; Y529-W568 AromaticContact CE2-CD1 3.63Å; Y529-W568 HydrophobicContact CE2-CG 4.4Å; Y529-W568 AromaticContact CE2-NE1 3.79Å; Y529-S570 PolarHBondContact N-OG 2.82Å; Y529-S570 VanDerWaalsContact O-CB 3.26Å; Y529-S570 WeakPolarHBondContact O-CB 3.45Å; Y529-S570 PolarHBondContact O-OG 2.89Å; Y529-L571 VanDerWaalsContact CB-CD2 3.47Å; Y529-L571 HydrophobicContact CD1-CD2 4.5Å; Y529-L571 HydrophobicContact CG-CD2 3.96Å; Y529-L571 HydrophobicContact CG-CG 4.44Å; Y529-H574 PolarHBondContact O-CD2 2.86Å; Y529-H574 PolarHBondContact O-NE2 3.07Å
530	E	83.7	Confident	85.8	Confident	104 Å²	104	50.2 Å²	50.2	49%	0.486	25%	0.247	S	C	.	.			trans	-111.4	-26.7	-172.8	-68.2	171.3	-170	0	0	112.2	K528	K528-E530 HydrophobicContact CB-CG 4.19Å; K528-E530 WeakPolarHBondContact CD-OE1 3.43Å; K528-E530 IonicContact NZ-OE1 2.91Å; K528-E530 PolarHBondContact NZ-OE1 3.01Å; K528-E530 IonicContact NZ-OE2 3.41Å
531	T	84.9	Confident	85.8	Confident	72 Å²	72	51.1 Å²	51.1	44%	0.442	26%	0.257	S	S	.	.	S	Bend	trans	-98.1	158.7	-180	77.2	0	0	0	0	113	D533 D534 L535	T531-D533 PolarHBondContact O-N 3.28Å; T531-D533 PolarHBondContact OG1-N 3.22Å; T531-D534 WeakPolarHBondContact CB-OD2 3.39Å; T531-D534 WeakPolarHBondContact CG2-OD2 3.39Å; T531-D534 PolarHBondContact N-OD2 3.47Å; T531-D534 PolarHBondContact O-N 3.08Å; T531-D534 VanDerWaalsContact O-N 3.16Å; T531-D534 VanDerWaalsContact OG1-CG 3.31Å; T531-D534 PolarHBondContact OG1-N 3.04Å; T531-D534 VanDerWaalsContact OG1-N 3.07Å; T531-D534 PolarHBondContact OG1-OD2 2.73Å; T531-L535 WeakPolarHBondContact O-CG 3.47Å; T531-L535 PolarHBondContact O-N 3.01Å
532	A	82.5	Confident	85.9	Confident	61 Å²	61	54 Å²	54	50%	0.504	27%	0.27	S	S	.	.	H	α-helix	trans	-59.5	-29.2	174	0	0	0	0	0	113.1	R536	A532-R536 VanDerWaalsContact O-CG 3.3Å; A532-R536 WeakPolarHBondContact O-CG 3.35Å; A532-R536 PolarHBondContact O-N 3.22Å; A532-R536 VanDerWaalsContact O-N 3.11Å
533	D	82.5	Confident	86.3	Confident	104 Å²	104	53.3 Å²	53.3	56%	0.556	26%	0.262	S	S	*	.	H	α-helix	trans	-82.7	-26.9	177.3	-70.6	-48.7	0	0	0	113	T531 R536 S537	T531-D533 PolarHBondContact O-N 3.28Å; T531-D533 PolarHBondContact OG1-N 3.22Å; D533-R536 PolarHBondContact O-N 3.44Å; D533-R536 WeakPolarHBondContact OD1-CD 3.16Å; D533-R536 IonicContact OD1-CZ 2.77Å; D533-R536 IonicContact OD1-NE 3.55Å; D533-R536 IonicContact OD1-NH1 3.73Å; D533-R536 PolarHBondContact OD1-NH1 3.42Å; D533-S537 PolarHBondContact O-N 3.13Å
534	D	83.8	Confident	86.6	Confident	29 Å²	29	53.1 Å²	53.1	16%	0.155	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-46.6	165	-66	-61.2	0	0	0	111	R527 Y529 T531 R536 S537	R527-D534 IonicContact CZ-OD1 3.97Å; R527-D534 VanDerWaalsContact CZ-OD1 3.29Å; R527-D534 IonicContact NE-OD1 2.66Å; R527-D534 PolarHBondContact NE-OD1 2.91Å; R527-D534 IonicContact NH2-OD1 3.21Å; R527-D534 PolarHBondContact NH2-OD1 3.24Å; Y529-D534 HydrophobicContact CD1-CB 3.99Å; T531-D534 WeakPolarHBondContact CB-OD2 3.39Å; T531-D534 WeakPolarHBondContact CG2-OD2 3.39Å; T531-D534 PolarHBondContact N-OD2 3.47Å; T531-D534 PolarHBondContact O-N 3.08Å; T531-D534 VanDerWaalsContact O-N 3.16Å; T531-D534 VanDerWaalsContact OG1-CG 3.31Å; T531-D534 PolarHBondContact OG1-N 3.04Å; T531-D534 VanDerWaalsContact OG1-N 3.07Å; T531-D534 PolarHBondContact OG1-OD2 2.73Å; D534-R536 PolarHBondContact O-N 3.4Å; D534-S537 WeakPolarHBondContact O-CB 3.3Å; D534-S537 PolarHBondContact O-N 2.79Å; D534-S537 PolarHBondContact O-OG 3.4Å
535	L	84.9	Confident	87.2	Confident	32 Å²	32	51.6 Å²	51.6	17%	0.168	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-25.2	175.9	-63.8	173.9	0	0	0	112.5	T531 S537 L538 L571 H574	T531-L535 WeakPolarHBondContact O-CG 3.47Å; T531-L535 PolarHBondContact O-N 3.01Å; L535-S537 VanDerWaalsContact C-N 3.35Å; L535-L538 HydrophobicContact CD2-CD1 4.09Å; L535-L571 HydrophobicContact CD2-CD2 3.66Å; L535-H574 HydrophobicContact CD1-CB 4.37Å
536	R	85.6	Confident	87.7	Confident	130 Å²	130	49.3 Å²	49.3	49%	0.491	25%	0.245	S	C	.	.	H	α-helix	trans	-74.4	-20.2	170.3	-76.8	163.8	174	172.4	-0.8	114	K438 Q460 A532 D533 D534 L538	K438-R536 PolarHBondContact NZ-O 2.9Å; Q460-R536 HydrophobicContact CG-CG 4.02Å; A532-R536 VanDerWaalsContact O-CG 3.3Å; A532-R536 WeakPolarHBondContact O-CG 3.35Å; A532-R536 PolarHBondContact O-N 3.22Å; A532-R536 VanDerWaalsContact O-N 3.11Å; D533-R536 PolarHBondContact O-N 3.44Å; D533-R536 WeakPolarHBondContact OD1-CD 3.16Å; D533-R536 IonicContact OD1-CZ 2.77Å; D533-R536 IonicContact OD1-NE 3.55Å; D533-R536 IonicContact OD1-NH1 3.73Å; D533-R536 PolarHBondContact OD1-NH1 3.42Å; D534-R536 PolarHBondContact O-N 3.4Å; R536-L538 VanDerWaalsContact C-N 3.3Å
537	S	85.9	Confident	88.4	Confident	28 Å²	28	41.7 Å²	41.7	20%	0.196	21%	0.212	C	C	.	.	H	α-helix	trans	-71.9	-27.7	175.6	76	0	0	0	0	112.3	K438 R527 D533 D534 L535	K438-S537 WeakPolarHBondContact CE-O 3.35Å; R527-S537 PolarHBondContact NH1-OG 3.02Å; D533-S537 PolarHBondContact O-N 3.13Å; D534-S537 WeakPolarHBondContact O-CB 3.3Å; D534-S537 PolarHBondContact O-N 2.79Å; D534-S537 PolarHBondContact O-OG 3.4Å; L535-S537 VanDerWaalsContact C-N 3.35Å
538	L	90.9	Very high	88.5	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.206	C	C	.	.	S	Bend	trans	-61.4	147.8	176	-61.8	175.2	0	0	0	112.5	K438 S459 L523 Y529 L535 R536 Y540 L571 F576	K438-L538 WeakPolarHBondContact CE-O 3.28Å; K438-L538 PolarHBondContact NZ-O 3.37Å; S459-L538 VanDerWaalsContact CB-O 3.29Å; S459-L538 WeakPolarHBondContact CB-O 3.47Å; L523-L538 HydrophobicContact CD2-CD2 3.7Å; L523-L538 HydrophobicContact CG-CD2 4.27Å; Y529-L538 HydrophobicContact CD1-CD1 4.25Å; Y529-L538 HydrophobicContact CD1-CD2 3.94Å; Y529-L538 HydrophobicContact CD1-CG 3.99Å; Y529-L538 HydrophobicContact CE1-CD1 4.47Å; Y529-L538 HydrophobicContact CE1-CD2 3.36Å; Y529-L538 HydrophobicContact CE1-CG 3.77Å; L535-L538 HydrophobicContact CD2-CD1 4.09Å; R536-L538 VanDerWaalsContact C-N 3.3Å; L538-Y540 WeakPolarHBondContact CB-O 3.41Å; L538-L571 HydrophobicContact CD1-CD2 4Å; L538-F576 HydrophobicContact CD1-CD2 4.48Å; L538-F576 HydrophobicContact CD1-CE2 3.83Å; L538-F576 HydrophobicContact CD1-CZ 4.38Å
539	R	92.8	Very high	88.4	Confident	6 Å²	6	34 Å²	34	2%	0.023	18%	0.182	C	C	.	.	S	Bend	trans	-75.6	-30.1	178.5	-70.4	-102.3	-59.7	155.2	15.4	113.2	H439 S440 D450 G455 S459 I520 L521	H439-R539 WeakPolarHBondContact O-CD 3.47Å; H439-R539 PolarHBondContact O-NH1 2.86Å; S440-R539 PolarHBondContact O-NH1 2.64Å; D450-R539 IonicContact OD1-CZ 2.76Å; D450-R539 IonicContact OD1-NH2 2.66Å; D450-R539 PolarHBondContact OD1-NH2 2.96Å; D450-R539 IonicContact OD2-CZ 3.97Å; D450-R539 IonicContact OD2-NH1 3.61Å; D450-R539 IonicContact OD2-NH2 3.11Å; D450-R539 PolarHBondContact OD2-NH2 3.43Å; G455-R539 PolarHBondContact N-O 2.97Å; G455-R539 VanDerWaalsContact N-O 3.14Å; S459-R539 VanDerWaalsContact CB-O 3.22Å; S459-R539 WeakPolarHBondContact CB-O 3.19Å; S459-R539 PolarHBondContact OG-O 3.27Å; I520-R539 WeakPolarHBondContact O-CB 3.41Å; I520-R539 WeakPolarHBondContact O-CG 3.35Å; I520-R539 PolarHBondContact O-NE 3.14Å; L521-R539 WeakPolarHBondContact O-CB 3.49Å; L521-R539 PolarHBondContact O-N 3.22Å
540	Y	93.2	Very high	88	Confident	1 Å²	1	36.3 Å²	36.3	0%	0.004	20%	0.195	C	C	.	.			trans	-132.1	141.2	178.2	-70.2	-94.2	0	0	0	108.3	D450 A451 A454 S459 C462 T463 L464 I520 L521 L538	D450-Y540 PolarHBondContact OD1-OH 2.93Å; A451-Y540 HydrophobicContact CB-CE1 3.82Å; A451-Y540 PolarHBondContact N-OH 3.28Å; A454-Y540 HydrophobicContact CB-CE1 4.23Å; A454-Y540 HydrophobicContact CB-CE2 3.82Å; S459-Y540 CarbonylContact O-C 3.59Å; C462-Y540 HydrophobicContact CB-CD1 3.68Å; C462-Y540 HydrophobicContact CB-CE1 4.18Å; C462-Y540 HydrophobicContact CB-CG 4.41Å; T463-Y540 VanDerWaalsContact C-CD1 3.47Å; L464-Y540 HydrophobicContact CB-CD1 3.76Å; L464-Y540 HydrophobicContact CB-CD2 4.21Å; L464-Y540 HydrophobicContact CB-CE1 4.04Å; L464-Y540 HydrophobicContact CB-CE2 4.5Å; L464-Y540 HydrophobicContact CB-CG 3.86Å; L464-Y540 HydrophobicContact CD1-CE1 4.31Å; L464-Y540 HydrophobicContact CD1-CE2 4.29Å; I520-Y540 HydrophobicContact CG2-CD2 4.31Å; I520-Y540 HydrophobicContact CG2-CE2 3.82Å; L521-Y540 HydrophobicContact CD2-CD2 4.31Å; L521-Y540 HydrophobicContact CD2-CG 4.46Å; L538-Y540 WeakPolarHBondContact CB-O 3.41Å
541	G	91.2	Very high	87.9	Confident	20 Å²	20	33.1 Å²	33.1	21%	0.206	18%	0.18	C	C	.	.	S	Bend	trans	-85.6	-15	178.3	0	0	0	0	0	113.6	S459 C462 F576	S459-G541 PolarHBondContact O-N 2.9Å; C462-G541 PolarHBondContact O-N 2.96Å; G541-F576 VanDerWaalsContact O-CD2 3.28Å; G541-F576 WeakPolarHBondContact O-CD2 3.36Å
542	K	94.4	Very high	87.9	Confident	63 Å²	63	30.2 Å²	30.2	27%	0.274	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	154.3	179.6	-66.2	-171.5	172.2	-174.2	0	112.2	C462 T463 L464 F576 E578	C462-K542 PolarHBondContact O-N 3.18Å; T463-K542 WeakPolarHBondContact CA-O 3.42Å; T463-K542 HydrophobicContact CG2-CB 4.11Å; L464-K542 PolarHBondContact N-O 3.47Å; K542-F576 WeakPolarHBondContact CA-O 3.36Å; K542-E578 HydrophobicContact CD-CG 4.23Å; K542-E578 WeakPolarHBondContact CD-OE2 3.43Å; K542-E578 VanDerWaalsContact NZ-CD 3.29Å; K542-E578 IonicContact NZ-OE1 3.29Å; K542-E578 PolarHBondContact NZ-OE1 3.4Å; K542-E578 IonicContact NZ-OE2 2.7Å
543	V	95.5	Very high	88.1	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.4	163.9	172.3	0	0	0	0	108.1	L464 L466 L521 I545 F576 V577 E578	L464-V543 CarbonylContact O-C 3.58Å; L464-V543 WeakPolarHBondContact O-CA 3.39Å; L466-V543 HydrophobicContact CD1-CG1 3.63Å; L466-V543 HydrophobicContact CG-CG1 3.94Å; L521-V543 HydrophobicContact CD1-CG2 3.83Å; L521-V543 HydrophobicContact CD2-CG2 3.64Å; L521-V543 HydrophobicContact CG-CG2 4.41Å; V543-I545 HydrophobicContact CG1-CG1 4.42Å; V543-F576 HydrophobicContact CB-CE1 4.31Å; V543-F576 HydrophobicContact CG2-CD1 4.34Å; V543-F576 HydrophobicContact CG2-CE1 3.55Å; V543-F576 HydrophobicContact CG2-CZ 3.83Å; V543-F576 PolarHBondContact N-O 3.05Å; V543-V577 WeakPolarHBondContact O-CA 3.47Å; V543-E578 PolarHBondContact O-N 2.76Å
544	M	95.6	Very high	88.5	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117	173.4	170.4	170.6	-87.8	0	0	108.3	T463 L464 I465 L466 E578 F580 M638 R642	T463-M544 HydrophobicContact CG2-CB 3.55Å; L464-M544 PolarHBondContact O-N 3.06Å; I465-M544 CarbonylContact C-O 3.52Å; I465-M544 WeakPolarHBondContact CA-O 3.4Å; I465-M544 HydrophobicContact CD1-SD 4.34Å; I465-M544 HydrophobicContact CG1-CB 4.4Å; I465-M544 HydrophobicContact CG1-CG 4.48Å; I465-M544 HydrophobicContact CG1-SD 4.21Å; I465-M544 HydrophobicContact CG2-CG 4.46Å; L466-M544 PolarHBondContact N-O 2.7Å; M544-E578 CarbonylContact C-O 3.56Å; M544-E578 VanDerWaalsContact CA-O 3.3Å; M544-E578 WeakPolarHBondContact CA-O 3.45Å; M544-E578 HydrophobicContact CE-CB 4.5Å; M544-F580 HydrophobicContact CE-CD2 4.44Å; M544-F580 HydrophobicContact CG-CB 4.02Å; M544-F580 HydrophobicContact SD-CB 4.07Å; M544-F580 HydrophobicContact SD-CD2 4.01Å; M544-M638 HydrophobicContact CE-SD 4.1Å; M544-R642 HydrophobicContact CE-CB 4.34Å; M544-R642 HydrophobicContact CE-CG 3.75Å
545	I	95.1	Very high	88.8	Confident	2 Å²	2	23 Å²	23	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127.1	177.6	-49.4	179.5	0	0	0	108.4	V543 A547 K557 L560 I561 V577 E578 E579 F580	V543-I545 HydrophobicContact CG1-CG1 4.42Å; I545-A547 HydrophobicContact CG2-CB 4.39Å; I545-K557 HydrophobicContact CD1-CB 4.49Å; I545-K557 HydrophobicContact CG2-CG 3.92Å; I545-L560 HydrophobicContact CB-CD1 4.48Å; I545-L560 HydrophobicContact CD1-CB 3.83Å; I545-L560 HydrophobicContact CD1-CD1 3.87Å; I545-L560 HydrophobicContact CG1-CD1 4Å; I545-L560 HydrophobicContact CG2-CD1 3.74Å; I545-I561 HydrophobicContact CD1-CG1 4.39Å; I545-V577 HydrophobicContact CD1-CG1 3.8Å; I545-V577 HydrophobicContact CG1-CG1 4.11Å; I545-E578 PolarHBondContact N-O 2.7Å; I545-E579 CarbonylContact O-C 3.56Å; I545-E579 WeakPolarHBondContact O-CA 3.48Å; I545-F580 PolarHBondContact O-N 2.96Å
546	M	92.5	Very high	89.1	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	72.4	-178.1	-174.9	174.1	-179.9	0	0	108.2	I465 L466 T467 E468 L475 A476 F580 L623 F635	I465-M546 HydrophobicContact CG2-CB 3.59Å; I465-M546 HydrophobicContact CG2-CG 4.32Å; I465-M546 HydrophobicContact CG2-SD 3.81Å; L466-M546 PolarHBondContact O-N 2.83Å; T467-M546 WeakPolarHBondContact CA-O 3.46Å; T467-M546 HydrophobicContact CG2-CB 4.07Å; T467-M546 HydrophobicContact CG2-CG 4.25Å; T467-M546 HydrophobicContact CG2-SD 4.14Å; E468-M546 PolarHBondContact N-O 3.22Å; L475-M546 HydrophobicContact CB-CE 4.22Å; L475-M546 HydrophobicContact CD2-CE 3.7Å; L475-M546 HydrophobicContact CG-CE 4.15Å; A476-M546 HydrophobicContact CB-SD 3.9Å; M546-F580 HydrophobicContact CB-CB 4.07Å; M546-F580 HydrophobicContact CE-CD1 3.85Å; M546-F580 HydrophobicContact CE-CE1 3.9Å; M546-F580 HydrophobicContact CG-CB 4.06Å; M546-F580 HydrophobicContact CG-CD1 4.05Å; M546-F580 HydrophobicContact CG-CG 4.29Å; M546-F580 HydrophobicContact SD-CD1 4.1Å; M546-F580 HydrophobicContact SD-CG 4.27Å; M546-L623 HydrophobicContact CE-CD1 4.3Å; M546-L623 HydrophobicContact CE-CD2 4.49Å; M546-L623 HydrophobicContact CG-CD1 3.83Å; M546-F635 HydrophobicContact CE-CE2 4.06Å; M546-F635 HydrophobicContact CE-CZ 4.43Å; M546-F635 HydrophobicContact SD-CE2 4.43Å; M546-F635 HydrophobicContact SD-CZ 4.24Å
547	A	89.2	Confident	89.5	Confident	2 Å²	2	15.6 Å²	15.6	2%	0.017	8%	0.084	C	C	.	.			trans	-95.8	164.7	175.7	0	0	0	0	0	110.2	E468 I545 Q549 L623	E468-A547 HydrophobicContact CB-CB 4.41Å; E468-A547 WeakPolarHBondContact OE2-CB 3.42Å; I545-A547 HydrophobicContact CG2-CB 4.39Å; A547-Q549 PolarHBondContact O-NE2 3.21Å; A547-L623 WeakPolarHBondContact O-CD1 3.5Å
548	D	84.4	Confident	89.9	Confident	30 Å²	30	14.3 Å²	14.3	16%	0.16	8%	0.075	C	C	.	.			trans	-62.9	152.6	175.8	-75.5	-0.6	0	0	0	110.1	E468 D550 G622 L623	E468-D548 PolarHBondContact OE2-N 3.45Å; D548-D550 PolarHBondContact O-N 2.74Å; D548-D550 VanDerWaalsContact O-N 3.11Å; D548-G622 VanDerWaalsContact CG-CA 3.45Å; D548-G622 WeakPolarHBondContact OD2-CA 3.44Å; D548-L623 VanDerWaalsContact CG-N 3.29Å; D548-L623 WeakPolarHBondContact OD1-CB 3.39Å; D548-L623 WeakPolarHBondContact OD1-CD1 3.48Å; D548-L623 WeakPolarHBondContact OD1-CG 3.42Å; D548-L623 PolarHBondContact OD1-N 3.02Å; D548-L623 PolarHBondContact OD2-N 2.68Å
549	Q	81	Confident	90	Very high	26 Å²	26	14.6 Å²	14.6	12%	0.121	8%	0.077	C	C	.	.	S	Bend	trans	-90.1	40.7	-174.1	-63.6	-65.3	-72.9	0	0	111.4	A547 T582 I584	A547-Q549 PolarHBondContact O-NE2 3.21Å; Q549-T582 VanDerWaalsContact CG-OG1 3.3Å; Q549-T582 WeakPolarHBondContact CG-OG1 3.48Å; Q549-I584 HydrophobicContact CB-CG1 4.35Å
550	D	79.3	Confident	90.1	Very high	49 Å²	49	14.5 Å²	14.5	26%	0.262	8%	0.077	S	C	.	.	S	Bend	trans	-110	-175.8	169.8	77.8	13	0	0	0	110.5	D548 D552 G553 S554	D548-D550 PolarHBondContact O-N 2.74Å; D548-D550 VanDerWaalsContact O-N 3.11Å; D550-D552 WeakPolarHBondContact OD1-CA 3.28Å; D550-D552 PolarHBondContact OD1-N 2.81Å; D550-G553 PolarHBondContact OD1-N 3.22Å; D550-S554 PolarHBondContact O-N 2.91Å; D550-S554 PolarHBondContact O-OG 3.23Å
551	Q	81.4	Confident	90.2	Very high	38 Å²	38	14.5 Å²	14.5	18%	0.178	8%	0.076	C	C	.	.	H	α-helix	trans	-73.5	-27.7	-177.1	-57.6	-56.4	-26	0	0	113.5	S554 H555 F713 M716	Q551-S554 VanDerWaalsContact O-CB 3.27Å; Q551-S554 WeakPolarHBondContact O-CB 3.39Å; Q551-S554 PolarHBondContact O-N 3.36Å; Q551-H555 PolarHBondContact O-N 2.7Å; Q551-F713 HydrophobicContact CB-CB 4.03Å; Q551-F713 HydrophobicContact CB-CD2 4.11Å; Q551-F713 WeakPolarHBondContact O-CB 3.46Å; Q551-F713 WeakPolarHBondContact O-CD2 3.37Å; Q551-F713 WeakPolarHBondContact O-CG 3.2Å; Q551-M716 HydrophobicContact CB-CE 3.47Å; Q551-M716 VanDerWaalsContact CB-CE 3.47Å; Q551-M716 HydrophobicContact CB-SD 3.65Å; Q551-M716 HydrophobicContact CG-CE 4.07Å; Q551-M716 HydrophobicContact CG-SD 4.06Å
552	D	83.6	Confident	90.3	Very high	10 Å²	10	13.6 Å²	13.6	5%	0.053	7%	0.067	C	C	.	.	H	α-helix	trans	-78.3	-32.4	-179.9	-89.3	-79.6	0	0	0	111.3	K496 D550 H555 I556 F713 M716 R720 I1573	K496-D552 WeakPolarHBondContact CE-OD1 3.46Å; K496-D552 IonicContact NZ-OD1 3.3Å; K496-D552 PolarHBondContact NZ-OD1 2.7Å; D550-D552 WeakPolarHBondContact OD1-CA 3.28Å; D550-D552 PolarHBondContact OD1-N 2.81Å; D552-H555 WeakPolarHBondContact O-CB 3.25Å; D552-H555 PolarHBondContact O-N 3.01Å; D552-I556 PolarHBondContact O-N 2.67Å; D552-F713 WeakPolarHBondContact OD1-CE2 3.32Å; D552-M716 WeakPolarHBondContact OD2-CE 3.34Å; D552-R720 IonicContact OD2-NH1 3.25Å; D552-R720 PolarHBondContact OD2-NH1 2.62Å; D552-R720 VanDerWaalsContact OD2-NH1 3.15Å; D552-I1573 VanDerWaalsContact OD1-CG2 3.29Å; D552-I1573 WeakPolarHBondContact OD1-CG2 3.02Å; D552-I1573 VanDerWaalsContact OD2-CG2 3.3Å; D552-I1573 WeakPolarHBondContact OD2-CG2 3.12Å
553	G	87.5	Confident	90.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-57.2	-45.5	161.5	0	0	0	0	0	112.1	D550 H555 I556 K557	D550-G553 PolarHBondContact OD1-N 3.22Å; G553-H555 VanDerWaalsContact C-N 3.3Å; G553-H555 PolarHBondContact O-N 2.67Å; G553-I556 PolarHBondContact O-N 3.09Å; G553-I556 VanDerWaalsContact O-N 3.07Å; G553-K557 WeakPolarHBondContact O-CG 3.4Å; G553-K557 PolarHBondContact O-N 3.16Å
554	S	89.9	Confident	90.2	Very high	6 Å²	6	10.9 Å²	10.9	4%	0.042	6%	0.055	C	C	.	.	H	α-helix	trans	-56.6	-40.1	173.3	-48.5	0	0	0	0	112.8	D550 Q551 K557 G558 F705 E709	D550-S554 PolarHBondContact O-N 2.91Å; D550-S554 PolarHBondContact O-OG 3.23Å; Q551-S554 VanDerWaalsContact O-CB 3.27Å; Q551-S554 WeakPolarHBondContact O-CB 3.39Å; Q551-S554 PolarHBondContact O-N 3.36Å; S554-K557 WeakPolarHBondContact O-CB 3.19Å; S554-K557 PolarHBondContact O-N 3.19Å; S554-G558 PolarHBondContact O-N 2.92Å; S554-F705 WeakPolarHBondContact O-CZ 3.05Å; S554-E709 WeakPolarHBondContact CB-OE1 3.43Å; S554-E709 PolarHBondContact OG-OE1 3.42Å; S554-E709 VanDerWaalsContact OG-OE1 3.08Å
555	H	91.1	Very high	90.1	Very high	38 Å²	38	11.5 Å²	11.5	18%	0.176	6%	0.058	C	C	.	.	H	α-helix	trans	-65.2	-40.2	174.3	-176	-154.5	0	0	0	112.5	Q551 D552 G553 G558 L559 F713	Q551-H555 PolarHBondContact O-N 2.7Å; D552-H555 WeakPolarHBondContact O-CB 3.25Å; D552-H555 PolarHBondContact O-N 3.01Å; G553-H555 VanDerWaalsContact C-N 3.3Å; G553-H555 PolarHBondContact O-N 2.67Å; H555-G558 PolarHBondContact O-N 2.81Å; H555-L559 WeakPolarHBondContact NE2-CD1 3.26Å; H555-L559 WeakPolarHBondContact O-CB 3.45Å; H555-L559 VanDerWaalsContact O-CG 3.31Å; H555-L559 WeakPolarHBondContact O-CG 3.49Å; H555-L559 PolarHBondContact O-N 3.46Å; H555-F713 HydrophobicContact CB-CD1 3.81Å; H555-F713 HydrophobicContact CB-CD2 3.75Å; H555-F713 HydrophobicContact CB-CE1 3.69Å; H555-F713 HydrophobicContact CB-CE2 3.57Å; H555-F713 HydrophobicContact CB-CG 3.85Å; H555-F713 HydrophobicContact CB-CZ 3.57Å; H555-F713 AromaticContact CD2-CE1 3.64Å; H555-F713 AromaticContact CE1-CE1 3.91Å; H555-F713 AromaticContact CE1-CZ 3.68Å; H555-F713 AromaticContact CG-CD1 3.99Å; H555-F713 AromaticContact CG-CE1 3.4Å; H555-F713 VanDerWaalsContact CG-CE1 3.4Å; H555-F713 AromaticContact CG-CE2 3.87Å; H555-F713 AromaticContact CG-CZ 3.34Å; H555-F713 AromaticContact ND1-CE1 3.6Å; H555-F713 AromaticContact ND1-CE2 3.79Å; H555-F713 AromaticContact ND1-CZ 3.13Å; H555-F713 WeakPolarHBondContact ND1-CZ 3.39Å; H555-F713 AromaticContact NE2-CE1 3.98Å
556	I	91.9	Very high	89.9	Confident	4 Å²	4	15.2 Å²	15.2	2%	0.021	8%	0.075	C	C	.	.	H	α-helix	trans	-64.9	-42	175.9	-71.2	165.1	0	0	0	111.3	E468 L493 K496 D552 G553 G558 L559 L560	E468-I556 VanDerWaalsContact CD-CD1 3.45Å; E468-I556 HydrophobicContact CG-CD1 4.13Å; E468-I556 WeakPolarHBondContact OE1-CD1 3.41Å; L493-I556 HydrophobicContact CD1-CG2 4.07Å; K496-I556 HydrophobicContact CG-CD1 4.47Å; K496-I556 HydrophobicContact CG-CG1 4.14Å; D552-I556 PolarHBondContact O-N 2.67Å; G553-I556 PolarHBondContact O-N 3.09Å; G553-I556 VanDerWaalsContact O-N 3.07Å; I556-G558 VanDerWaalsContact C-N 3.33Å; I556-G558 PolarHBondContact O-N 2.98Å; I556-L559 PolarHBondContact O-N 2.81Å; I556-L560 HydrophobicContact CG2-CD1 4.02Å; I556-L560 WeakPolarHBondContact O-CB 3.21Å; I556-L560 WeakPolarHBondContact O-CG 3.4Å; I556-L560 PolarHBondContact O-N 3.24Å
557	K	93.5	Very high	89.8	Confident	2 Å²	2	16.9 Å²	16.9	1%	0.009	8%	0.084	C	C	.	.	H	α-helix	trans	-53.6	-51.5	170.8	-62.9	170.1	-150.3	-178.2	0	110.2	I545 G553 S554 L559 L560 I561 E579 Y693 F705 E709	I545-K557 HydrophobicContact CD1-CB 4.49Å; I545-K557 HydrophobicContact CG2-CG 3.92Å; G553-K557 WeakPolarHBondContact O-CG 3.4Å; G553-K557 PolarHBondContact O-N 3.16Å; S554-K557 WeakPolarHBondContact O-CB 3.19Å; S554-K557 PolarHBondContact O-N 3.19Å; K557-L559 PolarHBondContact O-N 3.02Å; K557-L560 PolarHBondContact O-N 2.71Å; K557-I561 WeakPolarHBondContact O-CD1 3.24Å; K557-I561 VanDerWaalsContact O-CG1 3.26Å; K557-I561 WeakPolarHBondContact O-CG1 3.11Å; K557-I561 PolarHBondContact O-N 3.01Å; K557-E579 HydrophobicContact CD-CG 4.41Å; K557-E579 WeakPolarHBondContact CD-OE1 3.16Å; K557-E579 WeakPolarHBondContact CE-OE1 3.2Å; K557-E579 IonicContact NZ-OE1 2.85Å; K557-E579 PolarHBondContact NZ-OE1 2.89Å; K557-Y693 PolarHBondContact NZ-OH 3.26Å; K557-F705 HydrophobicContact CB-CE2 3.86Å; K557-F705 HydrophobicContact CB-CZ 3.81Å; K557-F705 HydrophobicContact CD-CE2 4.08Å; K557-E709 WeakPolarHBondContact CD-OE1 3.42Å; K557-E709 WeakPolarHBondContact CE-OE1 3.41Å; K557-E709 IonicContact NZ-OE1 3.27Å; K557-E709 PolarHBondContact NZ-OE1 2.66Å
558	G	93.7	Very high	89.9	Confident	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.1	-42.4	-179.3	0	0	0	0	0	114	S554 H555 I556 I561 N562 F660	S554-G558 PolarHBondContact O-N 2.92Å; H555-G558 PolarHBondContact O-N 2.81Å; I556-G558 VanDerWaalsContact C-N 3.33Å; I556-G558 PolarHBondContact O-N 2.98Å; G558-I561 PolarHBondContact O-N 3.25Å; G558-N562 WeakPolarHBondContact O-CB 3.28Å; G558-N562 PolarHBondContact O-N 3.21Å; G558-F660 WeakPolarHBondContact O-CE2 3.27Å; G558-F660 WeakPolarHBondContact O-CZ 3.33Å
559	L	94.2	Very high	90.2	Very high	8 Å²	8	18.2 Å²	18.2	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-65	-38.9	177.3	-73.2	163.4	0	0	0	112.3	K496 L497 N499 H555 I556 K557 F563 F660	K496-L559 HydrophobicContact CB-CD1 4.29Å; L497-L559 HydrophobicContact CB-CB 4.19Å; L497-L559 WeakPolarHBondContact O-CD1 3.43Å; N499-L559 HydrophobicContact CB-CD2 4.06Å; H555-L559 WeakPolarHBondContact NE2-CD1 3.26Å; H555-L559 WeakPolarHBondContact O-CB 3.45Å; H555-L559 VanDerWaalsContact O-CG 3.31Å; H555-L559 WeakPolarHBondContact O-CG 3.49Å; H555-L559 PolarHBondContact O-N 3.46Å; I556-L559 PolarHBondContact O-N 2.81Å; K557-L559 PolarHBondContact O-N 3.02Å; L559-F563 VanDerWaalsContact O-CB 3.31Å; L559-F563 WeakPolarHBondContact O-CB 3.46Å; L559-F563 PolarHBondContact O-N 3.03Å; L559-F660 HydrophobicContact CD2-CD1 4.14Å; L559-F660 HydrophobicContact CD2-CE1 3.75Å; L559-F660 HydrophobicContact CG-CE1 4.06Å
560	L	94.2	Very high	90.6	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-65	-43.9	173.4	-78.9	165	0	0	0	112	L466 L493 L497 L517 I545 I556 K557 F563 I564	L466-L560 HydrophobicContact CD1-CD1 4.28Å; L466-L560 HydrophobicContact CD1-CD2 3.67Å; L493-L560 HydrophobicContact CD1-CD1 3.95Å; L493-L560 HydrophobicContact CD1-CD2 4.19Å; L493-L560 HydrophobicContact CD1-CG 4.31Å; L497-L560 HydrophobicContact CD2-CD2 3.9Å; L497-L560 HydrophobicContact CD2-CG 4.37Å; L517-L560 HydrophobicContact CD1-CD2 4.33Å; I545-L560 HydrophobicContact CB-CD1 4.48Å; I545-L560 HydrophobicContact CD1-CB 3.83Å; I545-L560 HydrophobicContact CD1-CD1 3.87Å; I545-L560 HydrophobicContact CG1-CD1 4Å; I545-L560 HydrophobicContact CG2-CD1 3.74Å; I556-L560 HydrophobicContact CG2-CD1 4.02Å; I556-L560 WeakPolarHBondContact O-CB 3.21Å; I556-L560 WeakPolarHBondContact O-CG 3.4Å; I556-L560 PolarHBondContact O-N 3.24Å; K557-L560 PolarHBondContact O-N 2.71Å; L560-F563 WeakPolarHBondContact O-CB 3.36Å; L560-F563 PolarHBondContact O-N 3.23Å; L560-I564 WeakPolarHBondContact O-CG1 3.46Å; L560-I564 PolarHBondContact O-N 3.47Å; L560-I564 VanDerWaalsContact O-N 3.1Å
561	I	94.8	Very high	91.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.7	-48.6	176.2	-69.4	164.2	0	0	0	110.1	I545 K557 G558 F563 I564 H565 I572 V577 F645 L656 Y702 F705	I545-I561 HydrophobicContact CD1-CG1 4.39Å; K557-I561 WeakPolarHBondContact O-CD1 3.24Å; K557-I561 VanDerWaalsContact O-CG1 3.26Å; K557-I561 WeakPolarHBondContact O-CG1 3.11Å; K557-I561 PolarHBondContact O-N 3.01Å; G558-I561 PolarHBondContact O-N 3.25Å; I561-F563 VanDerWaalsContact C-N 3.33Å; I561-F563 PolarHBondContact O-N 2.83Å; I561-I564 PolarHBondContact O-N 2.72Å; I561-H565 WeakPolarHBondContact O-CB 3.39Å; I561-H565 PolarHBondContact O-N 3.08Å; I561-I572 HydrophobicContact CG2-CD1 4.1Å; I561-V577 HydrophobicContact CG1-CG1 4.44Å; I561-F645 HydrophobicContact CD1-CD1 4.42Å; I561-F645 HydrophobicContact CD1-CE1 3.91Å; I561-F645 HydrophobicContact CD1-CE2 4.2Å; I561-F645 HydrophobicContact CD1-CZ 3.8Å; I561-L656 HydrophobicContact CG2-CD1 3.73Å; I561-L656 HydrophobicContact CG2-CD2 3.59Å; I561-L656 HydrophobicContact CG2-CG 4.34Å; I561-Y702 HydrophobicContact CD1-CD1 4.25Å; I561-Y702 HydrophobicContact CD1-CE1 4.4Å; I561-Y702 HydrophobicContact CG1-CE1 4.33Å; I561-Y702 HydrophobicContact CG2-CD1 3.59Å; I561-Y702 HydrophobicContact CG2-CE1 3.8Å; I561-F705 HydrophobicContact CD1-CD1 4.15Å; I561-F705 HydrophobicContact CD1-CE1 4.02Å; I561-F705 HydrophobicContact CD1-CZ 4.37Å
562	N	94.7	Very high	91.6	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-64.4	-33.7	176.5	170.5	60.9	0	0	0	112.9	N499 R501 G558 H565 H566 F660	N499-N562 PolarHBondContact OD1-ND2 3.15Å; R501-N562 PolarHBondContact NE-OD1 3.5Å; G558-N562 WeakPolarHBondContact O-CB 3.28Å; G558-N562 PolarHBondContact O-N 3.21Å; N562-H565 PolarHBondContact O-N 3.24Å; N562-H566 VanDerWaalsContact O-CB 3.28Å; N562-H566 WeakPolarHBondContact O-CB 3.47Å; N562-H566 PolarHBondContact O-N 3.03Å; N562-F660 HydrophobicContact CB-CB 4.19Å; N562-F660 HydrophobicContact CB-CD1 4.25Å; N562-F660 HydrophobicContact CB-CD2 3.52Å; N562-F660 HydrophobicContact CB-CE2 3.94Å; N562-F660 HydrophobicContact CB-CG 3.7Å; N562-F660 HydrophobicContact CB-CZ 4.49Å; N562-F660 VanDerWaalsContact CG-CB 3.49Å
563	F	93.7	Very high	91.8	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.013	9%	0.091	C	C	.	.	H	α-helix	trans	-60	-43.9	172.4	163.6	-114.7	0	0	0	112.4	L497 V500 I514 L517 V518 L559 L560 I561 N567 W568	L497-F563 HydrophobicContact CD2-CB 3.79Å; L497-F563 HydrophobicContact CD2-CD1 4.2Å; L497-F563 HydrophobicContact CD2-CG 4Å; V500-F563 HydrophobicContact CG1-CD2 3.81Å; V500-F563 HydrophobicContact CG1-CE2 4.44Å; V500-F563 HydrophobicContact CG2-CB 4.32Å; V500-F563 HydrophobicContact CG2-CD2 4.08Å; I514-F563 HydrophobicContact CG1-CE2 4.49Å; I514-F563 HydrophobicContact CG2-CE2 3.73Å; I514-F563 HydrophobicContact CG2-CZ 4.13Å; L517-F563 HydrophobicContact CB-CE1 4.43Å; L517-F563 HydrophobicContact CD1-CE1 4.32Å; V518-F563 HydrophobicContact CG2-CZ 4.01Å; L559-F563 VanDerWaalsContact O-CB 3.31Å; L559-F563 WeakPolarHBondContact O-CB 3.46Å; L559-F563 PolarHBondContact O-N 3.03Å; L560-F563 WeakPolarHBondContact O-CB 3.36Å; L560-F563 PolarHBondContact O-N 3.23Å; I561-F563 VanDerWaalsContact C-N 3.33Å; I561-F563 PolarHBondContact O-N 2.83Å; F563-N567 PolarHBondContact O-ND2 2.84Å; F563-W568 HydrophobicContact CE1-CZ3 4.3Å; F563-W568 HydrophobicContact CE2-CH2 4.42Å; F563-W568 AromaticContact CE2-CZ3 3.93Å; F563-W568 HydrophobicContact CE2-CZ3 3.93Å; F563-W568 HydrophobicContact CZ-CH2 4.25Å; F563-W568 AromaticContact CZ-CZ3 3.69Å; F563-W568 HydrophobicContact CZ-CZ3 3.69Å
564	I	93.2	Very high	91.7	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.031	11%	0.109	C	C	.	.	H	α-helix	trans	-72	-45	176.1	-61.5	169.5	0	0	0	110.3	L560 I561 H566 W568 L571 I572 F576 V577	L560-I564 WeakPolarHBondContact O-CG1 3.46Å; L560-I564 PolarHBondContact O-N 3.47Å; L560-I564 VanDerWaalsContact O-N 3.1Å; I561-I564 PolarHBondContact O-N 2.72Å; I564-H566 PolarHBondContact O-N 3.21Å; I564-W568 CarbonylContact O-C 3.58Å; I564-W568 VanDerWaalsContact O-C 3.23Å; I564-W568 WeakPolarHBondContact O-CA 3.43Å; I564-W568 PolarHBondContact O-N 2.99Å; I564-L571 HydrophobicContact CG2-CB 3.89Å; I564-L571 HydrophobicContact CG2-CD1 4.29Å; I564-I572 HydrophobicContact CG2-CG1 4.15Å; I564-F576 HydrophobicContact CD1-CD1 4.25Å; I564-F576 HydrophobicContact CD1-CE1 4.29Å; I564-V577 HydrophobicContact CD1-CG2 3.77Å
565	H	93.5	Very high	91.5	Very high	12 Å²	12	26.2 Å²	26.2	6%	0.056	13%	0.127	C	C	.	.	H	α-helix	trans	-54.5	-51.7	178.8	-175.7	-161.8	0	0	0	112.2	R501 I561 N562 P569 I572 D653 L656	R501-H565 PolarHBondContact NH2-ND1 3.47Å; I561-H565 WeakPolarHBondContact O-CB 3.39Å; I561-H565 PolarHBondContact O-N 3.08Å; N562-H565 PolarHBondContact O-N 3.24Å; H565-P569 WeakPolarHBondContact O-CA 3.49Å; H565-P569 WeakPolarHBondContact O-CB 3.3Å; H565-P569 VanDerWaalsContact O-CD 3.29Å; H565-P569 WeakPolarHBondContact O-CD 3.29Å; H565-I572 HydrophobicContact CB-CD1 3.47Å; H565-I572 VanDerWaalsContact CB-CD1 3.47Å; H565-D653 PolarHBondContact CE1-O 2.63Å; H565-D653 IonicContact NE2-OD1 2.73Å; H565-D653 PolarHBondContact NE2-OD1 3.26Å; H565-L656 HydrophobicContact CB-CD1 4.22Å; H565-L656 VanDerWaalsContact ND1-CB 3.32Å; H565-L656 WeakPolarHBondContact ND1-CB 3.39Å
566	H	91.2	Very high	91.6	Very high	80 Å²	80	24.6 Å²	24.6	37%	0.37	12%	0.12	S	C	.	.	H	α-helix	trans	-70.1	-36.2	-172	-176.1	64.6	0	0	0	113.1	V500 N562 I564	V500-H566 HydrophobicContact CG2-CB 4.15Å; N562-H566 VanDerWaalsContact O-CB 3.28Å; N562-H566 WeakPolarHBondContact O-CB 3.47Å; N562-H566 PolarHBondContact O-N 3.03Å; I564-H566 PolarHBondContact O-N 3.21Å
567	N	89.7	Confident	91.7	Very high	36 Å²	36	24.4 Å²	24.4	19%	0.193	12%	0.119	C	C	.	.	H	α-helix	trans	-92.5	-34.2	-176.6	-67.6	-79.4	0	0	0	113.5	Y525 F563	Y525-N567 WeakPolarHBondContact CE1-OD1 3.05Å; F563-N567 PolarHBondContact O-ND2 2.84Å
568	W	92.2	Very high	91.7	Very high	3 Å²	3	24.4 Å²	24.4	1%	0.011	12%	0.118	C	C	.	.			trans	-143.6	63.1	-172.1	-58	-71.9	0	0	0	111.5	V518 L523 Q524 Y525 R527 Y529 F563 I564 S570 L571	V518-W568 HydrophobicContact CG2-CH2 3.82Å; L523-W568 HydrophobicContact CB-CH2 3.98Å; L523-W568 HydrophobicContact CB-CZ2 3.84Å; L523-W568 HydrophobicContact CB-CZ3 4.38Å; L523-W568 HydrophobicContact CD1-CE3 3.93Å; L523-W568 HydrophobicContact CD1-CH2 4.17Å; L523-W568 HydrophobicContact CD1-CZ3 3.75Å; L523-W568 HydrophobicContact CD2-CD2 3.98Å; L523-W568 HydrophobicContact CD2-CE3 4.16Å; L523-W568 HydrophobicContact CD2-CG 4.36Å; L523-W568 HydrophobicContact CG-CE3 4.48Å; L523-W568 HydrophobicContact CG-CZ3 4.48Å; Q524-W568 PolarHBondContact O-NE1 2.88Å; Y525-W568 HydrophobicContact CD1-CH2 4.05Å; Y525-W568 AromaticContact CD1-CZ2 3.77Å; Y525-W568 HydrophobicContact CD1-CZ2 3.77Å; Y525-W568 AromaticContact CE1-CH2 3.76Å; Y525-W568 HydrophobicContact CE1-CH2 3.76Å; Y525-W568 AromaticContact CE1-CZ2 3.97Å; Y525-W568 HydrophobicContact CE1-CZ2 3.97Å; Y525-W568 HydrophobicContact CG-CZ2 4.16Å; R527-W568 VanDerWaalsContact O-CD1 3.29Å; Y529-W568 AromaticContact CD2-CD1 3.67Å; Y529-W568 HydrophobicContact CD2-CG 4.29Å; Y529-W568 AromaticContact CE2-CD1 3.63Å; Y529-W568 HydrophobicContact CE2-CG 4.4Å; Y529-W568 AromaticContact CE2-NE1 3.79Å; F563-W568 HydrophobicContact CE1-CZ3 4.3Å; F563-W568 HydrophobicContact CE2-CH2 4.42Å; F563-W568 AromaticContact CE2-CZ3 3.93Å; F563-W568 HydrophobicContact CE2-CZ3 3.93Å; F563-W568 HydrophobicContact CZ-CH2 4.25Å; F563-W568 AromaticContact CZ-CZ3 3.69Å; F563-W568 HydrophobicContact CZ-CZ3 3.69Å; I564-W568 CarbonylContact O-C 3.58Å; I564-W568 VanDerWaalsContact O-C 3.23Å; I564-W568 WeakPolarHBondContact O-CA 3.43Å; I564-W568 PolarHBondContact O-N 2.99Å; W568-S570 PolarHBondContact O-N 3.03Å; W568-L571 HydrophobicContact CB-CD1 3.64Å; W568-L571 HydrophobicContact CB-CG 3.96Å; W568-L571 HydrophobicContact CG-CD1 4.16Å; W568-L571 PolarHBondContact O-N 3.47Å
569	P	88.9	Confident	91.8	Very high	56 Å²	56	24.5 Å²	24.5	36%	0.364	12%	0.119	S	C	.	.	H	α-helix	trans	-58.1	-22.7	-173.3	21.5	-33	0	0	0	114.1	H565 L571	H565-P569 WeakPolarHBondContact O-CA 3.49Å; H565-P569 WeakPolarHBondContact O-CB 3.3Å; H565-P569 VanDerWaalsContact O-CD 3.29Å; H565-P569 WeakPolarHBondContact O-CD 3.29Å; P569-L571 VanDerWaalsContact C-N 3.34Å; P569-L571 PolarHBondContact O-N 3.09Å
570	S	89.5	Confident	91.7	Very high	13 Å²	13	24.1 Å²	24.1	9%	0.091	12%	0.117	C	C	.	.	H	α-helix	trans	-66.2	-30.3	175.2	66.5	0	0	0	0	113.6	Y529 W568 I572 R573 H574	Y529-S570 PolarHBondContact N-OG 2.82Å; Y529-S570 VanDerWaalsContact O-CB 3.26Å; Y529-S570 WeakPolarHBondContact O-CB 3.45Å; Y529-S570 PolarHBondContact O-OG 2.89Å; W568-S570 PolarHBondContact O-N 3.03Å; S570-I572 PolarHBondContact O-N 3.15Å; S570-R573 WeakPolarHBondContact O-CB 3.11Å; S570-R573 PolarHBondContact O-N 3.41Å; S570-H574 PolarHBondContact O-CD2 3.38Å
571	L	91.4	Very high	91.5	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.3	-37.4	-178.5	-68	177.9	0	0	0	112.6	L523 Y529 L535 L538 I564 W568 P569 R573 H574 F576	L523-L571 HydrophobicContact CD2-CD1 3.57Å; Y529-L571 VanDerWaalsContact CB-CD2 3.47Å; Y529-L571 HydrophobicContact CD1-CD2 4.5Å; Y529-L571 HydrophobicContact CG-CD2 3.96Å; Y529-L571 HydrophobicContact CG-CG 4.44Å; L535-L571 HydrophobicContact CD2-CD2 3.66Å; L538-L571 HydrophobicContact CD1-CD2 4Å; I564-L571 HydrophobicContact CG2-CB 3.89Å; I564-L571 HydrophobicContact CG2-CD1 4.29Å; W568-L571 HydrophobicContact CB-CD1 3.64Å; W568-L571 HydrophobicContact CB-CG 3.96Å; W568-L571 HydrophobicContact CG-CD1 4.16Å; W568-L571 PolarHBondContact O-N 3.47Å; P569-L571 VanDerWaalsContact C-N 3.34Å; P569-L571 PolarHBondContact O-N 3.09Å; L571-R573 PolarHBondContact O-N 3.19Å; L571-H574 PolarHBondContact O-N 3.19Å; L571-F576 HydrophobicContact CB-CB 4.23Å; L571-F576 HydrophobicContact CB-CD1 4.24Å; L571-F576 HydrophobicContact CB-CG 4.28Å; L571-F576 HydrophobicContact CD1-CD1 4.41Å; L571-F576 HydrophobicContact CD1-CE1 4.33Å; L571-F576 WeakPolarHBondContact O-CB 3.39Å
572	I	90.4	Very high	91.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.8	-35.2	175.5	-86.8	-175.7	0	0	0	111.7	I561 I564 H565 S570 H574 Y647 L656 Y702	I561-I572 HydrophobicContact CG2-CD1 4.1Å; I564-I572 HydrophobicContact CG2-CG1 4.15Å; H565-I572 HydrophobicContact CB-CD1 3.47Å; H565-I572 VanDerWaalsContact CB-CD1 3.47Å; S570-I572 PolarHBondContact O-N 3.15Å; I572-H574 VanDerWaalsContact C-N 3.25Å; I572-H574 PolarHBondContact O-N 2.92Å; I572-Y647 HydrophobicContact CG2-CD2 3.82Å; I572-Y647 HydrophobicContact CG2-CG 4.36Å; I572-L656 HydrophobicContact CD1-CD1 4.05Å; I572-Y702 HydrophobicContact CD1-CE1 4.4Å; I572-Y702 HydrophobicContact CG1-CE1 4.38Å; I572-Y702 HydrophobicContact CG2-CD2 4.17Å; I572-Y702 HydrophobicContact CG2-CE2 3.59Å; I572-Y702 PolarHBondContact O-OH 3.03Å
573	R	89.1	Confident	90.8	Very high	123 Å²	123	24.3 Å²	24.3	46%	0.464	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.9	179.9	-52.4	-177.2	176.9	166	-1.4	113.6	S570 L571 Y647 D653	S570-R573 WeakPolarHBondContact O-CB 3.11Å; S570-R573 PolarHBondContact O-N 3.41Å; L571-R573 PolarHBondContact O-N 3.19Å; R573-Y647 HydrophobicContact CB-CD1 4.15Å; R573-Y647 HydrophobicContact CB-CG 4.41Å; R573-Y647 HydrophobicContact CG-CD1 3.69Å; R573-Y647 HydrophobicContact CG-CD2 4.2Å; R573-Y647 HydrophobicContact CG-CE1 3.8Å; R573-Y647 HydrophobicContact CG-CE2 4.31Å; R573-Y647 HydrophobicContact CG-CG 3.88Å; R573-Y647 PolarHBondContact NE-OH 3.24Å; R573-Y647 PolarHBondContact NH2-OH 2.9Å; R573-D653 IonicContact CZ-OD2 2.94Å; R573-D653 IonicContact NH2-OD2 2.71Å; R573-D653 PolarHBondContact NH2-OD2 3.36Å
574	H	85.7	Confident	90.4	Very high	84 Å²	84	26 Å²	26	39%	0.389	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	16.3	178.9	-68.3	-56	0	0	0	113.6	Y529 L535 S570 L571 I572 F576	Y529-H574 PolarHBondContact O-CD2 2.86Å; Y529-H574 PolarHBondContact O-NE2 3.07Å; L535-H574 HydrophobicContact CD1-CB 4.37Å; S570-H574 PolarHBondContact O-CD2 3.38Å; L571-H574 PolarHBondContact O-N 3.19Å; I572-H574 VanDerWaalsContact C-N 3.25Å; I572-H574 PolarHBondContact O-N 2.92Å; H574-F576 PolarHBondContact O-N 2.67Å
575	N	85.5	Confident	90	Very high	77 Å²	77	25.8 Å²	25.8	41%	0.412	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	40.3	-176.8	-54.9	-19.9	0	0	0	112.3	V577 F645	N575-V577 VanDerWaalsContact C-N 3.3Å; N575-F645 PolarHBondContact OD1-O 2.99Å
576	F	91.9	Very high	89.8	Confident	5 Å²	5	25.8 Å²	25.8	2%	0.022	13%	0.126	C	C	.	.			trans	-72.1	-22.7	-177.4	-177.3	-107.5	0	0	0	113.3	L521 L538 G541 K542 V543 I564 L571 H574	L521-F576 HydrophobicContact CD2-CZ 4.39Å; L538-F576 HydrophobicContact CD1-CD2 4.48Å; L538-F576 HydrophobicContact CD1-CE2 3.83Å; L538-F576 HydrophobicContact CD1-CZ 4.38Å; G541-F576 VanDerWaalsContact O-CD2 3.28Å; G541-F576 WeakPolarHBondContact O-CD2 3.36Å; K542-F576 WeakPolarHBondContact CA-O 3.36Å; V543-F576 HydrophobicContact CB-CE1 4.31Å; V543-F576 HydrophobicContact CG2-CD1 4.34Å; V543-F576 HydrophobicContact CG2-CE1 3.55Å; V543-F576 HydrophobicContact CG2-CZ 3.83Å; V543-F576 PolarHBondContact N-O 3.05Å; I564-F576 HydrophobicContact CD1-CD1 4.25Å; I564-F576 HydrophobicContact CD1-CE1 4.29Å; L571-F576 HydrophobicContact CB-CB 4.23Å; L571-F576 HydrophobicContact CB-CD1 4.24Å; L571-F576 HydrophobicContact CB-CG 4.28Å; L571-F576 HydrophobicContact CD1-CD1 4.41Å; L571-F576 HydrophobicContact CD1-CE1 4.33Å; L571-F576 WeakPolarHBondContact O-CB 3.39Å; H574-F576 PolarHBondContact O-N 2.67Å
577	V	94.1	Very high	89.7	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.4	-179	-168.7	0	0	0	0	110.2	V543 I545 I561 I564 N575 F645	V543-V577 WeakPolarHBondContact O-CA 3.47Å; I545-V577 HydrophobicContact CD1-CG1 3.8Å; I545-V577 HydrophobicContact CG1-CG1 4.11Å; I561-V577 HydrophobicContact CG1-CG1 4.44Å; I564-V577 HydrophobicContact CD1-CG2 3.77Å; N575-V577 VanDerWaalsContact C-N 3.3Å; V577-F645 HydrophobicContact CB-CD2 4.09Å; V577-F645 HydrophobicContact CG1-CD2 3.75Å; V577-F645 HydrophobicContact CG1-CE2 4.1Å; V577-F645 PolarHBondContact O-N 2.78Å
578	E	95	Very high	89.7	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	167	167.5	-62.9	-171.9	143.7	0	0	108.9	K542 V543 M544 I545 R642 I643 R644	K542-E578 HydrophobicContact CD-CG 4.23Å; K542-E578 WeakPolarHBondContact CD-OE2 3.43Å; K542-E578 VanDerWaalsContact NZ-CD 3.29Å; K542-E578 IonicContact NZ-OE1 3.29Å; K542-E578 PolarHBondContact NZ-OE1 3.4Å; K542-E578 IonicContact NZ-OE2 2.7Å; V543-E578 PolarHBondContact O-N 2.76Å; M544-E578 CarbonylContact C-O 3.56Å; M544-E578 VanDerWaalsContact CA-O 3.3Å; M544-E578 WeakPolarHBondContact CA-O 3.45Å; M544-E578 HydrophobicContact CE-CB 4.5Å; I545-E578 PolarHBondContact N-O 2.7Å; E578-R642 HydrophobicContact CB-CG 4.49Å; E578-R642 WeakPolarHBondContact OE2-CD 3.44Å; E578-R642 IonicContact OE2-CZ 3.55Å; E578-R642 IonicContact OE2-NE 2.73Å; E578-R642 IonicContact OE2-NH1 2.7Å; E578-R642 PolarHBondContact OE2-NH1 2.88Å; E578-I643 WeakPolarHBondContact CA-O 3.47Å; E578-R644 HydrophobicContact CG-CG 4.15Å; E578-R644 WeakPolarHBondContact OE1-CD 3.43Å; E578-R644 WeakPolarHBondContact OE1-CG 3.24Å; E578-R644 IonicContact OE1-NE 2.66Å; E578-R644 PolarHBondContact OE1-NE 3.23Å
579	E	93.9	Very high	89.6	Confident	2 Å²	2	25.9 Å²	25.9	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	153.5	177.6	-157.5	-164.1	160.8	0	0	110.2	I545 K557 I581 R642 I643 F645 Y693	I545-E579 CarbonylContact O-C 3.56Å; I545-E579 WeakPolarHBondContact O-CA 3.48Å; K557-E579 HydrophobicContact CD-CG 4.41Å; K557-E579 WeakPolarHBondContact CD-OE1 3.16Å; K557-E579 WeakPolarHBondContact CE-OE1 3.2Å; K557-E579 IonicContact NZ-OE1 2.85Å; K557-E579 PolarHBondContact NZ-OE1 2.89Å; E579-I581 HydrophobicContact CG-CG2 4.41Å; E579-I581 WeakPolarHBondContact OE1-CG2 3.42Å; E579-R642 WeakPolarHBondContact O-CA 3.28Å; E579-I643 HydrophobicContact CB-CB 4.2Å; E579-I643 PolarHBondContact N-O 2.88Å; E579-I643 PolarHBondContact O-N 2.91Å; E579-I643 VanDerWaalsContact O-N 3.14Å; E579-F645 HydrophobicContact CB-CE2 4.11Å; E579-Y693 PolarHBondContact OE1-OH 2.93Å; E579-Y693 PolarHBondContact OE2-OH 2.72Å
580	F	92.7	Very high	89.5	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	107.3	167.6	-167.2	-83.6	0	0	0	109.5	M544 I545 M546 T582 F635 M638 H641	M544-F580 HydrophobicContact CE-CD2 4.44Å; M544-F580 HydrophobicContact CG-CB 4.02Å; M544-F580 HydrophobicContact SD-CB 4.07Å; M544-F580 HydrophobicContact SD-CD2 4.01Å; I545-F580 PolarHBondContact O-N 2.96Å; M546-F580 HydrophobicContact CB-CB 4.07Å; M546-F580 HydrophobicContact CE-CD1 3.85Å; M546-F580 HydrophobicContact CE-CE1 3.9Å; M546-F580 HydrophobicContact CG-CB 4.06Å; M546-F580 HydrophobicContact CG-CD1 4.05Å; M546-F580 HydrophobicContact CG-CG 4.29Å; M546-F580 HydrophobicContact SD-CD1 4.1Å; M546-F580 HydrophobicContact SD-CG 4.27Å; F580-T582 HydrophobicContact CD1-CG2 4.21Å; F580-T582 HydrophobicContact CE1-CG2 3.83Å; F580-F635 HydrophobicContact CE1-CE2 4.14Å; F580-F635 AromaticContact CE2-CD2 3.92Å; F580-F635 HydrophobicContact CE2-CD2 3.92Å; F580-F635 AromaticContact CE2-CE2 3.76Å; F580-F635 HydrophobicContact CE2-CE2 3.76Å; F580-F635 HydrophobicContact CE2-CG 4.4Å; F580-F635 HydrophobicContact CE2-CZ 4.08Å; F580-F635 AromaticContact CZ-CD2 3.62Å; F580-F635 HydrophobicContact CZ-CD2 3.62Å; F580-F635 AromaticContact CZ-CE2 3.5Å; F580-F635 HydrophobicContact CZ-CE2 3.5Å; F580-F635 HydrophobicContact CZ-CG 4.46Å; F580-F635 HydrophobicContact CZ-CZ 4.26Å; F580-M638 HydrophobicContact CD2-CE 4.22Å; F580-M638 HydrophobicContact CD2-SD 4.29Å; F580-M638 HydrophobicContact CE2-CE 3.72Å; F580-M638 HydrophobicContact CE2-SD 4.18Å; F580-H641 CarbonylContact C-O 3.22Å; F580-H641 VanDerWaalsContact CA-O 3.31Å; F580-H641 WeakPolarHBondContact CA-O 3.41Å; F580-H641 HydrophobicContact CD2-CB 4.36Å; F580-H641 HydrophobicContact CE1-CB 4.42Å; F580-H641 HydrophobicContact CE2-CB 3.93Å; F580-H641 HydrophobicContact CZ-CB 3.98Å
581	I	90.6	Very high	89.3	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.193	C	C	.	.			trans	-92.7	157	176	63	171.1	0	0	0	110.9	E579 F597 H641 I643 Y693	E579-I581 HydrophobicContact CG-CG2 4.41Å; E579-I581 WeakPolarHBondContact OE1-CG2 3.42Å; I581-F597 HydrophobicContact CD1-CD1 3.73Å; I581-F597 HydrophobicContact CD1-CE1 4.17Å; I581-F597 HydrophobicContact CG1-CD1 4.05Å; I581-F597 HydrophobicContact CG1-CE1 4.13Å; I581-H641 PolarHBondContact N-O 2.85Å; I581-H641 PolarHBondContact O-CD2 2.8Å; I581-I643 HydrophobicContact CD1-CD1 3.87Å; I581-I643 HydrophobicContact CD1-CG1 3.86Å; I581-I643 HydrophobicContact CG1-CG1 4.14Å; I581-I643 HydrophobicContact CG2-CG1 3.94Å; I581-Y693 HydrophobicContact CD1-CD1 4.28Å; I581-Y693 HydrophobicContact CG2-CD1 4.29Å; I581-Y693 HydrophobicContact CG2-CE1 3.79Å
582	T	88.3	Confident	89.2	Confident	7 Å²	7	42.5 Å²	42.5	4%	0.043	22%	0.22	C	C	.	.			trans	-132.3	159.6	173	50.5	0	0	0	0	111.3	Q549 F580 L623 Y634	Q549-T582 VanDerWaalsContact CG-OG1 3.3Å; Q549-T582 WeakPolarHBondContact CG-OG1 3.48Å; F580-T582 HydrophobicContact CD1-CG2 4.21Å; F580-T582 HydrophobicContact CE1-CG2 3.83Å; T582-L623 HydrophobicContact CG2-CD2 3.48Å; T582-L623 VanDerWaalsContact CG2-CD2 3.48Å; T582-L623 WeakPolarHBondContact OG1-CD2 3.13Å; T582-Y634 HydrophobicContact CG2-CD2 3.8Å; T582-Y634 HydrophobicContact CG2-CE2 3.76Å
583	P	86.8	Confident	89.1	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.013	25%	0.248	C	C	.	.			trans	-58.5	139.3	173.5	-22.6	33.2	0	0	0	112.1	K586 A595 F596 F597 Y620 Y634	P583-K586 HydrophobicContact CB-CG 4.31Å; P583-A595 HydrophobicContact CB-CB 3.91Å; P583-A595 HydrophobicContact CG-CB 3.8Å; P583-F596 CarbonylContact C-O 3.58Å; P583-F596 WeakPolarHBondContact CA-O 3.16Å; P583-F597 HydrophobicContact CG-CE1 4.02Å; P583-F597 HydrophobicContact CG-CE2 3.99Å; P583-F597 HydrophobicContact CG-CZ 3.69Å; P583-Y620 WeakPolarHBondContact O-CB 3.43Å; P583-Y634 HydrophobicContact CG-CE1 4.13Å
584	I	84.3	Confident	89.1	Confident	39 Å²	39	46.5 Å²	46.5	20%	0.2	24%	0.242	C	C	.	.	S	Bend	trans	-88.7	-33.4	176.1	-58.4	-179.2	0	0	0	110.5	Q549 F596 F597 L599 Y619 Y620	Q549-I584 HydrophobicContact CB-CG1 4.35Å; I584-F596 PolarHBondContact N-O 3.06Å; I584-F597 WeakPolarHBondContact CD1-O 3.47Å; I584-L599 HydrophobicContact CG2-CD2 4.19Å; I584-Y619 CarbonylContact O-C 3.52Å; I584-Y619 WeakPolarHBondContact O-CA 3.33Å; I584-Y620 PolarHBondContact O-N 2.7Å
585	V	85.3	Confident	89.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	137.1	178.2	-170.9	0	0	0	0	109.1	V587 F596 L599 Y602 I617 Y619	V585-V587 HydrophobicContact CG1-CG1 4.25Å; V585-F596 HydrophobicContact CB-CB 4.45Å; V585-F596 HydrophobicContact CB-CD2 4.35Å; V585-F596 PolarHBondContact N-O 3.28Å; V585-F596 PolarHBondContact O-N 3.34Å; V585-L599 HydrophobicContact CG2-CD2 3.78Å; V585-Y602 HydrophobicContact CB-CG 4.37Å; V585-Y602 HydrophobicContact CG1-CD2 3.94Å; V585-Y602 HydrophobicContact CG1-CE2 4.15Å; V585-Y602 HydrophobicContact CG1-CG 4.15Å; V585-Y602 HydrophobicContact CG2-CD1 4.3Å; V585-Y602 HydrophobicContact CG2-CG 4.26Å; V585-I617 HydrophobicContact CG1-CG2 3.88Å; V585-Y619 HydrophobicContact CG2-CD1 3.7Å; V585-Y619 HydrophobicContact CG2-CE1 3.73Å
586	K	88.4	Confident	89.3	Confident	13 Å²	13	41.6 Å²	41.6	6%	0.057	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.2	160.9	-55.4	-174.4	-172	172.7	0	110.2	P583 K594 A595 K618 Y620 E630 Y634	P583-K586 HydrophobicContact CB-CG 4.31Å; K586-K594 CarbonylContact C-O 3.58Å; K586-K594 VanDerWaalsContact CA-O 3.23Å; K586-K594 WeakPolarHBondContact CA-O 3.28Å; K586-A595 HydrophobicContact CD-CB 4.38Å; K586-A595 HydrophobicContact CG-CB 3.96Å; K586-K618 PolarHBondContact N-O 2.66Å; K586-K618 PolarHBondContact O-N 2.98Å; K586-Y620 HydrophobicContact CB-CD2 4.45Å; K586-Y620 HydrophobicContact CB-CE2 3.71Å; K586-Y620 HydrophobicContact CD-CE2 3.8Å; K586-Y620 HydrophobicContact CG-CD2 4.06Å; K586-Y620 HydrophobicContact CG-CE2 3.55Å; K586-E630 IonicContact NZ-OE1 3.37Å; K586-E630 PolarHBondContact NZ-OE1 3.26Å; K586-Y634 WeakPolarHBondContact CE-OH 3.12Å; K586-Y634 PolarHBondContact NZ-OH 3.35Å
587	V	90.3	Very high	88.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.5	173.6	-57.8	0	0	0	0	109.1	V585 E593 K594 F596 Y602 W605 W615 I617	V585-V587 HydrophobicContact CG1-CG1 4.25Å; V587-E593 WeakPolarHBondContact O-CA 3.44Å; V587-K594 HydrophobicContact CG2-CB 3.8Å; V587-K594 PolarHBondContact N-O 2.95Å; V587-K594 PolarHBondContact O-N 3.26Å; V587-F596 HydrophobicContact CG1-CE2 4.01Å; V587-F596 HydrophobicContact CG2-CE2 3.69Å; V587-F596 HydrophobicContact CG2-CZ 4.27Å; V587-Y602 HydrophobicContact CG1-CD2 4.12Å; V587-Y602 HydrophobicContact CG1-CE2 3.87Å; V587-W605 HydrophobicContact CB-CH2 4.1Å; V587-W605 HydrophobicContact CB-CZ3 4.14Å; V587-W605 HydrophobicContact CG1-CE3 4.38Å; V587-W605 HydrophobicContact CG1-CH2 4.24Å; V587-W605 HydrophobicContact CG1-CZ3 3.77Å; V587-W605 HydrophobicContact CG2-CE3 4.34Å; V587-W605 HydrophobicContact CG2-CH2 3.76Å; V587-W605 HydrophobicContact CG2-CZ2 4.06Å; V587-W605 HydrophobicContact CG2-CZ3 3.93Å; V587-W615 HydrophobicContact CB-CB 4.42Å; V587-W615 HydrophobicContact CB-CE3 4.09Å; V587-W615 HydrophobicContact CG2-CE3 3.82Å; V587-W615 HydrophobicContact CG2-CZ3 4.23Å; V587-I617 HydrophobicContact CG1-CB 4.37Å; V587-I617 HydrophobicContact CG1-CG1 3.83Å; V587-I617 HydrophobicContact CG1-CG2 4.4Å
588	T	89.7	Confident	88.2	Confident	44 Å²	44	42.5 Å²	42.5	27%	0.27	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	135.4	-170.4	59.7	0	0	0	0	111.2	E592 E593 K616	T588-E592 CarbonylContact C-O 3.56Å; T588-E592 WeakPolarHBondContact CA-O 2.85Å; T588-E593 HydrophobicContact CG2-CB 4.35Å; T588-E593 HydrophobicContact CG2-CG 3.96Å; T588-K616 PolarHBondContact N-O 2.97Å; T588-K616 PolarHBondContact O-N 3.13Å; T588-K616 PolarHBondContact OG1-O 3Å
589	K	89.7	Confident	87.4	Confident	77 Å²	77	43.9 Å²	43.9	34%	0.335	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	99.9	177.9	-174.3	167.6	179.5	172.4	0	110.6	K591 E592 T614 W615	K589-K591 PolarHBondContact O-N 2.9Å; K589-E592 PolarHBondContact N-O 3.29Å; K589-E592 PolarHBondContact O-N 3.37Å; K589-T614 PolarHBondContact NZ-OG1 3.15Å; K589-W615 HydrophobicContact CB-CD2 3.61Å; K589-W615 HydrophobicContact CB-CE3 3.48Å; K589-W615 VanDerWaalsContact CB-CE3 3.48Å; K589-W615 HydrophobicContact CB-CG 4.16Å; K589-W615 HydrophobicContact CB-CH2 4.12Å; K589-W615 HydrophobicContact CB-CZ2 4.26Å; K589-W615 HydrophobicContact CB-CZ3 3.76Å; K589-W615 HydrophobicContact CD-CD2 3.94Å; K589-W615 HydrophobicContact CD-CG 4.11Å; K589-W615 HydrophobicContact CD-CZ2 4.08Å; K589-W615 HydrophobicContact CG-CD2 4.41Å
590	G	87.2	Confident	86.4	Confident	90 Å²	90	45 Å²	45	93%	0.928	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.4	-91.2	-178.3	0	0	0	0	0	112.6
591	K	85.1	Confident	85.8	Confident	209 Å²	209	46.2 Å²	46.2	91%	0.909	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.1	-4.3	174.9	-64.5	-176	-179	178	0	113.5	K589	K589-K591 PolarHBondContact O-N 2.9Å
592	E	88.8	Confident	85.5	Confident	119 Å²	119	46.6 Å²	46.6	56%	0.556	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.1	172.8	-69.2	-173.4	-155.4	0	0	109.4	T588 K589 W615	T588-E592 CarbonylContact C-O 3.56Å; T588-E592 WeakPolarHBondContact CA-O 2.85Å; K589-E592 PolarHBondContact N-O 3.29Å; K589-E592 PolarHBondContact O-N 3.37Å; E592-W615 HydrophobicContact CB-CH2 3.9Å; E592-W615 HydrophobicContact CB-CZ3 4.03Å; E592-W615 WeakPolarHBondContact OE2-CH2 3.4Å
593	E	88.1	Confident	85.1	Confident	126 Å²	126	48.4 Å²	48.4	59%	0.589	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.1	172	-55.3	-171.7	169.8	0	0	108.2	V587 T588	V587-E593 WeakPolarHBondContact O-CA 3.44Å; T588-E593 HydrophobicContact CG2-CB 4.35Å; T588-E593 HydrophobicContact CG2-CG 3.96Å
594	K	89.1	Confident	84.9	Confident	80 Å²	80	52.7 Å²	52.7	35%	0.348	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.9	172.8	-63.8	171.9	-175.2	165.2	0	108.9	K586 V587 F596 W615	K586-K594 CarbonylContact C-O 3.58Å; K586-K594 VanDerWaalsContact CA-O 3.23Å; K586-K594 WeakPolarHBondContact CA-O 3.28Å; V587-K594 HydrophobicContact CG2-CB 3.8Å; V587-K594 PolarHBondContact N-O 2.95Å; V587-K594 PolarHBondContact O-N 3.26Å; K594-F596 HydrophobicContact CB-CE2 4.48Å; K594-F596 HydrophobicContact CB-CZ 4.2Å; K594-W615 HydrophobicContact CD-CH2 4.28Å; K594-W615 HydrophobicContact CD-CZ3 4.36Å
595	A	88.5	Confident	85.1	Confident	42 Å²	42	52.1 Å²	52.1	35%	0.347	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.1	-173.9	0	0	0	0	0	109.9	P583 K586	P583-A595 HydrophobicContact CB-CB 3.91Å; P583-A595 HydrophobicContact CG-CB 3.8Å; K586-A595 HydrophobicContact CD-CB 4.38Å; K586-A595 HydrophobicContact CG-CB 3.96Å
596	F	87.7	Confident	85.1	Confident	17 Å²	17	54.1 Å²	54.1	8%	0.075	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137.7	-176.5	-56	-66.9	0	0	0	110.1	P583 I584 V585 V587 K594 E601 Y602 W605	P583-F596 CarbonylContact C-O 3.58Å; P583-F596 WeakPolarHBondContact CA-O 3.16Å; I584-F596 PolarHBondContact N-O 3.06Å; V585-F596 HydrophobicContact CB-CB 4.45Å; V585-F596 HydrophobicContact CB-CD2 4.35Å; V585-F596 PolarHBondContact N-O 3.28Å; V585-F596 PolarHBondContact O-N 3.34Å; V587-F596 HydrophobicContact CG1-CE2 4.01Å; V587-F596 HydrophobicContact CG2-CE2 3.69Å; V587-F596 HydrophobicContact CG2-CZ 4.27Å; K594-F596 HydrophobicContact CB-CE2 4.48Å; K594-F596 HydrophobicContact CB-CZ 4.2Å; F596-E601 HydrophobicContact CB-CB 4.36Å; F596-E601 HydrophobicContact CD1-CB 4.29Å; F596-E601 HydrophobicContact CD1-CG 3.81Å; F596-Y602 AromaticContact CD2-CD2 3.86Å; F596-Y602 HydrophobicContact CD2-CD2 3.86Å; F596-Y602 HydrophobicContact CD2-CG 4.22Å; F596-Y602 AromaticContact CE2-CD2 3.88Å; F596-Y602 HydrophobicContact CE2-CD2 3.88Å; F596-W605 HydrophobicContact CE1-CB 3.91Å; F596-W605 HydrophobicContact CE1-CG 4.13Å; F596-W605 HydrophobicContact CE2-CB 4.49Å; F596-W605 HydrophobicContact CE2-CD2 4.09Å; F596-W605 AromaticContact CE2-CE3 3.92Å; F596-W605 HydrophobicContact CE2-CE3 3.92Å; F596-W605 HydrophobicContact CE2-CG 4.34Å; F596-W605 HydrophobicContact CZ-CB 3.65Å; F596-W605 AromaticContact CZ-CD2 3.64Å; F596-W605 HydrophobicContact CZ-CD2 3.64Å; F596-W605 AromaticContact CZ-CE3 3.95Å; F596-W605 HydrophobicContact CZ-CE3 3.95Å; F596-W605 AromaticContact CZ-CG 3.48Å; F596-W605 HydrophobicContact CZ-CG 3.48Å; F596-W605 VanDerWaalsContact CZ-CG 3.48Å
597	F	84.4	Confident	84.7	Confident	16 Å²	16	59.6 Å²	59.6	7%	0.07	31%	0.308	C	S	.	.	S	Bend	trans	-103.2	-4.4	-177	-69.7	-102	0	0	0	112.7	I581 P583 I584 E601 R640 H641	I581-F597 HydrophobicContact CD1-CD1 3.73Å; I581-F597 HydrophobicContact CD1-CE1 4.17Å; I581-F597 HydrophobicContact CG1-CD1 4.05Å; I581-F597 HydrophobicContact CG1-CE1 4.13Å; P583-F597 HydrophobicContact CG-CE1 4.02Å; P583-F597 HydrophobicContact CG-CE2 3.99Å; P583-F597 HydrophobicContact CG-CZ 3.69Å; I584-F597 WeakPolarHBondContact CD1-O 3.47Å; F597-E601 PolarHBondContact N-OE2 3Å; F597-R640 HydrophobicContact CE1-CG 4.26Å; F597-R640 HydrophobicContact CE2-CG 3.88Å; F597-R640 HydrophobicContact CZ-CG 3.64Å; F597-H641 AromaticContact CZ-CE1 3.97Å; F597-H641 AromaticContact CZ-NE2 3.7Å
598	S	79.1	Confident	84.5	Confident	7 Å²	7	66.2 Å²	66.2	5%	0.049	34%	0.339	C	S	.	.	S	Bend	trans	-141.1	156.8	164.8	78.9	0	0	0	0	111.4	E601 Y602 Y691	S598-E601 WeakPolarHBondContact O-CB 3.45Å; S598-E601 PolarHBondContact O-N 3.44Å; S598-E601 PolarHBondContact OG-N 3.26Å; S598-Y602 PolarHBondContact O-N 3.48Å; S598-Y691 WeakPolarHBondContact OG-CD2 3.35Å; S598-Y691 WeakPolarHBondContact OG-CE2 3.16Å
599	L	76.9	Confident	84.4	Confident	31 Å²	31	65.3 Å²	65.3	16%	0.162	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-41.9	175.7	-64.7	171.6	0	0	0	112	I584 V585 E601 Y602 E603 Y619 F1578	I584-L599 HydrophobicContact CG2-CD2 4.19Å; V585-L599 HydrophobicContact CG2-CD2 3.78Å; L599-E601 VanDerWaalsContact C-N 3.26Å; L599-E601 PolarHBondContact O-N 2.97Å; L599-Y602 CarbonylContact O-C 3.55Å; L599-Y602 WeakPolarHBondContact O-CA 3.44Å; L599-Y602 WeakPolarHBondContact O-CB 3.3Å; L599-Y602 PolarHBondContact O-N 3.42Å; L599-E603 VanDerWaalsContact C-OE1 3.24Å; L599-E603 WeakPolarHBondContact CB-OE1 3.48Å; L599-E603 WeakPolarHBondContact O-CG 3.49Å; L599-E603 PolarHBondContact O-N 2.73Å; L599-Y619 HydrophobicContact CD2-CD1 4.5Å; L599-Y619 HydrophobicContact CD2-CE1 4.04Å; L599-F1578 HydrophobicContact CD1-CB 3.5Å; L599-F1578 VanDerWaalsContact CD1-CB 3.5Å; L599-F1578 HydrophobicContact CD1-CD1 4.32Å; L599-F1578 HydrophobicContact CD1-CG 4.25Å
600	P	74.1	Confident	84	Confident	24 Å²	24	69.1 Å²	69.1	16%	0.156	36%	0.358	C	S	.	.	H	α-helix	trans	-64.1	-23.9	174.3	-28.1	38.8	0	0	0	115	K604 Y691	P600-K604 WeakPolarHBondContact O-CB 3.39Å; P600-K604 PolarHBondContact O-N 2.84Å; P600-K604 VanDerWaalsContact O-N 3.08Å; P600-Y691 HydrophobicContact CB-CD1 3.92Å; P600-Y691 HydrophobicContact CB-CE1 3.54Å; P600-Y691 HydrophobicContact CG-CD1 3.67Å; P600-Y691 HydrophobicContact CG-CE1 3.85Å; P600-Y691 HydrophobicContact CG-CG 4.33Å
601	E	79.9	Confident	83.9	Confident	27 Å²	27	68.2 Å²	68.2	13%	0.126	33%	0.332	C	S	.	.	H	α-helix	trans	-67	-41.9	170.7	-163.1	-171.6	-178.8	0	0	110.7	F596 F597 S598 L599 W605 R640 E695	F596-E601 HydrophobicContact CB-CB 4.36Å; F596-E601 HydrophobicContact CD1-CB 4.29Å; F596-E601 HydrophobicContact CD1-CG 3.81Å; F597-E601 PolarHBondContact N-OE2 3Å; S598-E601 WeakPolarHBondContact O-CB 3.45Å; S598-E601 PolarHBondContact O-N 3.44Å; S598-E601 PolarHBondContact OG-N 3.26Å; L599-E601 VanDerWaalsContact C-N 3.26Å; L599-E601 PolarHBondContact O-N 2.97Å; E601-W605 PolarHBondContact O-N 3.25Å; E601-R640 IonicContact OE1-NH2 2.73Å; E601-R640 IonicContact OE2-NH2 2.65Å; E601-E695 HydrophobicContact CG-CG 4.32Å
602	Y	85	Confident	83.7	Confident	8 Å²	8	59.8 Å²	59.8	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-70.8	-44.9	174.9	162	-111.5	0	0	0	113	V585 V587 F596 S598 L599 W605 K606 I617 Y619	V585-Y602 HydrophobicContact CB-CG 4.37Å; V585-Y602 HydrophobicContact CG1-CD2 3.94Å; V585-Y602 HydrophobicContact CG1-CE2 4.15Å; V585-Y602 HydrophobicContact CG1-CG 4.15Å; V585-Y602 HydrophobicContact CG2-CD1 4.3Å; V585-Y602 HydrophobicContact CG2-CG 4.26Å; V587-Y602 HydrophobicContact CG1-CD2 4.12Å; V587-Y602 HydrophobicContact CG1-CE2 3.87Å; F596-Y602 AromaticContact CD2-CD2 3.86Å; F596-Y602 HydrophobicContact CD2-CD2 3.86Å; F596-Y602 HydrophobicContact CD2-CG 4.22Å; F596-Y602 AromaticContact CE2-CD2 3.88Å; F596-Y602 HydrophobicContact CE2-CD2 3.88Å; S598-Y602 PolarHBondContact O-N 3.48Å; L599-Y602 CarbonylContact O-C 3.55Å; L599-Y602 WeakPolarHBondContact O-CA 3.44Å; L599-Y602 WeakPolarHBondContact O-CB 3.3Å; L599-Y602 PolarHBondContact O-N 3.42Å; Y602-W605 HydrophobicContact CD2-CE3 4.03Å; Y602-W605 HydrophobicContact CD2-CZ3 4.42Å; Y602-W605 HydrophobicContact CE2-CE3 4.17Å; Y602-W605 HydrophobicContact CE2-CZ3 4.14Å; Y602-W605 CarbonylContact O-C 3.59Å; Y602-W605 WeakPolarHBondContact O-CA 3.44Å; Y602-W605 WeakPolarHBondContact O-CB 3.34Å; Y602-W605 PolarHBondContact O-N 2.96Å; Y602-W605 VanDerWaalsContact O-N 3.09Å; Y602-K606 PolarHBondContact O-N 3.35Å; Y602-I617 HydrophobicContact CE2-CG1 4.3Å; Y602-I617 HydrophobicContact CE2-CG2 4.3Å; Y602-I617 WeakPolarHBondContact OH-CD1 3.49Å; Y602-Y619 WeakPolarHBondContact CE1-OH 3.42Å
603	E	78.6	Confident	83.3	Confident	45 Å²	45	59.1 Å²	59.1	21%	0.21	29%	0.291	C	S	.	.	H	α-helix	trans	-61.6	-46.3	178	-69.2	157	-137.3	0	0	111.4	L599 W605 K606 M607	L599-E603 VanDerWaalsContact C-OE1 3.24Å; L599-E603 WeakPolarHBondContact CB-OE1 3.48Å; L599-E603 WeakPolarHBondContact O-CG 3.49Å; L599-E603 PolarHBondContact O-N 2.73Å; E603-W605 PolarHBondContact O-N 3.26Å; E603-K606 WeakPolarHBondContact O-CB 3.41Å; E603-K606 PolarHBondContact O-N 2.63Å; E603-K606 VanDerWaalsContact O-N 3.09Å; E603-M607 WeakPolarHBondContact O-CB 3.1Å; E603-M607 WeakPolarHBondContact O-CG 3.42Å; E603-M607 PolarHBondContact O-N 3Å
604	K	82.7	Confident	83.2	Confident	93 Å²	93	56.2 Å²	56.2	40%	0.404	28%	0.282	S	S	.	.	H	α-helix	trans	-54.5	-39.4	172	173.5	-173.2	166.6	-169.3	0	111.4	P600 Q608 E695	P600-K604 WeakPolarHBondContact O-CB 3.39Å; P600-K604 PolarHBondContact O-N 2.84Å; P600-K604 VanDerWaalsContact O-N 3.08Å; K604-Q608 WeakPolarHBondContact O-CB 3.41Å; K604-Q608 WeakPolarHBondContact O-CG 3.48Å; K604-Q608 PolarHBondContact O-N 2.78Å; K604-E695 IonicContact NZ-OE1 3.26Å; K604-E695 PolarHBondContact NZ-OE1 3.43Å
605	W	88	Confident	83.1	Confident	26 Å²	26	53.4 Å²	53.4	10%	0.098	27%	0.269	C	S	.	.	H	α-helix	trans	-72.3	-41.3	174.6	173.6	76.2	0	0	0	113	V587 F596 E601 Y602 E603 Q608 T609 W612 W615	V587-W605 HydrophobicContact CB-CH2 4.1Å; V587-W605 HydrophobicContact CB-CZ3 4.14Å; V587-W605 HydrophobicContact CG1-CE3 4.38Å; V587-W605 HydrophobicContact CG1-CH2 4.24Å; V587-W605 HydrophobicContact CG1-CZ3 3.77Å; V587-W605 HydrophobicContact CG2-CE3 4.34Å; V587-W605 HydrophobicContact CG2-CH2 3.76Å; V587-W605 HydrophobicContact CG2-CZ2 4.06Å; V587-W605 HydrophobicContact CG2-CZ3 3.93Å; F596-W605 HydrophobicContact CE1-CB 3.91Å; F596-W605 HydrophobicContact CE1-CG 4.13Å; F596-W605 HydrophobicContact CE2-CB 4.49Å; F596-W605 HydrophobicContact CE2-CD2 4.09Å; F596-W605 AromaticContact CE2-CE3 3.92Å; F596-W605 HydrophobicContact CE2-CE3 3.92Å; F596-W605 HydrophobicContact CE2-CG 4.34Å; F596-W605 HydrophobicContact CZ-CB 3.65Å; F596-W605 AromaticContact CZ-CD2 3.64Å; F596-W605 HydrophobicContact CZ-CD2 3.64Å; F596-W605 AromaticContact CZ-CE3 3.95Å; F596-W605 HydrophobicContact CZ-CE3 3.95Å; F596-W605 AromaticContact CZ-CG 3.48Å; F596-W605 HydrophobicContact CZ-CG 3.48Å; F596-W605 VanDerWaalsContact CZ-CG 3.48Å; E601-W605 PolarHBondContact O-N 3.25Å; Y602-W605 HydrophobicContact CD2-CE3 4.03Å; Y602-W605 HydrophobicContact CD2-CZ3 4.42Å; Y602-W605 HydrophobicContact CE2-CE3 4.17Å; Y602-W605 HydrophobicContact CE2-CZ3 4.14Å; Y602-W605 CarbonylContact O-C 3.59Å; Y602-W605 WeakPolarHBondContact O-CA 3.44Å; Y602-W605 WeakPolarHBondContact O-CB 3.34Å; Y602-W605 PolarHBondContact O-N 2.96Å; Y602-W605 VanDerWaalsContact O-N 3.09Å; E603-W605 PolarHBondContact O-N 3.26Å; W605-Q608 PolarHBondContact O-N 3.39Å; W605-T609 HydrophobicContact CH2-CG2 4.49Å; W605-T609 HydrophobicContact CZ2-CG2 3.81Å; W605-T609 PolarHBondContact NE1-OG1 2.9Å; W605-T609 VanDerWaalsContact O-CB 3.25Å; W605-T609 WeakPolarHBondContact O-CB 3.26Å; W605-T609 PolarHBondContact O-N 2.84Å; W605-T609 VanDerWaalsContact O-N 3.08Å; W605-T609 PolarHBondContact O-OG1 3.11Å; W605-W612 HydrophobicContact CH2-CB 4.36Å; W605-W612 HydrophobicContact CZ3-CB 4.38Å; W605-W615 HydrophobicContact CH2-CB 4.13Å; W605-W615 AromaticContact CH2-CD1 3.87Å; W605-W615 AromaticContact CH2-CD2 3.8Å; W605-W615 HydrophobicContact CH2-CD2 3.8Å; W605-W615 HydrophobicContact CH2-CE3 4.34Å; W605-W615 AromaticContact CH2-CG 3.69Å; W605-W615 HydrophobicContact CH2-CG 3.69Å; W605-W615 AromaticContact CZ2-CD2 3.8Å; W605-W615 HydrophobicContact CZ2-CD2 3.8Å; W605-W615 AromaticContact CZ2-CE2 3.7Å; W605-W615 HydrophobicContact CZ2-CE3 4.27Å; W605-W615 HydrophobicContact CZ2-CG 4.11Å; W605-W615 HydrophobicContact CZ2-CZ2 4.15Å; W605-W615 AromaticContact CZ2-NE1 3.87Å
606	K	85.1	Confident	83	Confident	43 Å²	43	59 Å²	59	19%	0.187	29%	0.286	C	S	.	.	H	α-helix	trans	-57.3	-51.6	175.8	-168.2	-178.6	-175	-179.7	0	110.1	Y602 E603 Q608 T609 W612 E1108	Y602-K606 PolarHBondContact O-N 3.35Å; E603-K606 WeakPolarHBondContact O-CB 3.41Å; E603-K606 PolarHBondContact O-N 2.63Å; E603-K606 VanDerWaalsContact O-N 3.09Å; K606-Q608 VanDerWaalsContact C-N 3.25Å; K606-Q608 PolarHBondContact O-N 2.93Å; K606-T609 PolarHBondContact O-N 3.21Å; K606-W612 HydrophobicContact CD-CD2 4.38Å; K606-W612 HydrophobicContact CD-CE3 4.32Å; K606-W612 VanDerWaalsContact CE-CE3 3.47Å; K606-W612 HydrophobicContact CG-CB 4.21Å; K606-W612 HydrophobicContact CG-CD2 3.79Å; K606-W612 HydrophobicContact CG-CE3 4.11Å; K606-W612 HydrophobicContact CG-CG 3.83Å; K606-E1108 VanDerWaalsContact NZ-CD 3.26Å; K606-E1108 IonicContact NZ-OE1 2.71Å; K606-E1108 PolarHBondContact NZ-OE1 2.89Å; K606-E1108 IonicContact NZ-OE2 3.29Å; K606-E1108 PolarHBondContact NZ-OE2 2.7Å
607	M	81.8	Confident	82.9	Confident	127 Å²	127	59.8 Å²	59.8	63%	0.626	29%	0.29	S	S	*	.	H	α-helix	trans	-63.4	-23.5	177.3	-68.7	-178.6	-177.6	0	0	114.3	E603	E603-M607 WeakPolarHBondContact O-CB 3.1Å; E603-M607 WeakPolarHBondContact O-CG 3.42Å; E603-M607 PolarHBondContact O-N 3Å
608	Q	86.3	Confident	82.9	Confident	139 Å²	139	62.8 Å²	62.8	65%	0.65	30%	0.303	S	S	*	.	H	α-helix	trans	-96.6	-5.1	179.2	-71.4	176.3	10.1	0	0	113.8	K604 W605 K606	K604-Q608 WeakPolarHBondContact O-CB 3.41Å; K604-Q608 WeakPolarHBondContact O-CG 3.48Å; K604-Q608 PolarHBondContact O-N 2.78Å; W605-Q608 PolarHBondContact O-N 3.39Å; K606-Q608 VanDerWaalsContact C-N 3.25Å; K606-Q608 PolarHBondContact O-N 2.93Å
609	T	85.9	Confident	82.8	Confident	25 Å²	25	64.8 Å²	64.8	15%	0.153	31%	0.31	C	S	.	.			trans	-120.4	90.2	-171.8	-55.3	0	0	0	0	110.5	W605 K606 N611 W612	W605-T609 HydrophobicContact CH2-CG2 4.49Å; W605-T609 HydrophobicContact CZ2-CG2 3.81Å; W605-T609 PolarHBondContact NE1-OG1 2.9Å; W605-T609 VanDerWaalsContact O-CB 3.25Å; W605-T609 WeakPolarHBondContact O-CB 3.26Å; W605-T609 PolarHBondContact O-N 2.84Å; W605-T609 VanDerWaalsContact O-N 3.08Å; W605-T609 PolarHBondContact O-OG1 3.11Å; K606-T609 PolarHBondContact O-N 3.21Å; T609-N611 WeakPolarHBondContact CG2-OD1 3.48Å; T609-N611 PolarHBondContact O-N 3.31Å; T609-W612 VanDerWaalsContact O-CB 3.31Å; T609-W612 WeakPolarHBondContact O-CB 3.43Å; T609-W612 VanDerWaalsContact O-CD1 3.25Å; T609-W612 PolarHBondContact O-N 3.41Å
610	N	80.9	Confident	82.7	Confident	157 Å²	157	64.2 Å²	64.2	84%	0.84	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-22	-176.2	-64.7	16.9	0	0	0	115.4
611	N	85.9	Confident	82.4	Confident	72 Å²	72	65.7 Å²	65.7	39%	0.385	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	24.1	176.9	70.4	11.5	0	0	0	113.8	T609 H613 T614 W615	T609-N611 WeakPolarHBondContact CG2-OD1 3.48Å; T609-N611 PolarHBondContact O-N 3.31Å; N611-H613 PolarHBondContact O-N 2.94Å; N611-H613 VanDerWaalsContact O-N 3.16Å; N611-T614 HydrophobicContact CB-CG2 4.44Å; N611-T614 WeakPolarHBondContact O-CB 3.46Å; N611-T614 PolarHBondContact O-N 3.41Å; N611-T614 PolarHBondContact O-OG1 3.28Å; N611-W615 PolarHBondContact OD1-NE1 2.99Å
612	W	81.8	Confident	81.7	Confident	31 Å²	31	65.2 Å²	65.2	12%	0.117	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-50.9	-39	-178.5	65.5	-94.3	0	0	0	112.5	W605 K606 T609 T614 W615 I617 E1108	W605-W612 HydrophobicContact CH2-CB 4.36Å; W605-W612 HydrophobicContact CZ3-CB 4.38Å; K606-W612 HydrophobicContact CD-CD2 4.38Å; K606-W612 HydrophobicContact CD-CE3 4.32Å; K606-W612 VanDerWaalsContact CE-CE3 3.47Å; K606-W612 HydrophobicContact CG-CB 4.21Å; K606-W612 HydrophobicContact CG-CD2 3.79Å; K606-W612 HydrophobicContact CG-CE3 4.11Å; K606-W612 HydrophobicContact CG-CG 3.83Å; T609-W612 VanDerWaalsContact O-CB 3.31Å; T609-W612 WeakPolarHBondContact O-CB 3.43Å; T609-W612 VanDerWaalsContact O-CD1 3.25Å; T609-W612 PolarHBondContact O-N 3.41Å; W612-T614 PolarHBondContact O-N 2.93Å; W612-W615 WeakPolarHBondContact O-CB 3.48Å; W612-W615 PolarHBondContact O-N 2.73Å; W612-I617 HydrophobicContact CE3-CD1 4.38Å; W612-E1108 HydrophobicContact CH2-CB 4.46Å; W612-E1108 HydrophobicContact CH2-CG 4.08Å; W612-E1108 WeakPolarHBondContact CH2-OE1 3.49Å; W612-E1108 WeakPolarHBondContact CZ3-OE1 3.43Å
613	H	80	Confident	81	Confident	106 Å²	106	64.9 Å²	64.9	49%	0.491	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-61	-11.7	176.8	68.5	94.3	0	0	0	114.6	N611	N611-H613 PolarHBondContact O-N 2.94Å; N611-H613 VanDerWaalsContact O-N 3.16Å
614	T	85.4	Confident	80.6	Confident	65 Å²	65	65.3 Å²	65.3	40%	0.399	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-95.7	9.4	173.9	66.9	0	0	0	0	113.7	K589 N611 W612	K589-T614 PolarHBondContact NZ-OG1 3.15Å; N611-T614 HydrophobicContact CB-CG2 4.44Å; N611-T614 WeakPolarHBondContact O-CB 3.46Å; N611-T614 PolarHBondContact O-N 3.41Å; N611-T614 PolarHBondContact O-OG1 3.28Å; W612-T614 PolarHBondContact O-N 2.93Å
615	W	88	Confident	80	Confident	21 Å²	21	63.9 Å²	63.9	8%	0.08	33%	0.327	C	S	.	.	S	Bend	trans	-107.5	136.8	175.1	-65.3	69.7	0	0	0	109.9	V587 K589 E592 K594 W605 N611 W612 I617	V587-W615 HydrophobicContact CB-CB 4.42Å; V587-W615 HydrophobicContact CB-CE3 4.09Å; V587-W615 HydrophobicContact CG2-CE3 3.82Å; V587-W615 HydrophobicContact CG2-CZ3 4.23Å; K589-W615 HydrophobicContact CB-CD2 3.61Å; K589-W615 HydrophobicContact CB-CE3 3.48Å; K589-W615 VanDerWaalsContact CB-CE3 3.48Å; K589-W615 HydrophobicContact CB-CG 4.16Å; K589-W615 HydrophobicContact CB-CH2 4.12Å; K589-W615 HydrophobicContact CB-CZ2 4.26Å; K589-W615 HydrophobicContact CB-CZ3 3.76Å; K589-W615 HydrophobicContact CD-CD2 3.94Å; K589-W615 HydrophobicContact CD-CG 4.11Å; K589-W615 HydrophobicContact CD-CZ2 4.08Å; K589-W615 HydrophobicContact CG-CD2 4.41Å; E592-W615 HydrophobicContact CB-CH2 3.9Å; E592-W615 HydrophobicContact CB-CZ3 4.03Å; E592-W615 WeakPolarHBondContact OE2-CH2 3.4Å; K594-W615 HydrophobicContact CD-CH2 4.28Å; K594-W615 HydrophobicContact CD-CZ3 4.36Å; W605-W615 HydrophobicContact CH2-CB 4.13Å; W605-W615 AromaticContact CH2-CD1 3.87Å; W605-W615 AromaticContact CH2-CD2 3.8Å; W605-W615 HydrophobicContact CH2-CD2 3.8Å; W605-W615 HydrophobicContact CH2-CE3 4.34Å; W605-W615 AromaticContact CH2-CG 3.69Å; W605-W615 HydrophobicContact CH2-CG 3.69Å; W605-W615 AromaticContact CZ2-CD2 3.8Å; W605-W615 HydrophobicContact CZ2-CD2 3.8Å; W605-W615 AromaticContact CZ2-CE2 3.7Å; W605-W615 HydrophobicContact CZ2-CE3 4.27Å; W605-W615 HydrophobicContact CZ2-CG 4.11Å; W605-W615 HydrophobicContact CZ2-CZ2 4.15Å; W605-W615 AromaticContact CZ2-NE1 3.87Å; N611-W615 PolarHBondContact OD1-NE1 2.99Å; W612-W615 WeakPolarHBondContact O-CB 3.48Å; W612-W615 PolarHBondContact O-N 2.73Å; W615-I617 PolarHBondContact O-N 3.19Å
616	K	85.9	Confident	79.8	Confident	159 Å²	159	63.2 Å²	63.2	69%	0.691	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	106.5	169.5	178.4	169.2	-174.9	164.8	0	109.1	T588	T588-K616 PolarHBondContact N-O 2.97Å; T588-K616 PolarHBondContact O-N 3.13Å; T588-K616 PolarHBondContact OG1-O 3Å
617	I	85.9	Confident	79.8	Confident	33 Å²	33	64.7 Å²	64.7	17%	0.169	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	138.8	173.8	-59.4	143.8	0	0	0	108.6	V585 V587 Y602 W612 W615 Y619	V585-I617 HydrophobicContact CG1-CG2 3.88Å; V587-I617 HydrophobicContact CG1-CB 4.37Å; V587-I617 HydrophobicContact CG1-CG1 3.83Å; V587-I617 HydrophobicContact CG1-CG2 4.4Å; Y602-I617 HydrophobicContact CE2-CG1 4.3Å; Y602-I617 HydrophobicContact CE2-CG2 4.3Å; Y602-I617 WeakPolarHBondContact OH-CD1 3.49Å; W612-I617 HydrophobicContact CE3-CD1 4.38Å; W615-I617 PolarHBondContact O-N 3.19Å; I617-Y619 HydrophobicContact CG2-CD2 4.12Å; I617-Y619 HydrophobicContact CG2-CE2 3.56Å
618	K	83	Confident	80	Confident	80 Å²	80	61.5 Å²	61.5	35%	0.348	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	126.9	169.7	176.3	-178.4	161.4	-156.8	0	109.4	K586 Y620 T625	K586-K618 PolarHBondContact N-O 2.66Å; K586-K618 PolarHBondContact O-N 2.98Å; K618-Y620 HydrophobicContact CB-CE2 4.03Å; K618-Y620 HydrophobicContact CD-CE1 4.39Å; K618-Y620 HydrophobicContact CD-CE2 3.75Å; K618-Y620 WeakPolarHBondContact CD-OH 3.5Å; K618-Y620 WeakPolarHBondContact CE-OH 3.32Å; K618-Y620 HydrophobicContact CG-CD2 4.24Å; K618-Y620 HydrophobicContact CG-CE2 3.67Å; K618-Y620 PolarHBondContact NZ-OH 2.74Å; K618-Y620 WeakPolarHBondContact O-CD2 3.42Å; K618-Y620 WeakPolarHBondContact O-CE2 3.36Å; K618-T625 PolarHBondContact NZ-O 2.94Å
619	Y	77.4	Confident	80.2	Confident	48 Å²	48	60.2 Å²	60.2	19%	0.188	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	150	173	-64.6	-98.4	0	0	0	110.8	I584 V585 L599 Y602 I617 D839 N840	I584-Y619 CarbonylContact O-C 3.52Å; I584-Y619 WeakPolarHBondContact O-CA 3.33Å; V585-Y619 HydrophobicContact CG2-CD1 3.7Å; V585-Y619 HydrophobicContact CG2-CE1 3.73Å; L599-Y619 HydrophobicContact CD2-CD1 4.5Å; L599-Y619 HydrophobicContact CD2-CE1 4.04Å; Y602-Y619 WeakPolarHBondContact CE1-OH 3.42Å; I617-Y619 HydrophobicContact CG2-CD2 4.12Å; I617-Y619 HydrophobicContact CG2-CE2 3.56Å; Y619-D839 WeakPolarHBondContact CB-OD1 3.06Å; Y619-D839 HydrophobicContact CD2-CB 4.2Å; Y619-D839 VanDerWaalsContact CD2-OD1 3.24Å; Y619-D839 WeakPolarHBondContact CD2-OD1 3.47Å; Y619-N840 PolarHBondContact OH-OD1 2.91Å
620	Y	75.7	Confident	80.3	Confident	19 Å²	19	59.9 Å²	59.9	8%	0.075	32%	0.322	C	S	.	.			trans	-130.6	80.8	-175.2	-73.4	-102.1	0	0	0	108.8	P583 I584 K586 K618 E630	P583-Y620 WeakPolarHBondContact O-CB 3.43Å; I584-Y620 PolarHBondContact O-N 2.7Å; K586-Y620 HydrophobicContact CB-CD2 4.45Å; K586-Y620 HydrophobicContact CB-CE2 3.71Å; K586-Y620 HydrophobicContact CD-CE2 3.8Å; K586-Y620 HydrophobicContact CG-CD2 4.06Å; K586-Y620 HydrophobicContact CG-CE2 3.55Å; K618-Y620 HydrophobicContact CB-CE2 4.03Å; K618-Y620 HydrophobicContact CD-CE1 4.39Å; K618-Y620 HydrophobicContact CD-CE2 3.75Å; K618-Y620 WeakPolarHBondContact CD-OH 3.5Å; K618-Y620 WeakPolarHBondContact CE-OH 3.32Å; K618-Y620 HydrophobicContact CG-CD2 4.24Å; K618-Y620 HydrophobicContact CG-CE2 3.67Å; K618-Y620 PolarHBondContact NZ-OH 2.74Å; K618-Y620 WeakPolarHBondContact O-CD2 3.42Å; K618-Y620 WeakPolarHBondContact O-CE2 3.36Å; Y620-E630 WeakPolarHBondContact CE1-OE1 3.35Å; Y620-E630 PolarHBondContact OH-OE1 3.22Å
621	K	66.5	Low	80.6	Confident	55 Å²	55	52.4 Å²	52.4	24%	0.239	28%	0.282	C	S	.	.			trans	-77.3	-48.5	-175.8	-70.6	166.2	177.4	167.2	0	111.9	H765 D838 D839	K621-H765 PolarHBondContact NZ-CE1 3.44Å; K621-H765 PolarHBondContact NZ-NE2 3.16Å; K621-D838 IonicContact NZ-OD1 3.47Å; K621-D838 PolarHBondContact NZ-OD1 2.89Å; K621-D838 IonicContact NZ-OD2 2.97Å; K621-D838 PolarHBondContact NZ-OD2 2.84Å; K621-D839 WeakPolarHBondContact CE-OD1 3.47Å; K621-D839 IonicContact NZ-OD1 3.4Å; K621-D839 PolarHBondContact NZ-OD1 3.08Å; K621-D839 IonicContact NZ-OD2 3.55Å; K621-D839 PolarHBondContact NZ-OD2 2.94Å
622	G	65.6	Low	80.8	Confident	17 Å²	17	53.8 Å²	53.8	18%	0.175	28%	0.284	C	S	.	.	S	Bend	trans	-112.9	148.2	176.7	0	0	0	0	0	115.2	D548 G624 T625	D548-G622 VanDerWaalsContact CG-CA 3.45Å; D548-G622 WeakPolarHBondContact OD2-CA 3.44Å; G622-G624 PolarHBondContact O-N 2.81Å; G622-T625 WeakPolarHBondContact O-CB 3.12Å; G622-T625 WeakPolarHBondContact O-CG2 3.3Å; G622-T625 PolarHBondContact O-N 3.08Å; G622-T625 PolarHBondContact O-OG1 3.3Å
623	L	70.5	Confident	81.2	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-61.1	-27.7	-177.2	-70.7	169.7	0	0	0	112.7	A472 L475 M546 A547 D548 T582 T625 S626	A472-L623 HydrophobicContact CB-CB 4.1Å; A472-L623 HydrophobicContact CB-CD1 3.58Å; A472-L623 HydrophobicContact CB-CG 4.49Å; L475-L623 HydrophobicContact CD2-CB 3.96Å; L475-L623 HydrophobicContact CD2-CD2 3.85Å; L475-L623 HydrophobicContact CD2-CG 4.44Å; M546-L623 HydrophobicContact CE-CD1 4.3Å; M546-L623 HydrophobicContact CE-CD2 4.49Å; M546-L623 HydrophobicContact CG-CD1 3.83Å; A547-L623 WeakPolarHBondContact O-CD1 3.5Å; D548-L623 VanDerWaalsContact CG-N 3.29Å; D548-L623 WeakPolarHBondContact OD1-CB 3.39Å; D548-L623 WeakPolarHBondContact OD1-CD1 3.48Å; D548-L623 WeakPolarHBondContact OD1-CG 3.42Å; D548-L623 PolarHBondContact OD1-N 3.02Å; D548-L623 PolarHBondContact OD2-N 2.68Å; T582-L623 HydrophobicContact CG2-CD2 3.48Å; T582-L623 VanDerWaalsContact CG2-CD2 3.48Å; T582-L623 WeakPolarHBondContact OG1-CD2 3.13Å; L623-T625 PolarHBondContact O-N 2.97Å; L623-T625 VanDerWaalsContact O-N 3.15Å; L623-S626 PolarHBondContact O-N 2.8Å; L623-S626 VanDerWaalsContact O-N 3.15Å
624	G	69.7	Low	81.7	Confident	54 Å²	54	51.1 Å²	51.1	56%	0.557	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-61.5	-15.2	173.3	0	0	0	0	0	114.9	G622	G622-G624 PolarHBondContact O-N 2.81Å
625	T	71.7	Confident	81.9	Confident	64 Å²	64	48.2 Å²	48.2	39%	0.393	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-82.6	-10.7	176.2	67.2	0	0	0	0	114.1	K618 G622 L623	K618-T625 PolarHBondContact NZ-O 2.94Å; G622-T625 WeakPolarHBondContact O-CB 3.12Å; G622-T625 WeakPolarHBondContact O-CG2 3.3Å; G622-T625 PolarHBondContact O-N 3.08Å; G622-T625 PolarHBondContact O-OG1 3.3Å; L623-T625 PolarHBondContact O-N 2.97Å; L623-T625 VanDerWaalsContact O-N 3.15Å
626	S	82.8	Confident	82.1	Confident	12 Å²	12	51.2 Å²	51.2	8%	0.084	28%	0.279	C	S	.	.	S	Bend	trans	-88.2	130.5	177.4	-70.7	0	0	0	0	111.1	L475 L623 Y634	L475-S626 WeakPolarHBondContact CD1-O 3.34Å; L623-S626 PolarHBondContact O-N 2.8Å; L623-S626 VanDerWaalsContact O-N 3.15Å; S626-Y634 WeakPolarHBondContact OG-CE2 3.21Å; S626-Y634 PolarHBondContact OG-OH 3.5Å
627	T	85.8	Confident	82.2	Confident	73 Å²	73	47.3 Å²	47.3	45%	0.448	27%	0.266	S	S	.	.			trans	-71.6	162.3	179.4	64	0	0	0	0	112.5	K629 E630 A631	T627-K629 PolarHBondContact O-N 2.91Å; T627-K629 VanDerWaalsContact O-N 3.1Å; T627-K629 PolarHBondContact OG1-N 3.37Å; T627-E630 VanDerWaalsContact CB-OE2 3.27Å; T627-E630 WeakPolarHBondContact CB-OE2 3.41Å; T627-E630 VanDerWaalsContact CG2-OE2 3.31Å; T627-E630 WeakPolarHBondContact CG2-OE2 3.44Å; T627-E630 PolarHBondContact N-OE2 3.03Å; T627-E630 PolarHBondContact O-N 2.93Å; T627-E630 VanDerWaalsContact O-N 3.11Å; T627-E630 WeakPolarHBondContact OG1-CG 3.35Å; T627-E630 PolarHBondContact OG1-N 2.99Å; T627-E630 PolarHBondContact OG1-OE2 3.33Å; T627-A631 PolarHBondContact O-N 3.39Å
628	A	86.2	Confident	82.3	Confident	61 Å²	61	47.2 Å²	47.2	50%	0.504	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-6.7	172.9	0	0	0	0	0	114.6	A478 K632	A478-A628 HydrophobicContact CB-CB 4.32Å; A628-K632 WeakPolarHBondContact O-CD 3.39Å; A628-K632 WeakPolarHBondContact O-CG 3.44Å
629	K	88.6	Confident	82.4	Confident	112 Å²	112	45.9 Å²	45.9	49%	0.487	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-55.4	165.8	170.7	-179.3	171.6	-69	0	109.5	T627 A631 K632 E633	T627-K629 PolarHBondContact O-N 2.91Å; T627-K629 VanDerWaalsContact O-N 3.1Å; T627-K629 PolarHBondContact OG1-N 3.37Å; K629-A631 VanDerWaalsContact C-N 3.25Å; K629-A631 PolarHBondContact O-N 2.53Å; K629-K632 WeakPolarHBondContact O-CB 3.43Å; K629-K632 PolarHBondContact O-N 3.01Å; K629-E633 WeakPolarHBondContact CE-OE1 3.28Å; K629-E633 WeakPolarHBondContact CG-OE1 3.45Å; K629-E633 VanDerWaalsContact NZ-CD 3.33Å; K629-E633 IonicContact NZ-OE1 2.67Å; K629-E633 PolarHBondContact NZ-OE1 3.45Å; K629-E633 IonicContact NZ-OE2 3.22Å; K629-E633 PolarHBondContact NZ-OE2 3.27Å; K629-E633 PolarHBondContact O-N 3.5Å; K629-E633 VanDerWaalsContact O-N 3.1Å
630	E	88.1	Confident	82.9	Confident	17 Å²	17	45.5 Å²	45.5	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-37.7	179.2	-65.7	162.3	102.6	0	0	111.5	K586 Y620 T627 K632 E633 Y634	K586-E630 IonicContact NZ-OE1 3.37Å; K586-E630 PolarHBondContact NZ-OE1 3.26Å; Y620-E630 WeakPolarHBondContact CE1-OE1 3.35Å; Y620-E630 PolarHBondContact OH-OE1 3.22Å; T627-E630 VanDerWaalsContact CB-OE2 3.27Å; T627-E630 WeakPolarHBondContact CB-OE2 3.41Å; T627-E630 VanDerWaalsContact CG2-OE2 3.31Å; T627-E630 WeakPolarHBondContact CG2-OE2 3.44Å; T627-E630 PolarHBondContact N-OE2 3.03Å; T627-E630 PolarHBondContact O-N 2.93Å; T627-E630 VanDerWaalsContact O-N 3.11Å; T627-E630 WeakPolarHBondContact OG1-CG 3.35Å; T627-E630 PolarHBondContact OG1-N 2.99Å; T627-E630 PolarHBondContact OG1-OE2 3.33Å; E630-K632 VanDerWaalsContact C-N 3.27Å; E630-K632 PolarHBondContact O-N 2.84Å; E630-E633 WeakPolarHBondContact CA-OE2 3.49Å; E630-E633 WeakPolarHBondContact O-CB 3.47Å; E630-E633 PolarHBondContact O-N 3.23Å; E630-E633 VanDerWaalsContact O-N 3.1Å; E630-Y634 HydrophobicContact CB-CE1 4.22Å; E630-Y634 HydrophobicContact CB-CE2 4.19Å; E630-Y634 WeakPolarHBondContact O-CD1 3.39Å; E630-Y634 WeakPolarHBondContact O-CD2 3.35Å; E630-Y634 PolarHBondContact O-N 2.85Å
631	A	87	Confident	83.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-53.9	-41	171.7	0	0	0	0	0	113.1	L475 A478 T627 K629 F635	L475-A631 HydrophobicContact CD1-CB 3.57Å; L475-A631 HydrophobicContact CG-CB 4.01Å; A478-A631 HydrophobicContact CB-CB 3.95Å; T627-A631 PolarHBondContact O-N 3.39Å; K629-A631 VanDerWaalsContact C-N 3.25Å; K629-A631 PolarHBondContact O-N 2.53Å; A631-F635 WeakPolarHBondContact O-CB 3.27Å; A631-F635 VanDerWaalsContact O-CD2 3.22Å; A631-F635 WeakPolarHBondContact O-CD2 3.5Å; A631-F635 PolarHBondContact O-N 2.95Å; A631-F635 VanDerWaalsContact O-N 3.08Å
632	K	90.2	Very high	84.8	Confident	101 Å²	101	44.1 Å²	44.1	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-74.2	-35.5	178.5	-65.8	170.8	-175.7	174.6	0	111.3	S481 V482 A628 K629 E630 S636	S481-K632 WeakPolarHBondContact OG-CE 3.39Å; V482-K632 HydrophobicContact CG2-CB 3.76Å; V482-K632 HydrophobicContact CG2-CG 3.93Å; A628-K632 WeakPolarHBondContact O-CD 3.39Å; A628-K632 WeakPolarHBondContact O-CG 3.44Å; K629-K632 WeakPolarHBondContact O-CB 3.43Å; K629-K632 PolarHBondContact O-N 3.01Å; E630-K632 VanDerWaalsContact C-N 3.27Å; E630-K632 PolarHBondContact O-N 2.84Å; K632-S636 VanDerWaalsContact O-CB 3.32Å; K632-S636 WeakPolarHBondContact O-CB 3.49Å; K632-S636 PolarHBondContact O-N 3.33Å; K632-S636 PolarHBondContact O-OG 3.01Å
633	E	90	Very high	86.1	Confident	74 Å²	74	43.3 Å²	43.3	35%	0.346	26%	0.257	S	S	.	.	H	α-helix	trans	-63.8	-51.3	175.3	-69.6	161.2	174.7	0	0	110.2	K629 E630 F635 S636 D637	K629-E633 WeakPolarHBondContact CE-OE1 3.28Å; K629-E633 WeakPolarHBondContact CG-OE1 3.45Å; K629-E633 VanDerWaalsContact NZ-CD 3.33Å; K629-E633 IonicContact NZ-OE1 2.67Å; K629-E633 PolarHBondContact NZ-OE1 3.45Å; K629-E633 IonicContact NZ-OE2 3.22Å; K629-E633 PolarHBondContact NZ-OE2 3.27Å; K629-E633 PolarHBondContact O-N 3.5Å; K629-E633 VanDerWaalsContact O-N 3.1Å; E630-E633 WeakPolarHBondContact CA-OE2 3.49Å; E630-E633 WeakPolarHBondContact O-CB 3.47Å; E630-E633 PolarHBondContact O-N 3.23Å; E630-E633 VanDerWaalsContact O-N 3.1Å; E633-F635 PolarHBondContact O-N 3.42Å; E633-S636 PolarHBondContact O-N 2.81Å; E633-S636 PolarHBondContact O-OG 3.39Å; E633-D637 PolarHBondContact O-N 2.96Å
634	Y	91.3	Very high	87.2	Confident	8 Å²	8	49.5 Å²	49.5	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-42.7	175.8	-52.9	-24.4	0	0	0	112.6	T582 P583 K586 S626 E630 S636 D637 M638 H641	T582-Y634 HydrophobicContact CG2-CD2 3.8Å; T582-Y634 HydrophobicContact CG2-CE2 3.76Å; P583-Y634 HydrophobicContact CG-CE1 4.13Å; K586-Y634 WeakPolarHBondContact CE-OH 3.12Å; K586-Y634 PolarHBondContact NZ-OH 3.35Å; S626-Y634 WeakPolarHBondContact OG-CE2 3.21Å; S626-Y634 PolarHBondContact OG-OH 3.5Å; E630-Y634 HydrophobicContact CB-CE1 4.22Å; E630-Y634 HydrophobicContact CB-CE2 4.19Å; E630-Y634 WeakPolarHBondContact O-CD1 3.39Å; E630-Y634 WeakPolarHBondContact O-CD2 3.35Å; E630-Y634 PolarHBondContact O-N 2.85Å; Y634-S636 VanDerWaalsContact C-N 3.29Å; Y634-S636 PolarHBondContact O-N 2.99Å; Y634-D637 CarbonylContact O-C 3.54Å; Y634-M638 PolarHBondContact O-N 3.03Å; Y634-H641 AromaticContact CD1-CD2 3.9Å; Y634-H641 AromaticContact CD1-CE1 3.98Å; Y634-H641 AromaticContact CD1-NE2 3.2Å; Y634-H641 WeakPolarHBondContact CD1-NE2 3.44Å; Y634-H641 AromaticContact CE1-NE2 3.98Å; Y634-H641 AromaticContact CG-CD2 3.85Å; Y634-H641 AromaticContact CG-NE2 3.63Å
635	F	90.3	Very high	88.4	Confident	3 Å²	3	47 Å²	47	1%	0.013	25%	0.254	C	S	.	.	H	α-helix	trans	-75.2	-15.9	177.5	-85.2	-108.6	0	0	0	113.7	I465 A476 G479 V482 V483 M546 F580 A631 E633 M638	I465-F635 HydrophobicContact CD1-CE1 3.9Å; I465-F635 HydrophobicContact CD1-CZ 3.96Å; A476-F635 HydrophobicContact CB-CZ 4.4Å; G479-F635 VanDerWaalsContact CA-CG 3.45Å; V482-F635 HydrophobicContact CB-CB 4.26Å; V483-F635 HydrophobicContact CG1-CB 4.35Å; V483-F635 HydrophobicContact CG1-CD1 3.9Å; V483-F635 HydrophobicContact CG2-CD1 3.84Å; V483-F635 HydrophobicContact CG2-CE1 4.24Å; M546-F635 HydrophobicContact CE-CE2 4.06Å; M546-F635 HydrophobicContact CE-CZ 4.43Å; M546-F635 HydrophobicContact SD-CE2 4.43Å; M546-F635 HydrophobicContact SD-CZ 4.24Å; F580-F635 HydrophobicContact CE1-CE2 4.14Å; F580-F635 AromaticContact CE2-CD2 3.92Å; F580-F635 HydrophobicContact CE2-CD2 3.92Å; F580-F635 AromaticContact CE2-CE2 3.76Å; F580-F635 HydrophobicContact CE2-CE2 3.76Å; F580-F635 HydrophobicContact CE2-CG 4.4Å; F580-F635 HydrophobicContact CE2-CZ 4.08Å; F580-F635 AromaticContact CZ-CD2 3.62Å; F580-F635 HydrophobicContact CZ-CD2 3.62Å; F580-F635 AromaticContact CZ-CE2 3.5Å; F580-F635 HydrophobicContact CZ-CE2 3.5Å; F580-F635 HydrophobicContact CZ-CG 4.46Å; F580-F635 HydrophobicContact CZ-CZ 4.26Å; A631-F635 WeakPolarHBondContact O-CB 3.27Å; A631-F635 VanDerWaalsContact O-CD2 3.22Å; A631-F635 WeakPolarHBondContact O-CD2 3.5Å; A631-F635 PolarHBondContact O-N 2.95Å; A631-F635 VanDerWaalsContact O-N 3.08Å; E633-F635 PolarHBondContact O-N 3.42Å; F635-M638 HydrophobicContact CB-CE 4.43Å; F635-M638 HydrophobicContact CD1-CE 3.62Å; F635-M638 HydrophobicContact CE1-CE 4.04Å; F635-M638 HydrophobicContact CG-CE 4.06Å
636	S	91.1	Very high	89.4	Confident	85 Å²	85	49.1 Å²	49.1	59%	0.594	26%	0.255	S	S	*	.	H	α-helix	trans	-81.2	-42.8	170.2	74.8	0	0	0	0	111.8	K632 E633 Y634 M638	K632-S636 VanDerWaalsContact O-CB 3.32Å; K632-S636 WeakPolarHBondContact O-CB 3.49Å; K632-S636 PolarHBondContact O-N 3.33Å; K632-S636 PolarHBondContact O-OG 3.01Å; E633-S636 PolarHBondContact O-N 2.81Å; E633-S636 PolarHBondContact O-OG 3.39Å; Y634-S636 VanDerWaalsContact C-N 3.29Å; Y634-S636 PolarHBondContact O-N 2.99Å; S636-M638 PolarHBondContact O-N 3.43Å; S636-M638 VanDerWaalsContact O-N 3.17Å
637	D	89.3	Confident	89.8	Confident	77 Å²	77	51 Å²	51	41%	0.412	26%	0.261	S	S	.	.			trans	-89.4	57.3	167.3	-170.5	6.5	0	0	0	111.8	E633 Y634 G639 R640 H641	E633-D637 PolarHBondContact O-N 2.96Å; Y634-D637 CarbonylContact O-C 3.54Å; D637-G639 PolarHBondContact O-N 3.22Å; D637-G639 PolarHBondContact OD1-N 2.92Å; D637-R640 PolarHBondContact O-N 2.79Å; D637-R640 PolarHBondContact OD1-N 3.32Å; D637-R640 WeakPolarHBondContact OD2-CB 3.36Å; D637-H641 PolarHBondContact O-N 3.26Å; D637-H641 PolarHBondContact O-ND1 3.34Å
638	M	86.5	Confident	90	Very high	31 Å²	31	52.3 Å²	52.3	15%	0.153	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-2.2	168.5	-171.5	57.3	64.8	0	0	112.7	V483 M544 F580 Y634 F635 S636 R642	V483-M638 HydrophobicContact CG1-CE 4.2Å; M544-M638 HydrophobicContact CE-SD 4.1Å; F580-M638 HydrophobicContact CD2-CE 4.22Å; F580-M638 HydrophobicContact CD2-SD 4.29Å; F580-M638 HydrophobicContact CE2-CE 3.72Å; F580-M638 HydrophobicContact CE2-SD 4.18Å; Y634-M638 PolarHBondContact O-N 3.03Å; F635-M638 HydrophobicContact CB-CE 4.43Å; F635-M638 HydrophobicContact CD1-CE 3.62Å; F635-M638 HydrophobicContact CE1-CE 4.04Å; F635-M638 HydrophobicContact CG-CE 4.06Å; S636-M638 PolarHBondContact O-N 3.43Å; S636-M638 VanDerWaalsContact O-N 3.17Å; M638-R642 VanDerWaalsContact CG-NH2 3.29Å; M638-R642 WeakPolarHBondContact O-CB 3.41Å; M638-R642 HydrophobicContact SD-CB 4.12Å; M638-R642 PolarHBondContact SD-NE 2.87Å; M638-R642 VanDerWaalsContact SD-NE 3.43Å; M638-R642 PolarHBondContact SD-NH2 2.87Å
639	G	86.8	Confident	90.2	Very high	51 Å²	51	50.4 Å²	50.4	53%	0.526	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-53.5	174	0	0	0	0	0	112.1	D637	D637-G639 PolarHBondContact O-N 3.22Å; D637-G639 PolarHBondContact OD1-N 2.92Å
640	R	87.4	Confident	90.3	Very high	40 Å²	40	50 Å²	50	15%	0.151	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-37.9	175.3	178.8	56.6	168.5	154.6	-8	112.7	F597 E601 D637 Q694 E695	F597-R640 HydrophobicContact CE1-CG 4.26Å; F597-R640 HydrophobicContact CE2-CG 3.88Å; F597-R640 HydrophobicContact CZ-CG 3.64Å; E601-R640 IonicContact OE1-NH2 2.73Å; E601-R640 IonicContact OE2-NH2 2.65Å; D637-R640 PolarHBondContact O-N 2.79Å; D637-R640 PolarHBondContact OD1-N 3.32Å; D637-R640 WeakPolarHBondContact OD2-CB 3.36Å; R640-Q694 PolarHBondContact NH1-O 3.3Å; R640-E695 PolarHBondContact NH1-O 2.86Å
641	H	90.8	Very high	90.4	Very high	11 Å²	11	53.5 Å²	53.5	5%	0.051	27%	0.274	C	S	.	.	S	Bend	trans	-82.3	-12.1	-170.9	-63.4	73	0	0	0	113.9	F580 I581 F597 Y634 D637	F580-H641 CarbonylContact C-O 3.22Å; F580-H641 VanDerWaalsContact CA-O 3.31Å; F580-H641 WeakPolarHBondContact CA-O 3.41Å; F580-H641 HydrophobicContact CD2-CB 4.36Å; F580-H641 HydrophobicContact CE1-CB 4.42Å; F580-H641 HydrophobicContact CE2-CB 3.93Å; F580-H641 HydrophobicContact CZ-CB 3.98Å; I581-H641 PolarHBondContact N-O 2.85Å; I581-H641 PolarHBondContact O-CD2 2.8Å; F597-H641 AromaticContact CZ-CE1 3.97Å; F597-H641 AromaticContact CZ-NE2 3.7Å; Y634-H641 AromaticContact CD1-CD2 3.9Å; Y634-H641 AromaticContact CD1-CE1 3.98Å; Y634-H641 AromaticContact CD1-NE2 3.2Å; Y634-H641 WeakPolarHBondContact CD1-NE2 3.44Å; Y634-H641 AromaticContact CE1-NE2 3.98Å; Y634-H641 AromaticContact CG-CD2 3.85Å; Y634-H641 AromaticContact CG-NE2 3.63Å; D637-H641 PolarHBondContact O-N 3.26Å; D637-H641 PolarHBondContact O-ND1 3.34Å
642	R	91.9	Very high	90.7	Very high	35 Å²	35	53.7 Å²	53.7	13%	0.132	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	107	-177.6	-175.9	-172.4	-60.6	-124.9	-0.6	112.3	M544 E578 E579 M638	M544-R642 HydrophobicContact CE-CB 4.34Å; M544-R642 HydrophobicContact CE-CG 3.75Å; E578-R642 HydrophobicContact CB-CG 4.49Å; E578-R642 WeakPolarHBondContact OE2-CD 3.44Å; E578-R642 IonicContact OE2-CZ 3.55Å; E578-R642 IonicContact OE2-NE 2.73Å; E578-R642 IonicContact OE2-NH1 2.7Å; E578-R642 PolarHBondContact OE2-NH1 2.88Å; E579-R642 WeakPolarHBondContact O-CA 3.28Å; M638-R642 VanDerWaalsContact CG-NH2 3.29Å; M638-R642 WeakPolarHBondContact O-CB 3.41Å; M638-R642 HydrophobicContact SD-CB 4.12Å; M638-R642 PolarHBondContact SD-NE 2.87Å; M638-R642 VanDerWaalsContact SD-NE 3.43Å; M638-R642 PolarHBondContact SD-NH2 2.87Å
643	I	92.6	Very high	90.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	144.7	169.3	-50.2	-56	0	0	0	109.5	E578 E579 I581 Y693 T697 V700	E578-I643 WeakPolarHBondContact CA-O 3.47Å; E579-I643 HydrophobicContact CB-CB 4.2Å; E579-I643 PolarHBondContact N-O 2.88Å; E579-I643 PolarHBondContact O-N 2.91Å; E579-I643 VanDerWaalsContact O-N 3.14Å; I581-I643 HydrophobicContact CD1-CD1 3.87Å; I581-I643 HydrophobicContact CD1-CG1 3.86Å; I581-I643 HydrophobicContact CG1-CG1 4.14Å; I581-I643 HydrophobicContact CG2-CG1 3.94Å; I643-Y693 HydrophobicContact CD1-CD1 4.49Å; I643-Y693 HydrophobicContact CG1-CD1 4.12Å; I643-Y693 HydrophobicContact CG1-CE1 3.94Å; I643-Y693 HydrophobicContact CG2-CE1 4.47Å; I643-T697 HydrophobicContact CD1-CG2 4.37Å; I643-T697 WeakPolarHBondContact CD1-O 3.46Å; I643-V700 HydrophobicContact CG2-CB 4.08Å; I643-V700 HydrophobicContact CG2-CG2 3.7Å
644	R	93.5	Very high	90.9	Very high	130 Å²	130	51.3 Å²	51.3	49%	0.491	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.1	176.4	-56.1	-172.4	-177	136.5	12.1	110.8	E578 T698 V699 V700	E578-R644 HydrophobicContact CG-CG 4.15Å; E578-R644 WeakPolarHBondContact OE1-CD 3.43Å; E578-R644 WeakPolarHBondContact OE1-CG 3.24Å; E578-R644 IonicContact OE1-NE 2.66Å; E578-R644 PolarHBondContact OE1-NE 3.23Å; R644-T698 PolarHBondContact N-O 3.45Å; R644-T698 VanDerWaalsContact N-O 3.09Å; R644-V699 VanDerWaalsContact O-CA 3.32Å; R644-V699 WeakPolarHBondContact O-CA 3.47Å; R644-V700 PolarHBondContact O-N 3.12Å
645	F	93.9	Very high	91	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.1	168.8	-68.2	-83.9	0	0	0	110.3	I561 N575 V577 E579 V700 Y702 F705	I561-F645 HydrophobicContact CD1-CD1 4.42Å; I561-F645 HydrophobicContact CD1-CE1 3.91Å; I561-F645 HydrophobicContact CD1-CE2 4.2Å; I561-F645 HydrophobicContact CD1-CZ 3.8Å; N575-F645 PolarHBondContact OD1-O 2.99Å; V577-F645 HydrophobicContact CB-CD2 4.09Å; V577-F645 HydrophobicContact CG1-CD2 3.75Å; V577-F645 HydrophobicContact CG1-CE2 4.1Å; V577-F645 PolarHBondContact O-N 2.78Å; E579-F645 HydrophobicContact CB-CE2 4.11Å; F645-V700 CarbonylContact C-O 3.44Å; F645-V700 WeakPolarHBondContact CA-O 3.25Å; F645-V700 HydrophobicContact CD1-CG1 4.32Å; F645-V700 HydrophobicContact CE1-CG1 4.15Å; F645-Y702 HydrophobicContact CB-CD1 4.26Å; F645-Y702 HydrophobicContact CB-CE1 3.57Å; F645-Y702 HydrophobicContact CB-CE2 4Å; F645-Y702 VanDerWaalsContact CB-CZ 3.44Å; F645-Y702 AromaticContact CD1-CD1 3.82Å; F645-Y702 HydrophobicContact CD1-CD1 3.82Å; F645-Y702 AromaticContact CD1-CE1 3.87Å; F645-Y702 HydrophobicContact CD1-CE1 3.87Å; F645-Y702 HydrophobicContact CD1-CG 4.46Å; F645-Y702 HydrophobicContact CG-CD1 4.22Å; F645-Y702 AromaticContact CG-CE1 3.77Å; F645-Y702 HydrophobicContact CG-CE1 3.77Å; F645-F705 HydrophobicContact CE1-CB 3.88Å; F645-F705 HydrophobicContact CE1-CD2 4.1Å; F645-F705 AromaticContact CE1-CG 3.95Å; F645-F705 HydrophobicContact CE1-CG 3.95Å; F645-F705 HydrophobicContact CZ-CD2 4.24Å; F645-F705 HydrophobicContact CZ-CG 4.5Å
646	R	92.5	Very high	91.2	Very high	109 Å²	109	51.1 Å²	51.1	41%	0.411	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.6	171	-177.9	-177.2	86.5	-141	1.9	108.9	D648 V699 V700 T701	R646-D648 IonicContact CZ-OD1 3.86Å; R646-D648 IonicContact CZ-OD2 2.61Å; R646-D648 IonicContact NE-OD1 2.67Å; R646-D648 PolarHBondContact NE-OD1 3.02Å; R646-D648 IonicContact NE-OD2 2.65Å; R646-D648 IonicContact NH2-OD1 2.81Å; R646-D648 PolarHBondContact NH2-OD1 2.87Å; R646-D648 VanDerWaalsContact NH2-OD1 3.13Å; R646-D648 IonicContact NH2-OD2 2.73Å; R646-D648 PolarHBondContact NH2-OD2 2.86Å; R646-V699 HydrophobicContact CB-CG1 3.67Å; R646-V700 PolarHBondContact N-O 3.12Å; R646-T701 WeakPolarHBondContact O-CA 3.31Å
647	Y	92.1	Very high	91.2	Very high	51 Å²	51	50.2 Å²	50.2	20%	0.2	25%	0.251	C	S	.	.			trans	-76.3	125.3	168.3	176.6	-101.1	0	0	0	110.8	I572 R573 G649 D652 D653	I572-Y647 HydrophobicContact CG2-CD2 3.82Å; I572-Y647 HydrophobicContact CG2-CG 4.36Å; R573-Y647 HydrophobicContact CB-CD1 4.15Å; R573-Y647 HydrophobicContact CB-CG 4.41Å; R573-Y647 HydrophobicContact CG-CD1 3.69Å; R573-Y647 HydrophobicContact CG-CD2 4.2Å; R573-Y647 HydrophobicContact CG-CE1 3.8Å; R573-Y647 HydrophobicContact CG-CE2 4.31Å; R573-Y647 HydrophobicContact CG-CG 3.88Å; R573-Y647 PolarHBondContact NE-OH 3.24Å; R573-Y647 PolarHBondContact NH2-OH 2.9Å; Y647-G649 VanDerWaalsContact CE2-O 3.28Å; Y647-G649 WeakPolarHBondContact CE2-O 3.14Å; Y647-G649 VanDerWaalsContact CZ-CA 3.47Å; Y647-G649 VanDerWaalsContact OH-C 3.27Å; Y647-G649 PolarHBondContact OH-O 3.15Å; Y647-D652 WeakPolarHBondContact CA-OD2 3.18Å; Y647-D652 HydrophobicContact CD2-CB 3.98Å; Y647-D652 HydrophobicContact CE2-CB 4.08Å; Y647-D653 VanDerWaalsContact CE2-OD1 3.3Å; Y647-D653 WeakPolarHBondContact CE2-OD1 3.48Å; Y647-D653 PolarHBondContact OH-OD2 2.87Å
648	D	89.8	Confident	91.4	Very high	101 Å²	101	48 Å²	48	54%	0.54	24%	0.239	S	C	.	.			trans	-117.4	15.2	-175.5	-127.9	24.4	0	0	0	113.7	R646 D652 T701	R646-D648 IonicContact CZ-OD1 3.86Å; R646-D648 IonicContact CZ-OD2 2.61Å; R646-D648 IonicContact NE-OD1 2.67Å; R646-D648 PolarHBondContact NE-OD1 3.02Å; R646-D648 IonicContact NE-OD2 2.65Å; R646-D648 IonicContact NH2-OD1 2.81Å; R646-D648 PolarHBondContact NH2-OD1 2.87Å; R646-D648 VanDerWaalsContact NH2-OD1 3.13Å; R646-D648 IonicContact NH2-OD2 2.73Å; R646-D648 PolarHBondContact NH2-OD2 2.86Å; D648-D652 PolarHBondContact N-OD2 2.86Å; D648-T701 HydrophobicContact CB-CG2 3.9Å
649	G	90	Very high	91.6	Very high	21 Å²	21	47 Å²	47	22%	0.216	24%	0.236	C	C	.	.	S	Bend	trans	113.9	-163.9	171.2	0	0	0	0	0	114.6	Y647 D651 D652	Y647-G649 VanDerWaalsContact CE2-O 3.28Å; Y647-G649 WeakPolarHBondContact CE2-O 3.14Å; Y647-G649 VanDerWaalsContact CZ-CA 3.47Å; Y647-G649 VanDerWaalsContact OH-C 3.27Å; Y647-G649 PolarHBondContact OH-O 3.15Å; G649-D651 PolarHBondContact O-N 2.82Å; G649-D652 WeakPolarHBondContact O-CB 3.29Å; G649-D652 PolarHBondContact O-N 2.99Å
650	N	90.6	Very high	91.8	Very high	105 Å²	105	45 Å²	45	56%	0.561	21%	0.213	S	C	*	.	H	α-helix	trans	-62.2	-17.3	-168.7	-168.1	42.5	0	0	0	114.3	K654	N650-K654 VanDerWaalsContact O-CG 3.28Å; N650-K654 WeakPolarHBondContact O-CG 3.21Å; N650-K654 PolarHBondContact O-N 3Å
651	D	91.8	Very high	91.9	Very high	90 Å²	90	43.5 Å²	43.5	48%	0.481	21%	0.208	S	C	.	.	H	α-helix	trans	-79.6	-23.5	177.1	-63	-31.6	0	0	0	112.7	G649 K654 A655 K703	G649-D651 PolarHBondContact O-N 2.82Å; D651-K654 WeakPolarHBondContact OD1-CE 3.22Å; D651-K654 IonicContact OD1-NZ 3.63Å; D651-K654 PolarHBondContact OD1-NZ 3.31Å; D651-A655 WeakPolarHBondContact O-CB 3.37Å; D651-A655 PolarHBondContact O-N 3.42Å; D651-K703 HydrophobicContact CB-CD 4.37Å
652	D	92.8	Very high	91.7	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-68.4	-47.1	165.7	-80.1	-14.9	0	0	0	110.7	Y647 D648 G649 K654 A655 L656 Y702 K703	Y647-D652 WeakPolarHBondContact CA-OD2 3.18Å; Y647-D652 HydrophobicContact CD2-CB 3.98Å; Y647-D652 HydrophobicContact CE2-CB 4.08Å; D648-D652 PolarHBondContact N-OD2 2.86Å; G649-D652 WeakPolarHBondContact O-CB 3.29Å; G649-D652 PolarHBondContact O-N 2.99Å; D652-K654 VanDerWaalsContact C-N 3.32Å; D652-K654 PolarHBondContact O-N 3.03Å; D652-A655 PolarHBondContact O-N 3.48Å; D652-L656 WeakPolarHBondContact O-CG 3.43Å; D652-L656 PolarHBondContact O-N 2.87Å; D652-L656 VanDerWaalsContact O-N 3.07Å; D652-Y702 HydrophobicContact CB-CD2 4.33Å; D652-Y702 PolarHBondContact OD1-N 3.14Å; D652-K703 VanDerWaalsContact OD1-CB 3.24Å; D652-K703 WeakPolarHBondContact OD1-CB 3.46Å; D652-K703 PolarHBondContact OD1-N 2.87Å
653	D	92.2	Very high	91.5	Very high	17 Å²	17	56.9 Å²	56.9	9%	0.091	27%	0.267	C	S	.	.	H	α-helix	trans	-56.9	-47.3	177.3	-76.4	-10.4	0	0	0	109.7	H565 R573 Y647 L656 E657	H565-D653 PolarHBondContact CE1-O 2.63Å; H565-D653 IonicContact NE2-OD1 2.73Å; H565-D653 PolarHBondContact NE2-OD1 3.26Å; R573-D653 IonicContact CZ-OD2 2.94Å; R573-D653 IonicContact NH2-OD2 2.71Å; R573-D653 PolarHBondContact NH2-OD2 3.36Å; Y647-D653 VanDerWaalsContact CE2-OD1 3.3Å; Y647-D653 WeakPolarHBondContact CE2-OD1 3.48Å; Y647-D653 PolarHBondContact OH-OD2 2.87Å; D653-L656 PolarHBondContact O-N 3.37Å; D653-E657 VanDerWaalsContact O-CG 3.22Å; D653-E657 WeakPolarHBondContact O-CG 3.25Å; D653-E657 PolarHBondContact O-N 3Å
654	K	92.5	Very high	91.4	Very high	107 Å²	107	59.5 Å²	59.5	47%	0.465	28%	0.28	S	S	.	.	H	α-helix	trans	-59.9	-45.4	174.3	-72.6	172.4	-160.9	164.6	0	113.6	N650 D651 D652 L656 E657 L658	N650-K654 VanDerWaalsContact O-CG 3.28Å; N650-K654 WeakPolarHBondContact O-CG 3.21Å; N650-K654 PolarHBondContact O-N 3Å; D651-K654 WeakPolarHBondContact OD1-CE 3.22Å; D651-K654 IonicContact OD1-NZ 3.63Å; D651-K654 PolarHBondContact OD1-NZ 3.31Å; D652-K654 VanDerWaalsContact C-N 3.32Å; D652-K654 PolarHBondContact O-N 3.03Å; K654-L656 VanDerWaalsContact C-N 3.27Å; K654-L656 PolarHBondContact O-N 3.14Å; K654-E657 PolarHBondContact O-N 2.88Å; K654-E657 VanDerWaalsContact O-N 3.1Å; K654-L658 WeakPolarHBondContact O-CB 3.46Å; K654-L658 PolarHBondContact O-N 2.95Å
655	A	93.5	Very high	91.1	Very high	7 Å²	7	55.4 Å²	55.4	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-39	-178.3	0	0	0	0	0	111.3	D651 D652 L658 A659 K703 V706	D651-A655 WeakPolarHBondContact O-CB 3.37Å; D651-A655 PolarHBondContact O-N 3.42Å; D652-A655 PolarHBondContact O-N 3.48Å; A655-L658 PolarHBondContact O-N 3.21Å; A655-A659 WeakPolarHBondContact O-CB 3.39Å; A655-A659 PolarHBondContact O-N 3.42Å; A655-K703 HydrophobicContact CB-CB 4.14Å; A655-K703 HydrophobicContact CB-CG 4.2Å; A655-V706 HydrophobicContact CB-CB 4.09Å; A655-V706 HydrophobicContact CB-CG1 4.16Å; A655-V706 HydrophobicContact CB-CG2 4.16Å
656	L	92.9	Very high	90.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-70.7	-30.2	173.8	-64.6	175.3	0	0	0	113	I561 H565 I572 D652 D653 K654 F660 Y702 V706	I561-L656 HydrophobicContact CG2-CD1 3.73Å; I561-L656 HydrophobicContact CG2-CD2 3.59Å; I561-L656 HydrophobicContact CG2-CG 4.34Å; H565-L656 HydrophobicContact CB-CD1 4.22Å; H565-L656 VanDerWaalsContact ND1-CB 3.32Å; H565-L656 WeakPolarHBondContact ND1-CB 3.39Å; I572-L656 HydrophobicContact CD1-CD1 4.05Å; D652-L656 WeakPolarHBondContact O-CG 3.43Å; D652-L656 PolarHBondContact O-N 2.87Å; D652-L656 VanDerWaalsContact O-N 3.07Å; D653-L656 PolarHBondContact O-N 3.37Å; K654-L656 VanDerWaalsContact C-N 3.27Å; K654-L656 PolarHBondContact O-N 3.14Å; L656-F660 WeakPolarHBondContact O-CD2 3.41Å; L656-F660 PolarHBondContact O-N 3.1Å; L656-Y702 HydrophobicContact CD1-CD1 4.37Å; L656-Y702 HydrophobicContact CD1-CG 4.33Å; L656-V706 HydrophobicContact CD2-CG2 4.01Å
657	E	92.1	Very high	90.8	Very high	66 Å²	66	59.6 Å²	59.6	31%	0.308	30%	0.3	S	S	.	.	H	α-helix	trans	-69.6	-46.2	170.4	-58.3	-128.2	133.3	0	0	111.5	R501 D653 K654 A659 F660 S661 M664	R501-E657 IonicContact CZ-OE1 3.12Å; R501-E657 IonicContact NH1-OE1 2.68Å; R501-E657 PolarHBondContact NH1-OE1 3Å; R501-E657 IonicContact NH2-OE1 3.31Å; R501-E657 PolarHBondContact NH2-OE1 3.48Å; D653-E657 VanDerWaalsContact O-CG 3.22Å; D653-E657 WeakPolarHBondContact O-CG 3.25Å; D653-E657 PolarHBondContact O-N 3Å; K654-E657 PolarHBondContact O-N 2.88Å; K654-E657 VanDerWaalsContact O-N 3.1Å; E657-A659 VanDerWaalsContact C-N 3.31Å; E657-A659 PolarHBondContact O-N 3.25Å; E657-F660 PolarHBondContact O-N 3.13Å; E657-S661 WeakPolarHBondContact O-CB 3.47Å; E657-S661 PolarHBondContact O-N 2.87Å; E657-M664 VanDerWaalsContact C-SD 3.51Å; E657-M664 HydrophobicContact CB-CE 3.89Å; E657-M664 HydrophobicContact CB-SD 3.69Å
658	L	92.8	Very high	90.8	Very high	31 Å²	31	58.5 Å²	58.5	16%	0.162	30%	0.296	C	S	.	.	H	α-helix	trans	-53.7	-47.4	177.6	174.2	63.6	0	0	0	111.1	K654 A655 M664 D667 R668 W671	K654-L658 WeakPolarHBondContact O-CB 3.46Å; K654-L658 PolarHBondContact O-N 2.95Å; A655-L658 PolarHBondContact O-N 3.21Å; L658-M664 HydrophobicContact CB-SD 4.44Å; L658-M664 HydrophobicContact CD1-CB 4.32Å; L658-M664 PolarHBondContact N-SD 2.87Å; L658-M664 VanDerWaalsContact N-SD 3.44Å; L658-D667 HydrophobicContact CD1-CB 3.61Å; L658-R668 HydrophobicContact CD1-CB 4.19Å; L658-R668 PolarHBondContact O-NE 3.24Å; L658-R668 PolarHBondContact O-NH2 2.76Å; L658-W671 HydrophobicContact CD2-CB 4.43Å; L658-W671 HydrophobicContact CD2-CD2 4.25Å; L658-W671 HydrophobicContact CD2-CG 4.03Å
659	A	91.3	Very high	90.8	Very high	9 Å²	9	56 Å²	56	7%	0.074	28%	0.28	C	S	.	.	H	α-helix	trans	-69.3	-31.3	-178.1	0	0	0	0	0	114.5	A655 E657 R668 V706 L710	A655-A659 WeakPolarHBondContact O-CB 3.39Å; A655-A659 PolarHBondContact O-N 3.42Å; E657-A659 VanDerWaalsContact C-N 3.31Å; E657-A659 PolarHBondContact O-N 3.25Å; A659-R668 VanDerWaalsContact C-CZ 3.49Å; A659-R668 PolarHBondContact O-NE 3.32Å; A659-R668 PolarHBondContact O-NH1 3.16Å; A659-R668 PolarHBondContact O-NH2 2.95Å; A659-V706 HydrophobicContact CB-CG1 4.31Å; A659-V706 HydrophobicContact CB-CG2 4.39Å; A659-L710 HydrophobicContact CB-CD2 3.73Å
660	F	91.3	Very high	90.9	Very high	10 Å²	10	59.2 Å²	59.2	4%	0.044	29%	0.292	C	S	.	.	H	α-helix	trans	-123.8	-9.8	-168.1	-66.6	-74.8	0	0	0	116.8	N499 G558 L559 N562 L656 E657 L710	N499-F660 PolarHBondContact ND2-O 2.99Å; G558-F660 WeakPolarHBondContact O-CE2 3.27Å; G558-F660 WeakPolarHBondContact O-CZ 3.33Å; L559-F660 HydrophobicContact CD2-CD1 4.14Å; L559-F660 HydrophobicContact CD2-CE1 3.75Å; L559-F660 HydrophobicContact CG-CE1 4.06Å; N562-F660 HydrophobicContact CB-CB 4.19Å; N562-F660 HydrophobicContact CB-CD1 4.25Å; N562-F660 HydrophobicContact CB-CD2 3.52Å; N562-F660 HydrophobicContact CB-CE2 3.94Å; N562-F660 HydrophobicContact CB-CG 3.7Å; N562-F660 HydrophobicContact CB-CZ 4.49Å; N562-F660 VanDerWaalsContact CG-CB 3.49Å; L656-F660 WeakPolarHBondContact O-CD2 3.41Å; L656-F660 PolarHBondContact O-N 3.1Å; E657-F660 PolarHBondContact O-N 3.13Å; F660-L710 HydrophobicContact CE2-CD2 3.69Å; F660-L710 HydrophobicContact CZ-CD1 4.47Å; F660-L710 HydrophobicContact CZ-CD2 3.67Å
661	S	90	Very high	91	Very high	9 Å²	9	55.6 Å²	55.6	6%	0.063	27%	0.271	C	S	.	.			trans	-83.7	135.2	177.2	-176.2	0	0	0	0	112.1	E657 K663 R668	E657-S661 WeakPolarHBondContact O-CB 3.47Å; E657-S661 PolarHBondContact O-N 2.87Å; S661-K663 PolarHBondContact O-N 3.45Å; S661-K663 WeakPolarHBondContact OG-CB 3.41Å; S661-K663 PolarHBondContact OG-N 3.19Å; S661-R668 PolarHBondContact O-NH2 2.92Å
662	K	85.2	Confident	91	Very high	133 Å²	133	51.3 Å²	51.3	58%	0.578	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-72.1	-13.6	168.5	-74.3	-173.8	-151.5	116.4	0	112.9	E502 M664 V665	E502-K662 VanDerWaalsContact CD-CG 3.43Å; E502-K662 HydrophobicContact CG-CD 4.47Å; E502-K662 HydrophobicContact CG-CG 3.98Å; E502-K662 PolarHBondContact O-NZ 3.43Å; E502-K662 WeakPolarHBondContact OE1-CB 2.99Å; E502-K662 PolarHBondContact OE1-N 2.97Å; E502-K662 WeakPolarHBondContact OE2-CD 3.35Å; E502-K662 VanDerWaalsContact OE2-CE 3.23Å; E502-K662 WeakPolarHBondContact OE2-CE 3.29Å; E502-K662 VanDerWaalsContact OE2-CG 3.27Å; E502-K662 WeakPolarHBondContact OE2-CG 3.11Å; E502-K662 IonicContact OE2-NZ 3.54Å; E502-K662 PolarHBondContact OE2-NZ 3.09Å; K662-M664 VanDerWaalsContact C-N 3.35Å; K662-V665 VanDerWaalsContact O-CG2 3.31Å; K662-V665 WeakPolarHBondContact O-CG2 3.34Å
663	K	88.4	Confident	90.8	Very high	194 Å²	194	53 Å²	53	84%	0.843	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-75.5	-25	177.6	-59.5	-177.8	-177.2	177.1	0	112.9	S661	S661-K663 PolarHBondContact O-N 3.45Å; S661-K663 WeakPolarHBondContact OG-CB 3.41Å; S661-K663 PolarHBondContact OG-N 3.19Å
664	M	89.6	Confident	90.7	Very high	54 Å²	54	58.7 Å²	58.7	27%	0.266	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-103.7	30.3	-176.7	-65.2	169.5	178	0	0	112.2	E657 L658 K662 D667 R668	E657-M664 VanDerWaalsContact C-SD 3.51Å; E657-M664 HydrophobicContact CB-CE 3.89Å; E657-M664 HydrophobicContact CB-SD 3.69Å; L658-M664 HydrophobicContact CB-SD 4.44Å; L658-M664 HydrophobicContact CD1-CB 4.32Å; L658-M664 PolarHBondContact N-SD 2.87Å; L658-M664 VanDerWaalsContact N-SD 3.44Å; K662-M664 VanDerWaalsContact C-N 3.35Å; M664-D667 VanDerWaalsContact CA-OD2 3.25Å; M664-D667 WeakPolarHBondContact CA-OD2 3.24Å; M664-D667 HydrophobicContact CB-CB 4.29Å; M664-D667 WeakPolarHBondContact CB-OD2 3.34Å; M664-R668 WeakPolarHBondContact O-CB 3.41Å; M664-R668 PolarHBondContact O-N 3.02Å
665	V	88.1	Confident	90.6	Very high	44 Å²	44	55.6 Å²	55.6	27%	0.267	27%	0.271	S	S	.	.	H	α-helix	trans	-66.9	-38.7	-178.5	162.6	0	0	0	0	111.8	K662 R668 K669 A866	K662-V665 VanDerWaalsContact O-CG2 3.31Å; K662-V665 WeakPolarHBondContact O-CG2 3.34Å; V665-R668 PolarHBondContact O-N 2.72Å; V665-K669 WeakPolarHBondContact O-CG 3.48Å; V665-K669 PolarHBondContact O-N 3.22Å; V665-A866 HydrophobicContact CG1-CB 4.34Å
666	D	88.8	Confident	90.3	Very high	108 Å²	108	55.6 Å²	55.6	58%	0.578	27%	0.27	S	S	*	.	H	α-helix	trans	-73.3	-38.4	177.2	-69.6	-36.4	0	0	0	111.6	R668 K669 D670	D666-R668 VanDerWaalsContact C-N 3.28Å; D666-R668 PolarHBondContact O-N 3.13Å; D666-K669 WeakPolarHBondContact O-CB 3.08Å; D666-K669 PolarHBondContact O-N 2.56Å; D666-K669 VanDerWaalsContact O-N 3.13Å; D666-K669 IonicContact OD1-NZ 3.6Å; D666-K669 PolarHBondContact OD1-NZ 3.15Å; D666-D670 PolarHBondContact O-N 3.1Å; D666-D670 VanDerWaalsContact O-N 3.13Å
667	D	91.1	Very high	90.1	Very high	91 Å²	91	59.3 Å²	59.3	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-59.8	-38.8	172.5	-48.5	-70.1	0	0	0	111.6	L658 M664 K669 D670 W671	L658-D667 HydrophobicContact CD1-CB 3.61Å; M664-D667 VanDerWaalsContact CA-OD2 3.25Å; M664-D667 WeakPolarHBondContact CA-OD2 3.24Å; M664-D667 HydrophobicContact CB-CB 4.29Å; M664-D667 WeakPolarHBondContact CB-OD2 3.34Å; D667-K669 VanDerWaalsContact C-N 3.35Å; D667-D670 PolarHBondContact O-N 3.14Å; D667-W671 WeakPolarHBondContact O-CB 3.46Å; D667-W671 PolarHBondContact O-N 2.83Å
668	R	92	Very high	89.8	Confident	28 Å²	28	61.3 Å²	61.3	11%	0.106	30%	0.297	C	S	.	.	H	α-helix	trans	-69.6	-29.2	177	-161.1	-176.5	-50	147.9	15.3	112.9	L658 A659 S661 M664 V665 D666 W671 L672 T865 A866	L658-R668 HydrophobicContact CD1-CB 4.19Å; L658-R668 PolarHBondContact O-NE 3.24Å; L658-R668 PolarHBondContact O-NH2 2.76Å; A659-R668 VanDerWaalsContact C-CZ 3.49Å; A659-R668 PolarHBondContact O-NE 3.32Å; A659-R668 PolarHBondContact O-NH1 3.16Å; A659-R668 PolarHBondContact O-NH2 2.95Å; S661-R668 PolarHBondContact O-NH2 2.92Å; M664-R668 WeakPolarHBondContact O-CB 3.41Å; M664-R668 PolarHBondContact O-N 3.02Å; V665-R668 PolarHBondContact O-N 2.72Å; D666-R668 VanDerWaalsContact C-N 3.28Å; D666-R668 PolarHBondContact O-N 3.13Å; R668-W671 HydrophobicContact CG-CE3 3.52Å; R668-W671 HydrophobicContact CG-CZ3 3.84Å; R668-L672 HydrophobicContact CG-CD1 4.46Å; R668-L672 WeakPolarHBondContact O-CB 3.47Å; R668-L672 WeakPolarHBondContact O-CG 3.31Å; R668-L672 PolarHBondContact O-N 3.18Å; R668-T865 VanDerWaalsContact CD-CG2 3.49Å; R668-T865 HydrophobicContact CG-CG2 4.49Å; R668-A866 HydrophobicContact CB-CB 3.96Å; R668-A866 HydrophobicContact CG-CB 4.17Å
669	K	90.6	Very high	89.3	Confident	49 Å²	49	62.6 Å²	62.6	21%	0.213	30%	0.3	C	S	.	.	H	α-helix	trans	-65.5	-49	170.7	-68	169.4	-165.3	156.8	0	110.3	V665 D666 D667 W671 L672 S673 A866 W867	V665-K669 WeakPolarHBondContact O-CG 3.48Å; V665-K669 PolarHBondContact O-N 3.22Å; D666-K669 WeakPolarHBondContact O-CB 3.08Å; D666-K669 PolarHBondContact O-N 2.56Å; D666-K669 VanDerWaalsContact O-N 3.13Å; D666-K669 IonicContact OD1-NZ 3.6Å; D666-K669 PolarHBondContact OD1-NZ 3.15Å; D667-K669 VanDerWaalsContact C-N 3.35Å; K669-W671 VanDerWaalsContact C-N 3.31Å; K669-W671 PolarHBondContact O-N 3.12Å; K669-L672 PolarHBondContact O-N 3Å; K669-S673 WeakPolarHBondContact O-CB 3.46Å; K669-S673 PolarHBondContact O-N 3.21Å; K669-S673 PolarHBondContact O-OG 3.42Å; K669-S673 VanDerWaalsContact O-OG 3.06Å; K669-A866 WeakPolarHBondContact CE-O 3.32Å; K669-A866 HydrophobicContact CG-CB 3.93Å; K669-W867 HydrophobicContact CB-CH2 4.38Å; K669-W867 HydrophobicContact CB-CZ2 3.66Å; K669-W867 HydrophobicContact CD-CD2 4.32Å; K669-W867 HydrophobicContact CD-CE3 4.38Å; K669-W867 HydrophobicContact CD-CH2 4.31Å; K669-W867 HydrophobicContact CD-CZ2 4.22Å; K669-W867 HydrophobicContact CD-CZ3 4.38Å; K669-W867 HydrophobicContact CG-CD2 4.02Å; K669-W867 HydrophobicContact CG-CG 4.46Å; K669-W867 HydrophobicContact CG-CH2 4.42Å; K669-W867 HydrophobicContact CG-CZ2 3.84Å
670	D	91.4	Very high	89	Confident	87 Å²	87	65.1 Å²	65.1	47%	0.465	31%	0.307	S	S	.	.	H	α-helix	trans	-64.2	-36.5	-179.5	-73.7	-5.5	0	0	0	111.3	D666 D667 Q674	D666-D670 PolarHBondContact O-N 3.1Å; D666-D670 VanDerWaalsContact O-N 3.13Å; D667-D670 PolarHBondContact O-N 3.14Å; D670-Q674 WeakPolarHBondContact O-CB 3.43Å; D670-Q674 VanDerWaalsContact O-CG 3.23Å; D670-Q674 WeakPolarHBondContact O-CG 3.47Å; D670-Q674 PolarHBondContact O-N 3.08Å; D670-Q674 PolarHBondContact O-NE2 3.27Å
671	W	92.4	Very high	88.7	Confident	29 Å²	29	68.9 Å²	68.9	11%	0.11	33%	0.328	C	S	.	.	H	α-helix	trans	-59.7	-52.4	171.2	176.3	71.9	0	0	0	112.5	L658 D667 R668 K669 Q674 W675 V706 D707 I711	L658-W671 HydrophobicContact CD2-CB 4.43Å; L658-W671 HydrophobicContact CD2-CD2 4.25Å; L658-W671 HydrophobicContact CD2-CG 4.03Å; D667-W671 WeakPolarHBondContact O-CB 3.46Å; D667-W671 PolarHBondContact O-N 2.83Å; R668-W671 HydrophobicContact CG-CE3 3.52Å; R668-W671 HydrophobicContact CG-CZ3 3.84Å; K669-W671 VanDerWaalsContact C-N 3.31Å; K669-W671 PolarHBondContact O-N 3.12Å; W671-Q674 PolarHBondContact O-N 3.19Å; W671-W675 PolarHBondContact O-N 2.9Å; W671-W675 VanDerWaalsContact O-N 3.13Å; W671-V706 HydrophobicContact CH2-CG1 4.14Å; W671-V706 HydrophobicContact CZ2-CG1 3.55Å; W671-V706 WeakPolarHBondContact CZ2-O 3.46Å; W671-D707 PolarHBondContact NE1-OD1 2.94Å; W671-I711 HydrophobicContact CD2-CD1 3.87Å; W671-I711 HydrophobicContact CD2-CG1 4.26Å; W671-I711 VanDerWaalsContact CE2-CD1 3.49Å; W671-I711 HydrophobicContact CE3-CD1 4.37Å; W671-I711 HydrophobicContact CE3-CG1 4.29Å; W671-I711 HydrophobicContact CG-CD1 4.35Å; W671-I711 HydrophobicContact CH2-CB 3.69Å; W671-I711 HydrophobicContact CH2-CD1 4.23Å; W671-I711 HydrophobicContact CH2-CG1 3.72Å; W671-I711 HydrophobicContact CZ2-CB 3.62Å; W671-I711 HydrophobicContact CZ2-CD1 3.7Å; W671-I711 HydrophobicContact CZ2-CG1 3.67Å; W671-I711 HydrophobicContact CZ3-CB 4.45Å; W671-I711 HydrophobicContact CZ3-CG1 4.03Å
672	L	91.5	Very high	88.3	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.2	-42.1	177.2	-74.5	168.2	0	0	0	112.6	R668 K669 Q674 W675 M676 I711 N715 T865	R668-L672 HydrophobicContact CG-CD1 4.46Å; R668-L672 WeakPolarHBondContact O-CB 3.47Å; R668-L672 WeakPolarHBondContact O-CG 3.31Å; R668-L672 PolarHBondContact O-N 3.18Å; K669-L672 PolarHBondContact O-N 3Å; L672-Q674 VanDerWaalsContact C-N 3.35Å; L672-Q674 PolarHBondContact O-N 2.73Å; L672-W675 PolarHBondContact O-N 3.34Å; L672-M676 HydrophobicContact CB-CE 4.24Å; L672-M676 VanDerWaalsContact O-CG 3.3Å; L672-M676 WeakPolarHBondContact O-CG 3.36Å; L672-M676 PolarHBondContact O-N 2.97Å; L672-I711 HydrophobicContact CD2-CG1 4.03Å; L672-N715 HydrophobicContact CD2-CB 4.46Å; L672-T865 HydrophobicContact CD1-CG2 4.24Å; L672-T865 VanDerWaalsContact CD1-O 3.3Å; L672-T865 WeakPolarHBondContact CD1-O 3.48Å
673	S	89.7	Confident	87.7	Confident	39 Å²	39	68 Å²	68	27%	0.273	32%	0.32	S	S	.	.	H	α-helix	trans	-66.9	-35.1	179.9	-65.5	0	0	0	0	112.5	K669 Q677	K669-S673 WeakPolarHBondContact O-CB 3.46Å; K669-S673 PolarHBondContact O-N 3.21Å; K669-S673 PolarHBondContact O-OG 3.42Å; K669-S673 VanDerWaalsContact O-OG 3.06Å; S673-Q677 WeakPolarHBondContact O-CB 3.34Å; S673-Q677 PolarHBondContact O-N 3.22Å; S673-Q677 VanDerWaalsContact O-N 3.1Å
674	Q	90.1	Very high	87.2	Confident	138 Å²	138	63.3 Å²	63.3	65%	0.645	31%	0.312	S	S	*	.	H	α-helix	trans	-64.5	-45.9	171.6	-78	166.9	72.3	0	0	111.2	D670 W671 L672 Q677 E678	D670-Q674 WeakPolarHBondContact O-CB 3.43Å; D670-Q674 VanDerWaalsContact O-CG 3.23Å; D670-Q674 WeakPolarHBondContact O-CG 3.47Å; D670-Q674 PolarHBondContact O-N 3.08Å; D670-Q674 PolarHBondContact O-NE2 3.27Å; W671-Q674 PolarHBondContact O-N 3.19Å; L672-Q674 VanDerWaalsContact C-N 3.35Å; L672-Q674 PolarHBondContact O-N 2.73Å; Q674-Q677 PolarHBondContact O-N 2.87Å; Q674-E678 PolarHBondContact O-N 2.96Å
675	W	89.7	Confident	86.8	Confident	41 Å²	41	63.3 Å²	63.3	16%	0.155	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-43.2	178.1	-177.4	90.6	0	0	0	112.9	W671 L672 Q677 E678 R679 I711 I712 N715	W671-W675 PolarHBondContact O-N 2.9Å; W671-W675 VanDerWaalsContact O-N 3.13Å; L672-W675 PolarHBondContact O-N 3.34Å; W675-Q677 VanDerWaalsContact C-N 3.32Å; W675-Q677 PolarHBondContact O-N 3.32Å; W675-E678 PolarHBondContact O-N 2.75Å; W675-R679 WeakPolarHBondContact O-CB 3.41Å; W675-R679 PolarHBondContact O-N 2.75Å; W675-I711 HydrophobicContact CB-CD1 3.52Å; W675-I711 HydrophobicContact CB-CG1 4.3Å; W675-I711 HydrophobicContact CD2-CD1 4.37Å; W675-I711 HydrophobicContact CD2-CG1 4.36Å; W675-I711 HydrophobicContact CG-CD1 3.55Å; W675-I711 HydrophobicContact CG-CG1 4.03Å; W675-I712 HydrophobicContact CZ2-CG1 4.19Å; W675-N715 HydrophobicContact CE3-CB 4.05Å; W675-N715 HydrophobicContact CH2-CB 4.1Å; W675-N715 HydrophobicContact CZ3-CB 3.54Å
676	M	88.3	Confident	86	Confident	7 Å²	7	66.4 Å²	66.4	3%	0.034	34%	0.336	C	S	.	.	H	α-helix	trans	-57.7	-45.6	173.7	-70.8	163.7	-172	0	0	111.2	L672 R679 R680 N715 F1010 L1016	L672-M676 HydrophobicContact CB-CE 4.24Å; L672-M676 VanDerWaalsContact O-CG 3.3Å; L672-M676 WeakPolarHBondContact O-CG 3.36Å; L672-M676 PolarHBondContact O-N 2.97Å; M676-R679 PolarHBondContact O-N 3.07Å; M676-R680 VanDerWaalsContact O-CB 3.28Å; M676-R680 WeakPolarHBondContact O-CB 3.14Å; M676-R680 PolarHBondContact O-N 3.03Å; M676-N715 WeakPolarHBondContact CE-OD1 3.37Å; M676-F1010 HydrophobicContact CE-CE1 4.3Å; M676-L1016 HydrophobicContact CE-CB 4.36Å; M676-L1016 HydrophobicContact CE-CD1 3.78Å; M676-L1016 HydrophobicContact CE-CG 3.82Å; M676-L1016 HydrophobicContact SD-CB 3.97Å; M676-L1016 HydrophobicContact SD-CD1 4.46Å; M676-L1016 HydrophobicContact SD-CG 4.04Å
677	Q	87	Confident	85.2	Confident	78 Å²	78	66.9 Å²	66.9	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-67.7	-35.1	178.6	-173.7	60	68.9	0	0	112.2	S673 Q674 W675 N681	S673-Q677 WeakPolarHBondContact O-CB 3.34Å; S673-Q677 PolarHBondContact O-N 3.22Å; S673-Q677 VanDerWaalsContact O-N 3.1Å; Q674-Q677 PolarHBondContact O-N 2.87Å; W675-Q677 VanDerWaalsContact C-N 3.32Å; W675-Q677 PolarHBondContact O-N 3.32Å; Q677-N681 PolarHBondContact NE2-OD1 2.94Å; Q677-N681 WeakPolarHBondContact O-CB 3.35Å; Q677-N681 PolarHBondContact O-N 2.94Å; Q677-N681 PolarHBondContact O-ND2 2.94Å; Q677-N681 PolarHBondContact O-OD1 3.14Å
678	E	86.3	Confident	84	Confident	109 Å²	109	67.2 Å²	67.2	51%	0.509	34%	0.342	S	S	.	.	H	α-helix	trans	-68.4	-48	174	-164.4	-178.1	161.8	0	0	111.5	Q674 W675 R680 N681 Q682	Q674-E678 PolarHBondContact O-N 2.96Å; W675-E678 PolarHBondContact O-N 2.75Å; E678-R680 VanDerWaalsContact C-N 3.31Å; E678-R680 PolarHBondContact O-N 2.86Å; E678-N681 CarbonylContact O-C 3.58Å; E678-N681 WeakPolarHBondContact O-CA 3.47Å; E678-N681 WeakPolarHBondContact O-CB 3.31Å; E678-N681 PolarHBondContact O-N 2.9Å; E678-Q682 HydrophobicContact CG-CG 4.44Å; E678-Q682 WeakPolarHBondContact O-CG 3.34Å; E678-Q682 PolarHBondContact O-N 3.14Å; E678-Q682 PolarHBondContact OE1-NE2 3.4Å
679	R	83.1	Confident	82.9	Confident	58 Å²	58	68.6 Å²	68.6	22%	0.219	35%	0.349	C	S	.	.	H	α-helix	trans	-54.2	-46.8	174.1	-171.8	-174	-166.7	-170.9	6.2	111.4	W675 M676 N681 Q682 R683 E689 E719	W675-R679 WeakPolarHBondContact O-CB 3.41Å; W675-R679 PolarHBondContact O-N 2.75Å; M676-R679 PolarHBondContact O-N 3.07Å; R679-N681 VanDerWaalsContact C-N 3.33Å; R679-N681 PolarHBondContact O-N 2.88Å; R679-Q682 PolarHBondContact O-N 3.33Å; R679-R683 WeakPolarHBondContact O-CB 3.43Å; R679-R683 PolarHBondContact O-N 2.85Å; R679-E689 IonicContact CZ-OE1 3.22Å; R679-E689 VanDerWaalsContact CZ-OE1 3.26Å; R679-E689 IonicContact CZ-OE2 3.6Å; R679-E689 IonicContact NE-OE1 2.67Å; R679-E689 PolarHBondContact NE-OE1 2.72Å; R679-E689 IonicContact NE-OE2 2.92Å; R679-E689 PolarHBondContact NE-OE2 2.94Å; R679-E689 IonicContact NH2-OE1 2.97Å; R679-E689 PolarHBondContact NH2-OE1 3.4Å; R679-E689 IonicContact NH2-OE2 2.64Å; R679-E689 PolarHBondContact NH2-OE2 2.9Å; R679-E719 IonicContact NH1-OE1 3.8Å; R679-E719 PolarHBondContact NH1-OE1 2.96Å
680	R	84	Confident	82	Confident	61 Å²	61	70.3 Å²	70.3	23%	0.23	36%	0.364	C	S	.	.	H	α-helix	trans	-57.8	-42.4	173.3	172.2	178.3	163.4	158	5.3	112.2	M676 E678 S684 E1013	M676-R680 VanDerWaalsContact O-CB 3.28Å; M676-R680 WeakPolarHBondContact O-CB 3.14Å; M676-R680 PolarHBondContact O-N 3.03Å; E678-R680 VanDerWaalsContact C-N 3.31Å; E678-R680 PolarHBondContact O-N 2.86Å; R680-S684 VanDerWaalsContact O-CB 3.25Å; R680-S684 WeakPolarHBondContact O-CB 3.36Å; R680-S684 PolarHBondContact O-N 2.81Å; R680-S684 PolarHBondContact O-OG 3.25Å; R680-E1013 IonicContact CZ-OE1 2.69Å; R680-E1013 VanDerWaalsContact CZ-OE1 3.29Å; R680-E1013 IonicContact CZ-OE2 3.69Å; R680-E1013 IonicContact NE-OE1 3.34Å; R680-E1013 VanDerWaalsContact NH1-CD 3.33Å; R680-E1013 IonicContact NH1-OE1 3.39Å; R680-E1013 IonicContact NH1-OE2 3.83Å; R680-E1013 PolarHBondContact NH1-OE2 3.29Å; R680-E1013 IonicContact NH2-OE1 3.03Å; R680-E1013 PolarHBondContact NH2-OE1 3.14Å; R680-E1013 IonicContact NH2-OE2 2.72Å; R680-E1013 PolarHBondContact NH2-OE2 3.32Å
681	N	85.5	Confident	81.2	Confident	89 Å²	89	69.2 Å²	69.2	48%	0.476	35%	0.354	S	S	.	.	H	α-helix	trans	-68.1	-39.1	176.9	-65.6	-17.5	0	0	0	112	Q677 E678 R679 S684 A685	Q677-N681 PolarHBondContact NE2-OD1 2.94Å; Q677-N681 WeakPolarHBondContact O-CB 3.35Å; Q677-N681 PolarHBondContact O-N 2.94Å; Q677-N681 PolarHBondContact O-ND2 2.94Å; Q677-N681 PolarHBondContact O-OD1 3.14Å; E678-N681 CarbonylContact O-C 3.58Å; E678-N681 WeakPolarHBondContact O-CA 3.47Å; E678-N681 WeakPolarHBondContact O-CB 3.31Å; E678-N681 PolarHBondContact O-N 2.9Å; R679-N681 VanDerWaalsContact C-N 3.33Å; R679-N681 PolarHBondContact O-N 2.88Å; N681-S684 PolarHBondContact O-N 3.27Å; N681-A685 WeakPolarHBondContact O-CB 3.22Å; N681-A685 PolarHBondContact O-N 3.36Å
682	Q	80.8	Confident	80.8	Confident	24 Å²	24	68.4 Å²	68.4	11%	0.112	35%	0.352	C	S	.	.	H	α-helix	trans	-66.1	-47.9	176.5	-69.4	174.7	8.9	0	0	111.2	E678 R679 S684 A685 N686 Q687	E678-Q682 HydrophobicContact CG-CG 4.44Å; E678-Q682 WeakPolarHBondContact O-CG 3.34Å; E678-Q682 PolarHBondContact O-N 3.14Å; E678-Q682 PolarHBondContact OE1-NE2 3.4Å; R679-Q682 PolarHBondContact O-N 3.33Å; Q682-S684 VanDerWaalsContact C-N 3.31Å; Q682-S684 PolarHBondContact O-N 3Å; Q682-A685 CarbonylContact O-C 3.59Å; Q682-A685 WeakPolarHBondContact O-CA 3.35Å; Q682-A685 PolarHBondContact O-N 2.82Å; Q682-N686 PolarHBondContact O-N 3.27Å; Q682-N686 VanDerWaalsContact O-N 3.1Å; Q682-Q687 HydrophobicContact CB-CB 4.29Å; Q682-Q687 PolarHBondContact O-N 3.33Å
683	R	73.6	Confident	80.3	Confident	99 Å²	99	69.4 Å²	69.4	37%	0.374	36%	0.356	S	S	.	.	H	α-helix	trans	-59.2	-40	173	-168	176.2	179.6	-150.2	-4.5	111.4	R679 A685 N686 E846 D1581	R679-R683 WeakPolarHBondContact O-CB 3.43Å; R679-R683 PolarHBondContact O-N 2.85Å; R683-A685 PolarHBondContact O-N 3.45Å; R683-N686 PolarHBondContact O-N 2.82Å; R683-N686 PolarHBondContact O-OD1 2.85Å; R683-E846 IonicContact CZ-OE1 3.7Å; R683-E846 IonicContact NH1-OE1 3.02Å; R683-E846 IonicContact NH1-OE2 2.67Å; R683-E846 IonicContact NH2-OE1 3.88Å; R683-E846 PolarHBondContact NH2-OE1 3.24Å; R683-D1581 VanDerWaalsContact CZ-CG 3.49Å; R683-D1581 IonicContact CZ-OD1 2.75Å; R683-D1581 IonicContact CZ-OD2 2.72Å; R683-D1581 IonicContact NE-OD1 3.52Å; R683-D1581 IonicContact NE-OD2 3.13Å; R683-D1581 IonicContact NH2-OD1 3.62Å; R683-D1581 PolarHBondContact NH2-OD1 3.49Å; R683-D1581 IonicContact NH2-OD2 3.69Å; R683-D1581 PolarHBondContact NH2-OD2 2.89Å
684	S	77.2	Confident	79.8	Confident	96 Å²	96	72.7 Å²	72.7	67%	0.671	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-9.1	174.3	-58.7	0	0	0	0	114.8	R680 N681 Q682	R680-S684 VanDerWaalsContact O-CB 3.25Å; R680-S684 WeakPolarHBondContact O-CB 3.36Å; R680-S684 PolarHBondContact O-N 2.81Å; R680-S684 PolarHBondContact O-OG 3.25Å; N681-S684 PolarHBondContact O-N 3.27Å; Q682-S684 VanDerWaalsContact C-N 3.31Å; Q682-S684 PolarHBondContact O-N 3Å
685	A	81.1	Confident	79.1	Confident	55 Å²	55	70.4 Å²	70.4	46%	0.455	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	5.3	-178.5	0	0	0	0	0	113.2	N681 Q682 R683 Q687	N681-A685 WeakPolarHBondContact O-CB 3.22Å; N681-A685 PolarHBondContact O-N 3.36Å; Q682-A685 CarbonylContact O-C 3.59Å; Q682-A685 WeakPolarHBondContact O-CA 3.35Å; Q682-A685 PolarHBondContact O-N 2.82Å; R683-A685 PolarHBondContact O-N 3.45Å; A685-Q687 VanDerWaalsContact C-N 3.27Å; A685-Q687 HydrophobicContact CB-CG 4.07Å; A685-Q687 PolarHBondContact O-N 3.04Å
686	N	72.9	Confident	78.6	Confident	109 Å²	109	75.2 Å²	75.2	58%	0.583	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	46.3	-171	-66.1	24.1	0	0	0	112.8	Q682 R683 G1583	Q682-N686 PolarHBondContact O-N 3.27Å; Q682-N686 VanDerWaalsContact O-N 3.1Å; R683-N686 PolarHBondContact O-N 2.82Å; R683-N686 PolarHBondContact O-OD1 2.85Å; N686-G1583 PolarHBondContact ND2-O 3.19Å
687	Q	71.3	Confident	78.5	Confident	118 Å²	118	75.9 Å²	75.9	55%	0.551	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-99.1	139.5	172.7	-64.9	-176.9	2	0	0	110.1	Q682 A685	Q682-Q687 HydrophobicContact CB-CB 4.29Å; Q682-Q687 PolarHBondContact O-N 3.33Å; A685-Q687 VanDerWaalsContact C-N 3.27Å; A685-Q687 HydrophobicContact CB-CG 4.07Å; A685-Q687 PolarHBondContact O-N 3.04Å
688	P	66.3	Low	78.5	Confident	97 Å²	97	75.8 Å²	75.8	63%	0.63	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-67.2	143.3	178.2	29.1	-35	0	0	0	110.8
689	E	68.2	Low	78.8	Confident	57 Å²	57	73.5 Å²	73.5	27%	0.266	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-64.2	149.8	179.6	-63.7	-166.5	-175.9	0	0	112.1	R679 F1578	R679-E689 IonicContact CZ-OE1 3.22Å; R679-E689 VanDerWaalsContact CZ-OE1 3.26Å; R679-E689 IonicContact CZ-OE2 3.6Å; R679-E689 IonicContact NE-OE1 2.67Å; R679-E689 PolarHBondContact NE-OE1 2.72Å; R679-E689 IonicContact NE-OE2 2.92Å; R679-E689 PolarHBondContact NE-OE2 2.94Å; R679-E689 IonicContact NH2-OE1 2.97Å; R679-E689 PolarHBondContact NH2-OE1 3.4Å; R679-E689 IonicContact NH2-OE2 2.64Å; R679-E689 PolarHBondContact NH2-OE2 2.9Å; E689-F1578 VanDerWaalsContact OE2-CE1 3.31Å; E689-F1578 WeakPolarHBondContact OE2-CE1 3.32Å
690	T	72.2	Confident	79.2	Confident	86 Å²	86	70.9 Å²	70.9	53%	0.528	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-80.6	123.7	-179	-65.5	0	0	0	0	111.4
691	Y	74.6	Confident	79.7	Confident	64 Å²	64	68.5 Å²	68.5	25%	0.251	37%	0.37	S	S	.	.			trans	-123.4	158.9	-179.3	63.8	-80	0	0	0	112.6	S598 P600 Y693 Q694	S598-Y691 WeakPolarHBondContact OG-CD2 3.35Å; S598-Y691 WeakPolarHBondContact OG-CE2 3.16Å; P600-Y691 HydrophobicContact CB-CD1 3.92Å; P600-Y691 HydrophobicContact CB-CE1 3.54Å; P600-Y691 HydrophobicContact CG-CD1 3.67Å; P600-Y691 HydrophobicContact CG-CE1 3.85Å; P600-Y691 HydrophobicContact CG-CG 4.33Å; Y691-Y693 VanDerWaalsContact CD2-O 3.31Å; Y691-Y693 WeakPolarHBondContact CD2-O 3.44Å; Y691-Y693 VanDerWaalsContact CE2-O 3.23Å; Y691-Y693 WeakPolarHBondContact CE2-O 3.47Å; Y691-Q694 HydrophobicContact CE2-CG 3.88Å
692	L	83.2	Confident	80.1	Confident	12 Å²	12	64.3 Å²	64.3	6%	0.063	35%	0.348	C	S	.	.	S	Bend	trans	-83.1	-50.9	-173.7	-177.2	64.7	0	0	0	114.1	Q694 T697 V700 E704 K708 E709	L692-Q694 PolarHBondContact O-N 2.98Å; L692-T697 PolarHBondContact O-OG1 3.36Å; L692-V700 HydrophobicContact CD1-CG1 4.05Å; L692-V700 HydrophobicContact CD1-CG2 3.96Å; L692-V700 HydrophobicContact CD2-CG1 4.11Å; L692-V700 HydrophobicContact CD2-CG2 4.22Å; L692-V700 HydrophobicContact CG-CG2 4.11Å; L692-E704 HydrophobicContact CD1-CB 4Å; L692-K708 HydrophobicContact CB-CB 4.09Å; L692-K708 HydrophobicContact CD1-CB 4.23Å; L692-K708 HydrophobicContact CD1-CD 3.81Å; L692-E709 HydrophobicContact CD2-CB 4.13Å; L692-E709 WeakPolarHBondContact CD2-OE2 3.39Å
693	Y	82.3	Confident	80.7	Confident	21 Å²	21	67.4 Å²	67.4	8%	0.082	36%	0.361	C	S	.	.			trans	-90.5	101.9	-171.8	-50.8	-76.3	0	0	0	111.7	K557 E579 I581 I643 Y691 T697 E709	K557-Y693 PolarHBondContact NZ-OH 3.26Å; E579-Y693 PolarHBondContact OE1-OH 2.93Å; E579-Y693 PolarHBondContact OE2-OH 2.72Å; I581-Y693 HydrophobicContact CD1-CD1 4.28Å; I581-Y693 HydrophobicContact CG2-CD1 4.29Å; I581-Y693 HydrophobicContact CG2-CE1 3.79Å; I643-Y693 HydrophobicContact CD1-CD1 4.49Å; I643-Y693 HydrophobicContact CG1-CD1 4.12Å; I643-Y693 HydrophobicContact CG1-CE1 3.94Å; I643-Y693 HydrophobicContact CG2-CE1 4.47Å; Y691-Y693 VanDerWaalsContact CD2-O 3.31Å; Y691-Y693 WeakPolarHBondContact CD2-O 3.44Å; Y691-Y693 VanDerWaalsContact CE2-O 3.23Å; Y691-Y693 WeakPolarHBondContact CE2-O 3.47Å; Y693-T697 HydrophobicContact CD1-CG2 4.36Å; Y693-E709 PolarHBondContact OH-OE2 2.62Å; Y693-E709 VanDerWaalsContact OH-OE2 3.05Å
694	Q	78.4	Confident	81.6	Confident	108 Å²	108	65.9 Å²	65.9	51%	0.505	36%	0.358	S	S	.	.			trans	-91.5	172.5	174.8	-61.1	-178.9	1.2	0	0	110.9	R640 Y691 L692 N696 T697	R640-Q694 PolarHBondContact NH1-O 3.3Å; Y691-Q694 HydrophobicContact CE2-CG 3.88Å; L692-Q694 PolarHBondContact O-N 2.98Å; Q694-N696 PolarHBondContact O-N 3.05Å; Q694-T697 PolarHBondContact N-OG1 3.4Å; Q694-T697 PolarHBondContact O-N 2.64Å; Q694-T697 VanDerWaalsContact O-N 3.14Å
695	E	74.4	Confident	82.4	Confident	90 Å²	90	61.3 Å²	61.3	42%	0.421	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-32.3	178	-66.3	170.1	-156.1	0	0	113.3	E601 K604 R640	E601-E695 HydrophobicContact CG-CG 4.32Å; K604-E695 IonicContact NZ-OE1 3.26Å; K604-E695 PolarHBondContact NZ-OE1 3.43Å; R640-E695 PolarHBondContact NH1-O 2.86Å
696	N	80.1	Confident	83	Confident	141 Å²	141	58.7 Å²	58.7	75%	0.754	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	10.9	-175.8	-65.1	-78.6	0	0	0	115	Q694 T698	Q694-N696 PolarHBondContact O-N 3.05Å; N696-T698 PolarHBondContact O-N 3.39Å
697	T	85.6	Confident	83.9	Confident	22 Å²	22	55.7 Å²	55.7	14%	0.135	29%	0.288	C	S	.	.			trans	-66.4	125.5	178.4	-60.5	0	0	0	0	110.6	I643 L692 Y693 Q694 V700	I643-T697 HydrophobicContact CD1-CG2 4.37Å; I643-T697 WeakPolarHBondContact CD1-O 3.46Å; L692-T697 PolarHBondContact O-OG1 3.36Å; Y693-T697 HydrophobicContact CD1-CG2 4.36Å; Q694-T697 PolarHBondContact N-OG1 3.4Å; Q694-T697 PolarHBondContact O-N 2.64Å; Q694-T697 VanDerWaalsContact O-N 3.14Å; T697-V700 HydrophobicContact CG2-CG2 3.77Å
698	T	88	Confident	84.7	Confident	75 Å²	75	52.9 Å²	52.9	46%	0.46	27%	0.274	S	S	.	.			trans	-135	-12.7	175.4	53.1	0	0	0	0	113.4	R644 N696	R644-T698 PolarHBondContact N-O 3.45Å; R644-T698 VanDerWaalsContact N-O 3.09Å; N696-T698 PolarHBondContact O-N 3.39Å
699	V	91.5	Very high	85.8	Confident	62 Å²	62	48.8 Å²	48.8	38%	0.376	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140.3	178.9	-178.7	0	0	0	0	107.9	R644 R646	R644-V699 VanDerWaalsContact O-CA 3.32Å; R644-V699 WeakPolarHBondContact O-CA 3.47Å; R646-V699 HydrophobicContact CB-CG1 3.67Å
700	V	92.7	Very high	86.9	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	144.5	-178.8	162.3	0	0	0	0	108.7	I643 R644 F645 R646 L692 T697 E704 F705	I643-V700 HydrophobicContact CG2-CB 4.08Å; I643-V700 HydrophobicContact CG2-CG2 3.7Å; R644-V700 PolarHBondContact O-N 3.12Å; F645-V700 CarbonylContact C-O 3.44Å; F645-V700 WeakPolarHBondContact CA-O 3.25Å; F645-V700 HydrophobicContact CD1-CG1 4.32Å; F645-V700 HydrophobicContact CE1-CG1 4.15Å; R646-V700 PolarHBondContact N-O 3.12Å; L692-V700 HydrophobicContact CD1-CG1 4.05Å; L692-V700 HydrophobicContact CD1-CG2 3.96Å; L692-V700 HydrophobicContact CD2-CG1 4.11Å; L692-V700 HydrophobicContact CD2-CG2 4.22Å; L692-V700 HydrophobicContact CG-CG2 4.11Å; T697-V700 HydrophobicContact CG2-CG2 3.77Å; V700-E704 HydrophobicContact CG1-CB 4.28Å; V700-F705 HydrophobicContact CG1-CB 4.02Å
701	T	94	Very high	87.9	Confident	11 Å²	11	42.3 Å²	42.3	7%	0.067	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	158.3	168.7	78.4	0	0	0	0	111.9	R646 D648 K703 E704 F705	R646-T701 WeakPolarHBondContact O-CA 3.31Å; D648-T701 HydrophobicContact CB-CG2 3.9Å; T701-K703 VanDerWaalsContact C-N 3.27Å; T701-K703 PolarHBondContact O-N 3.05Å; T701-E704 PolarHBondContact N-OE2 3.1Å; T701-E704 PolarHBondContact O-N 2.95Å; T701-E704 VanDerWaalsContact O-N 3.14Å; T701-E704 WeakPolarHBondContact OG1-CG 3.43Å; T701-E704 PolarHBondContact OG1-N 3.1Å; T701-F705 PolarHBondContact O-N 3.28Å
702	Y	93.9	Very high	88.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-31.7	-178.7	-59.6	-86	0	0	0	111.9	I561 I572 F645 D652 L656 V706	I561-Y702 HydrophobicContact CD1-CD1 4.25Å; I561-Y702 HydrophobicContact CD1-CE1 4.4Å; I561-Y702 HydrophobicContact CG1-CE1 4.33Å; I561-Y702 HydrophobicContact CG2-CD1 3.59Å; I561-Y702 HydrophobicContact CG2-CE1 3.8Å; I572-Y702 HydrophobicContact CD1-CE1 4.4Å; I572-Y702 HydrophobicContact CG1-CE1 4.38Å; I572-Y702 HydrophobicContact CG2-CD2 4.17Å; I572-Y702 HydrophobicContact CG2-CE2 3.59Å; I572-Y702 PolarHBondContact O-OH 3.03Å; F645-Y702 HydrophobicContact CB-CD1 4.26Å; F645-Y702 HydrophobicContact CB-CE1 3.57Å; F645-Y702 HydrophobicContact CB-CE2 4Å; F645-Y702 VanDerWaalsContact CB-CZ 3.44Å; F645-Y702 AromaticContact CD1-CD1 3.82Å; F645-Y702 HydrophobicContact CD1-CD1 3.82Å; F645-Y702 AromaticContact CD1-CE1 3.87Å; F645-Y702 HydrophobicContact CD1-CE1 3.87Å; F645-Y702 HydrophobicContact CD1-CG 4.46Å; F645-Y702 HydrophobicContact CG-CD1 4.22Å; F645-Y702 AromaticContact CG-CE1 3.77Å; F645-Y702 HydrophobicContact CG-CE1 3.77Å; D652-Y702 HydrophobicContact CB-CD2 4.33Å; D652-Y702 PolarHBondContact OD1-N 3.14Å; L656-Y702 HydrophobicContact CD1-CD1 4.37Å; L656-Y702 HydrophobicContact CD1-CG 4.33Å; Y702-V706 WeakPolarHBondContact O-CG2 3.34Å; Y702-V706 PolarHBondContact O-N 2.88Å
703	K	93.7	Very high	88.8	Confident	90 Å²	90	39.8 Å²	39.8	39%	0.391	20%	0.201	S	C	.	.	H	α-helix	trans	-63.2	-45	169.5	-176.2	-173.9	-173.5	-55.3	0	112	D651 D652 A655 T701 F705 V706 D707	D651-K703 HydrophobicContact CB-CD 4.37Å; D652-K703 VanDerWaalsContact OD1-CB 3.24Å; D652-K703 WeakPolarHBondContact OD1-CB 3.46Å; D652-K703 PolarHBondContact OD1-N 2.87Å; A655-K703 HydrophobicContact CB-CB 4.14Å; A655-K703 HydrophobicContact CB-CG 4.2Å; T701-K703 VanDerWaalsContact C-N 3.27Å; T701-K703 PolarHBondContact O-N 3.05Å; K703-F705 VanDerWaalsContact C-N 3.34Å; K703-F705 PolarHBondContact O-N 3.31Å; K703-V706 PolarHBondContact O-N 2.88Å; K703-D707 WeakPolarHBondContact CG-OD2 3.41Å; K703-D707 IonicContact NZ-OD2 3.01Å; K703-D707 PolarHBondContact NZ-OD2 3.14Å; K703-D707 WeakPolarHBondContact O-CB 3.46Å; K703-D707 PolarHBondContact O-N 2.7Å
704	E	92.8	Very high	89.2	Confident	67 Å²	67	39.1 Å²	39.1	31%	0.313	20%	0.2	S	C	.	.	H	α-helix	trans	-63	-41	177.5	-75.5	-169.8	110.3	0	0	112.3	L692 V700 T701 K708	L692-E704 HydrophobicContact CD1-CB 4Å; V700-E704 HydrophobicContact CG1-CB 4.28Å; T701-E704 PolarHBondContact N-OE2 3.1Å; T701-E704 PolarHBondContact O-N 2.95Å; T701-E704 VanDerWaalsContact O-N 3.14Å; T701-E704 WeakPolarHBondContact OG1-CG 3.43Å; T701-E704 PolarHBondContact OG1-N 3.1Å; E704-K708 HydrophobicContact CB-CD 4.36Å; E704-K708 WeakPolarHBondContact O-CB 3.39Å; E704-K708 WeakPolarHBondContact O-CG 3.3Å; E704-K708 PolarHBondContact O-N 3.33Å; E704-K708 IonicContact OE1-NZ 2.69Å; E704-K708 PolarHBondContact OE1-NZ 3.46Å
705	F	93.6	Very high	89.7	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-45.5	172.4	165.8	-95.6	0	0	0	112.2	S554 K557 I561 F645 V700 T701 K703 E709 L710	S554-F705 WeakPolarHBondContact O-CZ 3.05Å; K557-F705 HydrophobicContact CB-CE2 3.86Å; K557-F705 HydrophobicContact CB-CZ 3.81Å; K557-F705 HydrophobicContact CD-CE2 4.08Å; I561-F705 HydrophobicContact CD1-CD1 4.15Å; I561-F705 HydrophobicContact CD1-CE1 4.02Å; I561-F705 HydrophobicContact CD1-CZ 4.37Å; F645-F705 HydrophobicContact CE1-CB 3.88Å; F645-F705 HydrophobicContact CE1-CD2 4.1Å; F645-F705 AromaticContact CE1-CG 3.95Å; F645-F705 HydrophobicContact CE1-CG 3.95Å; F645-F705 HydrophobicContact CZ-CD2 4.24Å; F645-F705 HydrophobicContact CZ-CG 4.5Å; V700-F705 HydrophobicContact CG1-CB 4.02Å; T701-F705 PolarHBondContact O-N 3.28Å; K703-F705 VanDerWaalsContact C-N 3.34Å; K703-F705 PolarHBondContact O-N 3.31Å; F705-E709 HydrophobicContact CD2-CB 4.36Å; F705-E709 WeakPolarHBondContact CD2-OE2 3.28Å; F705-E709 HydrophobicContact CE2-CG 4.41Å; F705-E709 WeakPolarHBondContact CE2-OE2 3.45Å; F705-E709 WeakPolarHBondContact O-CB 3.29Å; F705-E709 PolarHBondContact O-N 3.5Å; F705-E709 VanDerWaalsContact O-N 3.16Å; F705-L710 HydrophobicContact CE1-CB 4.12Å; F705-L710 HydrophobicContact CE1-CD2 4.17Å; F705-L710 HydrophobicContact CZ-CB 4.26Å; F705-L710 HydrophobicContact CZ-CD1 4.49Å; F705-L710 PolarHBondContact O-N 2.86Å
706	V	93	Very high	90.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	I	π-helix	trans	-62.2	-52.8	177	168.5	0	0	0	0	111.1	A655 L656 A659 W671 Y702 K703 L710 I711	A655-V706 HydrophobicContact CB-CB 4.09Å; A655-V706 HydrophobicContact CB-CG1 4.16Å; A655-V706 HydrophobicContact CB-CG2 4.16Å; L656-V706 HydrophobicContact CD2-CG2 4.01Å; A659-V706 HydrophobicContact CB-CG1 4.31Å; A659-V706 HydrophobicContact CB-CG2 4.39Å; W671-V706 HydrophobicContact CH2-CG1 4.14Å; W671-V706 HydrophobicContact CZ2-CG1 3.55Å; W671-V706 WeakPolarHBondContact CZ2-O 3.46Å; Y702-V706 WeakPolarHBondContact O-CG2 3.34Å; Y702-V706 PolarHBondContact O-N 2.88Å; K703-V706 PolarHBondContact O-N 2.88Å; V706-L710 HydrophobicContact CG2-CD2 4.25Å; V706-I711 PolarHBondContact O-N 2.77Å
707	D	91.8	Very high	90.6	Very high	45 Å²	45	24.4 Å²	24.4	24%	0.241	13%	0.127	C	C	.	.	I	π-helix	trans	-81.2	-11.9	-171	-69.1	-31.4	0	0	0	115.3	W671 K703 I711	W671-D707 PolarHBondContact NE1-OD1 2.94Å; K703-D707 WeakPolarHBondContact CG-OD2 3.41Å; K703-D707 IonicContact NZ-OD2 3.01Å; K703-D707 PolarHBondContact NZ-OD2 3.14Å; K703-D707 WeakPolarHBondContact O-CB 3.46Å; K703-D707 PolarHBondContact O-N 2.7Å; D707-I711 WeakPolarHBondContact O-CG2 3.47Å
708	K	88.9	Confident	90.9	Very high	60 Å²	60	23.4 Å²	23.4	26%	0.261	12%	0.121	S	C	.	.	I	π-helix	trans	-122.9	-8.9	-177.5	-57.1	174.8	176.7	176.8	0	115	L692 E704 I712	L692-K708 HydrophobicContact CB-CB 4.09Å; L692-K708 HydrophobicContact CD1-CB 4.23Å; L692-K708 HydrophobicContact CD1-CD 3.81Å; E704-K708 HydrophobicContact CB-CD 4.36Å; E704-K708 WeakPolarHBondContact O-CB 3.39Å; E704-K708 WeakPolarHBondContact O-CG 3.3Å; E704-K708 PolarHBondContact O-N 3.33Å; E704-K708 IonicContact OE1-NZ 2.69Å; E704-K708 PolarHBondContact OE1-NZ 3.46Å; K708-I712 WeakPolarHBondContact O-CD1 3.21Å
709	E	89.7	Confident	91	Very high	10 Å²	10	22.4 Å²	22.4	5%	0.047	11%	0.111	C	C	.	.	I	π-helix	trans	-136.7	-57.8	-175.8	-171.7	-167.9	152.6	0	0	111.3	S554 K557 L692 Y693 F705 I711 I712 F713	S554-E709 WeakPolarHBondContact CB-OE1 3.43Å; S554-E709 PolarHBondContact OG-OE1 3.42Å; S554-E709 VanDerWaalsContact OG-OE1 3.08Å; K557-E709 WeakPolarHBondContact CD-OE1 3.42Å; K557-E709 WeakPolarHBondContact CE-OE1 3.41Å; K557-E709 IonicContact NZ-OE1 3.27Å; K557-E709 PolarHBondContact NZ-OE1 2.66Å; L692-E709 HydrophobicContact CD2-CB 4.13Å; L692-E709 WeakPolarHBondContact CD2-OE2 3.39Å; Y693-E709 PolarHBondContact OH-OE2 2.62Å; Y693-E709 VanDerWaalsContact OH-OE2 3.05Å; F705-E709 HydrophobicContact CD2-CB 4.36Å; F705-E709 WeakPolarHBondContact CD2-OE2 3.28Å; F705-E709 HydrophobicContact CE2-CG 4.41Å; F705-E709 WeakPolarHBondContact CE2-OE2 3.45Å; F705-E709 WeakPolarHBondContact O-CB 3.29Å; F705-E709 PolarHBondContact O-N 3.5Å; F705-E709 VanDerWaalsContact O-N 3.16Å; E709-I711 PolarHBondContact O-N 3.45Å; E709-I712 WeakPolarHBondContact O-CB 3.35Å; E709-I712 PolarHBondContact O-N 2.69Å; E709-F713 PolarHBondContact O-N 3.06Å
710	L	91.4	Very high	90.7	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.016	10%	0.095	C	C	.	.	I	π-helix	trans	-64.3	-26.6	178.7	-169.3	65.9	0	0	0	112.3	A659 F660 F705 V706 I712 F713 S714	A659-L710 HydrophobicContact CB-CD2 3.73Å; F660-L710 HydrophobicContact CE2-CD2 3.69Å; F660-L710 HydrophobicContact CZ-CD1 4.47Å; F660-L710 HydrophobicContact CZ-CD2 3.67Å; F705-L710 HydrophobicContact CE1-CB 4.12Å; F705-L710 HydrophobicContact CE1-CD2 4.17Å; F705-L710 HydrophobicContact CZ-CB 4.26Å; F705-L710 HydrophobicContact CZ-CD1 4.49Å; F705-L710 PolarHBondContact O-N 2.86Å; V706-L710 HydrophobicContact CG2-CD2 4.25Å; L710-I712 VanDerWaalsContact C-N 3.3Å; L710-F713 HydrophobicContact CD1-CD1 4.32Å; L710-S714 WeakPolarHBondContact O-CB 3.34Å; L710-S714 PolarHBondContact O-N 3.36Å; L710-S714 PolarHBondContact O-OG 3.27Å
711	I	91.5	Very high	90.7	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-64.4	-33.5	172	-158.9	164.7	0	0	0	112.6	W671 L672 W675 V706 D707 E709 S714 N715	W671-I711 HydrophobicContact CD2-CD1 3.87Å; W671-I711 HydrophobicContact CD2-CG1 4.26Å; W671-I711 VanDerWaalsContact CE2-CD1 3.49Å; W671-I711 HydrophobicContact CE3-CD1 4.37Å; W671-I711 HydrophobicContact CE3-CG1 4.29Å; W671-I711 HydrophobicContact CG-CD1 4.35Å; W671-I711 HydrophobicContact CH2-CB 3.69Å; W671-I711 HydrophobicContact CH2-CD1 4.23Å; W671-I711 HydrophobicContact CH2-CG1 3.72Å; W671-I711 HydrophobicContact CZ2-CB 3.62Å; W671-I711 HydrophobicContact CZ2-CD1 3.7Å; W671-I711 HydrophobicContact CZ2-CG1 3.67Å; W671-I711 HydrophobicContact CZ3-CB 4.45Å; W671-I711 HydrophobicContact CZ3-CG1 4.03Å; L672-I711 HydrophobicContact CD2-CG1 4.03Å; W675-I711 HydrophobicContact CB-CD1 3.52Å; W675-I711 HydrophobicContact CB-CG1 4.3Å; W675-I711 HydrophobicContact CD2-CD1 4.37Å; W675-I711 HydrophobicContact CD2-CG1 4.36Å; W675-I711 HydrophobicContact CG-CD1 3.55Å; W675-I711 HydrophobicContact CG-CG1 4.03Å; V706-I711 PolarHBondContact O-N 2.77Å; D707-I711 WeakPolarHBondContact O-CG2 3.47Å; E709-I711 PolarHBondContact O-N 3.45Å; I711-S714 CarbonylContact O-C 3.08Å; I711-S714 WeakPolarHBondContact O-CB 3.35Å; I711-S714 PolarHBondContact O-N 3.29Å; I711-N715 WeakPolarHBondContact O-CB 3.36Å; I711-N715 PolarHBondContact O-N 2.81Å
712	I	89	Confident	90.6	Very high	20 Å²	20	20.2 Å²	20.2	10%	0.103	10%	0.098	C	C	.	.	H	α-helix	trans	-71	-47.3	-178.6	-51.5	-180	0	0	0	108.9	W675 K708 E709 L710 S714 N715 M716 F1578	W675-I712 HydrophobicContact CZ2-CG1 4.19Å; K708-I712 WeakPolarHBondContact O-CD1 3.21Å; E709-I712 WeakPolarHBondContact O-CB 3.35Å; E709-I712 PolarHBondContact O-N 2.69Å; L710-I712 VanDerWaalsContact C-N 3.3Å; I712-S714 VanDerWaalsContact C-N 3.3Å; I712-S714 PolarHBondContact O-N 3.05Å; I712-N715 PolarHBondContact O-N 3.04Å; I712-M716 PolarHBondContact O-N 3.28Å; I712-F1578 HydrophobicContact CG2-CE2 3.51Å; I712-F1578 HydrophobicContact CG2-CZ 3.66Å
713	F	89	Confident	90.7	Very high	4 Å²	4	20.3 Å²	20.3	2%	0.018	10%	0.098	C	C	.	.	H	α-helix	trans	-53.3	-47.4	166.5	169.4	-95.1	0	0	0	112	Q551 D552 H555 E709 L710 N715 M716 D717	Q551-F713 HydrophobicContact CB-CB 4.03Å; Q551-F713 HydrophobicContact CB-CD2 4.11Å; Q551-F713 WeakPolarHBondContact O-CB 3.46Å; Q551-F713 WeakPolarHBondContact O-CD2 3.37Å; Q551-F713 WeakPolarHBondContact O-CG 3.2Å; D552-F713 WeakPolarHBondContact OD1-CE2 3.32Å; H555-F713 HydrophobicContact CB-CD1 3.81Å; H555-F713 HydrophobicContact CB-CD2 3.75Å; H555-F713 HydrophobicContact CB-CE1 3.69Å; H555-F713 HydrophobicContact CB-CE2 3.57Å; H555-F713 HydrophobicContact CB-CG 3.85Å; H555-F713 HydrophobicContact CB-CZ 3.57Å; H555-F713 AromaticContact CD2-CE1 3.64Å; H555-F713 AromaticContact CE1-CE1 3.91Å; H555-F713 AromaticContact CE1-CZ 3.68Å; H555-F713 AromaticContact CG-CD1 3.99Å; H555-F713 AromaticContact CG-CE1 3.4Å; H555-F713 VanDerWaalsContact CG-CE1 3.4Å; H555-F713 AromaticContact CG-CE2 3.87Å; H555-F713 AromaticContact CG-CZ 3.34Å; H555-F713 AromaticContact ND1-CE1 3.6Å; H555-F713 AromaticContact ND1-CE2 3.79Å; H555-F713 AromaticContact ND1-CZ 3.13Å; H555-F713 WeakPolarHBondContact ND1-CZ 3.39Å; H555-F713 AromaticContact NE2-CE1 3.98Å; E709-F713 PolarHBondContact O-N 3.06Å; L710-F713 HydrophobicContact CD1-CD1 4.32Å; F713-N715 VanDerWaalsContact C-N 3.26Å; F713-N715 PolarHBondContact O-N 2.83Å; F713-M716 HydrophobicContact CD2-CE 4.49Å; F713-M716 HydrophobicContact CD2-SD 4.01Å; F713-M716 PolarHBondContact O-N 3.41Å; F713-D717 HydrophobicContact CE1-CB 4.34Å; F713-D717 HydrophobicContact CZ-CB 4.32Å; F713-D717 WeakPolarHBondContact O-CB 3.24Å; F713-D717 PolarHBondContact O-N 3.3Å
714	S	90.4	Very high	90.7	Very high	7 Å²	7	16.6 Å²	16.6	5%	0.049	8%	0.084	C	C	.	.	H	α-helix	trans	-64.6	-29.9	-177.4	-60.4	0	0	0	0	112.7	L710 I711 I712 N718	L710-S714 WeakPolarHBondContact O-CB 3.34Å; L710-S714 PolarHBondContact O-N 3.36Å; L710-S714 PolarHBondContact O-OG 3.27Å; I711-S714 CarbonylContact O-C 3.08Å; I711-S714 WeakPolarHBondContact O-CB 3.35Å; I711-S714 PolarHBondContact O-N 3.29Å; I712-S714 VanDerWaalsContact C-N 3.3Å; I712-S714 PolarHBondContact O-N 3.05Å; S714-N718 PolarHBondContact O-ND2 2.76Å
715	N	89.4	Confident	90.8	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.016	7%	0.07	C	C	.	.	H	α-helix	trans	-77.1	-49.2	173.1	177.5	77.8	0	0	0	111.9	L672 W675 M676 I711 I712 F713 D717 N718 E719	L672-N715 HydrophobicContact CD2-CB 4.46Å; W675-N715 HydrophobicContact CE3-CB 4.05Å; W675-N715 HydrophobicContact CH2-CB 4.1Å; W675-N715 HydrophobicContact CZ3-CB 3.54Å; M676-N715 WeakPolarHBondContact CE-OD1 3.37Å; I711-N715 WeakPolarHBondContact O-CB 3.36Å; I711-N715 PolarHBondContact O-N 2.81Å; I712-N715 PolarHBondContact O-N 3.04Å; F713-N715 VanDerWaalsContact C-N 3.26Å; F713-N715 PolarHBondContact O-N 2.83Å; N715-D717 PolarHBondContact O-N 2.94Å; N715-N718 CarbonylContact O-C 3.3Å; N715-N718 WeakPolarHBondContact O-CA 3.46Å; N715-N718 WeakPolarHBondContact O-CB 3.37Å; N715-N718 PolarHBondContact O-N 2.78Å; N715-E719 PolarHBondContact ND2-OE1 3.02Å; N715-E719 PolarHBondContact O-N 2.63Å
716	M	85.3	Confident	90.8	Very high	10 Å²	10	13.6 Å²	13.6	5%	0.049	7%	0.07	C	C	.	.	H	α-helix	trans	-67.7	-21.9	179.6	135.4	-77.2	-165.4	0	0	112.3	Q551 D552 I712 F713 N718 E719 R720 A1575	Q551-M716 HydrophobicContact CB-CE 3.47Å; Q551-M716 VanDerWaalsContact CB-CE 3.47Å; Q551-M716 HydrophobicContact CB-SD 3.65Å; Q551-M716 HydrophobicContact CG-CE 4.07Å; Q551-M716 HydrophobicContact CG-SD 4.06Å; D552-M716 WeakPolarHBondContact OD2-CE 3.34Å; I712-M716 PolarHBondContact O-N 3.28Å; F713-M716 HydrophobicContact CD2-CE 4.49Å; F713-M716 HydrophobicContact CD2-SD 4.01Å; F713-M716 PolarHBondContact O-N 3.41Å; M716-N718 VanDerWaalsContact C-N 3.32Å; M716-E719 PolarHBondContact O-N 3.44Å; M716-R720 WeakPolarHBondContact O-CG 3.23Å; M716-R720 PolarHBondContact O-N 3.22Å; M716-R720 PolarHBondContact SD-NH1 2.71Å; M716-A1575 HydrophobicContact CE-CB 3.29Å
717	D	87.8	Confident	90.9	Very high	17 Å²	17	13.6 Å²	13.6	9%	0.091	7%	0.07	C	C	.	.	H	α-helix	trans	-66.4	-29.3	165.5	-176.1	57.6	0	0	0	114.1	F713 N715 R720 S721 T865	F713-D717 HydrophobicContact CE1-CB 4.34Å; F713-D717 HydrophobicContact CZ-CB 4.32Å; F713-D717 WeakPolarHBondContact O-CB 3.24Å; F713-D717 PolarHBondContact O-N 3.3Å; N715-D717 PolarHBondContact O-N 2.94Å; D717-R720 VanDerWaalsContact CB-NH2 3.29Å; D717-R720 VanDerWaalsContact CG-NH2 3.3Å; D717-R720 WeakPolarHBondContact O-CG 3.2Å; D717-R720 IonicContact OD1-CZ 2.76Å; D717-R720 VanDerWaalsContact OD1-CZ 3.23Å; D717-R720 IonicContact OD1-NE 2.66Å; D717-R720 PolarHBondContact OD1-NE 3.08Å; D717-R720 IonicContact OD1-NH2 2.85Å; D717-R720 PolarHBondContact OD1-NH2 2.81Å; D717-S721 VanDerWaalsContact O-CB 3.28Å; D717-S721 WeakPolarHBondContact O-CB 3.35Å; D717-S721 PolarHBondContact O-OG 2.78Å; D717-T865 WeakPolarHBondContact OD2-CA 3.36Å; D717-T865 WeakPolarHBondContact OD2-CB 3.24Å; D717-T865 PolarHBondContact OD2-N 3.01Å; D717-T865 PolarHBondContact OD2-OG1 2.93Å
718	N	91.6	Very high	91.1	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-78.3	-44.1	167.5	-73.8	-72.3	0	0	0	110.9	S714 N715 M716 R720 S721 I722 T865 W867 F1010 L1016	S714-N718 PolarHBondContact O-ND2 2.76Å; N715-N718 CarbonylContact O-C 3.3Å; N715-N718 WeakPolarHBondContact O-CA 3.46Å; N715-N718 WeakPolarHBondContact O-CB 3.37Å; N715-N718 PolarHBondContact O-N 2.78Å; M716-N718 VanDerWaalsContact C-N 3.32Å; N718-R720 VanDerWaalsContact C-N 3.32Å; N718-R720 PolarHBondContact O-N 3.47Å; N718-S721 PolarHBondContact O-N 3.34Å; N718-S721 VanDerWaalsContact O-N 3.08Å; N718-I722 HydrophobicContact CB-CD1 4.44Å; N718-I722 WeakPolarHBondContact O-CB 3.18Å; N718-I722 PolarHBondContact O-N 3.31Å; N718-T865 PolarHBondContact ND2-N 3.01Å; N718-T865 PolarHBondContact ND2-O 3.4Å; N718-T865 PolarHBondContact OD1-N 2.9Å; N718-T865 PolarHBondContact OD1-O 3.27Å; N718-W867 WeakPolarHBondContact OD1-CB 3.43Å; N718-F1010 HydrophobicContact CB-CE2 4.34Å; N718-F1010 HydrophobicContact CB-CZ 3.85Å; N718-F1010 WeakPolarHBondContact O-CE2 3.47Å; N718-L1016 HydrophobicContact CB-CD1 4.03Å
719	E	89.2	Confident	91.4	Very high	55 Å²	55	9.5 Å²	9.5	26%	0.257	5%	0.053	S	C	.	.	H	α-helix	trans	-57.9	-38.9	-179.3	-66.6	171.1	167.9	0	0	112.9	R679 N715 M716 P731 F1010	R679-E719 IonicContact NH1-OE1 3.8Å; R679-E719 PolarHBondContact NH1-OE1 2.96Å; N715-E719 PolarHBondContact ND2-OE1 3.02Å; N715-E719 PolarHBondContact O-N 2.63Å; M716-E719 PolarHBondContact O-N 3.44Å; E719-P731 WeakPolarHBondContact O-CD 2.91Å; E719-P731 WeakPolarHBondContact O-CG 3.44Å; E719-F1010 HydrophobicContact CB-CE2 4.42Å; E719-F1010 HydrophobicContact CB-CZ 4.25Å; E719-F1010 HydrophobicContact CG-CE1 4.04Å; E719-F1010 HydrophobicContact CG-CE2 4.21Å; E719-F1010 HydrophobicContact CG-CZ 3.62Å
720	R	87.1	Confident	91.6	Very high	8 Å²	8	11.3 Å²	11.3	3%	0.03	6%	0.061	C	C	.	.	H	α-helix	trans	-70.7	-39.1	173.5	67.7	-164.3	172.9	-148.3	-7.5	113.6	D552 M716 D717 N718 K730 D1574	D552-R720 IonicContact OD2-NH1 3.25Å; D552-R720 PolarHBondContact OD2-NH1 2.62Å; D552-R720 VanDerWaalsContact OD2-NH1 3.15Å; M716-R720 WeakPolarHBondContact O-CG 3.23Å; M716-R720 PolarHBondContact O-N 3.22Å; M716-R720 PolarHBondContact SD-NH1 2.71Å; D717-R720 VanDerWaalsContact CB-NH2 3.29Å; D717-R720 VanDerWaalsContact CG-NH2 3.3Å; D717-R720 WeakPolarHBondContact O-CG 3.2Å; D717-R720 IonicContact OD1-CZ 2.76Å; D717-R720 VanDerWaalsContact OD1-CZ 3.23Å; D717-R720 IonicContact OD1-NE 2.66Å; D717-R720 PolarHBondContact OD1-NE 3.08Å; D717-R720 IonicContact OD1-NH2 2.85Å; D717-R720 PolarHBondContact OD1-NH2 2.81Å; N718-R720 VanDerWaalsContact C-N 3.32Å; N718-R720 PolarHBondContact O-N 3.47Å; R720-K730 WeakPolarHBondContact O-CB 3.46Å; R720-K730 WeakPolarHBondContact O-CD 3.01Å; R720-K730 WeakPolarHBondContact O-CG 3.08Å; R720-D1574 HydrophobicContact CB-CB 4.12Å; R720-D1574 WeakPolarHBondContact CD-O 3.33Å; R720-D1574 PolarHBondContact NH1-O 2.8Å
721	S	90.7	Very high	91.6	Very high	21 Å²	21	11.7 Å²	11.7	15%	0.147	6%	0.063	C	C	.	.	H	α-helix	trans	-89.8	-29.4	-168.6	-71.7	0	0	0	0	114.1	D717 N718 K730 G862 I863	D717-S721 VanDerWaalsContact O-CB 3.28Å; D717-S721 WeakPolarHBondContact O-CB 3.35Å; D717-S721 PolarHBondContact O-OG 2.78Å; N718-S721 PolarHBondContact O-N 3.34Å; N718-S721 VanDerWaalsContact O-N 3.08Å; S721-K730 WeakPolarHBondContact O-CE 3.5Å; S721-K730 PolarHBondContact O-NZ 3.02Å; S721-G862 WeakPolarHBondContact O-CA 3.49Å; S721-I863 WeakPolarHBondContact CB-O 3.35Å; S721-I863 PolarHBondContact OG-O 3.31Å
722	I	93.8	Very high	91.6	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.005	6%	0.063	C	C	.	.	S	Bend	trans	-113.6	123.8	-176.3	-60.7	175.2	0	0	0	108.4	N718 W867 T869 V1008 F1010 L1016	N718-I722 HydrophobicContact CB-CD1 4.44Å; N718-I722 WeakPolarHBondContact O-CB 3.18Å; N718-I722 PolarHBondContact O-N 3.31Å; I722-W867 HydrophobicContact CD1-CB 3.65Å; I722-T869 HydrophobicContact CB-CG2 4.49Å; I722-T869 HydrophobicContact CG1-CG2 4.21Å; I722-T869 HydrophobicContact CG2-CG2 4.31Å; I722-V1008 HydrophobicContact CD1-CG1 4.47Å; I722-V1008 VanDerWaalsContact CG2-O 3.3Å; I722-V1008 WeakPolarHBondContact CG2-O 3.48Å; I722-F1010 HydrophobicContact CB-CD2 4.31Å; I722-F1010 HydrophobicContact CB-CE2 4Å; I722-F1010 HydrophobicContact CG2-CD2 4.16Å; I722-F1010 HydrophobicContact CG2-CE2 4.3Å; I722-F1010 WeakPolarHBondContact O-CD2 3.31Å; I722-F1010 WeakPolarHBondContact O-CE2 3.37Å; I722-L1016 HydrophobicContact CB-CD2 4.37Å; I722-L1016 HydrophobicContact CD1-CD1 4.2Å; I722-L1016 HydrophobicContact CD1-CD2 4.04Å; I722-L1016 HydrophobicContact CG2-CD2 3.91Å
723	P	94.9	Very high	91.9	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.013	7%	0.068	C	C	.	.			trans	-76.8	165.9	-177	29.4	-30.4	0	0	0	113.3	G728 L729 K730 V855 A860 L1009 F1010	P723-G728 VanDerWaalsContact CB-O 3.3Å; P723-G728 WeakPolarHBondContact CB-O 3.43Å; P723-L729 WeakPolarHBondContact CA-O 3.33Å; P723-L729 VanDerWaalsContact CB-C 3.46Å; P723-L729 WeakPolarHBondContact CB-O 3.41Å; P723-K730 HydrophobicContact CB-CG 4.36Å; P723-V855 HydrophobicContact CG-CG2 4.36Å; P723-A860 HydrophobicContact CG-CB 3.63Å; P723-L1009 HydrophobicContact CG-CD2 3.82Å; P723-F1010 PolarHBondContact O-N 2.97Å
724	S	94.3	Very high	92.2	Very high	12 Å²	12	13.1 Å²	13.1	8%	0.084	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-67.5	145.3	169.2	177.5	0	0	0	0	111.5	V726 G728 L729	S724-V726 PolarHBondContact O-N 3.3Å; S724-V726 PolarHBondContact OG-N 2.93Å; S724-V726 VanDerWaalsContact OG-N 3.09Å; S724-G728 WeakPolarHBondContact O-CA 3.47Å; S724-G728 PolarHBondContact O-N 2.68Å; S724-L729 PolarHBondContact N-O 3.28Å
725	L	94.8	Very high	92.4	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.021	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.5	166.2	174.4	67.6	0	0	0	112.6	L1009 F1010 F1019 I1025 C1028	L725-L1009 HydrophobicContact CB-CB 4.42Å; L725-L1009 HydrophobicContact CD1-CD1 4.05Å; L725-F1010 WeakPolarHBondContact CB-O 3.19Å; L725-F1010 PolarHBondContact N-O 3.3Å; L725-F1019 HydrophobicContact CD1-CE1 4.31Å; L725-F1019 HydrophobicContact CD1-CZ 4.06Å; L725-F1019 HydrophobicContact CD2-CE1 4.47Å; L725-F1019 HydrophobicContact CD2-CZ 4.1Å; L725-I1025 HydrophobicContact CD1-CB 4.34Å; L725-I1025 HydrophobicContact CD1-CG2 3.7Å; L725-C1028 HydrophobicContact CD2-CB 3.75Å
726	V	94.3	Very high	92.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-53.6	-166.1	-164.9	0	0	0	0	112.1	S724 W847 P850 A1012 F1029 V1032	S724-V726 PolarHBondContact O-N 3.3Å; S724-V726 PolarHBondContact OG-N 2.93Å; S724-V726 VanDerWaalsContact OG-N 3.09Å; V726-W847 HydrophobicContact CB-CB 4.43Å; V726-W847 HydrophobicContact CB-CD2 4.12Å; V726-W847 HydrophobicContact CB-CE3 3.95Å; V726-W847 HydrophobicContact CB-CG 4.34Å; V726-W847 HydrophobicContact CG1-CD2 4.21Å; V726-W847 HydrophobicContact CG1-CE3 3.53Å; V726-W847 HydrophobicContact CG1-CZ3 3.81Å; V726-W847 HydrophobicContact CG2-CD2 4.13Å; V726-W847 HydrophobicContact CG2-CE3 4.24Å; V726-W847 HydrophobicContact CG2-CG 4.44Å; V726-P850 VanDerWaalsContact O-CD 3.23Å; V726-P850 WeakPolarHBondContact O-CD 3.46Å; V726-P850 VanDerWaalsContact O-CG 3.26Å; V726-P850 WeakPolarHBondContact O-CG 3.34Å; V726-A1012 HydrophobicContact CG2-CB 3.77Å; V726-F1029 WeakPolarHBondContact O-CE2 3.13Å; V726-V1032 HydrophobicContact CG1-CG1 3.98Å; V726-V1032 HydrophobicContact CG2-CG1 4.13Å
727	D	94.7	Very high	93.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-6.8	176.3	60.1	16.7	0	0	0	114.9	L729 R734 F825 W847 Y848 T854	D727-L729 HydrophobicContact CB-CB 4.47Å; D727-L729 HydrophobicContact CB-CD1 4.2Å; D727-L729 HydrophobicContact CB-CG 4.02Å; D727-L729 WeakPolarHBondContact O-CG 3.44Å; D727-L729 PolarHBondContact O-N 2.88Å; D727-L729 VanDerWaalsContact O-N 3.09Å; D727-L729 WeakPolarHBondContact OD1-CB 3.31Å; D727-L729 PolarHBondContact OD1-N 3.4Å; D727-R734 IonicContact OD1-CZ 3.18Å; D727-R734 IonicContact OD1-NE 2.8Å; D727-R734 IonicContact OD1-NH2 3.27Å; D727-R734 PolarHBondContact OD1-NH2 2.7Å; D727-R734 IonicContact OD2-CZ 2.68Å; D727-R734 IonicContact OD2-NE 2.73Å; D727-R734 PolarHBondContact OD2-NE 2.68Å; D727-R734 IonicContact OD2-NH2 2.7Å; D727-R734 PolarHBondContact OD2-NH2 2.98Å; D727-R734 VanDerWaalsContact OD2-NH2 3.15Å; D727-F825 HydrophobicContact CB-CE1 4.15Å; D727-W847 WeakPolarHBondContact OD2-CA 3.36Å; D727-Y848 WeakPolarHBondContact CB-O 3.24Å; D727-Y848 PolarHBondContact OD2-N 2.73Å; D727-T854 WeakPolarHBondContact O-CB 3.18Å; D727-T854 PolarHBondContact O-OG1 2.85Å
728	G	94.5	Very high	93.5	Very high	10 Å²	10	12.3 Å²	12.3	10%	0.103	6%	0.063	C	C	.	.			trans	62.2	12.5	-175.3	0	0	0	0	0	114.2	P723 S724	P723-G728 VanDerWaalsContact CB-O 3.3Å; P723-G728 WeakPolarHBondContact CB-O 3.43Å; S724-G728 WeakPolarHBondContact O-CA 3.47Å; S724-G728 PolarHBondContact O-N 2.68Å
729	L	95.3	Very high	93.6	Very high	8 Å²	8	12.3 Å²	12.3	4%	0.042	6%	0.063	C	C	.	.			trans	-99.3	144.1	-177.2	-57.3	179.3	0	0	0	111.5	P723 S724 D727 Q733 R734 L737 L790 F825	P723-L729 WeakPolarHBondContact CA-O 3.33Å; P723-L729 VanDerWaalsContact CB-C 3.46Å; P723-L729 WeakPolarHBondContact CB-O 3.41Å; S724-L729 PolarHBondContact N-O 3.28Å; D727-L729 HydrophobicContact CB-CB 4.47Å; D727-L729 HydrophobicContact CB-CD1 4.2Å; D727-L729 HydrophobicContact CB-CG 4.02Å; D727-L729 WeakPolarHBondContact O-CG 3.44Å; D727-L729 PolarHBondContact O-N 2.88Å; D727-L729 VanDerWaalsContact O-N 3.09Å; D727-L729 WeakPolarHBondContact OD1-CB 3.31Å; D727-L729 PolarHBondContact OD1-N 3.4Å; L729-Q733 HydrophobicContact CB-CB 4.25Å; L729-Q733 HydrophobicContact CD2-CB 4.19Å; L729-R734 HydrophobicContact CD1-CB 4.44Å; L729-R734 PolarHBondContact O-NH2 3.28Å; L729-L737 HydrophobicContact CD1-CD1 3.54Å; L729-L737 HydrophobicContact CD1-CG 4.39Å; L729-L790 HydrophobicContact CD2-CD1 4.19Å; L729-F825 HydrophobicContact CD1-CZ 4.38Å
730	K	94.5	Very high	93.8	Very high	48 Å²	48	10.2 Å²	10.2	21%	0.209	5%	0.054	C	C	.	.			trans	-76.9	154.7	160	-60.9	-178.4	-175.5	-159.4	0	109.5	R720 S721 P723 G732 Q733 R734 E861	R720-K730 WeakPolarHBondContact O-CB 3.46Å; R720-K730 WeakPolarHBondContact O-CD 3.01Å; R720-K730 WeakPolarHBondContact O-CG 3.08Å; S721-K730 WeakPolarHBondContact O-CE 3.5Å; S721-K730 PolarHBondContact O-NZ 3.02Å; P723-K730 HydrophobicContact CB-CG 4.36Å; K730-G732 VanDerWaalsContact C-N 3.32Å; K730-G732 PolarHBondContact O-N 2.65Å; K730-Q733 HydrophobicContact CB-CG 4.35Å; K730-Q733 WeakPolarHBondContact O-CB 3.34Å; K730-Q733 PolarHBondContact O-N 3.43Å; K730-R734 PolarHBondContact O-N 3.18Å; K730-E861 WeakPolarHBondContact CE-O 3.43Å; K730-E861 PolarHBondContact NZ-O 2.67Å
731	P	91.6	Very high	94.2	Very high	11 Å²	11	10.4 Å²	10.4	7%	0.071	6%	0.056	C	C	.	.	H	α-helix	trans	-59.8	-37.3	-173.7	-21.8	33.3	0	0	0	113.7	E719 Q733 R734 K735 F1576	E719-P731 WeakPolarHBondContact O-CD 2.91Å; E719-P731 WeakPolarHBondContact O-CG 3.44Å; P731-Q733 PolarHBondContact O-N 3.07Å; P731-R734 WeakPolarHBondContact O-CB 3.28Å; P731-R734 PolarHBondContact O-N 3.22Å; P731-K735 PolarHBondContact O-N 2.96Å; P731-F1576 HydrophobicContact CB-CD1 4.3Å; P731-F1576 HydrophobicContact CB-CD2 3.32Å; P731-F1576 HydrophobicContact CB-CE1 4.07Å; P731-F1576 HydrophobicContact CB-CE2 3.03Å; P731-F1576 HydrophobicContact CB-CG 3.94Å; P731-F1576 HydrophobicContact CB-CZ 3.43Å; P731-F1576 VanDerWaalsContact CB-CZ 3.43Å; P731-F1576 HydrophobicContact CG-CD2 4.36Å; P731-F1576 HydrophobicContact CG-CE2 4.39Å
732	G	91.8	Very high	94.2	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-64.4	-36.5	172.8	0	0	0	0	0	114.2	K730 R734 K735 V736	K730-G732 VanDerWaalsContact C-N 3.32Å; K730-G732 PolarHBondContact O-N 2.65Å; G732-R734 VanDerWaalsContact C-N 3.3Å; G732-R734 PolarHBondContact O-N 3.31Å; G732-K735 PolarHBondContact O-N 3.42Å; G732-V736 WeakPolarHBondContact O-CG2 3.41Å; G732-V736 PolarHBondContact O-N 2.89Å
733	Q	95.3	Very high	94	Very high	44 Å²	44	18.6 Å²	18.6	21%	0.206	9%	0.086	C	C	.	.	H	α-helix	trans	-67	-34.6	173.6	-64.2	169.9	-35.3	0	0	111.3	L729 K730 P731 V736 L737 T774 L778	L729-Q733 HydrophobicContact CB-CB 4.25Å; L729-Q733 HydrophobicContact CD2-CB 4.19Å; K730-Q733 HydrophobicContact CB-CG 4.35Å; K730-Q733 WeakPolarHBondContact O-CB 3.34Å; K730-Q733 PolarHBondContact O-N 3.43Å; P731-Q733 PolarHBondContact O-N 3.07Å; Q733-V736 PolarHBondContact O-N 3.3Å; Q733-L737 PolarHBondContact O-N 2.95Å; Q733-L737 VanDerWaalsContact O-N 3.11Å; Q733-T774 HydrophobicContact CB-CG2 4.34Å; Q733-T774 HydrophobicContact CG-CG2 3.65Å; Q733-L778 HydrophobicContact CB-CD1 4.15Å; Q733-L778 HydrophobicContact CB-CD2 4.38Å; Q733-L778 HydrophobicContact CG-CD1 4.23Å; Q733-L778 HydrophobicContact CG-CD2 4.16Å; Q733-L778 HydrophobicContact CG-CG 4.35Å
734	R	95.4	Very high	93.7	Very high	13 Å²	13	22.3 Å²	22.3	5%	0.049	11%	0.106	C	C	.	.	H	α-helix	trans	-66.8	-42.7	176.5	-161.9	174.5	-61.7	115.5	5.2	112.2	D727 L729 K730 P731 G732 V736 L737 Y738 E844 P845 E846 Y848	D727-R734 IonicContact OD1-CZ 3.18Å; D727-R734 IonicContact OD1-NE 2.8Å; D727-R734 IonicContact OD1-NH2 3.27Å; D727-R734 PolarHBondContact OD1-NH2 2.7Å; D727-R734 IonicContact OD2-CZ 2.68Å; D727-R734 IonicContact OD2-NE 2.73Å; D727-R734 PolarHBondContact OD2-NE 2.68Å; D727-R734 IonicContact OD2-NH2 2.7Å; D727-R734 PolarHBondContact OD2-NH2 2.98Å; D727-R734 VanDerWaalsContact OD2-NH2 3.15Å; L729-R734 HydrophobicContact CD1-CB 4.44Å; L729-R734 PolarHBondContact O-NH2 3.28Å; K730-R734 PolarHBondContact O-N 3.18Å; P731-R734 WeakPolarHBondContact O-CB 3.28Å; P731-R734 PolarHBondContact O-N 3.22Å; G732-R734 VanDerWaalsContact C-N 3.3Å; G732-R734 PolarHBondContact O-N 3.31Å; R734-V736 VanDerWaalsContact C-N 3.33Å; R734-V736 PolarHBondContact O-N 2.97Å; R734-L737 PolarHBondContact O-N 3.03Å; R734-Y738 WeakPolarHBondContact O-CB 3.4Å; R734-Y738 PolarHBondContact O-N 2.99Å; R734-E844 HydrophobicContact CB-CG 4.39Å; R734-E844 HydrophobicContact CG-CB 4.19Å; R734-E844 HydrophobicContact CG-CG 4Å; R734-P845 WeakPolarHBondContact CD-O 3.36Å; R734-E846 PolarHBondContact NE-O 3.21Å; R734-E846 PolarHBondContact NH1-O 3.38Å; R734-Y848 HydrophobicContact CG-CD2 3.81Å; R734-Y848 HydrophobicContact CG-CE2 3.81Å
735	K	94.6	Very high	93.3	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.013	12%	0.115	C	C	.	.	H	α-helix	trans	-56	-43.1	171.4	-82.2	-173.4	-176.5	-46.2	0	112.8	P731 G732 T739 V758 S762 Y764 E844 F1576	P731-K735 PolarHBondContact O-N 2.96Å; G732-K735 PolarHBondContact O-N 3.42Å; K735-T739 PolarHBondContact O-N 2.87Å; K735-T739 VanDerWaalsContact O-N 3.11Å; K735-T739 PolarHBondContact O-OG1 2.87Å; K735-V758 HydrophobicContact CB-CG1 4Å; K735-S762 WeakPolarHBondContact CB-OG 3.34Å; K735-S762 WeakPolarHBondContact CE-O 3.31Å; K735-S762 WeakPolarHBondContact CG-OG 3.39Å; K735-S762 PolarHBondContact NZ-O 3.34Å; K735-Y764 HydrophobicContact CD-CD2 3.79Å; K735-Y764 HydrophobicContact CD-CG 4.41Å; K735-E844 HydrophobicContact CG-CG 4.25Å; K735-E844 WeakPolarHBondContact CG-OE2 3.45Å; K735-E844 IonicContact NZ-OE1 2.65Å; K735-E844 PolarHBondContact NZ-OE1 2.83Å; K735-E844 IonicContact NZ-OE2 3.74Å; K735-E844 PolarHBondContact NZ-OE2 2.92Å; K735-F1576 HydrophobicContact CD-CE2 3.92Å; K735-F1576 HydrophobicContact CD-CZ 4.4Å; K735-F1576 HydrophobicContact CG-CE2 4.18Å; K735-F1576 HydrophobicContact CG-CZ 4.3Å
736	V	94.9	Very high	92.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-49.9	174.6	173.1	0	0	0	0	111.5	G732 Q733 R734 T739 C740 V758 L771 T774 I775 L778 L791	G732-V736 WeakPolarHBondContact O-CG2 3.41Å; G732-V736 PolarHBondContact O-N 2.89Å; Q733-V736 PolarHBondContact O-N 3.3Å; R734-V736 VanDerWaalsContact C-N 3.33Å; R734-V736 PolarHBondContact O-N 2.97Å; V736-T739 PolarHBondContact O-N 3.01Å; V736-C740 PolarHBondContact O-N 3.45Å; V736-C740 PolarHBondContact O-SG 2.59Å; V736-C740 VanDerWaalsContact O-SG 3.37Å; V736-V758 HydrophobicContact CG2-CG1 4.33Å; V736-V758 HydrophobicContact CG2-CG2 4.38Å; V736-L771 HydrophobicContact CG2-CD1 3.75Å; V736-T774 HydrophobicContact CG2-CG2 4.25Å; V736-I775 HydrophobicContact CG1-CG1 3.83Å; V736-I775 HydrophobicContact CG2-CD1 4.43Å; V736-I775 HydrophobicContact CG2-CG1 3.78Å; V736-L778 HydrophobicContact CB-CD1 4.22Å; V736-L778 HydrophobicContact CG1-CD1 4Å; V736-L791 HydrophobicContact CG1-CD1 4.06Å
737	L	95	Very high	92.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-42.5	179.3	-68.1	-169.5	0	0	0	112.9	L729 Q733 R734 T739 C740 F741 L790 L817 T821 F825	L729-L737 HydrophobicContact CD1-CD1 3.54Å; L729-L737 HydrophobicContact CD1-CG 4.39Å; Q733-L737 PolarHBondContact O-N 2.95Å; Q733-L737 VanDerWaalsContact O-N 3.11Å; R734-L737 PolarHBondContact O-N 3.03Å; L737-T739 VanDerWaalsContact C-N 3.28Å; L737-T739 PolarHBondContact O-N 3.14Å; L737-C740 PolarHBondContact O-N 3.26Å; L737-F741 HydrophobicContact CB-CE2 4.1Å; L737-F741 HydrophobicContact CB-CZ 4.24Å; L737-F741 HydrophobicContact CD1-CZ 4.37Å; L737-F741 WeakPolarHBondContact O-CB 3.4Å; L737-F741 WeakPolarHBondContact O-CD2 3.49Å; L737-F741 WeakPolarHBondContact O-CG 3.32Å; L737-F741 PolarHBondContact O-N 3.28Å; L737-L790 HydrophobicContact CD1-CD1 3.93Å; L737-L790 HydrophobicContact CD2-CB 4.31Å; L737-L790 HydrophobicContact CD2-CD1 4.41Å; L737-L817 HydrophobicContact CD2-CD1 4.43Å; L737-T821 HydrophobicContact CD2-CG2 4.43Å; L737-F825 HydrophobicContact CD1-CD2 4.44Å; L737-F825 HydrophobicContact CD1-CE2 3.89Å; L737-F825 HydrophobicContact CD1-CZ 4.15Å
738	Y	94.6	Very high	92.6	Very high	17 Å²	17	46.6 Å²	46.6	7%	0.067	21%	0.208	C	C	.	.	H	α-helix	trans	-54.7	-46.2	175.9	170.2	-123.1	0	0	0	111.4	R734 F741 K742 M761 Y835 K842 I843 E844 Y848	R734-Y738 WeakPolarHBondContact O-CB 3.4Å; R734-Y738 PolarHBondContact O-N 2.99Å; Y738-F741 PolarHBondContact O-N 3.22Å; Y738-K742 HydrophobicContact CE1-CD 4.35Å; Y738-K742 HydrophobicContact CE2-CD 4.3Å; Y738-K742 VanDerWaalsContact O-CB 3.28Å; Y738-K742 WeakPolarHBondContact O-CB 3.41Å; Y738-K742 PolarHBondContact O-N 3.42Å; Y738-K742 PolarHBondContact OH-NZ 2.86Å; Y738-M761 WeakPolarHBondContact CE1-O 3.45Å; Y738-Y835 HydrophobicContact CE2-CE1 4.3Å; Y738-K842 PolarHBondContact OH-O 2.68Å; Y738-I843 VanDerWaalsContact CZ-O 3.3Å; Y738-E844 HydrophobicContact CD1-CB 3.94Å; Y738-E844 HydrophobicContact CD2-CB 4.47Å; Y738-E844 HydrophobicContact CG-CB 3.74Å; Y738-Y848 WeakPolarHBondContact CA-OH 3.02Å
739	T	94.1	Very high	92.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-43.9	177.3	-52.6	0	0	0	0	112	K735 V736 L737 F741 K742 R743 V758 M761	K735-T739 PolarHBondContact O-N 2.87Å; K735-T739 VanDerWaalsContact O-N 3.11Å; K735-T739 PolarHBondContact O-OG1 2.87Å; V736-T739 PolarHBondContact O-N 3.01Å; L737-T739 VanDerWaalsContact C-N 3.28Å; L737-T739 PolarHBondContact O-N 3.14Å; T739-F741 VanDerWaalsContact C-N 3.29Å; T739-F741 PolarHBondContact O-N 2.86Å; T739-K742 PolarHBondContact O-N 3.06Å; T739-R743 HydrophobicContact CG2-CG 4.19Å; T739-R743 VanDerWaalsContact O-CB 3.32Å; T739-R743 WeakPolarHBondContact O-CB 3.14Å; T739-R743 VanDerWaalsContact O-CG 3.3Å; T739-R743 WeakPolarHBondContact O-CG 3.3Å; T739-R743 PolarHBondContact O-N 2.91Å; T739-V758 HydrophobicContact CG2-CB 4.3Å; T739-V758 HydrophobicContact CG2-CG2 3.68Å; T739-V758 WeakPolarHBondContact OG1-CA 3.4Å; T739-M761 HydrophobicContact CG2-CB 4.21Å; T739-M761 HydrophobicContact CG2-SD 4.04Å
740	C	94.3	Very high	92.6	Very high	11 Å²	11	50.3 Å²	50.3	7%	0.074	22%	0.223	C	C	.	.	H	α-helix	trans	-61.4	-35.9	174.6	-72.2	0	0	0	0	112.7	V736 L737 N744 L817	V736-C740 PolarHBondContact O-N 3.45Å; V736-C740 PolarHBondContact O-SG 2.59Å; V736-C740 VanDerWaalsContact O-SG 3.37Å; L737-C740 PolarHBondContact O-N 3.26Å; C740-N744 WeakPolarHBondContact O-CA 3.49Å; C740-N744 PolarHBondContact O-N 3.31Å; C740-L817 HydrophobicContact CB-CD1 4.22Å
741	F	93.8	Very high	92.7	Very high	12 Å²	12	48 Å²	48	5%	0.053	21%	0.213	C	C	.	.	H	α-helix	trans	-72.4	-42.4	176.4	-66.3	-18.7	0	0	0	112.1	L737 Y738 T739 L817 T821 R822 F825 Y848	L737-F741 HydrophobicContact CB-CE2 4.1Å; L737-F741 HydrophobicContact CB-CZ 4.24Å; L737-F741 HydrophobicContact CD1-CZ 4.37Å; L737-F741 WeakPolarHBondContact O-CB 3.4Å; L737-F741 WeakPolarHBondContact O-CD2 3.49Å; L737-F741 WeakPolarHBondContact O-CG 3.32Å; L737-F741 PolarHBondContact O-N 3.28Å; Y738-F741 PolarHBondContact O-N 3.22Å; T739-F741 VanDerWaalsContact C-N 3.29Å; T739-F741 PolarHBondContact O-N 2.86Å; F741-L817 HydrophobicContact CD1-CD1 4.46Å; F741-L817 HydrophobicContact CD1-CD2 3.78Å; F741-L817 HydrophobicContact CE1-CD1 4.03Å; F741-L817 HydrophobicContact CE1-CD2 3.89Å; F741-T821 HydrophobicContact CE1-CG2 4.2Å; F741-T821 HydrophobicContact CZ-CG2 4.27Å; F741-R822 VanDerWaalsContact CD1-CZ 3.49Å; F741-F825 HydrophobicContact CE2-CB 4.23Å; F741-F825 HydrophobicContact CE2-CG 4.49Å; F741-F825 HydrophobicContact CZ-CB 3.83Å; F741-F825 HydrophobicContact CZ-CD2 4.1Å; F741-F825 HydrophobicContact CZ-CG 4.1Å; F741-Y848 AromaticContact CD2-CE1 3.74Å; F741-Y848 HydrophobicContact CD2-CE1 3.74Å; F741-Y848 HydrophobicContact CD2-CE2 4.5Å; F741-Y848 AromaticContact CD2-CZ 3.72Å; F741-Y848 HydrophobicContact CE2-CD1 4.1Å; F741-Y848 AromaticContact CE2-CE1 3.7Å; F741-Y848 HydrophobicContact CE2-CE1 3.7Å; F741-Y848 HydrophobicContact CE2-CE2 4.31Å; F741-Y848 AromaticContact CE2-CZ 3.84Å
742	K	91.2	Very high	92.8	Very high	112 Å²	112	48.7 Å²	48.7	49%	0.487	22%	0.219	S	C	.	.	H	α-helix	trans	-66.7	-42.6	177.7	-170.9	174	-176.8	172.8	0	112.1	Y738 T739	Y738-K742 HydrophobicContact CE1-CD 4.35Å; Y738-K742 HydrophobicContact CE2-CD 4.3Å; Y738-K742 VanDerWaalsContact O-CB 3.28Å; Y738-K742 WeakPolarHBondContact O-CB 3.41Å; Y738-K742 PolarHBondContact O-N 3.42Å; Y738-K742 PolarHBondContact OH-NZ 2.86Å; T739-K742 PolarHBondContact O-N 3.06Å
743	R	90.6	Very high	92.9	Very high	82 Å²	82	54.1 Å²	54.1	31%	0.309	24%	0.244	S	C	.	.	H	α-helix	trans	-73.5	-36.6	175.6	-68.1	176.1	56.4	84.6	27.7	112.9	T739 D745 S757 M761	T739-R743 HydrophobicContact CG2-CG 4.19Å; T739-R743 VanDerWaalsContact O-CB 3.32Å; T739-R743 WeakPolarHBondContact O-CB 3.14Å; T739-R743 VanDerWaalsContact O-CG 3.3Å; T739-R743 WeakPolarHBondContact O-CG 3.3Å; T739-R743 PolarHBondContact O-N 2.91Å; R743-D745 WeakPolarHBondContact CB-OD2 3.43Å; R743-D745 IonicContact CZ-OD2 3.38Å; R743-D745 VanDerWaalsContact CZ-OD2 3.25Å; R743-D745 IonicContact NE-OD2 3.51Å; R743-D745 PolarHBondContact NE-OD2 3.18Å; R743-D745 IonicContact NH2-OD1 2.84Å; R743-D745 PolarHBondContact NH2-OD1 2.95Å; R743-D745 IonicContact NH2-OD2 2.63Å; R743-D745 PolarHBondContact NH2-OD2 2.87Å; R743-D745 PolarHBondContact O-N 3.42Å; R743-D745 VanDerWaalsContact O-N 3.08Å; R743-S757 PolarHBondContact NH1-OG 3.04Å; R743-M761 HydrophobicContact CG-CE 4.08Å; R743-M761 HydrophobicContact CG-SD 3.67Å
744	N	87.5	Confident	92.9	Very high	80 Å²	80	52.1 Å²	52.1	43%	0.428	24%	0.235	S	C	.	.			trans	55.6	24.2	178.2	-163.6	21.7	0	0	0	114.7	C740 K746	C740-N744 WeakPolarHBondContact O-CA 3.49Å; C740-N744 PolarHBondContact O-N 3.31Å; N744-K746 VanDerWaalsContact O-CE 3.29Å; N744-K746 WeakPolarHBondContact O-CE 3.3Å; N744-K746 PolarHBondContact O-NZ 2.79Å; N744-K746 VanDerWaalsContact O-NZ 3.08Å; N744-K746 PolarHBondContact OD1-NZ 3.22Å
745	D	86.5	Confident	92.8	Very high	52 Å²	52	51.5 Å²	51.5	28%	0.278	23%	0.233	S	C	.	.			trans	-49.5	137.3	-173.8	-72.3	-60.2	0	0	0	112.5	R743 L816	R743-D745 WeakPolarHBondContact CB-OD2 3.43Å; R743-D745 IonicContact CZ-OD2 3.38Å; R743-D745 VanDerWaalsContact CZ-OD2 3.25Å; R743-D745 IonicContact NE-OD2 3.51Å; R743-D745 PolarHBondContact NE-OD2 3.18Å; R743-D745 IonicContact NH2-OD1 2.84Å; R743-D745 PolarHBondContact NH2-OD1 2.95Å; R743-D745 IonicContact NH2-OD2 2.63Å; R743-D745 PolarHBondContact NH2-OD2 2.87Å; R743-D745 PolarHBondContact O-N 3.42Å; R743-D745 VanDerWaalsContact O-N 3.08Å; D745-L816 WeakPolarHBondContact O-CD1 3.47Å
746	K	85.7	Confident	92.7	Very high	157 Å²	157	52.6 Å²	52.6	68%	0.683	25%	0.245	S	C	*	.	S	Bend	trans	-106	3.3	173.1	-52.9	-55.6	172.2	-145.5	0	113.3	N744	N744-K746 VanDerWaalsContact O-CE 3.29Å; N744-K746 WeakPolarHBondContact O-CE 3.3Å; N744-K746 PolarHBondContact O-NZ 2.79Å; N744-K746 VanDerWaalsContact O-NZ 3.08Å; N744-K746 PolarHBondContact OD1-NZ 3.22Å
747	R	91.1	Very high	92.6	Very high	212 Å²	212	53.3 Å²	53.3	80%	0.8	25%	0.25	S	C	*	.	S	Bend	trans	-121.2	149.9	178.7	-64	-179.4	-179.2	175.4	0.3	108.5
748	E	93.4	Very high	92.5	Very high	105 Å²	105	53.3 Å²	53.3	49%	0.491	25%	0.25	S	C	.	.			trans	-60.6	142.9	174.3	64.4	-176.7	-155.4	0	0	111.9	I794 F814 T815	E748-I794 HydrophobicContact CB-CD1 3.82Å; E748-F814 HydrophobicContact CB-CB 4.18Å; E748-F814 HydrophobicContact CB-CD1 4.35Å; E748-F814 HydrophobicContact CG-CB 4.46Å; E748-F814 HydrophobicContact CG-CD1 3.92Å; E748-T815 WeakPolarHBondContact CA-O 3.45Å
749	V	94.3	Very high	92.2	Very high	22 Å²	22	53.7 Å²	53.7	13%	0.133	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.3	179.1	60.8	0	0	0	0	109.8	Q753 L754 F814 T815	V749-Q753 HydrophobicContact CG2-CB 3.97Å; V749-L754 HydrophobicContact CG1-CB 4.06Å; V749-L754 HydrophobicContact CG1-CD1 4.5Å; V749-L754 HydrophobicContact CG1-CD2 4.3Å; V749-L754 HydrophobicContact CG2-CB 4.35Å; V749-F814 CarbonylContact O-C 3.55Å; V749-F814 VanDerWaalsContact O-CA 3.3Å; V749-F814 WeakPolarHBondContact O-CA 3.22Å; V749-T815 HydrophobicContact CG1-CG2 4.4Å; V749-T815 PolarHBondContact N-O 3.37Å; V749-T815 PolarHBondContact O-N 2.73Å
750	K	95.1	Very high	91.9	Very high	75 Å²	75	60.2 Å²	60.2	33%	0.326	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	140.7	176.4	-64.4	-176.4	175.2	-170.7	0	110.6	A752 Q753 L754 I813 F814	K750-A752 PolarHBondContact O-N 3.25Å; K750-Q753 HydrophobicContact CB-CB 4.32Å; K750-Q753 HydrophobicContact CB-CG 4.11Å; K750-Q753 WeakPolarHBondContact O-CA 3.28Å; K750-Q753 PolarHBondContact O-N 3.26Å; K750-L754 PolarHBondContact O-N 2.96Å; K750-I813 WeakPolarHBondContact CA-O 3.28Å; K750-F814 HydrophobicContact CD-CE1 4.27Å; K750-F814 HydrophobicContact CD-CZ 4.16Å; K750-F814 HydrophobicContact CG-CD1 3.7Å; K750-F814 HydrophobicContact CG-CD2 4.4Å; K750-F814 HydrophobicContact CG-CE1 3.43Å; K750-F814 VanDerWaalsContact CG-CE1 3.43Å; K750-F814 HydrophobicContact CG-CE2 4.16Å; K750-F814 HydrophobicContact CG-CG 4.21Å; K750-F814 HydrophobicContact CG-CZ 3.7Å
751	V	95.3	Very high	91.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.5	-40.7	-179.5	173.7	0	0	0	0	111.8	Q753 L754 A755 M772 I775 V776 F797 P810 I813 T815	V751-Q753 PolarHBondContact O-N 2.98Å; V751-L754 PolarHBondContact O-N 2.81Å; V751-A755 WeakPolarHBondContact O-CB 3.41Å; V751-A755 PolarHBondContact O-N 2.94Å; V751-M772 HydrophobicContact CG1-CB 4.18Å; V751-M772 HydrophobicContact CG1-CG 4.37Å; V751-I775 HydrophobicContact CB-CG2 4.31Å; V751-I775 HydrophobicContact CG1-CB 3.93Å; V751-I775 HydrophobicContact CG1-CD1 4.3Å; V751-I775 HydrophobicContact CG1-CG2 3.69Å; V751-I775 HydrophobicContact CG2-CG2 3.93Å; V751-V776 HydrophobicContact CG1-CG2 4.32Å; V751-F797 HydrophobicContact CG2-CE1 3.94Å; V751-F797 HydrophobicContact CG2-CZ 3.68Å; V751-P810 HydrophobicContact CB-CB 4.03Å; V751-P810 HydrophobicContact CG1-CB 3.88Å; V751-P810 HydrophobicContact CG1-CG 4.35Å; V751-I813 HydrophobicContact CB-CD1 4.42Å; V751-I813 HydrophobicContact CB-CG1 4.21Å; V751-I813 HydrophobicContact CG2-CD1 3.91Å; V751-I813 HydrophobicContact CG2-CG1 3.83Å; V751-I813 PolarHBondContact N-O 3.44Å; V751-T815 HydrophobicContact CG2-CG2 4.31Å
752	A	94.4	Very high	91.3	Very high	24 Å²	24	61.7 Å²	61.7	20%	0.198	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-33.1	175.3	0	0	0	0	0	114.1	K750 G756 M772 P810 R811	K750-A752 PolarHBondContact O-N 3.25Å; A752-G756 PolarHBondContact O-N 2.63Å; A752-M772 HydrophobicContact CB-CE 4.02Å; A752-M772 HydrophobicContact CB-SD 4.23Å; A752-P810 HydrophobicContact CB-CB 4.24Å; A752-P810 WeakPolarHBondContact CB-O 3.36Å; A752-P810 PolarHBondContact N-O 3.17Å; A752-R811 HydrophobicContact CB-CG 4.21Å
753	Q	94	Very high	90.9	Very high	115 Å²	115	56.9 Å²	56.9	54%	0.537	27%	0.274	S	S	.	.	H	α-helix	trans	-76.9	-35	177.1	-67	178	-72.9	0	0	111.7	V749 K750 V751 S757	V749-Q753 HydrophobicContact CG2-CB 3.97Å; K750-Q753 HydrophobicContact CB-CB 4.32Å; K750-Q753 HydrophobicContact CB-CG 4.11Å; K750-Q753 WeakPolarHBondContact O-CA 3.28Å; K750-Q753 PolarHBondContact O-N 3.26Å; V751-Q753 PolarHBondContact O-N 2.98Å; Q753-S757 PolarHBondContact O-N 3.44Å; Q753-S757 PolarHBondContact O-OG 2.79Å
754	L	94.7	Very high	90.4	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-43.3	172.1	-178.1	58.8	0	0	0	110.9	V749 K750 V751 G756 S757 V758 I775 T815	V749-L754 HydrophobicContact CG1-CB 4.06Å; V749-L754 HydrophobicContact CG1-CD1 4.5Å; V749-L754 HydrophobicContact CG1-CD2 4.3Å; V749-L754 HydrophobicContact CG2-CB 4.35Å; K750-L754 PolarHBondContact O-N 2.96Å; V751-L754 PolarHBondContact O-N 2.81Å; L754-G756 PolarHBondContact O-N 3.24Å; L754-S757 WeakPolarHBondContact O-CB 3.15Å; L754-S757 PolarHBondContact O-N 3.35Å; L754-S757 VanDerWaalsContact O-N 3.16Å; L754-V758 HydrophobicContact CD1-CG2 4.17Å; L754-V758 HydrophobicContact CG-CG2 4.29Å; L754-V758 WeakPolarHBondContact O-CG2 3.38Å; L754-V758 PolarHBondContact O-N 3.43Å; L754-I775 HydrophobicContact CB-CD1 4.24Å; L754-I775 HydrophobicContact CD2-CD1 4.12Å; L754-I775 HydrophobicContact CD2-CG1 4.36Å; L754-I775 HydrophobicContact CD2-CG2 4.17Å; L754-I775 HydrophobicContact CG-CD1 3.97Å; L754-T815 HydrophobicContact CD2-CG2 3.66Å
755	A	94.1	Very high	89.8	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.4	-48.5	176	0	0	0	0	0	112.3	V751 S757 V758 A759 L771 M772 I775	V751-A755 WeakPolarHBondContact O-CB 3.41Å; V751-A755 PolarHBondContact O-N 2.94Å; A755-S757 VanDerWaalsContact C-N 3.34Å; A755-S757 PolarHBondContact O-N 3.1Å; A755-V758 PolarHBondContact O-N 2.86Å; A755-V758 VanDerWaalsContact O-N 3.17Å; A755-A759 PolarHBondContact O-N 3.44Å; A755-L771 HydrophobicContact CB-CB 4.49Å; A755-L771 HydrophobicContact CB-CD2 4.39Å; A755-L771 HydrophobicContact CB-CG 4.42Å; A755-L771 WeakPolarHBondContact O-CD2 3.4Å; A755-M772 HydrophobicContact CB-CE 4.15Å; A755-M772 HydrophobicContact CB-CG 3.53Å; A755-I775 HydrophobicContact CB-CD1 4.02Å
756	G	92.2	Very high	89.1	Confident	25 Å²	25	53.4 Å²	53.4	26%	0.258	26%	0.257	S	S	.	.	H	α-helix	trans	-59.6	-41.8	173.9	0	0	0	0	0	113	A752 L754 V758 A759 E760	A752-G756 PolarHBondContact O-N 2.63Å; L754-G756 PolarHBondContact O-N 3.24Å; G756-V758 VanDerWaalsContact C-N 3.31Å; G756-V758 PolarHBondContact O-N 3.4Å; G756-A759 PolarHBondContact O-N 3.45Å; G756-E760 PolarHBondContact O-N 2.83Å
757	S	92.8	Very high	88.4	Confident	15 Å²	15	48.7 Å²	48.7	11%	0.105	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-35.6	175.3	-55.9	0	0	0	0	112.8	R743 Q753 L754 A755 M761	R743-S757 PolarHBondContact NH1-OG 3.04Å; Q753-S757 PolarHBondContact O-N 3.44Å; Q753-S757 PolarHBondContact O-OG 2.79Å; L754-S757 WeakPolarHBondContact O-CB 3.15Å; L754-S757 PolarHBondContact O-N 3.35Å; L754-S757 VanDerWaalsContact O-N 3.16Å; A755-S757 VanDerWaalsContact C-N 3.34Å; A755-S757 PolarHBondContact O-N 3.1Å; S757-M761 VanDerWaalsContact O-CB 3.26Å; S757-M761 WeakPolarHBondContact O-CB 3.43Å; S757-M761 VanDerWaalsContact O-CG 3.29Å; S757-M761 WeakPolarHBondContact O-CG 3.45Å; S757-M761 PolarHBondContact O-N 3.35Å
758	V	92.9	Very high	88.1	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-72.8	-39.1	177.6	176.8	0	0	0	0	110.3	K735 V736 T739 L754 A755 G756 E760 S762 L771	K735-V758 HydrophobicContact CB-CG1 4Å; V736-V758 HydrophobicContact CG2-CG1 4.33Å; V736-V758 HydrophobicContact CG2-CG2 4.38Å; T739-V758 HydrophobicContact CG2-CB 4.3Å; T739-V758 HydrophobicContact CG2-CG2 3.68Å; T739-V758 WeakPolarHBondContact OG1-CA 3.4Å; L754-V758 HydrophobicContact CD1-CG2 4.17Å; L754-V758 HydrophobicContact CG-CG2 4.29Å; L754-V758 WeakPolarHBondContact O-CG2 3.38Å; L754-V758 PolarHBondContact O-N 3.43Å; A755-V758 PolarHBondContact O-N 2.86Å; A755-V758 VanDerWaalsContact O-N 3.17Å; G756-V758 VanDerWaalsContact C-N 3.31Å; G756-V758 PolarHBondContact O-N 3.4Å; V758-E760 VanDerWaalsContact C-N 3.34Å; V758-E760 PolarHBondContact O-N 2.98Å; V758-S762 WeakPolarHBondContact O-CB 3.36Å; V758-S762 PolarHBondContact O-N 3.07Å; V758-S762 VanDerWaalsContact O-N 3.14Å; V758-S762 PolarHBondContact O-OG 3.17Å; V758-L771 HydrophobicContact CB-CD2 3.84Å; V758-L771 HydrophobicContact CB-CG 4.42Å; V758-L771 HydrophobicContact CG1-CD1 3.9Å; V758-L771 HydrophobicContact CG1-CD2 3.83Å; V758-L771 HydrophobicContact CG1-CG 4.24Å
759	A	89.1	Confident	87.8	Confident	26 Å²	26	41.7 Å²	41.7	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-60.8	-43.4	175.5	0	0	0	0	0	112.2	A755 G756 S763 Y764 L771	A755-A759 PolarHBondContact O-N 3.44Å; G756-A759 PolarHBondContact O-N 3.45Å; A759-S763 PolarHBondContact O-N 3.13Å; A759-Y764 PolarHBondContact O-N 3.49Å; A759-L771 HydrophobicContact CB-CD2 4.47Å
760	E	87.4	Confident	87.5	Confident	137 Å²	137	42.2 Å²	42.2	64%	0.64	25%	0.247	S	C	*	.	H	α-helix	trans	-66.3	-59.1	173.7	178.9	-179	-147.3	0	0	112.5	G756 V758 S762	G756-E760 PolarHBondContact O-N 2.83Å; V758-E760 VanDerWaalsContact C-N 3.34Å; V758-E760 PolarHBondContact O-N 2.98Å; E760-S762 VanDerWaalsContact C-N 3.29Å; E760-S762 PolarHBondContact O-N 3.13Å
761	M	88.5	Confident	87.3	Confident	53 Å²	53	38.7 Å²	38.7	26%	0.261	23%	0.231	S	C	.	.	H	α-helix	trans	-78.3	-7.2	-167.4	-65.6	-175.1	-179.9	0	0	115.2	Y738 T739 R743 S757	Y738-M761 WeakPolarHBondContact CE1-O 3.45Å; T739-M761 HydrophobicContact CG2-CB 4.21Å; T739-M761 HydrophobicContact CG2-SD 4.04Å; R743-M761 HydrophobicContact CG-CE 4.08Å; R743-M761 HydrophobicContact CG-SD 3.67Å; S757-M761 VanDerWaalsContact O-CB 3.26Å; S757-M761 WeakPolarHBondContact O-CB 3.43Å; S757-M761 VanDerWaalsContact O-CG 3.29Å; S757-M761 WeakPolarHBondContact O-CG 3.45Å; S757-M761 PolarHBondContact O-N 3.35Å
762	S	86	Confident	87.2	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.1	11.4	-177.4	76.2	0	0	0	0	114.5	K735 V758 E760 I843	K735-S762 WeakPolarHBondContact CB-OG 3.34Å; K735-S762 WeakPolarHBondContact CE-O 3.31Å; K735-S762 WeakPolarHBondContact CG-OG 3.39Å; K735-S762 PolarHBondContact NZ-O 3.34Å; V758-S762 WeakPolarHBondContact O-CB 3.36Å; V758-S762 PolarHBondContact O-N 3.07Å; V758-S762 VanDerWaalsContact O-N 3.14Å; V758-S762 PolarHBondContact O-OG 3.17Å; E760-S762 VanDerWaalsContact C-N 3.29Å; E760-S762 PolarHBondContact O-N 3.13Å; S762-I843 WeakPolarHBondContact O-CG2 3.35Å
763	S	83	Confident	87.2	Confident	11 Å²	11	41.2 Å²	41.2	8%	0.077	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	62.6	179.7	-51.1	0	0	0	0	112.6	A759 H765 D838	A759-S763 PolarHBondContact O-N 3.13Å; S763-H765 PolarHBondContact O-CD2 2.72Å; S763-H765 PolarHBondContact O-NE2 3.11Å; S763-D838 WeakPolarHBondContact CB-OD2 3.23Å
764	Y	80.7	Confident	87.2	Confident	14 Å²	14	36.8 Å²	36.8	6%	0.055	23%	0.228	C	C	.	.			trans	-96.4	111.1	176.8	-176.1	-104.9	0	0	0	110.9	K735 A759 H766 S770 L771 D1574	K735-Y764 HydrophobicContact CD-CD2 3.79Å; K735-Y764 HydrophobicContact CD-CG 4.41Å; A759-Y764 PolarHBondContact O-N 3.49Å; Y764-H766 VanDerWaalsContact C-N 3.32Å; Y764-H766 HydrophobicContact CD1-CB 4.25Å; Y764-H766 WeakPolarHBondContact CD1-O 3.36Å; Y764-H766 HydrophobicContact CE1-CB 3.63Å; Y764-H766 WeakPolarHBondContact CE1-O 3.41Å; Y764-H766 HydrophobicContact CE2-CB 4.33Å; Y764-H766 AromaticContact CE2-CD2 3.85Å; Y764-H766 PolarHBondContact O-N 3.32Å; Y764-S770 WeakPolarHBondContact OH-CB 3.2Å; Y764-S770 PolarHBondContact OH-OG 3.06Å; Y764-L771 HydrophobicContact CD1-CB 4.36Å; Y764-L771 HydrophobicContact CD1-CD1 4.36Å; Y764-L771 HydrophobicContact CD1-CD2 3.7Å; Y764-L771 HydrophobicContact CD1-CG 4.4Å; Y764-L771 HydrophobicContact CE1-CB 3.83Å; Y764-L771 HydrophobicContact CE1-CD1 4.19Å; Y764-L771 HydrophobicContact CE1-CD2 4.02Å; Y764-L771 HydrophobicContact CE1-CG 4.26Å; Y764-L771 HydrophobicContact CE2-CD1 4.43Å; Y764-L771 HydrophobicContact CG-CD2 4.23Å; Y764-D1574 WeakPolarHBondContact CE2-OD1 3.26Å; Y764-D1574 PolarHBondContact OH-OD1 3.23Å
765	H	73.8	Confident	87.3	Confident	87 Å²	87	36.6 Å²	36.6	40%	0.403	23%	0.228	S	C	.	.			trans	-88.3	11.3	-169.4	-56	-73.2	0	0	0	114.8	K621 S763 D838 D839	K621-H765 PolarHBondContact NZ-CE1 3.44Å; K621-H765 PolarHBondContact NZ-NE2 3.16Å; S763-H765 PolarHBondContact O-CD2 2.72Å; S763-H765 PolarHBondContact O-NE2 3.11Å; H765-D838 IonicContact CD2-OD2 2.68Å; H765-D838 IonicContact CE1-OD2 3.23Å; H765-D838 IonicContact NE2-OD2 2.7Å; H765-D838 PolarHBondContact NE2-OD2 2.82Å; H765-D839 IonicContact CE1-OD2 2.76Å; H765-D839 PolarHBondContact CE1-OD2 3.07Å; H765-D839 VanDerWaalsContact CE1-OD2 3.3Å; H765-D839 IonicContact NE2-OD2 2.78Å
766	H	71.9	Confident	87.4	Confident	41 Å²	41	37 Å²	37	19%	0.19	23%	0.23	C	C	.	.	S	Bend	trans	-112.4	162.9	-175.3	-51.1	-70.8	0	0	0	111.7	Y764 E768 A1575	Y764-H766 VanDerWaalsContact C-N 3.32Å; Y764-H766 HydrophobicContact CD1-CB 4.25Å; Y764-H766 WeakPolarHBondContact CD1-O 3.36Å; Y764-H766 HydrophobicContact CE1-CB 3.63Å; Y764-H766 WeakPolarHBondContact CE1-O 3.41Å; Y764-H766 HydrophobicContact CE2-CB 4.33Å; Y764-H766 AromaticContact CE2-CD2 3.85Å; Y764-H766 PolarHBondContact O-N 3.32Å; H766-E768 PolarHBondContact O-N 3.45Å; H766-A1575 PolarHBondContact CD2-N 3.46Å; H766-A1575 WeakPolarHBondContact CE1-CB 3.38Å; H766-A1575 PolarHBondContact CE1-N 3.08Å; H766-A1575 WeakPolarHBondContact NE2-CA 3.2Å; H766-A1575 VanDerWaalsContact NE2-CB 3.31Å; H766-A1575 WeakPolarHBondContact NE2-CB 3.33Å; H766-A1575 PolarHBondContact NE2-N 3.27Å; H766-A1575 PolarHBondContact NE2-O 3.19Å
767	G	71.2	Confident	87.5	Confident	58 Å²	58	39.7 Å²	39.7	60%	0.598	24%	0.239	S	C	*	.			trans	-56.5	127	179.5	0	0	0	0	0	111.8	A769 S770	G767-A769 PolarHBondContact O-N 3.07Å; G767-S770 PolarHBondContact O-N 3.42Å
768	E	84.4	Confident	87.7	Confident	93 Å²	93	39.2 Å²	39.2	44%	0.435	24%	0.235	S	C	.	.	H	α-helix	trans	-51.6	-22.9	-177.3	-57	177.5	177.7	0	0	113.7	H766 S770 L771 M772	H766-E768 PolarHBondContact O-N 3.45Å; E768-S770 VanDerWaalsContact C-N 3.34Å; E768-S770 PolarHBondContact O-N 3.05Å; E768-L771 CarbonylContact O-C 3.49Å; E768-L771 WeakPolarHBondContact O-CB 3.5Å; E768-L771 PolarHBondContact O-N 3.46Å; E768-L771 VanDerWaalsContact O-N 3.1Å; E768-M772 HydrophobicContact CB-CE 3.77Å; E768-M772 VanDerWaalsContact O-CG 3.31Å; E768-M772 WeakPolarHBondContact O-CG 3.24Å; E768-M772 PolarHBondContact O-N 3.47Å; E768-M772 VanDerWaalsContact OE2-CE 3.29Å; E768-M772 WeakPolarHBondContact OE2-CE 3.22Å
769	A	87.6	Confident	87.8	Confident	77 Å²	77	39.2 Å²	39.2	64%	0.636	24%	0.235	S	C	*	.	H	α-helix	trans	-56.2	-42	176	0	0	0	0	0	113.3	G767 L771 M772 A773	G767-A769 PolarHBondContact O-N 3.07Å; A769-L771 VanDerWaalsContact C-N 3.3Å; A769-L771 PolarHBondContact O-N 3.21Å; A769-M772 PolarHBondContact O-N 3.01Å; A769-A773 WeakPolarHBondContact O-CB 3.45Å; A769-A773 PolarHBondContact O-N 3.41Å
770	S	87.6	Confident	88.1	Confident	33 Å²	33	38.6 Å²	38.6	23%	0.231	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-40	175.1	-178.8	0	0	0	0	111.1	Y764 G767 E768 A773 T774	Y764-S770 WeakPolarHBondContact OH-CB 3.2Å; Y764-S770 PolarHBondContact OH-OG 3.06Å; G767-S770 PolarHBondContact O-N 3.42Å; E768-S770 VanDerWaalsContact C-N 3.34Å; E768-S770 PolarHBondContact O-N 3.05Å; S770-A773 PolarHBondContact O-N 3.44Å; S770-T774 WeakPolarHBondContact O-CB 3.44Å; S770-T774 PolarHBondContact O-N 3.22Å; S770-T774 PolarHBondContact O-OG1 3.02Å
771	L	91	Very high	88.3	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.7	-41.1	-180	-160.3	57.8	0	0	0	112.1	V736 A755 V758 A759 Y764 E768 A769 T774 I775	V736-L771 HydrophobicContact CG2-CD1 3.75Å; A755-L771 HydrophobicContact CB-CB 4.49Å; A755-L771 HydrophobicContact CB-CD2 4.39Å; A755-L771 HydrophobicContact CB-CG 4.42Å; A755-L771 WeakPolarHBondContact O-CD2 3.4Å; V758-L771 HydrophobicContact CB-CD2 3.84Å; V758-L771 HydrophobicContact CB-CG 4.42Å; V758-L771 HydrophobicContact CG1-CD1 3.9Å; V758-L771 HydrophobicContact CG1-CD2 3.83Å; V758-L771 HydrophobicContact CG1-CG 4.24Å; A759-L771 HydrophobicContact CB-CD2 4.47Å; Y764-L771 HydrophobicContact CD1-CB 4.36Å; Y764-L771 HydrophobicContact CD1-CD1 4.36Å; Y764-L771 HydrophobicContact CD1-CD2 3.7Å; Y764-L771 HydrophobicContact CD1-CG 4.4Å; Y764-L771 HydrophobicContact CE1-CB 3.83Å; Y764-L771 HydrophobicContact CE1-CD1 4.19Å; Y764-L771 HydrophobicContact CE1-CD2 4.02Å; Y764-L771 HydrophobicContact CE1-CG 4.26Å; Y764-L771 HydrophobicContact CE2-CD1 4.43Å; Y764-L771 HydrophobicContact CG-CD2 4.23Å; E768-L771 CarbonylContact O-C 3.49Å; E768-L771 WeakPolarHBondContact O-CB 3.5Å; E768-L771 PolarHBondContact O-N 3.46Å; E768-L771 VanDerWaalsContact O-N 3.1Å; A769-L771 VanDerWaalsContact C-N 3.3Å; A769-L771 PolarHBondContact O-N 3.21Å; L771-T774 WeakPolarHBondContact O-CB 3.47Å; L771-T774 PolarHBondContact O-N 3.39Å; L771-I775 VanDerWaalsContact O-CG1 3.3Å; L771-I775 WeakPolarHBondContact O-CG1 3.49Å; L771-I775 PolarHBondContact O-N 3.42Å
772	M	94.5	Very high	88.5	Confident	29 Å²	29	34.4 Å²	34.4	14%	0.143	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-43.5	172.8	-68.1	-179.2	-156.9	0	0	111.5	V751 A752 A755 E768 A769 T774 I775 V776 P810	V751-M772 HydrophobicContact CG1-CB 4.18Å; V751-M772 HydrophobicContact CG1-CG 4.37Å; A752-M772 HydrophobicContact CB-CE 4.02Å; A752-M772 HydrophobicContact CB-SD 4.23Å; A755-M772 HydrophobicContact CB-CE 4.15Å; A755-M772 HydrophobicContact CB-CG 3.53Å; E768-M772 HydrophobicContact CB-CE 3.77Å; E768-M772 VanDerWaalsContact O-CG 3.31Å; E768-M772 WeakPolarHBondContact O-CG 3.24Å; E768-M772 PolarHBondContact O-N 3.47Å; E768-M772 VanDerWaalsContact OE2-CE 3.29Å; E768-M772 WeakPolarHBondContact OE2-CE 3.22Å; A769-M772 PolarHBondContact O-N 3.01Å; M772-T774 VanDerWaalsContact C-N 3.32Å; M772-T774 PolarHBondContact O-N 3.41Å; M772-I775 PolarHBondContact O-N 3.04Å; M772-V776 WeakPolarHBondContact O-CG2 3.27Å; M772-V776 PolarHBondContact O-N 2.92Å; M772-P810 HydrophobicContact CB-CB 4.09Å; M772-P810 HydrophobicContact CB-CG 3.7Å; M772-P810 HydrophobicContact CG-CB 3.99Å; M772-P810 HydrophobicContact CG-CG 4.12Å; M772-P810 HydrophobicContact SD-CB 3.45Å; M772-P810 WeakPolarHBondContact SD-CB 3.49Å; M772-P810 HydrophobicContact SD-CG 3.72Å
773	A	93.4	Very high	88.8	Confident	49 Å²	49	35 Å²	35	41%	0.405	21%	0.213	S	C	.	.	H	α-helix	trans	-63.7	-38.4	174.3	0	0	0	0	0	111.7	A769 S770 V776 N777	A769-A773 WeakPolarHBondContact O-CB 3.45Å; A769-A773 PolarHBondContact O-N 3.41Å; S770-A773 PolarHBondContact O-N 3.44Å; A773-V776 PolarHBondContact O-N 2.71Å; A773-N777 WeakPolarHBondContact O-CB 3.42Å; A773-N777 VanDerWaalsContact O-CG 3.3Å; A773-N777 PolarHBondContact O-N 2.92Å; A773-N777 PolarHBondContact O-ND2 3.45Å; A773-N777 VanDerWaalsContact O-ND2 3.13Å
774	T	94.6	Very high	89.1	Confident	21 Å²	21	35.5 Å²	35.5	13%	0.129	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-44.2	174.9	-63.7	0	0	0	0	111.7	Q733 V736 S770 L771 M772 N777 L778	Q733-T774 HydrophobicContact CB-CG2 4.34Å; Q733-T774 HydrophobicContact CG-CG2 3.65Å; V736-T774 HydrophobicContact CG2-CG2 4.25Å; S770-T774 WeakPolarHBondContact O-CB 3.44Å; S770-T774 PolarHBondContact O-N 3.22Å; S770-T774 PolarHBondContact O-OG1 3.02Å; L771-T774 WeakPolarHBondContact O-CB 3.47Å; L771-T774 PolarHBondContact O-N 3.39Å; M772-T774 VanDerWaalsContact C-N 3.32Å; M772-T774 PolarHBondContact O-N 3.41Å; T774-N777 PolarHBondContact O-N 2.8Å; T774-L778 HydrophobicContact CG2-CD1 4.25Å; T774-L778 WeakPolarHBondContact O-CG 3.23Å; T774-L778 PolarHBondContact O-N 3.02Å
775	I	95.8	Very high	89.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-43.4	175.2	-68.4	160	0	0	0	111.2	V736 V751 L754 A755 L771 M772 L778 A779 L791 T815	V736-I775 HydrophobicContact CG1-CG1 3.83Å; V736-I775 HydrophobicContact CG2-CD1 4.43Å; V736-I775 HydrophobicContact CG2-CG1 3.78Å; V751-I775 HydrophobicContact CB-CG2 4.31Å; V751-I775 HydrophobicContact CG1-CB 3.93Å; V751-I775 HydrophobicContact CG1-CD1 4.3Å; V751-I775 HydrophobicContact CG1-CG2 3.69Å; V751-I775 HydrophobicContact CG2-CG2 3.93Å; L754-I775 HydrophobicContact CB-CD1 4.24Å; L754-I775 HydrophobicContact CD2-CD1 4.12Å; L754-I775 HydrophobicContact CD2-CG1 4.36Å; L754-I775 HydrophobicContact CD2-CG2 4.17Å; L754-I775 HydrophobicContact CG-CD1 3.97Å; A755-I775 HydrophobicContact CB-CD1 4.02Å; L771-I775 VanDerWaalsContact O-CG1 3.3Å; L771-I775 WeakPolarHBondContact O-CG1 3.49Å; L771-I775 PolarHBondContact O-N 3.42Å; M772-I775 PolarHBondContact O-N 3.04Å; I775-L778 PolarHBondContact O-N 2.75Å; I775-A779 PolarHBondContact O-N 2.81Å; I775-L791 HydrophobicContact CG2-CD1 3.86Å; I775-T815 HydrophobicContact CG2-CG2 4.04Å
776	V	96.1	Very high	90.7	Very high	9 Å²	9	32.8 Å²	32.8	6%	0.055	21%	0.211	C	C	.	.	H	α-helix	trans	-62.1	-47.3	176.8	169.4	0	0	0	0	111.2	V751 M772 A773 L778 A779 H780 F797 I813	V751-V776 HydrophobicContact CG1-CG2 4.32Å; M772-V776 WeakPolarHBondContact O-CG2 3.27Å; M772-V776 PolarHBondContact O-N 2.92Å; A773-V776 PolarHBondContact O-N 2.71Å; V776-L778 VanDerWaalsContact C-N 3.32Å; V776-L778 PolarHBondContact O-N 2.73Å; V776-A779 PolarHBondContact O-N 2.75Å; V776-H780 WeakPolarHBondContact CG1-NE2 3.19Å; V776-H780 PolarHBondContact O-CD2 2.89Å; V776-H780 PolarHBondContact O-N 3.27Å; V776-H780 VanDerWaalsContact O-N 3.12Å; V776-F797 HydrophobicContact CB-CD1 4.28Å; V776-F797 HydrophobicContact CG1-CD1 4.11Å; V776-F797 HydrophobicContact CG2-CD1 4.16Å; V776-F797 HydrophobicContact CG2-CE1 4.11Å; V776-I813 HydrophobicContact CG2-CD1 3.67Å
777	N	94.8	Very high	91.8	Very high	81 Å²	81	31.1 Å²	31.1	43%	0.433	20%	0.204	S	C	.	.	H	α-helix	trans	-60.9	-36.4	177.9	-76.4	-37.6	0	0	0	113.2	A773 T774 A779 H780 N786	A773-N777 WeakPolarHBondContact O-CB 3.42Å; A773-N777 VanDerWaalsContact O-CG 3.3Å; A773-N777 PolarHBondContact O-N 2.92Å; A773-N777 PolarHBondContact O-ND2 3.45Å; A773-N777 VanDerWaalsContact O-ND2 3.13Å; T774-N777 PolarHBondContact O-N 2.8Å; N777-A779 PolarHBondContact O-N 3.37Å; N777-H780 PolarHBondContact OD1-CE1 2.93Å; N777-H780 PolarHBondContact OD1-ND1 2.85Å; N777-N786 PolarHBondContact O-ND2 2.88Å
778	L	96.4	Very high	93	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-71	-15.2	175.1	-72.8	172.8	0	0	0	113.9	Q733 V736 T774 I775 V776 L790 L791	Q733-L778 HydrophobicContact CB-CD1 4.15Å; Q733-L778 HydrophobicContact CB-CD2 4.38Å; Q733-L778 HydrophobicContact CG-CD1 4.23Å; Q733-L778 HydrophobicContact CG-CD2 4.16Å; Q733-L778 HydrophobicContact CG-CG 4.35Å; V736-L778 HydrophobicContact CB-CD1 4.22Å; V736-L778 HydrophobicContact CG1-CD1 4Å; T774-L778 HydrophobicContact CG2-CD1 4.25Å; T774-L778 WeakPolarHBondContact O-CG 3.23Å; T774-L778 PolarHBondContact O-N 3.02Å; I775-L778 PolarHBondContact O-N 2.75Å; V776-L778 VanDerWaalsContact C-N 3.32Å; V776-L778 PolarHBondContact O-N 2.73Å; L778-L790 HydrophobicContact CD2-CD1 4.29Å; L778-L790 PolarHBondContact O-N 3.38Å; L778-L791 HydrophobicContact CB-CD1 4.05Å; L778-L791 HydrophobicContact CB-CG 4.24Å; L778-L791 PolarHBondContact O-N 3.03Å
779	A	96.4	Very high	93.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-101.4	-16.8	179.2	0	0	0	0	0	114.2	I775 V776 N777 N781 L791 P793 F797	I775-A779 PolarHBondContact O-N 2.81Å; V776-A779 PolarHBondContact O-N 2.75Å; N777-A779 PolarHBondContact O-N 3.37Å; A779-N781 PolarHBondContact O-N 2.72Å; A779-L791 WeakPolarHBondContact CA-O 3.49Å; A779-L791 HydrophobicContact CB-CB 4.04Å; A779-P793 HydrophobicContact CB-CB 4.23Å; A779-P793 WeakPolarHBondContact O-CB 3.41Å; A779-P793 WeakPolarHBondContact O-CD 3.45Å; A779-P793 WeakPolarHBondContact O-CG 3.49Å; A779-F797 HydrophobicContact CB-CD1 3.52Å; A779-F797 HydrophobicContact CB-CE1 3.55Å; A779-F797 HydrophobicContact CB-CG 4.36Å; A779-F797 HydrophobicContact CB-CZ 4.44Å
780	H	94.6	Very high	93.9	Very high	12 Å²	12	20.7 Å²	20.7	6%	0.056	13%	0.127	C	C	.	.			trans	-51.3	131	178.6	-71.2	165.8	0	0	0	112.6	V776 N777 F782 S785 N786 F797	V776-H780 WeakPolarHBondContact CG1-NE2 3.19Å; V776-H780 PolarHBondContact O-CD2 2.89Å; V776-H780 PolarHBondContact O-N 3.27Å; V776-H780 VanDerWaalsContact O-N 3.12Å; N777-H780 PolarHBondContact OD1-CE1 2.93Å; N777-H780 PolarHBondContact OD1-ND1 2.85Å; H780-F782 HydrophobicContact CB-CD1 4.33Å; H780-F782 HydrophobicContact CB-CE1 3.88Å; H780-F782 HydrophobicContact CB-CZ 4.43Å; H780-F782 AromaticContact CD2-CE1 3.77Å; H780-F782 AromaticContact CG-CE1 3.62Å; H780-F782 AromaticContact ND1-CE1 3.86Å; H780-F782 AromaticContact ND1-CZ 3.96Å; H780-S785 PolarHBondContact O-OG 3.12Å; H780-N786 PolarHBondContact O-ND2 2.97Å; H780-F797 PolarHBondContact CD2-O 2.86Å; H780-F797 PolarHBondContact NE2-O 2.99Å
781	N	93	Very high	94.3	Very high	85 Å²	85	19.1 Å²	19.1	46%	0.455	12%	0.116	S	C	.	.			trans	-125.8	4.2	-176.5	67.7	-15.8	0	0	0	114.3	A779 P793	A779-N781 PolarHBondContact O-N 2.72Å; N781-P793 HydrophobicContact CB-CG 4.21Å
782	F	91.9	Very high	94.5	Very high	17 Å²	17	20.2 Å²	20.2	8%	0.075	12%	0.121	C	C	.	.	S	Bend	trans	-79.9	156.7	-179.6	59.8	-100.4	0	0	0	112.4	H780 G784 S785 R800 G803 W938	H780-F782 HydrophobicContact CB-CD1 4.33Å; H780-F782 HydrophobicContact CB-CE1 3.88Å; H780-F782 HydrophobicContact CB-CZ 4.43Å; H780-F782 AromaticContact CD2-CE1 3.77Å; H780-F782 AromaticContact CG-CE1 3.62Å; H780-F782 AromaticContact ND1-CE1 3.86Å; H780-F782 AromaticContact ND1-CZ 3.96Å; F782-G784 PolarHBondContact O-N 2.97Å; F782-S785 PolarHBondContact N-OG 3.27Å; F782-S785 WeakPolarHBondContact O-CB 3.41Å; F782-S785 PolarHBondContact O-N 3.09Å; F782-S785 PolarHBondContact O-OG 3.2Å; F782-R800 HydrophobicContact CB-CB 4.35Å; F782-G803 WeakPolarHBondContact CZ-O 3.22Å; F782-W938 HydrophobicContact CD2-CZ3 4.3Å; F782-W938 HydrophobicContact CE2-CH2 4.05Å; F782-W938 AromaticContact CE2-CZ3 3.86Å; F782-W938 HydrophobicContact CE2-CZ3 3.86Å
783	V	92	Very high	94.4	Very high	13 Å²	13	20.2 Å²	20.2	8%	0.079	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	122.2	-178.2	-176.8	0	0	0	0	111.1	N901 F902 I935	V783-N901 HydrophobicContact CG2-CB 3.82Å; V783-F902 HydrophobicContact CG1-CB 3.69Å; V783-F902 HydrophobicContact CG1-CD2 3.94Å; V783-F902 HydrophobicContact CG1-CG 4.29Å; V783-I935 HydrophobicContact CG1-CD1 4.05Å
784	G	89.8	Confident	94.4	Very high	22 Å²	22	20.7 Å²	20.7	23%	0.227	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	1.2	-175.9	0	0	0	0	0	115	F782	F782-G784 PolarHBondContact O-N 2.97Å
785	S	93	Very high	94.2	Very high	19 Å²	19	22.3 Å²	22.3	13%	0.133	14%	0.139	C	C	.	.	S	Bend	trans	-98.4	-130.3	168.4	69	0	0	0	0	111.4	H780 F782 N873	H780-S785 PolarHBondContact O-OG 3.12Å; F782-S785 PolarHBondContact N-OG 3.27Å; F782-S785 WeakPolarHBondContact O-CB 3.41Å; F782-S785 PolarHBondContact O-N 3.09Å; F782-S785 PolarHBondContact O-OG 3.2Å; S785-N873 PolarHBondContact O-ND2 2.85Å
786	N	95.2	Very high	94	Very high	24 Å²	24	26.5 Å²	26.5	13%	0.128	16%	0.159	C	C	.	.			trans	-74.1	140.6	-179.9	-56.2	-70.3	0	0	0	111.5	N777 H780 N789	N777-N786 PolarHBondContact O-ND2 2.88Å; H780-N786 PolarHBondContact O-ND2 2.97Å; N786-N789 HydrophobicContact CB-CB 4.26Å
787	N	95.2	Very high	93.9	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.032	16%	0.157	C	C	.	.	S	Bend	trans	-77.4	-33.3	165.2	-76.9	-10.1	0	0	0	111	V857 N858 N873 F874 W898 Y899 K900	N787-V857 HydrophobicContact CB-CG1 4.29Å; N787-V857 WeakPolarHBondContact CB-O 3.47Å; N787-V857 PolarHBondContact ND2-O 3.4Å; N787-V857 VanDerWaalsContact ND2-O 3.14Å; N787-N858 PolarHBondContact N-OD1 3.46Å; N787-N873 WeakPolarHBondContact ND2-CB 3.31Å; N787-F874 PolarHBondContact ND2-O 3.42Å; N787-W898 HydrophobicContact CB-CZ3 4.38Å; N787-W898 PolarHBondContact ND2-O 2.93Å; N787-Y899 WeakPolarHBondContact OD1-CA 3.22Å; N787-K900 VanDerWaalsContact O-CD 3.26Å; N787-K900 WeakPolarHBondContact O-CD 3.26Å; N787-K900 PolarHBondContact OD1-N 3.44Å
788	I	95.5	Very high	93.8	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.026	14%	0.139	C	C	.	.	S	Bend	trans	-131.1	97.1	170.3	-56.1	-177.5	0	0	0	107.7	L790 V820 V857 N858 P876 F1185 L1189	I788-L790 PolarHBondContact O-N 2.72Å; I788-V820 HydrophobicContact CD1-CG1 4.46Å; I788-V820 HydrophobicContact CG2-CB 4.43Å; I788-V820 HydrophobicContact CG2-CG1 3.91Å; I788-V857 HydrophobicContact CB-CG1 4.16Å; I788-V857 HydrophobicContact CD1-CG1 3.96Å; I788-V857 HydrophobicContact CG1-CG1 3.88Å; I788-N858 PolarHBondContact N-OD1 3.29Å; I788-N858 PolarHBondContact O-ND2 3.23Å; I788-N858 PolarHBondContact O-OD1 3.01Å; I788-P876 HydrophobicContact CD1-CB 4.24Å; I788-P876 HydrophobicContact CD1-CG 3.89Å; I788-P876 HydrophobicContact CG1-CG 4.18Å; I788-F1185 HydrophobicContact CD1-CE2 3.95Å; I788-F1185 HydrophobicContact CD1-CZ 3.61Å; I788-L1189 HydrophobicContact CD1-CD1 3.99Å; I788-L1189 HydrophobicContact CG1-CD1 4.27Å
789	N	95	Very high	93.6	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.016	14%	0.14	C	C	.	.			trans	-61	122.4	170.7	55.1	-66.9	0	0	0	109.5	N786 L791 N818	N786-N789 HydrophobicContact CB-CB 4.26Å; N789-L791 VanDerWaalsContact C-N 3.27Å; N789-L791 PolarHBondContact ND2-O 3.47Å; N789-L791 PolarHBondContact O-N 3.13Å; N789-N818 WeakPolarHBondContact O-CB 3.33Å; N789-N818 PolarHBondContact O-ND2 3.26Å
790	L	96	Very high	93.4	Very high	2 Å²	2	23 Å²	23	1%	0.01	14%	0.141	C	C	.	.	S	Bend	trans	-77.9	-19	-174.5	-56.7	-173.9	0	0	0	112.3	L729 L737 L778 I788 N818 T821 L824 F825	L729-L790 HydrophobicContact CD2-CD1 4.19Å; L737-L790 HydrophobicContact CD1-CD1 3.93Å; L737-L790 HydrophobicContact CD2-CB 4.31Å; L737-L790 HydrophobicContact CD2-CD1 4.41Å; L778-L790 HydrophobicContact CD2-CD1 4.29Å; L778-L790 PolarHBondContact O-N 3.38Å; I788-L790 PolarHBondContact O-N 2.72Å; L790-N818 WeakPolarHBondContact O-CB 3.11Å; L790-N818 PolarHBondContact O-N 3.49Å; L790-N818 VanDerWaalsContact O-N 3.09Å; L790-T821 WeakPolarHBondContact CA-OG1 3.39Å; L790-T821 HydrophobicContact CB-CG2 4.21Å; L790-T821 HydrophobicContact CD2-CG2 4.26Å; L790-T821 PolarHBondContact O-OG1 2.8Å; L790-L824 HydrophobicContact CD2-CD2 4.05Å; L790-F825 HydrophobicContact CD1-CE2 4.29Å
791	L	96.1	Very high	93.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-120.6	154.4	173.3	-57.2	179.3	0	0	0	109.5	V736 I775 L778 A779 N789 T815 L816 L817	V736-L791 HydrophobicContact CG1-CD1 4.06Å; I775-L791 HydrophobicContact CG2-CD1 3.86Å; L778-L791 HydrophobicContact CB-CD1 4.05Å; L778-L791 HydrophobicContact CB-CG 4.24Å; L778-L791 PolarHBondContact O-N 3.03Å; A779-L791 WeakPolarHBondContact CA-O 3.49Å; A779-L791 HydrophobicContact CB-CB 4.04Å; N789-L791 VanDerWaalsContact C-N 3.27Å; N789-L791 PolarHBondContact ND2-O 3.47Å; N789-L791 PolarHBondContact O-N 3.13Å; L791-T815 WeakPolarHBondContact CB-OG1 3.46Å; L791-L816 CarbonylContact C-O 3.53Å; L791-L816 WeakPolarHBondContact CA-O 3.24Å; L791-L817 HydrophobicContact CD2-CD1 4.11Å
792	L	94.3	Very high	93.1	Very high	23 Å²	23	24.7 Å²	24.7	12%	0.12	15%	0.148	C	C	.	.			trans	-87.8	130.1	178.3	-61.9	180	0	0	0	110.9	I794 T815 L816 N818	L792-I794 HydrophobicContact CB-CG1 4.26Å; L792-I794 PolarHBondContact O-N 3.23Å; L792-T815 WeakPolarHBondContact O-CA 3.29Å; L792-T815 WeakPolarHBondContact O-CB 3.39Å; L792-T815 PolarHBondContact O-OG1 3.39Å; L792-L816 HydrophobicContact CD1-CB 4.4Å; L792-L816 HydrophobicContact CD1-CD2 4.46Å; L792-L816 PolarHBondContact N-O 3.25Å; L792-N818 HydrophobicContact CD2-CB 3.9Å; L792-N818 HydrophobicContact CG-CB 4.23Å
793	P	93.7	Very high	93.1	Very high	29 Å²	29	24.8 Å²	24.8	19%	0.188	15%	0.153	C	C	.	.			trans	-82.7	88.5	178.2	31	-32.8	0	0	0	111.4	A779 N781 G795 F797	A779-P793 HydrophobicContact CB-CB 4.23Å; A779-P793 WeakPolarHBondContact O-CB 3.41Å; A779-P793 WeakPolarHBondContact O-CD 3.45Å; A779-P793 WeakPolarHBondContact O-CG 3.49Å; N781-P793 HydrophobicContact CB-CG 4.21Å; P793-G795 PolarHBondContact O-N 3.38Å; P793-F797 VanDerWaalsContact CA-CD2 3.4Å; P793-F797 HydrophobicContact CB-CB 3.65Å; P793-F797 HydrophobicContact CB-CD1 4.18Å; P793-F797 HydrophobicContact CB-CD2 3.55Å; P793-F797 HydrophobicContact CB-CE2 4.26Å; P793-F797 HydrophobicContact CB-CG 3.5Å
794	I	93	Very high	93	Very high	58 Å²	58	24.4 Å²	24.4	30%	0.297	15%	0.152	S	C	.	.	B	Isolated β-bridge	trans	-94	84.4	-179.2	-47.8	173.1	0	0	0	109.6	E748 L792 F797 F814 L816	E748-I794 HydrophobicContact CB-CD1 3.82Å; L792-I794 HydrophobicContact CB-CG1 4.26Å; L792-I794 PolarHBondContact O-N 3.23Å; I794-F797 VanDerWaalsContact N-CE2 3.3Å; I794-F814 CarbonylContact C-O 3.51Å; I794-F814 WeakPolarHBondContact CA-O 3.42Å; I794-F814 HydrophobicContact CB-CB 4.07Å; I794-F814 VanDerWaalsContact CB-O 3.29Å; I794-F814 WeakPolarHBondContact CB-O 3.33Å; I794-F814 HydrophobicContact CG2-CB 4.33Å; I794-F814 PolarHBondContact N-O 2.87Å; I794-F814 PolarHBondContact O-N 3.34Å; I794-F814 VanDerWaalsContact O-O 3.1Å; I794-L816 HydrophobicContact CD1-CB 4.15Å
795	G	91.3	Very high	93.1	Very high	55 Å²	55	28.8 Å²	28.8	57%	0.567	17%	0.165	S	C	*	.	S	Bend	trans	131.6	-163.4	-177.2	0	0	0	0	0	111.9	P793 F797	P793-G795 PolarHBondContact O-N 3.38Å; G795-F797 PolarHBondContact O-N 3.03Å
796	Q	91.9	Very high	93	Very high	88 Å²	88	29.8 Å²	29.8	41%	0.411	17%	0.169	S	C	.	.			trans	-80.1	88	177.1	177	55.1	-59	0	0	110.9	G798 T799 A808	Q796-G798 PolarHBondContact O-N 2.96Å; Q796-T799 VanDerWaalsContact NE2-CG2 3.31Å; Q796-A808 HydrophobicContact CB-CB 3.98Å; Q796-A808 HydrophobicContact CG-CB 4.26Å; Q796-A808 PolarHBondContact O-N 2.97Å
797	F	93.9	Very high	92.9	Very high	3 Å²	3	30.9 Å²	30.9	1%	0.013	18%	0.178	C	C	.	.			trans	-83.5	10.4	173.9	-83.8	-103.9	0	0	0	113.5	V751 V776 A779 H780 P793 I794 G795 S807 I813 F814	V751-F797 HydrophobicContact CG2-CE1 3.94Å; V751-F797 HydrophobicContact CG2-CZ 3.68Å; V776-F797 HydrophobicContact CB-CD1 4.28Å; V776-F797 HydrophobicContact CG1-CD1 4.11Å; V776-F797 HydrophobicContact CG2-CD1 4.16Å; V776-F797 HydrophobicContact CG2-CE1 4.11Å; A779-F797 HydrophobicContact CB-CD1 3.52Å; A779-F797 HydrophobicContact CB-CE1 3.55Å; A779-F797 HydrophobicContact CB-CG 4.36Å; A779-F797 HydrophobicContact CB-CZ 4.44Å; H780-F797 PolarHBondContact CD2-O 2.86Å; H780-F797 PolarHBondContact NE2-O 2.99Å; P793-F797 VanDerWaalsContact CA-CD2 3.4Å; P793-F797 HydrophobicContact CB-CB 3.65Å; P793-F797 HydrophobicContact CB-CD1 4.18Å; P793-F797 HydrophobicContact CB-CD2 3.55Å; P793-F797 HydrophobicContact CB-CE2 4.26Å; P793-F797 HydrophobicContact CB-CG 3.5Å; I794-F797 VanDerWaalsContact N-CE2 3.3Å; G795-F797 PolarHBondContact O-N 3.03Å; F797-S807 WeakPolarHBondContact O-CB 3.41Å; F797-I813 HydrophobicContact CD1-CD1 4.24Å; F797-I813 HydrophobicContact CD2-CB 4.3Å; F797-I813 HydrophobicContact CD2-CD1 4.42Å; F797-I813 HydrophobicContact CD2-CG2 4.45Å; F797-I813 HydrophobicContact CE1-CD1 3.95Å; F797-I813 HydrophobicContact CE2-CB 3.69Å; F797-I813 HydrophobicContact CE2-CD1 4.12Å; F797-I813 HydrophobicContact CE2-CG1 4.35Å; F797-I813 HydrophobicContact CE2-CG2 4.3Å; F797-I813 HydrophobicContact CG-CD1 4.48Å; F797-I813 HydrophobicContact CZ-CB 4.05Å; F797-I813 HydrophobicContact CZ-CD1 3.88Å; F797-I813 HydrophobicContact CZ-CG1 4.25Å; F797-F814 WeakPolarHBondContact CE2-O 3.38Å; F797-F814 WeakPolarHBondContact CZ-O 3.46Å
798	G	91.6	Very high	92.8	Very high	6 Å²	6	32.1 Å²	32.1	6%	0.062	19%	0.19	C	C	.	.			trans	89.4	161.1	-178.2	0	0	0	0	0	111.7	Q796 D806	Q796-G798 PolarHBondContact O-N 2.96Å; G798-D806 WeakPolarHBondContact CA-OD1 3.25Å
799	T	92.5	Very high	92.7	Very high	8 Å²	8	34.2 Å²	34.2	5%	0.049	21%	0.205	C	C	.	.			trans	-133.7	176.8	-162.5	79.4	0	0	0	0	112.5	Q796 L801 G803 G804 D806 D970	Q796-T799 VanDerWaalsContact NE2-CG2 3.31Å; T799-L801 PolarHBondContact O-N 3.46Å; T799-L801 WeakPolarHBondContact OG1-CB 3.26Å; T799-L801 WeakPolarHBondContact OG1-CG 3.42Å; T799-L801 PolarHBondContact OG1-N 2.93Å; T799-L801 VanDerWaalsContact OG1-N 3.12Å; T799-G803 WeakPolarHBondContact O-CA 3.47Å; T799-G803 PolarHBondContact O-N 3.43Å; T799-G804 PolarHBondContact O-N 3.32Å; T799-D806 VanDerWaalsContact CB-OD2 3.28Å; T799-D806 WeakPolarHBondContact CB-OD2 3.35Å; T799-D806 VanDerWaalsContact CG2-OD2 3.28Å; T799-D806 WeakPolarHBondContact CG2-OD2 3.37Å; T799-D806 PolarHBondContact N-OD1 3.42Å; T799-D806 PolarHBondContact N-OD2 2.85Å; T799-D806 PolarHBondContact OG1-OD2 2.93Å; T799-D970 WeakPolarHBondContact CB-O 3.37Å; T799-D970 HydrophobicContact CG2-CB 3.77Å
800	R	91.1	Very high	92.6	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.015	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-8.5	174.7	-164.9	165.8	-174.5	-159.9	-9.8	113.6	F782 E932 L933 W938 T939 D970	F782-R800 HydrophobicContact CB-CB 4.35Å; R800-E932 IonicContact CZ-OE1 3.92Å; R800-E932 IonicContact NH1-OE1 2.65Å; R800-E932 PolarHBondContact NH1-OE1 2.93Å; R800-E932 IonicContact NH1-OE2 2.73Å; R800-E932 PolarHBondContact NH1-OE2 2.63Å; R800-E932 IonicContact NH2-OE1 2.89Å; R800-E932 PolarHBondContact NH2-OE1 2.96Å; R800-L933 PolarHBondContact NH2-O 3.15Å; R800-W938 HydrophobicContact CG-CE3 4.44Å; R800-T939 PolarHBondContact O-N 3.35Å; R800-T939 PolarHBondContact O-OG1 2.9Å; R800-D970 WeakPolarHBondContact CB-O 3.28Å; R800-D970 PolarHBondContact N-O 3.33Å; R800-D970 VanDerWaalsContact N-O 3.1Å
801	L	91.7	Very high	92.5	Very high	45 Å²	45	43.7 Å²	43.7	24%	0.236	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-42	179.3	-60.3	176.5	0	0	0	111.6	T799 T939 Q940 T969	T799-L801 PolarHBondContact O-N 3.46Å; T799-L801 WeakPolarHBondContact OG1-CB 3.26Å; T799-L801 WeakPolarHBondContact OG1-CG 3.42Å; T799-L801 PolarHBondContact OG1-N 2.93Å; T799-L801 VanDerWaalsContact OG1-N 3.12Å; L801-T939 HydrophobicContact CD2-CG2 4.12Å; L801-T939 PolarHBondContact O-N 3.28Å; L801-Q940 WeakPolarHBondContact O-CB 3.36Å; L801-Q940 PolarHBondContact O-N 2.9Å; L801-T969 WeakPolarHBondContact CD2-O 3.46Å
802	Q	91.2	Very high	92.2	Very high	89 Å²	89	52 Å²	52	42%	0.416	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	8.9	-178.5	-58.7	-171.9	-10.9	0	0	113.9	K805 D806 Q940	Q802-K805 HydrophobicContact CB-CB 4.15Å; Q802-D806 HydrophobicContact CB-CB 4.24Å; Q802-D806 HydrophobicContact CG-CB 4.38Å; Q802-Q940 HydrophobicContact CG-CB 4.33Å
803	G	90.4	Very high	92.3	Very high	19 Å²	19	51 Å²	51	20%	0.196	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	32.7	177.3	0	0	0	0	0	113.7	F782 T799	F782-G803 WeakPolarHBondContact CZ-O 3.22Å; T799-G803 WeakPolarHBondContact O-CA 3.47Å; T799-G803 PolarHBondContact O-N 3.43Å
804	G	91	Very high	92.4	Very high	5 Å²	5	52.5 Å²	52.5	5%	0.052	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-13.9	-179.2	0	0	0	0	0	115.4	T799 D806 S807	T799-G804 PolarHBondContact O-N 3.32Å; G804-D806 PolarHBondContact O-N 2.7Å; G804-D806 VanDerWaalsContact O-N 3.14Å; G804-S807 WeakPolarHBondContact O-CB 3.35Å; G804-S807 PolarHBondContact O-N 3.49Å; G804-S807 VanDerWaalsContact O-N 3.09Å; G804-S807 PolarHBondContact O-OG 2.94Å
805	K	91	Very high	92.5	Very high	114 Å²	114	49.7 Å²	49.7	50%	0.496	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.3	174.2	-63.1	-169.3	-171.9	-178.4	0	112.9	Q802 S807 S1340 D1341	Q802-K805 HydrophobicContact CB-CB 4.15Å; K805-S807 VanDerWaalsContact C-N 3.3Å; K805-S807 PolarHBondContact O-N 3.4Å; K805-S1340 PolarHBondContact NZ-O 3.35Å; K805-D1341 IonicContact NZ-OD1 3.5Å; K805-D1341 PolarHBondContact NZ-OD1 3.08Å
806	D	92.3	Very high	92.6	Very high	39 Å²	39	49.1 Å²	49.1	21%	0.209	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	17.6	176.9	62.4	-41.5	0	0	0	114.3	G798 T799 Q802 G804	G798-D806 WeakPolarHBondContact CA-OD1 3.25Å; T799-D806 VanDerWaalsContact CB-OD2 3.28Å; T799-D806 WeakPolarHBondContact CB-OD2 3.35Å; T799-D806 VanDerWaalsContact CG2-OD2 3.28Å; T799-D806 WeakPolarHBondContact CG2-OD2 3.37Å; T799-D806 PolarHBondContact N-OD1 3.42Å; T799-D806 PolarHBondContact N-OD2 2.85Å; T799-D806 PolarHBondContact OG1-OD2 2.93Å; Q802-D806 HydrophobicContact CB-CB 4.24Å; Q802-D806 HydrophobicContact CG-CB 4.38Å; G804-D806 PolarHBondContact O-N 2.7Å; G804-D806 VanDerWaalsContact O-N 3.14Å
807	S	93.1	Very high	92.8	Very high	47 Å²	47	46.2 Å²	46.2	33%	0.329	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-65.5	143.3	172.8	51	0	0	0	0	112.5	F797 G804 K805	F797-S807 WeakPolarHBondContact O-CB 3.41Å; G804-S807 WeakPolarHBondContact O-CB 3.35Å; G804-S807 PolarHBondContact O-N 3.49Å; G804-S807 VanDerWaalsContact O-N 3.09Å; G804-S807 PolarHBondContact O-OG 2.94Å; K805-S807 VanDerWaalsContact C-N 3.3Å; K805-S807 PolarHBondContact O-N 3.4Å
808	A	93.5	Very high	92.8	Very high	33 Å²	33	46.1 Å²	46.1	27%	0.273	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-78.8	149.8	177.9	0	0	0	0	0	111.3	Q796 I813	Q796-A808 HydrophobicContact CB-CB 3.98Å; Q796-A808 HydrophobicContact CG-CB 4.26Å; Q796-A808 PolarHBondContact O-N 2.97Å; A808-I813 HydrophobicContact CB-CG2 3.89Å; A808-I813 WeakPolarHBondContact O-CD1 3.37Å
809	S	92.8	Very high	92.7	Very high	49 Å²	49	49 Å²	49	34%	0.343	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-51.7	135.5	-175.8	-174.9	0	0	0	0	112.4	R811 Y812	S809-R811 PolarHBondContact O-N 3.49Å; S809-Y812 PolarHBondContact O-N 3.19Å
810	P	92.5	Very high	92.8	Very high	28 Å²	28	48.6 Å²	48.6	18%	0.182	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-11.9	-179.1	-34.9	37.7	0	0	0	118.2	V751 A752 M772	V751-P810 HydrophobicContact CB-CB 4.03Å; V751-P810 HydrophobicContact CG1-CB 3.88Å; V751-P810 HydrophobicContact CG1-CG 4.35Å; A752-P810 HydrophobicContact CB-CB 4.24Å; A752-P810 WeakPolarHBondContact CB-O 3.36Å; A752-P810 PolarHBondContact N-O 3.17Å; M772-P810 HydrophobicContact CB-CB 4.09Å; M772-P810 HydrophobicContact CB-CG 3.7Å; M772-P810 HydrophobicContact CG-CB 3.99Å; M772-P810 HydrophobicContact CG-CG 4.12Å; M772-P810 HydrophobicContact SD-CB 3.45Å; M772-P810 WeakPolarHBondContact SD-CB 3.49Å; M772-P810 HydrophobicContact SD-CG 3.72Å
811	R	92.9	Very high	93	Very high	176 Å²	176	48.4 Å²	48.4	66%	0.664	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-15.9	174.5	-69	-179.2	-81.4	-167.7	-7.5	113.9	A752 S809	A752-R811 HydrophobicContact CB-CG 4.21Å; S809-R811 PolarHBondContact O-N 3.49Å
812	Y	91.7	Very high	93	Very high	174 Å²	174	49.1 Å²	49.1	68%	0.682	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-21.5	-177	-56.5	-58.4	0	0	0	114.3	S809	S809-Y812 PolarHBondContact O-N 3.19Å
813	I	95.1	Very high	93.1	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.015	23%	0.229	C	C	.	.			trans	-100.9	146.4	-176.4	53.5	169.2	0	0	0	112.1	K750 V751 V776 F797 A808	K750-I813 WeakPolarHBondContact CA-O 3.28Å; V751-I813 HydrophobicContact CB-CD1 4.42Å; V751-I813 HydrophobicContact CB-CG1 4.21Å; V751-I813 HydrophobicContact CG2-CD1 3.91Å; V751-I813 HydrophobicContact CG2-CG1 3.83Å; V751-I813 PolarHBondContact N-O 3.44Å; V776-I813 HydrophobicContact CG2-CD1 3.67Å; F797-I813 HydrophobicContact CD1-CD1 4.24Å; F797-I813 HydrophobicContact CD2-CB 4.3Å; F797-I813 HydrophobicContact CD2-CD1 4.42Å; F797-I813 HydrophobicContact CD2-CG2 4.45Å; F797-I813 HydrophobicContact CE1-CD1 3.95Å; F797-I813 HydrophobicContact CE2-CB 3.69Å; F797-I813 HydrophobicContact CE2-CD1 4.12Å; F797-I813 HydrophobicContact CE2-CG1 4.35Å; F797-I813 HydrophobicContact CE2-CG2 4.3Å; F797-I813 HydrophobicContact CG-CD1 4.48Å; F797-I813 HydrophobicContact CZ-CB 4.05Å; F797-I813 HydrophobicContact CZ-CD1 3.88Å; F797-I813 HydrophobicContact CZ-CG1 4.25Å; A808-I813 HydrophobicContact CB-CG2 3.89Å; A808-I813 WeakPolarHBondContact O-CD1 3.37Å
814	F	96	Very high	93.3	Very high	59 Å²	59	44.4 Å²	44.4	26%	0.259	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	155.8	-175	-66.9	-108.2	0	0	0	110.6	E748 V749 K750 I794 F797	E748-F814 HydrophobicContact CB-CB 4.18Å; E748-F814 HydrophobicContact CB-CD1 4.35Å; E748-F814 HydrophobicContact CG-CB 4.46Å; E748-F814 HydrophobicContact CG-CD1 3.92Å; V749-F814 CarbonylContact O-C 3.55Å; V749-F814 VanDerWaalsContact O-CA 3.3Å; V749-F814 WeakPolarHBondContact O-CA 3.22Å; K750-F814 HydrophobicContact CD-CE1 4.27Å; K750-F814 HydrophobicContact CD-CZ 4.16Å; K750-F814 HydrophobicContact CG-CD1 3.7Å; K750-F814 HydrophobicContact CG-CD2 4.4Å; K750-F814 HydrophobicContact CG-CE1 3.43Å; K750-F814 VanDerWaalsContact CG-CE1 3.43Å; K750-F814 HydrophobicContact CG-CE2 4.16Å; K750-F814 HydrophobicContact CG-CG 4.21Å; K750-F814 HydrophobicContact CG-CZ 3.7Å; I794-F814 CarbonylContact C-O 3.51Å; I794-F814 WeakPolarHBondContact CA-O 3.42Å; I794-F814 HydrophobicContact CB-CB 4.07Å; I794-F814 VanDerWaalsContact CB-O 3.29Å; I794-F814 WeakPolarHBondContact CB-O 3.33Å; I794-F814 HydrophobicContact CG2-CB 4.33Å; I794-F814 PolarHBondContact N-O 2.87Å; I794-F814 PolarHBondContact O-N 3.34Å; I794-F814 VanDerWaalsContact O-O 3.1Å; F797-F814 WeakPolarHBondContact CE2-O 3.38Å; F797-F814 WeakPolarHBondContact CZ-O 3.46Å
815	T	95.2	Very high	93.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	167.7	177.3	-161.4	0	0	0	0	111.9	E748 V749 V751 L754 I775 L791 L792	E748-T815 WeakPolarHBondContact CA-O 3.45Å; V749-T815 HydrophobicContact CG1-CG2 4.4Å; V749-T815 PolarHBondContact N-O 3.37Å; V749-T815 PolarHBondContact O-N 2.73Å; V751-T815 HydrophobicContact CG2-CG2 4.31Å; L754-T815 HydrophobicContact CD2-CG2 3.66Å; I775-T815 HydrophobicContact CG2-CG2 4.04Å; L791-T815 WeakPolarHBondContact CB-OG1 3.46Å; L792-T815 WeakPolarHBondContact O-CA 3.29Å; L792-T815 WeakPolarHBondContact O-CB 3.39Å; L792-T815 PolarHBondContact O-OG1 3.39Å
816	L	94.3	Very high	93.6	Very high	42 Å²	42	40 Å²	40	22%	0.22	20%	0.2	C	C	.	.			trans	-152.5	150.7	179.4	-179.2	59.9	0	0	0	108.2	D745 L791 L792 I794 N818	D745-L816 WeakPolarHBondContact O-CD1 3.47Å; L791-L816 CarbonylContact C-O 3.53Å; L791-L816 WeakPolarHBondContact CA-O 3.24Å; L792-L816 HydrophobicContact CD1-CB 4.4Å; L792-L816 HydrophobicContact CD1-CD2 4.46Å; L792-L816 PolarHBondContact N-O 3.25Å; I794-L816 HydrophobicContact CD1-CB 4.15Å; L816-N818 PolarHBondContact O-N 3.15Å
817	L	94.6	Very high	93.5	Very high	27 Å²	27	41.5 Å²	41.5	14%	0.141	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-61.8	126.7	173.6	-174.6	64.6	0	0	0	110.1	L737 C740 F741 L791 T821 R822	L737-L817 HydrophobicContact CD2-CD1 4.43Å; C740-L817 HydrophobicContact CB-CD1 4.22Å; F741-L817 HydrophobicContact CD1-CD1 4.46Å; F741-L817 HydrophobicContact CD1-CD2 3.78Å; F741-L817 HydrophobicContact CE1-CD1 4.03Å; F741-L817 HydrophobicContact CE1-CD2 3.89Å; L791-L817 HydrophobicContact CD2-CD1 4.11Å; L817-T821 HydrophobicContact CD1-CG2 3.8Å; L817-R822 HydrophobicContact CD2-CG 3.93Å
818	N	93.9	Very high	93.4	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.011	21%	0.208	C	C	.	.			trans	-66.4	129.7	177.7	-175.8	-16.1	0	0	0	109.4	N789 L790 L792 L816 V820 T821	N789-N818 WeakPolarHBondContact O-CB 3.33Å; N789-N818 PolarHBondContact O-ND2 3.26Å; L790-N818 WeakPolarHBondContact O-CB 3.11Å; L790-N818 PolarHBondContact O-N 3.49Å; L790-N818 VanDerWaalsContact O-N 3.09Å; L792-N818 HydrophobicContact CD2-CB 3.9Å; L792-N818 HydrophobicContact CG-CB 4.23Å; L816-N818 PolarHBondContact O-N 3.15Å; N818-V820 PolarHBondContact O-N 3.44Å; N818-V820 VanDerWaalsContact O-N 3.14Å; N818-V820 PolarHBondContact OD1-N 3.17Å; N818-V820 VanDerWaalsContact OD1-N 3.15Å; N818-T821 WeakPolarHBondContact O-CB 3.48Å; N818-T821 PolarHBondContact O-N 3.35Å; N818-T821 PolarHBondContact O-OG1 3.18Å
819	P	91	Very high	93.3	Very high	65 Å²	65	39.5 Å²	39.5	42%	0.422	20%	0.197	S	C	.	.	H	α-helix	trans	-50.7	-37.2	176.5	-31	36.9	0	0	0	114.1	T821 R822 E1188	P819-T821 PolarHBondContact O-N 2.7Å; P819-R822 PolarHBondContact O-N 2.98Å; P819-R822 VanDerWaalsContact O-N 3.12Å; P819-E1188 HydrophobicContact CB-CG 4.39Å; P819-E1188 WeakPolarHBondContact CB-OE1 3.34Å
820	V	93.9	Very high	93.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-58.6	-31.6	176.4	-177.1	0	0	0	0	111.7	I788 N818 R822 A823 L824 F1185 E1188 L1189 R1192	I788-V820 HydrophobicContact CD1-CG1 4.46Å; I788-V820 HydrophobicContact CG2-CB 4.43Å; I788-V820 HydrophobicContact CG2-CG1 3.91Å; N818-V820 PolarHBondContact O-N 3.44Å; N818-V820 VanDerWaalsContact O-N 3.14Å; N818-V820 PolarHBondContact OD1-N 3.17Å; N818-V820 VanDerWaalsContact OD1-N 3.15Å; V820-R822 VanDerWaalsContact C-N 3.31Å; V820-R822 PolarHBondContact O-N 3.02Å; V820-A823 PolarHBondContact O-N 2.84Å; V820-A823 VanDerWaalsContact O-N 3.16Å; V820-L824 WeakPolarHBondContact O-CB 3.13Å; V820-L824 PolarHBondContact O-N 3.4Å; V820-F1185 HydrophobicContact CG1-CD2 4.13Å; V820-F1185 HydrophobicContact CG1-CE2 3.71Å; V820-E1188 HydrophobicContact CG2-CG 4.25Å; V820-L1189 HydrophobicContact CG1-CD1 4.42Å; V820-R1192 HydrophobicContact CG2-CB 3.75Å; V820-R1192 HydrophobicContact CG2-CG 4.26Å
821	T	95	Very high	92.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66	-29.8	179.3	-54.3	0	0	0	0	112.8	L737 F741 L790 L817 N818 P819 L824 F825	L737-T821 HydrophobicContact CD2-CG2 4.43Å; F741-T821 HydrophobicContact CE1-CG2 4.2Å; F741-T821 HydrophobicContact CZ-CG2 4.27Å; L790-T821 WeakPolarHBondContact CA-OG1 3.39Å; L790-T821 HydrophobicContact CB-CG2 4.21Å; L790-T821 HydrophobicContact CD2-CG2 4.26Å; L790-T821 PolarHBondContact O-OG1 2.8Å; L817-T821 HydrophobicContact CD1-CG2 3.8Å; N818-T821 WeakPolarHBondContact O-CB 3.48Å; N818-T821 PolarHBondContact O-N 3.35Å; N818-T821 PolarHBondContact O-OG1 3.18Å; P819-T821 PolarHBondContact O-N 2.7Å; T821-L824 PolarHBondContact O-N 2.78Å; T821-F825 HydrophobicContact CG2-CD2 3.78Å; T821-F825 HydrophobicContact CG2-CE2 4.18Å; T821-F825 WeakPolarHBondContact O-CD2 3.47Å; T821-F825 PolarHBondContact O-N 3.19Å
822	R	92.4	Very high	92.6	Very high	59 Å²	59	32.8 Å²	32.8	22%	0.223	18%	0.175	C	C	.	.	H	α-helix	trans	-81.8	-17.5	174.1	-81.9	-54.8	-155.6	171.2	5.5	114.2	F741 L817 P819 V820 E830	F741-R822 VanDerWaalsContact CD1-CZ 3.49Å; L817-R822 HydrophobicContact CD2-CG 3.93Å; P819-R822 PolarHBondContact O-N 2.98Å; P819-R822 VanDerWaalsContact O-N 3.12Å; V820-R822 VanDerWaalsContact C-N 3.31Å; V820-R822 PolarHBondContact O-N 3.02Å; R822-E830 IonicContact CZ-OE1 3.78Å; R822-E830 VanDerWaalsContact CZ-OE1 3.27Å; R822-E830 IonicContact NH1-OE1 2.72Å; R822-E830 PolarHBondContact NH1-OE1 3.25Å; R822-E830 IonicContact NH2-OE1 3.93Å; R822-E830 PolarHBondContact NH2-OE1 2.85Å
823	A	93.4	Very high	92.6	Very high	10 Å²	10	25.2 Å²	25.2	8%	0.083	15%	0.146	C	C	.	.	H	α-helix	trans	-80	-33	163.9	0	0	0	0	0	111.6	V820 F1185 E1188	V820-A823 PolarHBondContact O-N 2.84Å; V820-A823 VanDerWaalsContact O-N 3.16Å; A823-F1185 HydrophobicContact CB-CB 4.2Å; A823-F1185 HydrophobicContact CB-CD2 4.4Å; A823-E1188 HydrophobicContact CB-CB 4.41Å
824	L	94.1	Very high	92.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-74	-36	179.4	-172.1	54.8	0	0	0	113.2	L790 V820 T821 P850 I851 L852 T854 F1185	L790-L824 HydrophobicContact CD2-CD2 4.05Å; V820-L824 WeakPolarHBondContact O-CB 3.13Å; V820-L824 PolarHBondContact O-N 3.4Å; T821-L824 PolarHBondContact O-N 2.78Å; L824-P850 HydrophobicContact CD1-CB 4.34Å; L824-P850 HydrophobicContact CG-CB 4.39Å; L824-P850 CarbonylContact O-C 3.54Å; L824-P850 WeakPolarHBondContact O-CA 3.38Å; L824-P850 WeakPolarHBondContact O-CB 3.28Å; L824-I851 HydrophobicContact CD1-CG1 4Å; L824-I851 PolarHBondContact O-N 3.41Å; L824-L852 HydrophobicContact CD1-CB 4Å; L824-L852 HydrophobicContact CD1-CD1 4.41Å; L824-L852 HydrophobicContact CD1-CG 4.23Å; L824-T854 HydrophobicContact CD1-CG2 4.32Å; L824-T854 HydrophobicContact CD2-CG2 3.58Å; L824-T854 HydrophobicContact CG-CG2 4.09Å; L824-F1185 HydrophobicContact CB-CD2 4.29Å; L824-F1185 HydrophobicContact CB-CE2 4.29Å; L824-F1185 HydrophobicContact CD1-CD2 4.33Å; L824-F1185 HydrophobicContact CD1-CE2 3.99Å
825	F	94.6	Very high	92	Very high	5 Å²	5	27.4 Å²	27.4	2%	0.022	16%	0.158	C	C	.	.	S	Bend	trans	-117.8	91.2	174.3	-63.3	-81.5	0	0	0	109.4	D727 L729 L737 F741 L790 T821 Y848 P850 T854	D727-F825 HydrophobicContact CB-CE1 4.15Å; L729-F825 HydrophobicContact CD1-CZ 4.38Å; L737-F825 HydrophobicContact CD1-CD2 4.44Å; L737-F825 HydrophobicContact CD1-CE2 3.89Å; L737-F825 HydrophobicContact CD1-CZ 4.15Å; F741-F825 HydrophobicContact CE2-CB 4.23Å; F741-F825 HydrophobicContact CE2-CG 4.49Å; F741-F825 HydrophobicContact CZ-CB 3.83Å; F741-F825 HydrophobicContact CZ-CD2 4.1Å; F741-F825 HydrophobicContact CZ-CG 4.1Å; L790-F825 HydrophobicContact CD1-CE2 4.29Å; T821-F825 HydrophobicContact CG2-CD2 3.78Å; T821-F825 HydrophobicContact CG2-CE2 4.18Å; T821-F825 WeakPolarHBondContact O-CD2 3.47Å; T821-F825 PolarHBondContact O-N 3.19Å; F825-Y848 HydrophobicContact CD1-CD1 4.49Å; F825-Y848 HydrophobicContact CD1-CG 4.19Å; F825-Y848 HydrophobicContact CE1-CG 4.36Å; F825-P850 HydrophobicContact CD1-CB 3.81Å; F825-P850 HydrophobicContact CE1-CB 3.59Å; F825-P850 HydrophobicContact CE1-CG 3.95Å; F825-P850 HydrophobicContact CZ-CB 4.12Å; F825-T854 HydrophobicContact CZ-CG2 4.28Å
826	N	92.6	Very high	91.5	Very high	22 Å²	22	28.3 Å²	28.3	12%	0.118	16%	0.163	C	C	.	.			trans	-68.9	126.2	-172.2	-168.7	-41.4	0	0	0	110.9	A828 D829 R1040 D1181	N826-A828 PolarHBondContact O-N 3.47Å; N826-A828 VanDerWaalsContact O-N 3.13Å; N826-A828 WeakPolarHBondContact OD1-CB 3.38Å; N826-A828 PolarHBondContact OD1-N 2.69Å; N826-D829 WeakPolarHBondContact O-CB 3.5Å; N826-D829 PolarHBondContact O-N 3.03Å; N826-R1040 PolarHBondContact ND2-NH1 2.95Å; N826-R1040 PolarHBondContact ND2-NH2 2.9Å; N826-D1181 PolarHBondContact ND2-OD1 2.66Å; N826-D1181 PolarHBondContact ND2-OD2 3.1Å
827	P	91.4	Very high	90.8	Very high	70 Å²	70	29.7 Å²	29.7	46%	0.455	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-60.7	-22.9	-179.3	24.7	-35	0	0	0	113.9	D829 E830	P827-D829 PolarHBondContact O-N 3.34Å; P827-E830 WeakPolarHBondContact O-CB 3.35Å; P827-E830 PolarHBondContact O-N 3.25Å
828	A	90.3	Very high	89.7	Confident	31 Å²	31	29 Å²	29	26%	0.256	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-66.1	-19.2	174.9	0	0	0	0	0	113.5	N826 M1044	N826-A828 PolarHBondContact O-N 3.47Å; N826-A828 VanDerWaalsContact O-N 3.13Å; N826-A828 WeakPolarHBondContact OD1-CB 3.38Å; N826-A828 PolarHBondContact OD1-N 2.69Å; A828-M1044 HydrophobicContact CB-SD 4.13Å
829	D	91.7	Very high	88.5	Confident	6 Å²	6	31.4 Å²	31.4	3%	0.032	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-80.1	-21	177.2	-56.5	-28.9	0	0	0	112.4	N826 P827 A831 C832 R1033 R1040	N826-D829 WeakPolarHBondContact O-CB 3.5Å; N826-D829 PolarHBondContact O-N 3.03Å; P827-D829 PolarHBondContact O-N 3.34Å; D829-A831 VanDerWaalsContact C-N 3.25Å; D829-A831 PolarHBondContact O-N 3.41Å; D829-A831 VanDerWaalsContact O-N 3.15Å; D829-C832 PolarHBondContact O-N 2.7Å; D829-R1033 IonicContact OD1-NH1 3.88Å; D829-R1033 IonicContact OD1-NH2 2.67Å; D829-R1033 PolarHBondContact OD1-NH2 3.45Å; D829-R1033 IonicContact OD2-CZ 3.53Å; D829-R1033 IonicContact OD2-NH1 2.63Å; D829-R1033 PolarHBondContact OD2-NH1 2.65Å; D829-R1033 IonicContact OD2-NH2 2.73Å; D829-R1033 PolarHBondContact OD2-NH2 2.6Å; D829-R1040 WeakPolarHBondContact OD1-CD 3.44Å; D829-R1040 IonicContact OD1-CZ 2.78Å; D829-R1040 IonicContact OD1-NE 2.7Å; D829-R1040 IonicContact OD1-NH1 3.72Å; D829-R1040 PolarHBondContact OD1-NH1 3.21Å; D829-R1040 IonicContact OD2-NH1 3.9Å
830	E	89.5	Confident	87.5	Confident	54 Å²	54	30.4 Å²	30.4	25%	0.252	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-56.7	-36.2	-169.8	-72.3	-179.8	-169.6	0	0	112.9	R822 P827 C832 L833 Y835	R822-E830 IonicContact CZ-OE1 3.78Å; R822-E830 VanDerWaalsContact CZ-OE1 3.27Å; R822-E830 IonicContact NH1-OE1 2.72Å; R822-E830 PolarHBondContact NH1-OE1 3.25Å; R822-E830 IonicContact NH2-OE1 3.93Å; R822-E830 PolarHBondContact NH2-OE1 2.85Å; P827-E830 WeakPolarHBondContact O-CB 3.35Å; P827-E830 PolarHBondContact O-N 3.25Å; E830-C832 PolarHBondContact O-N 3.07Å; E830-L833 PolarHBondContact O-N 2.7Å; E830-Y835 VanDerWaalsContact O-CE2 3.28Å; E830-Y835 WeakPolarHBondContact O-CE2 3.37Å; E830-Y835 PolarHBondContact O-OH 3.17Å
831	A	85.7	Confident	86.6	Confident	52 Å²	52	34.3 Å²	34.3	43%	0.43	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-75.8	-6.8	179.9	0	0	0	0	0	114.6	D829 Y1043	D829-A831 VanDerWaalsContact C-N 3.25Å; D829-A831 PolarHBondContact O-N 3.41Å; D829-A831 VanDerWaalsContact O-N 3.15Å; A831-Y1043 HydrophobicContact CB-CD1 4.19Å; A831-Y1043 HydrophobicContact CB-CD2 4.16Å; A831-Y1043 HydrophobicContact CB-CE1 3.58Å; A831-Y1043 HydrophobicContact CB-CE2 3.53Å; A831-Y1043 HydrophobicContact CB-CG 4.46Å; A831-Y1043 VanDerWaalsContact CB-OH 3.31Å; A831-Y1043 WeakPolarHBondContact CB-OH 3.36Å
832	C	89.2	Confident	86.1	Confident	6 Å²	6	38.4 Å²	38.4	4%	0.041	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-102.7	-5.8	175.2	-68.8	0	0	0	0	113.5	D829 E830 M1036 R1039	D829-C832 PolarHBondContact O-N 2.7Å; E830-C832 PolarHBondContact O-N 3.07Å; C832-M1036 HydrophobicContact CB-CE 4.11Å; C832-R1039 HydrophobicContact CB-CB 4.37Å; C832-R1039 PolarHBondContact O-NH1 3.17Å; C832-R1039 PolarHBondContact O-NH2 2.89Å; C832-R1039 VanDerWaalsContact SG-C 3.59Å
833	L	90.9	Very high	85.9	Confident	15 Å²	15	35.6 Å²	35.6	8%	0.079	19%	0.193	C	C	.	.	S	Bend	trans	-76.9	145.3	179	-50.8	179.4	0	0	0	110.9	E830 Y835 P845 Y848 C849 M1036	E830-L833 PolarHBondContact O-N 2.7Å; L833-Y835 HydrophobicContact CB-CE2 4.2Å; L833-P845 HydrophobicContact CB-CB 3.76Å; L833-P845 HydrophobicContact CB-CG 4.35Å; L833-P845 HydrophobicContact CD1-CB 4.21Å; L833-P845 HydrophobicContact CD1-CG 3.85Å; L833-Y848 HydrophobicContact CD1-CD1 3.45Å; L833-Y848 VanDerWaalsContact CD1-CD1 3.45Å; L833-Y848 HydrophobicContact CD1-CE1 3.69Å; L833-Y848 HydrophobicContact CD1-CG 4.31Å; L833-C849 HydrophobicContact CD2-CB 4.24Å; L833-M1036 HydrophobicContact CD2-CE 3.74Å
834	N	88.6	Confident	85.8	Confident	71 Å²	71	35.1 Å²	35.1	38%	0.38	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-81.6	121.3	168.7	-166.6	35.3	0	0	0	108.7	P845 E846 D1581	N834-P845 CarbonylContact O-C 3.6Å; N834-P845 WeakPolarHBondContact O-CA 3.16Å; N834-P845 WeakPolarHBondContact O-CB 3.49Å; N834-E846 HydrophobicContact CB-CG 4.44Å; N834-E846 PolarHBondContact ND2-OE1 2.82Å; N834-E846 PolarHBondContact O-N 3.09Å; N834-D1581 PolarHBondContact ND2-OD1 2.67Å
835	Y	88.9	Confident	85.8	Confident	37 Å²	37	35.1 Å²	35.1	15%	0.145	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.4	-178.6	-77.6	-87.6	0	0	0	111.1	Y738 E830 L833 K842 I843 P845	Y738-Y835 HydrophobicContact CE2-CE1 4.3Å; E830-Y835 VanDerWaalsContact O-CE2 3.28Å; E830-Y835 WeakPolarHBondContact O-CE2 3.37Å; E830-Y835 PolarHBondContact O-OH 3.17Å; L833-Y835 HydrophobicContact CB-CE2 4.2Å; Y835-K842 VanDerWaalsContact CB-CE 3.5Å; Y835-K842 HydrophobicContact CD1-CD 4.49Å; Y835-K842 HydrophobicContact CD1-CG 4.43Å; Y835-K842 VanDerWaalsContact CD2-CE 3.48Å; Y835-K842 HydrophobicContact CG-CD 4.44Å; Y835-I843 WeakPolarHBondContact CD1-O 3.33Å; Y835-P845 HydrophobicContact CD1-CB 4.27Å; Y835-P845 HydrophobicContact CE1-CB 4.41Å; Y835-P845 HydrophobicContact CE1-CG 4.39Å
836	L	85.5	Confident	85.5	Confident	19 Å²	19	37 Å²	37	10%	0.099	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	160.8	175.6	-59.4	174.1	0	0	0	110.2	I843 E844 E846 F1576	L836-I843 VanDerWaalsContact C-CG1 3.43Å; L836-I843 HydrophobicContact CB-CD1 3.82Å; L836-I843 HydrophobicContact CB-CG1 3.83Å; L836-I843 WeakPolarHBondContact O-CG1 3.32Å; L836-I843 PolarHBondContact O-N 3.15Å; L836-I843 VanDerWaalsContact O-N 3.1Å; L836-E844 PolarHBondContact N-O 2.71Å; L836-E844 VanDerWaalsContact N-O 3.1Å; L836-E846 HydrophobicContact CD2-CG 3.92Å; L836-E846 HydrophobicContact CG-CG 4.33Å; L836-F1576 HydrophobicContact CD1-CD1 4.49Å; L836-F1576 HydrophobicContact CD1-CE1 3.98Å
837	F	78.9	Confident	85.5	Confident	72 Å²	72	38 Å²	38	32%	0.316	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.8	175.2	-70.9	-101.4	0	0	0	110.1	Q841 K842 S1579	F837-Q841 VanDerWaalsContact CA-O 3.3Å; F837-Q841 WeakPolarHBondContact CA-O 3.41Å; F837-K842 HydrophobicContact CD1-CB 4.3Å; F837-K842 HydrophobicContact CE1-CB 3.87Å; F837-K842 HydrophobicContact CE1-CG 4.31Å; F837-K842 HydrophobicContact CZ-CB 4.33Å; F837-K842 HydrophobicContact CZ-CG 4.28Å; F837-S1579 PolarHBondContact N-OG 3.33Å; F837-S1579 WeakPolarHBondContact O-CB 3.43Å
838	D	72.3	Confident	85.7	Confident	11 Å²	11	34.9 Å²	34.9	6%	0.059	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	137.6	174.1	-173.3	30.6	0	0	0	110.7	K621 S763 H765 N840 Q841 I843 A1577	K621-D838 IonicContact NZ-OD1 3.47Å; K621-D838 PolarHBondContact NZ-OD1 2.89Å; K621-D838 IonicContact NZ-OD2 2.97Å; K621-D838 PolarHBondContact NZ-OD2 2.84Å; S763-D838 WeakPolarHBondContact CB-OD2 3.23Å; H765-D838 IonicContact CD2-OD2 2.68Å; H765-D838 IonicContact CE1-OD2 3.23Å; H765-D838 IonicContact NE2-OD2 2.7Å; H765-D838 PolarHBondContact NE2-OD2 2.82Å; D838-N840 PolarHBondContact O-N 2.82Å; D838-N840 VanDerWaalsContact O-N 3.16Å; D838-Q841 PolarHBondContact N-O 3.35Å; D838-Q841 WeakPolarHBondContact O-CB 3.4Å; D838-Q841 PolarHBondContact O-N 2.79Å; D838-I843 HydrophobicContact CB-CD1 3.67Å; D838-I843 HydrophobicContact CB-CG1 4.41Å; D838-I843 HydrophobicContact CB-CG2 4.23Å; D838-A1577 HydrophobicContact CB-CB 3.49Å; D838-A1577 VanDerWaalsContact CB-CB 3.49Å
839	D	69.2	Low	85.9	Confident	54 Å²	54	33.6 Å²	33.6	29%	0.289	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	36.3	-169.8	-58.8	-39.9	0	0	0	112.9	Y619 K621 H765 Q841	Y619-D839 WeakPolarHBondContact CB-OD1 3.06Å; Y619-D839 HydrophobicContact CD2-CB 4.2Å; Y619-D839 VanDerWaalsContact CD2-OD1 3.24Å; Y619-D839 WeakPolarHBondContact CD2-OD1 3.47Å; K621-D839 WeakPolarHBondContact CE-OD1 3.47Å; K621-D839 IonicContact NZ-OD1 3.4Å; K621-D839 PolarHBondContact NZ-OD1 3.08Å; K621-D839 IonicContact NZ-OD2 3.55Å; K621-D839 PolarHBondContact NZ-OD2 2.94Å; H765-D839 IonicContact CE1-OD2 2.76Å; H765-D839 PolarHBondContact CE1-OD2 3.07Å; H765-D839 VanDerWaalsContact CE1-OD2 3.3Å; H765-D839 IonicContact NE2-OD2 2.78Å; D839-Q841 PolarHBondContact O-N 3.1Å
840	N	69.6	Low	86.1	Confident	44 Å²	44	33.3 Å²	33.3	24%	0.235	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	0.6	-170.3	-74.5	11.6	0	0	0	116.6	Y619 D838 E1108	Y619-N840 PolarHBondContact OH-OD1 2.91Å; D838-N840 PolarHBondContact O-N 2.82Å; D838-N840 VanDerWaalsContact O-N 3.16Å; N840-E1108 HydrophobicContact CB-CG 4.47Å; N840-E1108 VanDerWaalsContact CG-OE1 3.31Å; N840-E1108 PolarHBondContact ND2-OE1 2.84Å
841	Q	74.6	Confident	86.3	Confident	83 Å²	83	30.7 Å²	30.7	39%	0.388	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	145.6	176.8	-64	-175	-7.5	0	0	112	F837 D838 D839 I843	F837-Q841 VanDerWaalsContact CA-O 3.3Å; F837-Q841 WeakPolarHBondContact CA-O 3.41Å; D838-Q841 PolarHBondContact N-O 3.35Å; D838-Q841 WeakPolarHBondContact O-CB 3.4Å; D838-Q841 PolarHBondContact O-N 2.79Å; D839-Q841 PolarHBondContact O-N 3.1Å; Q841-I843 PolarHBondContact O-N 2.94Å
842	K	84.3	Confident	86.8	Confident	85 Å²	85	28.2 Å²	28.2	37%	0.37	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	112.2	173.1	-173.5	-175.6	176	-173.5	0	110.3	Y738 Y835 F837	Y738-K842 PolarHBondContact OH-O 2.68Å; Y835-K842 VanDerWaalsContact CB-CE 3.5Å; Y835-K842 HydrophobicContact CD1-CD 4.49Å; Y835-K842 HydrophobicContact CD1-CG 4.43Å; Y835-K842 VanDerWaalsContact CD2-CE 3.48Å; Y835-K842 HydrophobicContact CG-CD 4.44Å; F837-K842 HydrophobicContact CD1-CB 4.3Å; F837-K842 HydrophobicContact CE1-CB 3.87Å; F837-K842 HydrophobicContact CE1-CG 4.31Å; F837-K842 HydrophobicContact CZ-CB 4.33Å; F837-K842 HydrophobicContact CZ-CG 4.28Å
843	I	88.4	Confident	87	Confident	1 Å²	1	28 Å²	28	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-159.5	179.1	54.8	167.6	0	0	0	110	Y738 S762 Y835 L836 D838 Q841 A1577	Y738-I843 VanDerWaalsContact CZ-O 3.3Å; S762-I843 WeakPolarHBondContact O-CG2 3.35Å; Y835-I843 WeakPolarHBondContact CD1-O 3.33Å; L836-I843 VanDerWaalsContact C-CG1 3.43Å; L836-I843 HydrophobicContact CB-CD1 3.82Å; L836-I843 HydrophobicContact CB-CG1 3.83Å; L836-I843 WeakPolarHBondContact O-CG1 3.32Å; L836-I843 PolarHBondContact O-N 3.15Å; L836-I843 VanDerWaalsContact O-N 3.1Å; D838-I843 HydrophobicContact CB-CD1 3.67Å; D838-I843 HydrophobicContact CB-CG1 4.41Å; D838-I843 HydrophobicContact CB-CG2 4.23Å; Q841-I843 PolarHBondContact O-N 2.94Å; I843-A1577 HydrophobicContact CD1-CB 4.3Å
844	E	92	Very high	87.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	164.7	176.5	68.9	-67.4	152.7	0	0	113.8	R734 K735 Y738 L836 F1576	R734-E844 HydrophobicContact CB-CG 4.39Å; R734-E844 HydrophobicContact CG-CB 4.19Å; R734-E844 HydrophobicContact CG-CG 4Å; K735-E844 HydrophobicContact CG-CG 4.25Å; K735-E844 WeakPolarHBondContact CG-OE2 3.45Å; K735-E844 IonicContact NZ-OE1 2.65Å; K735-E844 PolarHBondContact NZ-OE1 2.83Å; K735-E844 IonicContact NZ-OE2 3.74Å; K735-E844 PolarHBondContact NZ-OE2 2.92Å; Y738-E844 HydrophobicContact CD1-CB 3.94Å; Y738-E844 HydrophobicContact CD2-CB 4.47Å; Y738-E844 HydrophobicContact CG-CB 3.74Å; L836-E844 PolarHBondContact N-O 2.71Å; L836-E844 VanDerWaalsContact N-O 3.1Å; E844-F1576 HydrophobicContact CG-CZ 4.12Å; E844-F1576 WeakPolarHBondContact OE1-CE1 3.49Å; E844-F1576 WeakPolarHBondContact OE1-CZ 3.45Å
845	P	92.5	Very high	87.6	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	162.8	171.5	31.4	-37	0	0	0	113.7	R734 L833 N834 Y835 W847 Y848	R734-P845 WeakPolarHBondContact CD-O 3.36Å; L833-P845 HydrophobicContact CB-CB 3.76Å; L833-P845 HydrophobicContact CB-CG 4.35Å; L833-P845 HydrophobicContact CD1-CB 4.21Å; L833-P845 HydrophobicContact CD1-CG 3.85Å; N834-P845 CarbonylContact O-C 3.6Å; N834-P845 WeakPolarHBondContact O-CA 3.16Å; N834-P845 WeakPolarHBondContact O-CB 3.49Å; Y835-P845 HydrophobicContact CD1-CB 4.27Å; Y835-P845 HydrophobicContact CE1-CB 4.41Å; Y835-P845 HydrophobicContact CE1-CG 4.39Å; P845-W847 PolarHBondContact O-N 3.48Å; P845-Y848 HydrophobicContact CG-CD1 4.18Å; P845-Y848 HydrophobicContact CG-CD2 3.93Å; P845-Y848 HydrophobicContact CG-CE1 3.93Å; P845-Y848 HydrophobicContact CG-CE2 3.68Å; P845-Y848 HydrophobicContact CG-CG 4.16Å
846	E	89	Confident	87.9	Confident	43 Å²	43	22.4 Å²	22.4	20%	0.201	11%	0.105	C	C	.	.	S	Bend	trans	-47.5	-46.9	170.8	-73	-177.6	-149.6	0	0	111.4	R683 R734 N834 L836	R683-E846 IonicContact CZ-OE1 3.7Å; R683-E846 IonicContact NH1-OE1 3.02Å; R683-E846 IonicContact NH1-OE2 2.67Å; R683-E846 IonicContact NH2-OE1 3.88Å; R683-E846 PolarHBondContact NH2-OE1 3.24Å; R734-E846 PolarHBondContact NE-O 3.21Å; R734-E846 PolarHBondContact NH1-O 3.38Å; N834-E846 HydrophobicContact CB-CG 4.44Å; N834-E846 PolarHBondContact ND2-OE1 2.82Å; N834-E846 PolarHBondContact O-N 3.09Å; L836-E846 HydrophobicContact CD2-CG 3.92Å; L836-E846 HydrophobicContact CG-CG 4.33Å
847	W	93.1	Very high	88.5	Confident	43 Å²	43	21.5 Å²	21.5	16%	0.163	10%	0.1	C	C	.	.			trans	-155	147.6	175.1	39.1	-89.8	0	0	0	109.1	V726 D727 P845 C849 V1032 M1036	V726-W847 HydrophobicContact CB-CB 4.43Å; V726-W847 HydrophobicContact CB-CD2 4.12Å; V726-W847 HydrophobicContact CB-CE3 3.95Å; V726-W847 HydrophobicContact CB-CG 4.34Å; V726-W847 HydrophobicContact CG1-CD2 4.21Å; V726-W847 HydrophobicContact CG1-CE3 3.53Å; V726-W847 HydrophobicContact CG1-CZ3 3.81Å; V726-W847 HydrophobicContact CG2-CD2 4.13Å; V726-W847 HydrophobicContact CG2-CE3 4.24Å; V726-W847 HydrophobicContact CG2-CG 4.44Å; D727-W847 WeakPolarHBondContact OD2-CA 3.36Å; P845-W847 PolarHBondContact O-N 3.48Å; W847-C849 HydrophobicContact CE3-CB 4.41Å; W847-C849 HydrophobicContact CZ3-CB 4.08Å; W847-V1032 HydrophobicContact CH2-CG1 4.15Å; W847-V1032 HydrophobicContact CZ3-CG1 4.35Å; W847-M1036 HydrophobicContact CH2-CE 4.31Å; W847-M1036 HydrophobicContact CH2-CG 4.35Å; W847-M1036 HydrophobicContact CH2-SD 4.06Å; W847-M1036 HydrophobicContact CZ3-CE 4.04Å; W847-M1036 HydrophobicContact CZ3-CG 4.25Å; W847-M1036 HydrophobicContact CZ3-SD 4.26Å
848	Y	94.6	Very high	89.2	Confident	6 Å²	6	19.3 Å²	19.3	2%	0.024	9%	0.092	C	C	.	.			trans	-77.2	157.9	162.9	-77.4	-84	0	0	0	110.1	D727 R734 Y738 F741 F825 L833 P845 P850	D727-Y848 WeakPolarHBondContact CB-O 3.24Å; D727-Y848 PolarHBondContact OD2-N 2.73Å; R734-Y848 HydrophobicContact CG-CD2 3.81Å; R734-Y848 HydrophobicContact CG-CE2 3.81Å; Y738-Y848 WeakPolarHBondContact CA-OH 3.02Å; F741-Y848 AromaticContact CD2-CE1 3.74Å; F741-Y848 HydrophobicContact CD2-CE1 3.74Å; F741-Y848 HydrophobicContact CD2-CE2 4.5Å; F741-Y848 AromaticContact CD2-CZ 3.72Å; F741-Y848 HydrophobicContact CE2-CD1 4.1Å; F741-Y848 AromaticContact CE2-CE1 3.7Å; F741-Y848 HydrophobicContact CE2-CE1 3.7Å; F741-Y848 HydrophobicContact CE2-CE2 4.31Å; F741-Y848 AromaticContact CE2-CZ 3.84Å; F825-Y848 HydrophobicContact CD1-CD1 4.49Å; F825-Y848 HydrophobicContact CD1-CG 4.19Å; F825-Y848 HydrophobicContact CE1-CG 4.36Å; L833-Y848 HydrophobicContact CD1-CD1 3.45Å; L833-Y848 VanDerWaalsContact CD1-CD1 3.45Å; L833-Y848 HydrophobicContact CD1-CE1 3.69Å; L833-Y848 HydrophobicContact CD1-CG 4.31Å; P845-Y848 HydrophobicContact CG-CD1 4.18Å; P845-Y848 HydrophobicContact CG-CD2 3.93Å; P845-Y848 HydrophobicContact CG-CE1 3.93Å; P845-Y848 HydrophobicContact CG-CE2 3.68Å; P845-Y848 HydrophobicContact CG-CG 4.16Å; Y848-P850 WeakPolarHBondContact O-CD 3.24Å
849	C	94.6	Very high	90.2	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.02	10%	0.095	C	C	.	.			trans	-109.6	96.4	168.5	-158.4	0	0	0	0	108.4	L833 W847 R1033 M1036	L833-C849 HydrophobicContact CD2-CB 4.24Å; W847-C849 HydrophobicContact CE3-CB 4.41Å; W847-C849 HydrophobicContact CZ3-CB 4.08Å; C849-R1033 PolarHBondContact O-NH1 2.96Å; C849-R1033 WeakPolarHBondContact SG-CD 3.35Å; C849-R1033 PolarHBondContact SG-NH1 2.86Å; C849-R1033 VanDerWaalsContact SG-NH1 3.44Å; C849-M1036 HydrophobicContact CB-CB 4.49Å; C849-M1036 HydrophobicContact CB-CE 4.19Å; C849-M1036 HydrophobicContact CB-CG 4.26Å
850	P	95.8	Very high	91.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.			trans	-71.5	169.8	171.1	29.6	-33.4	0	0	0	111.2	V726 L824 F825 Y848 L852 F1029 R1033	V726-P850 VanDerWaalsContact O-CD 3.23Å; V726-P850 WeakPolarHBondContact O-CD 3.46Å; V726-P850 VanDerWaalsContact O-CG 3.26Å; V726-P850 WeakPolarHBondContact O-CG 3.34Å; L824-P850 HydrophobicContact CD1-CB 4.34Å; L824-P850 HydrophobicContact CG-CB 4.39Å; L824-P850 CarbonylContact O-C 3.54Å; L824-P850 WeakPolarHBondContact O-CA 3.38Å; L824-P850 WeakPolarHBondContact O-CB 3.28Å; F825-P850 HydrophobicContact CD1-CB 3.81Å; F825-P850 HydrophobicContact CE1-CB 3.59Å; F825-P850 HydrophobicContact CE1-CG 3.95Å; F825-P850 HydrophobicContact CZ-CB 4.12Å; Y848-P850 WeakPolarHBondContact O-CD 3.24Å; P850-L852 WeakPolarHBondContact CB-O 3.44Å; P850-L852 WeakPolarHBondContact CG-O 3.45Å; P850-F1029 HydrophobicContact CG-CE2 4.05Å; P850-F1029 HydrophobicContact CG-CZ 4.41Å; P850-F1029 WeakPolarHBondContact O-CZ 3.32Å; P850-R1033 VanDerWaalsContact O-CD 3.26Å; P850-R1033 WeakPolarHBondContact O-CD 3.44Å; P850-R1033 PolarHBondContact O-NE 3.02Å
851	I	95.6	Very high	92.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-81.3	-17.1	175.4	62.2	157.4	0	0	0	113.8	L824 W1178 D1181 L1182 F1185	L824-I851 HydrophobicContact CD1-CG1 4Å; L824-I851 PolarHBondContact O-N 3.41Å; I851-W1178 PolarHBondContact O-NE1 3.46Å; I851-D1181 HydrophobicContact CG2-CB 3.99Å; I851-L1182 HydrophobicContact CD1-CD2 4.38Å; I851-F1185 HydrophobicContact CD1-CB 3.32Å; I851-F1185 HydrophobicContact CD1-CD1 4.32Å; I851-F1185 HydrophobicContact CD1-CD2 4.11Å; I851-F1185 HydrophobicContact CD1-CG 3.67Å
852	L	94.8	Very high	93.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-129.6	151.3	177.1	-61.9	-174.6	0	0	0	109.5	L824 P850 T854 V857 V880 L883 L1182 F1185	L824-L852 HydrophobicContact CD1-CB 4Å; L824-L852 HydrophobicContact CD1-CD1 4.41Å; L824-L852 HydrophobicContact CD1-CG 4.23Å; P850-L852 WeakPolarHBondContact CB-O 3.44Å; P850-L852 WeakPolarHBondContact CG-O 3.45Å; L852-T854 PolarHBondContact O-N 2.84Å; L852-V857 HydrophobicContact CD1-CG2 4.41Å; L852-V880 HydrophobicContact CD1-CG2 4Å; L852-V880 HydrophobicContact CD2-CG2 3.79Å; L852-V880 HydrophobicContact CG-CG2 4.49Å; L852-L883 HydrophobicContact CD2-CD1 3.39Å; L852-L1182 HydrophobicContact CD2-CD2 3.48Å; L852-L1182 VanDerWaalsContact CD2-CD2 3.48Å; L852-L1182 HydrophobicContact CG-CD2 4.46Å; L852-F1185 HydrophobicContact CD1-CD1 4.17Å; L852-F1185 HydrophobicContact CD1-CE1 3.49Å; L852-F1185 VanDerWaalsContact CD1-CE1 3.49Å; L852-F1185 HydrophobicContact CD1-CE2 4.39Å; L852-F1185 HydrophobicContact CD1-CZ 3.61Å
853	P	94.8	Very high	93.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.			trans	-70.9	93	172.4	29.8	-33.4	0	0	0	110.3	V855 L856 V857 L879 L1026 F1029	P853-V855 HydrophobicContact CB-CG1 4.44Å; P853-V855 PolarHBondContact O-N 2.84Å; P853-V855 VanDerWaalsContact O-N 3.11Å; P853-L856 HydrophobicContact CB-CD1 4.4Å; P853-L856 HydrophobicContact CB-CG 4.41Å; P853-L856 HydrophobicContact CG-CB 4.39Å; P853-L856 HydrophobicContact CG-CD1 3.94Å; P853-L856 HydrophobicContact CG-CG 4.34Å; P853-L856 PolarHBondContact O-N 2.9Å; P853-V857 PolarHBondContact O-N 2.85Å; P853-L879 HydrophobicContact CG-CD2 4.13Å; P853-L1026 HydrophobicContact CG-CD1 3.61Å; P853-F1029 HydrophobicContact CB-CB 4.1Å; P853-F1029 HydrophobicContact CB-CD1 4.01Å; P853-F1029 HydrophobicContact CB-CD2 3.87Å; P853-F1029 HydrophobicContact CB-CE1 4.44Å; P853-F1029 HydrophobicContact CB-CE2 4.31Å; P853-F1029 HydrophobicContact CB-CG 3.71Å; P853-F1029 HydrophobicContact CG-CD1 4.08Å; P853-F1029 HydrophobicContact CG-CE1 4.45Å; P853-F1029 HydrophobicContact CG-CG 4.26Å
854	T	95.2	Very high	93.2	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.037	10%	0.104	C	C	.	.	H	α-helix	trans	-54.4	-28.6	179	19.4	0	0	0	0	113.5	D727 L824 F825 L852 L856 V857 N858	D727-T854 WeakPolarHBondContact O-CB 3.18Å; D727-T854 PolarHBondContact O-OG1 2.85Å; L824-T854 HydrophobicContact CD1-CG2 4.32Å; L824-T854 HydrophobicContact CD2-CG2 3.58Å; L824-T854 HydrophobicContact CG-CG2 4.09Å; F825-T854 HydrophobicContact CZ-CG2 4.28Å; L852-T854 PolarHBondContact O-N 2.84Å; T854-L856 PolarHBondContact O-N 2.89Å; T854-V857 PolarHBondContact O-N 2.68Å; T854-N858 PolarHBondContact O-N 2.89Å
855	V	95.6	Very high	92.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.1	-29.7	173.4	76.7	0	0	0	0	113.4	P723 P853 G859 A860 V871 L1009 I1025	P723-V855 HydrophobicContact CG-CG2 4.36Å; P853-V855 HydrophobicContact CB-CG1 4.44Å; P853-V855 PolarHBondContact O-N 2.84Å; P853-V855 VanDerWaalsContact O-N 3.11Å; V855-G859 CarbonylContact O-C 3.56Å; V855-G859 WeakPolarHBondContact O-CA 3.18Å; V855-G859 PolarHBondContact O-N 3.31Å; V855-A860 HydrophobicContact CG2-CB 4Å; V855-V871 HydrophobicContact CG2-CG2 4.39Å; V855-V871 WeakPolarHBondContact O-CG1 3.23Å; V855-L1009 HydrophobicContact CB-CD1 4.48Å; V855-L1009 HydrophobicContact CG1-CD1 3.97Å; V855-L1009 HydrophobicContact CG2-CD1 3.82Å; V855-L1009 HydrophobicContact CG2-CD2 3.64Å; V855-L1009 HydrophobicContact CG2-CG 4.4Å; V855-I1025 HydrophobicContact CG1-CG2 3.89Å
856	L	96.4	Very high	92.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-86.8	-28.9	171.9	-62.6	-179.5	0	0	0	111.4	P853 T854 V871 N873 F874 L879 M895 A1022 I1025 L1026	P853-L856 HydrophobicContact CB-CD1 4.4Å; P853-L856 HydrophobicContact CB-CG 4.41Å; P853-L856 HydrophobicContact CG-CB 4.39Å; P853-L856 HydrophobicContact CG-CD1 3.94Å; P853-L856 HydrophobicContact CG-CG 4.34Å; P853-L856 PolarHBondContact O-N 2.9Å; T854-L856 PolarHBondContact O-N 2.89Å; L856-V871 HydrophobicContact CD2-CG1 3.95Å; L856-N873 CarbonylContact O-C 3.26Å; L856-F874 HydrophobicContact CB-CD2 4.09Å; L856-F874 HydrophobicContact CD2-CD2 3.94Å; L856-F874 HydrophobicContact CD2-CE2 3.91Å; L856-F874 WeakPolarHBondContact O-CB 3.3Å; L856-F874 PolarHBondContact O-N 2.87Å; L856-L879 HydrophobicContact CB-CD1 3.92Å; L856-L879 HydrophobicContact CB-CD2 3.96Å; L856-L879 HydrophobicContact CD1-CD2 3.67Å; L856-L879 HydrophobicContact CG-CD2 4.48Å; L856-M895 HydrophobicContact CD1-CE 4.26Å; L856-A1022 HydrophobicContact CD1-CB 4.39Å; L856-A1022 HydrophobicContact CD2-CB 4.02Å; L856-I1025 HydrophobicContact CD1-CB 4.26Å; L856-I1025 HydrophobicContact CD1-CG2 3.82Å; L856-I1025 HydrophobicContact CD2-CB 4.3Å; L856-I1025 HydrophobicContact CD2-CD1 4.04Å; L856-I1025 HydrophobicContact CD2-CG2 3.89Å; L856-I1025 HydrophobicContact CG-CG2 3.77Å; L856-L1026 HydrophobicContact CD1-CB 4.25Å
857	V	96.4	Very high	92.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-66.7	-56.9	178	173.9	0	0	0	0	111.6	N787 I788 L852 P853 T854 P876 L879	N787-V857 HydrophobicContact CB-CG1 4.29Å; N787-V857 WeakPolarHBondContact CB-O 3.47Å; N787-V857 PolarHBondContact ND2-O 3.4Å; N787-V857 VanDerWaalsContact ND2-O 3.14Å; I788-V857 HydrophobicContact CB-CG1 4.16Å; I788-V857 HydrophobicContact CD1-CG1 3.96Å; I788-V857 HydrophobicContact CG1-CG1 3.88Å; L852-V857 HydrophobicContact CD1-CG2 4.41Å; P853-V857 PolarHBondContact O-N 2.85Å; T854-V857 PolarHBondContact O-N 2.68Å; V857-P876 HydrophobicContact CG1-CG 4.14Å; V857-L879 HydrophobicContact CG2-CD1 3.67Å
858	N	95.3	Very high	92.5	Very high	26 Å²	26	20.7 Å²	20.7	14%	0.139	12%	0.119	C	C	.	.	S	Bend	trans	-99.6	-2.5	-174.6	-75.1	-19.6	0	0	0	113.9	N787 I788 T854 N873	N787-N858 PolarHBondContact N-OD1 3.46Å; I788-N858 PolarHBondContact N-OD1 3.29Å; I788-N858 PolarHBondContact O-ND2 3.23Å; I788-N858 PolarHBondContact O-OD1 3.01Å; T854-N858 PolarHBondContact O-N 2.89Å; N858-N873 PolarHBondContact O-ND2 3.16Å; N858-N873 PolarHBondContact O-OD1 2.9Å
859	G	93.3	Very high	92.5	Very high	12 Å²	12	20.5 Å²	20.5	12%	0.124	12%	0.119	C	C	.	.			trans	70	-175.1	-171	0	0	0	0	0	112.6	V855 V871	V855-G859 CarbonylContact O-C 3.56Å; V855-G859 WeakPolarHBondContact O-CA 3.18Å; V855-G859 PolarHBondContact O-N 3.31Å; G859-V871 CarbonylContact C-O 3.54Å; G859-V871 WeakPolarHBondContact CA-O 3.38Å
860	A	93.5	Very high	92.4	Very high	16 Å²	16	24.1 Å²	24.1	13%	0.132	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	139	174.1	0	0	0	0	0	111	P723 V855 K870 V871	P723-A860 HydrophobicContact CG-CB 3.63Å; V855-A860 HydrophobicContact CG2-CB 4Å; A860-K870 CarbonylContact O-C 3.54Å; A860-K870 WeakPolarHBondContact O-CA 3.27Å; A860-V871 HydrophobicContact CB-CB 4.15Å; A860-V871 HydrophobicContact CB-CG2 4.24Å; A860-V871 PolarHBondContact N-O 3.06Å; A860-V871 PolarHBondContact O-N 3.38Å
861	E	92	Very high	92.4	Very high	100 Å²	100	24.4 Å²	24.4	47%	0.467	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.5	171.5	-174	125.8	-142.4	0	0	110.3	K730 T869 K870	K730-E861 WeakPolarHBondContact CE-O 3.43Å; K730-E861 PolarHBondContact NZ-O 2.67Å; E861-T869 WeakPolarHBondContact CA-O 3.4Å; E861-K870 WeakPolarHBondContact OE1-CD 3.36Å; E861-K870 IonicContact OE1-NZ 3.79Å; E861-K870 PolarHBondContact OE1-NZ 3.2Å; E861-K870 IonicContact OE2-NZ 3.31Å; E861-K870 PolarHBondContact OE2-NZ 2.75Å
862	G	88	Confident	92.3	Very high	10 Å²	10	24.8 Å²	24.8	10%	0.103	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.3	154.7	176.3	0	0	0	0	0	113.6	S721 S868 T869	S721-G862 WeakPolarHBondContact O-CA 3.49Å; G862-S868 CarbonylContact O-C 3.56Å; G862-S868 WeakPolarHBondContact O-CA 3.48Å; G862-T869 PolarHBondContact N-O 3.43Å; G862-T869 VanDerWaalsContact N-O 3.14Å; G862-T869 PolarHBondContact O-N 2.78Å
863	I	88.9	Confident	92.4	Very high	133 Å²	133	25.4 Å²	25.4	68%	0.682	14%	0.141	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.1	180	-55.8	174.4	0	0	0	107.1	S721	S721-I863 WeakPolarHBondContact CB-O 3.35Å; S721-I863 PolarHBondContact OG-O 3.31Å
864	G	85.3	Confident	92.4	Very high	8 Å²	8	25.6 Å²	25.6	8%	0.082	14%	0.142	C	C	.	.			trans	-122	-175.9	172.6	0	0	0	0	0	110.4	A866 W867	G864-A866 PolarHBondContact O-N 2.64Å; G864-W867 CarbonylContact C-O 3.59Å; G864-W867 PolarHBondContact N-O 3.09Å; G864-W867 PolarHBondContact O-N 3.26Å
865	T	86.3	Confident	92.4	Very high	20 Å²	20	26.3 Å²	26.3	12%	0.123	15%	0.146	C	C	.	.	S	Bend	trans	-65.9	114.5	-175	-72.5	0	0	0	0	110.5	R668 L672 D717 N718 W867	R668-T865 VanDerWaalsContact CD-CG2 3.49Å; R668-T865 HydrophobicContact CG-CG2 4.49Å; L672-T865 HydrophobicContact CD1-CG2 4.24Å; L672-T865 VanDerWaalsContact CD1-O 3.3Å; L672-T865 WeakPolarHBondContact CD1-O 3.48Å; D717-T865 WeakPolarHBondContact OD2-CA 3.36Å; D717-T865 WeakPolarHBondContact OD2-CB 3.24Å; D717-T865 PolarHBondContact OD2-N 3.01Å; D717-T865 PolarHBondContact OD2-OG1 2.93Å; N718-T865 PolarHBondContact ND2-N 3.01Å; N718-T865 PolarHBondContact ND2-O 3.4Å; N718-T865 PolarHBondContact OD1-N 2.9Å; N718-T865 PolarHBondContact OD1-O 3.27Å; T865-W867 PolarHBondContact O-N 2.95Å; T865-W867 VanDerWaalsContact O-N 3.14Å
866	A	86.6	Confident	92.4	Very high	19 Å²	19	26.5 Å²	26.5	16%	0.157	15%	0.147	C	C	.	.	S	Bend	trans	65.2	-9.7	-173.9	0	0	0	0	0	117.3	V665 R668 K669 G864	V665-A866 HydrophobicContact CG1-CB 4.34Å; R668-A866 HydrophobicContact CB-CB 3.96Å; R668-A866 HydrophobicContact CG-CB 4.17Å; K669-A866 WeakPolarHBondContact CE-O 3.32Å; K669-A866 HydrophobicContact CG-CB 3.93Å; G864-A866 PolarHBondContact O-N 2.64Å
867	W	88.8	Confident	92.4	Very high	38 Å²	38	29.6 Å²	29.6	14%	0.144	16%	0.159	C	C	.	.			trans	-118.1	155.9	-179.6	-62.8	93.7	0	0	0	113.3	K669 N718 I722 G864 T865 V1008 L1016	K669-W867 HydrophobicContact CB-CH2 4.38Å; K669-W867 HydrophobicContact CB-CZ2 3.66Å; K669-W867 HydrophobicContact CD-CD2 4.32Å; K669-W867 HydrophobicContact CD-CE3 4.38Å; K669-W867 HydrophobicContact CD-CH2 4.31Å; K669-W867 HydrophobicContact CD-CZ2 4.22Å; K669-W867 HydrophobicContact CD-CZ3 4.38Å; K669-W867 HydrophobicContact CG-CD2 4.02Å; K669-W867 HydrophobicContact CG-CG 4.46Å; K669-W867 HydrophobicContact CG-CH2 4.42Å; K669-W867 HydrophobicContact CG-CZ2 3.84Å; N718-W867 WeakPolarHBondContact OD1-CB 3.43Å; I722-W867 HydrophobicContact CD1-CB 3.65Å; G864-W867 CarbonylContact C-O 3.59Å; G864-W867 PolarHBondContact N-O 3.09Å; G864-W867 PolarHBondContact O-N 3.26Å; T865-W867 PolarHBondContact O-N 2.95Å; T865-W867 VanDerWaalsContact O-N 3.14Å; W867-V1008 HydrophobicContact CD2-CG1 4.43Å; W867-V1008 HydrophobicContact CE3-CG1 3.78Å; W867-V1008 HydrophobicContact CE3-CG2 4.17Å; W867-V1008 HydrophobicContact CZ3-CG1 4.23Å; W867-V1008 HydrophobicContact CZ3-CG2 4.4Å; W867-L1016 HydrophobicContact CB-CD1 4.13Å; W867-L1016 HydrophobicContact CD2-CD1 3.95Å; W867-L1016 HydrophobicContact CG-CD1 3.59Å
868	S	91	Very high	92.3	Very high	38 Å²	38	33.1 Å²	33.1	27%	0.266	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	135.3	176.7	66.6	0	0	0	0	109	G862 Q1006	G862-S868 CarbonylContact O-C 3.56Å; G862-S868 WeakPolarHBondContact O-CA 3.48Å; S868-Q1006 PolarHBondContact OG-NE2 3.08Å
869	T	94	Very high	92.3	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.7	171.6	-163.3	0	0	0	0	111.4	I722 E861 G862 Q1006 V1008	I722-T869 HydrophobicContact CB-CG2 4.49Å; I722-T869 HydrophobicContact CG1-CG2 4.21Å; I722-T869 HydrophobicContact CG2-CG2 4.31Å; E861-T869 WeakPolarHBondContact CA-O 3.4Å; G862-T869 PolarHBondContact N-O 3.43Å; G862-T869 VanDerWaalsContact N-O 3.14Å; G862-T869 PolarHBondContact O-N 2.78Å; T869-Q1006 CarbonylContact C-O 3.56Å; T869-Q1006 WeakPolarHBondContact CA-O 3.49Å; T869-V1008 WeakPolarHBondContact CB-O 3.17Å; T869-V1008 PolarHBondContact OG1-N 3.35Å; T869-V1008 PolarHBondContact OG1-O 3.43Å
870	K	93.6	Very high	92.5	Very high	79 Å²	79	31.3 Å²	31.3	34%	0.343	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	93.8	168.7	-160.9	176.8	-175.2	89.1	0	108.6	A860 E861 Q1006	A860-K870 CarbonylContact O-C 3.54Å; A860-K870 WeakPolarHBondContact O-CA 3.27Å; E861-K870 WeakPolarHBondContact OE1-CD 3.36Å; E861-K870 IonicContact OE1-NZ 3.79Å; E861-K870 PolarHBondContact OE1-NZ 3.2Å; E861-K870 IonicContact OE2-NZ 3.31Å; E861-K870 PolarHBondContact OE2-NZ 2.75Å; K870-Q1006 HydrophobicContact CB-CB 4.4Å; K870-Q1006 PolarHBondContact N-O 3.35Å
871	V	94.8	Very high	92.6	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.1	175.2	-174.3	0	0	0	0	107.6	V855 L856 G859 A860 M1007 L1009	V855-V871 HydrophobicContact CG2-CG2 4.39Å; V855-V871 WeakPolarHBondContact O-CG1 3.23Å; L856-V871 HydrophobicContact CD2-CG1 3.95Å; G859-V871 CarbonylContact C-O 3.54Å; G859-V871 WeakPolarHBondContact CA-O 3.38Å; A860-V871 HydrophobicContact CB-CB 4.15Å; A860-V871 HydrophobicContact CB-CG2 4.24Å; A860-V871 PolarHBondContact N-O 3.06Å; A860-V871 PolarHBondContact O-N 3.38Å; V871-M1007 HydrophobicContact CB-CG 4.46Å; V871-M1007 HydrophobicContact CG1-SD 4.42Å; V871-M1007 HydrophobicContact CG2-CB 4.13Å; V871-M1007 HydrophobicContact CG2-CG 4.03Å; V871-L1009 HydrophobicContact CG2-CD2 4.27Å
872	P	94.4	Very high	92.8	Very high	7 Å²	7	28.6 Å²	28.6	5%	0.045	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-78.4	159.6	176.2	33.8	-34.8	0	0	0	111.4	F874 P897 Y899 I1002 T1004	P872-F874 HydrophobicContact CG-CE2 3.92Å; P872-F874 HydrophobicContact CG-CZ 4.17Å; P872-F874 WeakPolarHBondContact O-CD2 3.47Å; P872-F874 VanDerWaalsContact O-CE2 3.25Å; P872-F874 WeakPolarHBondContact O-CE2 3.39Å; P872-P897 HydrophobicContact CB-CB 4.15Å; P872-P897 HydrophobicContact CB-CG 4.26Å; P872-P897 HydrophobicContact CG-CB 4.38Å; P872-P897 HydrophobicContact CG-CG 3.99Å; P872-Y899 WeakPolarHBondContact CB-OH 3.45Å; P872-I1002 HydrophobicContact CB-CG2 3.72Å; P872-I1002 HydrophobicContact CG-CG2 4.05Å; P872-T1004 HydrophobicContact CG-CG2 3.87Å
873	N	95.5	Very high	93.2	Very high	13 Å²	13	28.1 Å²	28.1	7%	0.07	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-71.7	148.3	176.4	-49.3	35.7	0	0	0	111.2	S785 N787 L856 N858 P897 W898 Y899	S785-N873 PolarHBondContact O-ND2 2.85Å; N787-N873 WeakPolarHBondContact ND2-CB 3.31Å; L856-N873 CarbonylContact O-C 3.26Å; N858-N873 PolarHBondContact O-ND2 3.16Å; N858-N873 PolarHBondContact O-OD1 2.9Å; N873-P897 CarbonylContact O-C 3.55Å; N873-P897 VanDerWaalsContact O-CA 3.25Å; N873-P897 WeakPolarHBondContact O-CA 3.4Å; N873-W898 CarbonylContact C-O 3.51Å; N873-W898 WeakPolarHBondContact CB-O 3.32Å; N873-W898 PolarHBondContact O-N 3.46Å; N873-Y899 HydrophobicContact CB-CD1 3.91Å; N873-Y899 HydrophobicContact CB-CE1 3.69Å; N873-Y899 WeakPolarHBondContact OD1-CE1 3.46Å
874	F	95.9	Very high	93.6	Very high	5 Å²	5	24.4 Å²	24.4	2%	0.022	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-128.6	161.7	174.6	-67.3	-94	0	0	0	110.2	N787 L856 P872 L879 M895 H896 P897 A1022	N787-F874 PolarHBondContact ND2-O 3.42Å; L856-F874 HydrophobicContact CB-CD2 4.09Å; L856-F874 HydrophobicContact CD2-CD2 3.94Å; L856-F874 HydrophobicContact CD2-CE2 3.91Å; L856-F874 WeakPolarHBondContact O-CB 3.3Å; L856-F874 PolarHBondContact O-N 2.87Å; P872-F874 HydrophobicContact CG-CE2 3.92Å; P872-F874 HydrophobicContact CG-CZ 4.17Å; P872-F874 WeakPolarHBondContact O-CD2 3.47Å; P872-F874 VanDerWaalsContact O-CE2 3.25Å; P872-F874 WeakPolarHBondContact O-CE2 3.39Å; F874-L879 HydrophobicContact CB-CD1 4.33Å; F874-M895 HydrophobicContact CD1-CB 3.76Å; F874-M895 HydrophobicContact CE1-CB 3.95Å; F874-H896 VanDerWaalsContact CD1-O 3.29Å; F874-H896 WeakPolarHBondContact CD1-O 3.28Å; F874-P897 HydrophobicContact CE1-CG 4.35Å; F874-P897 HydrophobicContact CZ-CG 4.39Å; F874-A1022 HydrophobicContact CE1-CB 4.02Å; F874-A1022 HydrophobicContact CE2-CB 3.86Å; F874-A1022 HydrophobicContact CZ-CB 3.53Å
875	N	95.8	Very high	94.1	Very high	21 Å²	21	26.3 Å²	26.3	11%	0.112	13%	0.127	C	C	.	.			trans	-69.3	124.5	179.1	175	11	0	0	0	110.9	R877 D878 L879 W898	N875-R877 PolarHBondContact O-N 3.32Å; N875-R877 VanDerWaalsContact O-N 3.15Å; N875-R877 WeakPolarHBondContact OD1-CB 3.16Å; N875-R877 PolarHBondContact OD1-N 3.28Å; N875-D878 HydrophobicContact CB-CB 4.24Å; N875-D878 VanDerWaalsContact CB-OD2 3.24Å; N875-D878 WeakPolarHBondContact CB-OD2 3.38Å; N875-D878 PolarHBondContact ND2-OD1 3.29Å; N875-D878 PolarHBondContact ND2-OD2 2.68Å; N875-D878 PolarHBondContact O-N 3.14Å; N875-L879 PolarHBondContact O-N 3.44Å; N875-W898 HydrophobicContact CB-CB 4.05Å; N875-W898 HydrophobicContact CB-CD2 3.88Å; N875-W898 HydrophobicContact CB-CE3 3.94Å; N875-W898 HydrophobicContact CB-CG 3.93Å
876	P	95.4	Very high	94.5	Very high	4 Å²	4	26 Å²	26	3%	0.026	13%	0.125	C	C	.	.	H	α-helix	trans	-54	-33.2	175.3	-25.9	33.7	0	0	0	113.8	I788 V857 L879 V880 F1185 L1189	I788-P876 HydrophobicContact CD1-CB 4.24Å; I788-P876 HydrophobicContact CD1-CG 3.89Å; I788-P876 HydrophobicContact CG1-CG 4.18Å; V857-P876 HydrophobicContact CG1-CG 4.14Å; P876-L879 PolarHBondContact O-N 2.93Å; P876-V880 VanDerWaalsContact O-CG2 3.29Å; P876-V880 WeakPolarHBondContact O-CG2 3.24Å; P876-V880 PolarHBondContact O-N 3.1Å; P876-F1185 HydrophobicContact CB-CZ 4.48Å; P876-L1189 HydrophobicContact CB-CD2 4.17Å
877	R	95.4	Very high	94.8	Very high	65 Å²	65	25.6 Å²	25.6	25%	0.245	12%	0.119	C	C	.	.	H	α-helix	trans	-73.9	-35.9	-175.8	-61.8	-176.5	165.6	80.4	-6	112.4	N875 L879 V880 E881 M1186 E1190 E1193	N875-R877 PolarHBondContact O-N 3.32Å; N875-R877 VanDerWaalsContact O-N 3.15Å; N875-R877 WeakPolarHBondContact OD1-CB 3.16Å; N875-R877 PolarHBondContact OD1-N 3.28Å; R877-L879 VanDerWaalsContact C-N 3.33Å; R877-V880 PolarHBondContact O-N 2.96Å; R877-E881 PolarHBondContact O-N 3.1Å; R877-M1186 HydrophobicContact CG-CE 3.98Å; R877-M1186 HydrophobicContact CG-SD 4.11Å; R877-E1190 IonicContact NE-OE1 3.88Å; R877-E1190 VanDerWaalsContact NH2-CG 3.25Å; R877-E1190 IonicContact NH2-OE1 2.71Å; R877-E1193 IonicContact CZ-OE1 3.34Å; R877-E1193 IonicContact CZ-OE2 3.82Å; R877-E1193 IonicContact NH1-OE1 2.67Å; R877-E1193 PolarHBondContact NH1-OE1 3.06Å; R877-E1193 IonicContact NH1-OE2 2.65Å; R877-E1193 PolarHBondContact NH1-OE2 3.45Å; R877-E1193 IonicContact NH2-OE1 3.15Å; R877-E1193 PolarHBondContact NH2-OE1 2.9Å; R877-E1193 IonicContact NH2-OE2 2.7Å; R877-E1193 PolarHBondContact NH2-OE2 3.22Å
878	D	95.3	Very high	95.1	Very high	73 Å²	73	29.9 Å²	29.9	39%	0.39	14%	0.135	S	C	.	.	H	α-helix	trans	-71	-33.5	175.6	-56.4	-20.2	0	0	0	110.8	N875 N882	N875-D878 HydrophobicContact CB-CB 4.24Å; N875-D878 VanDerWaalsContact CB-OD2 3.24Å; N875-D878 WeakPolarHBondContact CB-OD2 3.38Å; N875-D878 PolarHBondContact ND2-OD1 3.29Å; N875-D878 PolarHBondContact ND2-OD2 2.68Å; N875-D878 PolarHBondContact O-N 3.14Å; D878-N882 WeakPolarHBondContact O-CB 3.49Å; D878-N882 PolarHBondContact O-N 3.02Å
879	L	95.7	Very high	95.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.1	-46.4	171.8	-70.5	165.2	0	0	0	111.9	P853 L856 V857 F874 N875 P876 R877 E881 N882 L883 M895 L1026	P853-L879 HydrophobicContact CG-CD2 4.13Å; L856-L879 HydrophobicContact CB-CD1 3.92Å; L856-L879 HydrophobicContact CB-CD2 3.96Å; L856-L879 HydrophobicContact CD1-CD2 3.67Å; L856-L879 HydrophobicContact CG-CD2 4.48Å; V857-L879 HydrophobicContact CG2-CD1 3.67Å; F874-L879 HydrophobicContact CB-CD1 4.33Å; N875-L879 PolarHBondContact O-N 3.44Å; P876-L879 PolarHBondContact O-N 2.93Å; R877-L879 VanDerWaalsContact C-N 3.33Å; L879-E881 PolarHBondContact O-N 3.43Å; L879-N882 PolarHBondContact O-N 3.45Å; L879-L883 WeakPolarHBondContact O-CG 3.22Å; L879-L883 PolarHBondContact O-N 2.8Å; L879-M895 HydrophobicContact CD2-CE 3.79Å; L879-M895 HydrophobicContact CD2-SD 3.58Å; L879-M895 VanDerWaalsContact CD2-SD 3.58Å; L879-M895 HydrophobicContact CG-SD 4.12Å; L879-L1026 HydrophobicContact CD2-CD1 4.14Å; L879-L1026 HydrophobicContact CD2-CD2 4.49Å
880	V	96.5	Very high	95.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-57.9	-46.8	174.5	168.4	0	0	0	0	110.9	L852 P876 R877 L883 R884 L1182 F1185 M1186	L852-V880 HydrophobicContact CD1-CG2 4Å; L852-V880 HydrophobicContact CD2-CG2 3.79Å; L852-V880 HydrophobicContact CG-CG2 4.49Å; P876-V880 VanDerWaalsContact O-CG2 3.29Å; P876-V880 WeakPolarHBondContact O-CG2 3.24Å; P876-V880 PolarHBondContact O-N 3.1Å; R877-V880 PolarHBondContact O-N 2.96Å; V880-L883 PolarHBondContact O-N 2.93Å; V880-R884 WeakPolarHBondContact O-CG 3.27Å; V880-R884 PolarHBondContact O-N 2.91Å; V880-L1182 HydrophobicContact CG1-CD2 4.43Å; V880-L1182 HydrophobicContact CG2-CD2 4.15Å; V880-F1185 HydrophobicContact CG2-CD1 4.27Å; V880-F1185 HydrophobicContact CG2-CE1 4.14Å; V880-M1186 HydrophobicContact CB-SD 4.46Å; V880-M1186 HydrophobicContact CG1-CG 4.11Å; V880-M1186 HydrophobicContact CG1-SD 4.4Å; V880-M1186 HydrophobicContact CG2-CG 4.29Å; V880-M1186 HydrophobicContact CG2-SD 4.04Å
881	E	96.2	Very high	95.1	Very high	54 Å²	54	38.4 Å²	38.4	25%	0.252	19%	0.186	S	C	.	.	H	α-helix	trans	-68.7	-38	-178.9	-179.3	56.9	-164.8	0	0	112.4	R877 L879 R884 R885	R877-E881 PolarHBondContact O-N 3.1Å; L879-E881 PolarHBondContact O-N 3.43Å; E881-R884 PolarHBondContact O-N 3.26Å; E881-R884 IonicContact OE2-NH1 3.18Å; E881-R885 VanDerWaalsContact O-CG 3.28Å; E881-R885 WeakPolarHBondContact O-CG 3.38Å; E881-R885 PolarHBondContact O-N 3.05Å; E881-R885 IonicContact OE1-CZ 2.71Å; E881-R885 IonicContact OE1-NE 4Å; E881-R885 PolarHBondContact OE1-NE 2.76Å; E881-R885 IonicContact OE1-NH2 2.89Å; E881-R885 PolarHBondContact OE1-NH2 2.66Å
882	N	96.4	Very high	95	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-69.3	-30.4	173.2	-85.2	-36.8	0	0	0	113.5	D878 L879 R885 L886 M892 I893 M895 L1026	D878-N882 WeakPolarHBondContact O-CB 3.49Å; D878-N882 PolarHBondContact O-N 3.02Å; L879-N882 PolarHBondContact O-N 3.45Å; N882-R885 WeakPolarHBondContact O-CB 3.39Å; N882-R885 PolarHBondContact O-N 2.87Å; N882-L886 WeakPolarHBondContact O-CG 3.38Å; N882-L886 PolarHBondContact O-N 3.01Å; N882-M892 HydrophobicContact CB-CG 4.38Å; N882-M892 WeakPolarHBondContact OD1-CA 3.47Å; N882-I893 PolarHBondContact ND2-O 2.84Å; N882-I893 PolarHBondContact OD1-N 3.43Å; N882-M895 WeakPolarHBondContact ND2-CG 3.36Å; N882-M895 PolarHBondContact ND2-SD 2.97Å; N882-M895 VanDerWaalsContact ND2-SD 3.4Å; N882-L1026 HydrophobicContact CB-CD2 3.56Å
883	L	95.5	Very high	94.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.6	-43.9	169.5	-73.3	172.2	0	0	0	111.6	L852 L879 V880 R885 L886 I887 L1026 Y1030 W1178 L1182	L852-L883 HydrophobicContact CD2-CD1 3.39Å; L879-L883 WeakPolarHBondContact O-CG 3.22Å; L879-L883 PolarHBondContact O-N 2.8Å; V880-L883 PolarHBondContact O-N 2.93Å; L883-R885 PolarHBondContact O-N 2.9Å; L883-L886 HydrophobicContact CD2-CD1 4.41Å; L883-L886 PolarHBondContact O-N 2.89Å; L883-L886 VanDerWaalsContact O-N 3.16Å; L883-I887 WeakPolarHBondContact O-CB 3.43Å; L883-I887 VanDerWaalsContact O-CG1 3.24Å; L883-I887 WeakPolarHBondContact O-CG1 3.3Å; L883-I887 PolarHBondContact O-N 3.06Å; L883-L1026 HydrophobicContact CD1-CD1 4.48Å; L883-L1026 HydrophobicContact CD2-CD1 3.67Å; L883-L1026 HydrophobicContact CD2-CG 4.37Å; L883-L1026 HydrophobicContact CG-CD1 3.91Å; L883-Y1030 HydrophobicContact CD2-CD2 4.16Å; L883-W1178 HydrophobicContact CD1-CZ2 4Å; L883-W1178 HydrophobicContact CD2-CH2 3.9Å; L883-W1178 HydrophobicContact CD2-CZ2 3.7Å; L883-W1178 HydrophobicContact CG-CZ2 4.34Å; L883-L1182 HydrophobicContact CB-CD1 4.36Å; L883-L1182 HydrophobicContact CD1-CD2 4.29Å
884	R	96.6	Very high	94.7	Very high	56 Å²	56	48.3 Å²	48.3	21%	0.211	24%	0.241	C	C	.	.	H	α-helix	trans	-56.4	-37.4	172.2	-73	171.6	175.3	159.2	-2.5	111.7	V880 E881 R888 L1179 L1182 D1183	V880-R884 WeakPolarHBondContact O-CG 3.27Å; V880-R884 PolarHBondContact O-N 2.91Å; E881-R884 PolarHBondContact O-N 3.26Å; E881-R884 IonicContact OE2-NH1 3.18Å; R884-R888 VanDerWaalsContact O-CG 3.27Å; R884-R888 WeakPolarHBondContact O-CG 3.28Å; R884-R888 PolarHBondContact O-N 3.3Å; R884-R888 VanDerWaalsContact O-N 3.07Å; R884-L1179 HydrophobicContact CG-CD2 3.96Å; R884-L1182 HydrophobicContact CG-CD1 4.46Å; R884-D1183 IonicContact CZ-OD1 2.71Å; R884-D1183 IonicContact NE-OD1 3.07Å; R884-D1183 IonicContact NH2-OD1 3.3Å; R884-D1183 PolarHBondContact NH2-OD1 3.47Å
885	R	96.1	Very high	94.5	Very high	47 Å²	47	48.3 Å²	48.3	18%	0.177	24%	0.242	C	C	.	.	H	α-helix	trans	-63	-52.6	172.8	-73.3	167.8	-176.5	-61.3	-27.8	112.1	E881 N882 L883 I887 R888 D889 E890	E881-R885 VanDerWaalsContact O-CG 3.28Å; E881-R885 WeakPolarHBondContact O-CG 3.38Å; E881-R885 PolarHBondContact O-N 3.05Å; E881-R885 IonicContact OE1-CZ 2.71Å; E881-R885 IonicContact OE1-NE 4Å; E881-R885 PolarHBondContact OE1-NE 2.76Å; E881-R885 IonicContact OE1-NH2 2.89Å; E881-R885 PolarHBondContact OE1-NH2 2.66Å; N882-R885 WeakPolarHBondContact O-CB 3.39Å; N882-R885 PolarHBondContact O-N 2.87Å; L883-R885 PolarHBondContact O-N 2.9Å; R885-I887 VanDerWaalsContact C-N 3.29Å; R885-I887 PolarHBondContact O-N 3.15Å; R885-R888 CarbonylContact O-C 3.52Å; R885-R888 WeakPolarHBondContact O-CA 3.26Å; R885-R888 PolarHBondContact O-N 3.28Å; R885-D889 PolarHBondContact O-N 3.31Å; R885-E890 HydrophobicContact CB-CB 3.87Å; R885-E890 HydrophobicContact CG-CB 4.11Å; R885-E890 IonicContact CZ-OE2 2.75Å; R885-E890 IonicContact NH1-OE2 3.68Å; R885-E890 PolarHBondContact NH1-OE2 2.84Å; R885-E890 IonicContact NH2-OE2 3.95Å; R885-E890 WeakPolarHBondContact O-CB 3.38Å; R885-E890 PolarHBondContact O-N 3.24Å
886	L	94.4	Very high	94.3	Very high	15 Å²	15	52 Å²	52	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-58.9	-39.2	176.2	-70.3	172.6	0	0	0	112.4	N882 L883 R888 D889 M892 L1026 Y1030	N882-L886 WeakPolarHBondContact O-CG 3.38Å; N882-L886 PolarHBondContact O-N 3.01Å; L883-L886 HydrophobicContact CD2-CD1 4.41Å; L883-L886 PolarHBondContact O-N 2.89Å; L883-L886 VanDerWaalsContact O-N 3.16Å; L886-R888 VanDerWaalsContact C-N 3.29Å; L886-R888 PolarHBondContact O-N 3.23Å; L886-D889 PolarHBondContact O-N 2.82Å; L886-M892 HydrophobicContact CD1-CG 4.31Å; L886-M892 HydrophobicContact CD1-SD 3.82Å; L886-M892 HydrophobicContact CD2-CE 4.29Å; L886-M892 HydrophobicContact CD2-CG 3.9Å; L886-M892 HydrophobicContact CD2-SD 4.02Å; L886-M892 HydrophobicContact CG-CG 3.92Å; L886-M892 HydrophobicContact CG-SD 4.07Å; L886-L1026 HydrophobicContact CD1-CG 4.26Å; L886-Y1030 HydrophobicContact CB-CD2 3.66Å; L886-Y1030 HydrophobicContact CB-CE2 3.61Å; L886-Y1030 HydrophobicContact CB-CG 4.22Å; L886-Y1030 HydrophobicContact CD1-CD2 3.99Å; L886-Y1030 HydrophobicContact CD1-CG 3.95Å; L886-Y1030 HydrophobicContact CG-CD2 4.47Å; L886-Y1030 PolarHBondContact O-OH 3.44Å
887	I	94.6	Very high	94.2	Very high	9 Å²	9	52 Å²	52	5%	0.046	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-34.4	175	-69	167.4	0	0	0	111.6	L883 R885 D889 Y1030 K1175 W1178 L1179 L1182	L883-I887 WeakPolarHBondContact O-CB 3.43Å; L883-I887 VanDerWaalsContact O-CG1 3.24Å; L883-I887 WeakPolarHBondContact O-CG1 3.3Å; L883-I887 PolarHBondContact O-N 3.06Å; R885-I887 VanDerWaalsContact C-N 3.29Å; R885-I887 PolarHBondContact O-N 3.15Å; I887-D889 VanDerWaalsContact C-N 3.31Å; I887-Y1030 HydrophobicContact CG1-CE2 3.96Å; I887-K1175 HydrophobicContact CG2-CB 3.94Å; I887-K1175 HydrophobicContact CG2-CD 4.09Å; I887-K1175 HydrophobicContact CG2-CG 4.04Å; I887-K1175 WeakPolarHBondContact O-CD 3.3Å; I887-K1175 VanDerWaalsContact O-CE 3.25Å; I887-K1175 WeakPolarHBondContact O-CE 3.44Å; I887-K1175 PolarHBondContact O-NZ 2.95Å; I887-W1178 HydrophobicContact CD1-CB 4.13Å; I887-W1178 HydrophobicContact CD1-CD2 3.81Å; I887-W1178 HydrophobicContact CD1-CE3 3.92Å; I887-W1178 HydrophobicContact CD1-CG 3.92Å; I887-W1178 HydrophobicContact CG1-CD2 4.44Å; I887-W1178 HydrophobicContact CG1-CE3 4.05Å; I887-W1178 HydrophobicContact CG1-CZ3 4.46Å; I887-L1179 HydrophobicContact CB-CD2 4.5Å; I887-L1179 HydrophobicContact CD1-CD2 3.84Å; I887-L1179 HydrophobicContact CD1-CG 4.28Å; I887-L1179 HydrophobicContact CG2-CD1 4.09Å; I887-L1179 HydrophobicContact CG2-CD2 4.05Å; I887-L1179 HydrophobicContact CG2-CG 4.07Å; I887-L1182 HydrophobicContact CD1-CD1 3.97Å
888	R	94	Very high	94.2	Very high	128 Å²	128	53.4 Å²	53.4	48%	0.483	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	4	174.4	-63.4	167.6	-165.2	153.8	7.4	113.8	R884 R885 L886 E890	R884-R888 VanDerWaalsContact O-CG 3.27Å; R884-R888 WeakPolarHBondContact O-CG 3.28Å; R884-R888 PolarHBondContact O-N 3.3Å; R884-R888 VanDerWaalsContact O-N 3.07Å; R885-R888 CarbonylContact O-C 3.52Å; R885-R888 WeakPolarHBondContact O-CA 3.26Å; R885-R888 PolarHBondContact O-N 3.28Å; L886-R888 VanDerWaalsContact C-N 3.29Å; L886-R888 PolarHBondContact O-N 3.23Å; R888-E890 HydrophobicContact CB-CG 4.03Å; R888-E890 WeakPolarHBondContact CD-OE1 3.22Å; R888-E890 IonicContact CZ-OE1 3.95Å; R888-E890 IonicContact NE-OE1 2.89Å; R888-E890 IonicContact NH1-OE1 2.68Å; R888-E890 PolarHBondContact NH1-OE1 3.15Å; R888-E890 VanDerWaalsContact NH1-OE1 3.13Å; R888-E890 PolarHBondContact O-N 2.29Å
889	D	92.1	Very high	94.2	Very high	128 Å²	128	50.8 Å²	50.8	68%	0.684	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	25.2	-174	-48.1	-67.9	0	0	0	113.3	R885 L886 I887 K1175	R885-D889 PolarHBondContact O-N 3.31Å; L886-D889 PolarHBondContact O-N 2.82Å; I887-D889 VanDerWaalsContact C-N 3.31Å; D889-K1175 IonicContact OD1-NZ 3.05Å; D889-K1175 PolarHBondContact OD1-NZ 2.94Å; D889-K1175 IonicContact OD2-NZ 2.73Å; D889-K1175 PolarHBondContact OD2-NZ 3.48Å
890	E	93.5	Very high	94.1	Very high	64 Å²	64	52.1 Å²	52.1	30%	0.299	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-78.5	154.7	171.1	-70.5	-179.3	-125.9	0	0	112.1	R885 R888	R885-E890 HydrophobicContact CB-CB 3.87Å; R885-E890 HydrophobicContact CG-CB 4.11Å; R885-E890 IonicContact CZ-OE2 2.75Å; R885-E890 IonicContact NH1-OE2 3.68Å; R885-E890 PolarHBondContact NH1-OE2 2.84Å; R885-E890 IonicContact NH2-OE2 3.95Å; R885-E890 WeakPolarHBondContact O-CB 3.38Å; R885-E890 PolarHBondContact O-N 3.24Å; R888-E890 HydrophobicContact CB-CG 4.03Å; R888-E890 WeakPolarHBondContact CD-OE1 3.22Å; R888-E890 IonicContact CZ-OE1 3.95Å; R888-E890 IonicContact NE-OE1 2.89Å; R888-E890 IonicContact NH1-OE1 2.68Å; R888-E890 PolarHBondContact NH1-OE1 3.15Å; R888-E890 VanDerWaalsContact NH1-OE1 3.13Å; R888-E890 PolarHBondContact O-N 2.29Å
891	P	92.6	Very high	93.8	Very high	107 Å²	107	56.5 Å²	56.5	70%	0.695	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-67.4	141.9	170.9	29.2	-34.9	0	0	0	112.3
892	M	93.5	Very high	93.7	Very high	46 Å²	46	55.4 Å²	55.4	23%	0.227	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-70.1	145.8	173.3	-66	178.3	-74	0	0	111.7	N882 L886 E1023 L1026	N882-M892 HydrophobicContact CB-CG 4.38Å; N882-M892 WeakPolarHBondContact OD1-CA 3.47Å; L886-M892 HydrophobicContact CD1-CG 4.31Å; L886-M892 HydrophobicContact CD1-SD 3.82Å; L886-M892 HydrophobicContact CD2-CE 4.29Å; L886-M892 HydrophobicContact CD2-CG 3.9Å; L886-M892 HydrophobicContact CD2-SD 4.02Å; L886-M892 HydrophobicContact CG-CG 3.92Å; L886-M892 HydrophobicContact CG-SD 4.07Å; M892-E1023 HydrophobicContact CE-CB 3.86Å; M892-E1023 HydrophobicContact SD-CB 4.22Å; M892-L1026 HydrophobicContact SD-CD2 3.87Å; M892-L1026 HydrophobicContact SD-CG 4.35Å
893	I	93.2	Very high	93.4	Very high	93 Å²	93	59.9 Å²	59.9	48%	0.477	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-87.5	131.9	168.6	-61.2	176.6	0	0	0	108.1	N882 M895	N882-I893 PolarHBondContact ND2-O 2.84Å; N882-I893 PolarHBondContact OD1-N 3.43Å; I893-M895 PolarHBondContact O-N 3.14Å
894	P	90	Very high	93.1	Very high	94 Å²	94	60.7 Å²	60.7	61%	0.61	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-56.5	135.2	178.5	-25.9	34.9	0	0	0	112.7	E1023	P894-E1023 WeakPolarHBondContact CA-OE1 3.34Å
895	M	91.7	Very high	92.8	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.03	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-99.9	150.7	-176.5	-61.7	-176.8	-66	0	0	111.7	L856 F874 L879 N882 I893 Y914 A1022 E1023 L1026	L856-M895 HydrophobicContact CD1-CE 4.26Å; F874-M895 HydrophobicContact CD1-CB 3.76Å; F874-M895 HydrophobicContact CE1-CB 3.95Å; L879-M895 HydrophobicContact CD2-CE 3.79Å; L879-M895 HydrophobicContact CD2-SD 3.58Å; L879-M895 VanDerWaalsContact CD2-SD 3.58Å; L879-M895 HydrophobicContact CG-SD 4.12Å; N882-M895 WeakPolarHBondContact ND2-CG 3.36Å; N882-M895 PolarHBondContact ND2-SD 2.97Å; N882-M895 VanDerWaalsContact ND2-SD 3.4Å; I893-M895 PolarHBondContact O-N 3.14Å; M895-Y914 PolarHBondContact O-OH 3.19Å; M895-A1022 HydrophobicContact CE-CB 4.05Å; M895-E1023 PolarHBondContact N-OE1 3.35Å; M895-L1026 HydrophobicContact CE-CB 4.37Å; M895-L1026 HydrophobicContact CE-CD2 3.85Å; M895-L1026 HydrophobicContact SD-CD2 4.34Å
896	H	91.5	Very high	92.7	Very high	97 Å²	97	59.9 Å²	59.9	45%	0.449	30%	0.299	S	S	.	.			trans	-125.2	145.1	-179.9	-63.4	-19	0	0	0	110.9	F874 W898 Y914	F874-H896 VanDerWaalsContact CD1-O 3.29Å; F874-H896 WeakPolarHBondContact CD1-O 3.28Å; H896-W898 PolarHBondContact O-N 3.28Å; H896-Y914 HydrophobicContact CB-CE1 4.07Å; H896-Y914 AromaticContact CG-CE1 3.9Å; H896-Y914 AromaticContact ND1-CE1 3.65Å; H896-Y914 AromaticContact ND1-CZ 3.87Å; H896-Y914 PolarHBondContact ND1-OH 3.26Å; H896-Y914 VanDerWaalsContact ND1-OH 3.15Å
897	P	93.9	Very high	92.4	Very high	6 Å²	6	63.1 Å²	63.1	4%	0.039	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-55.4	133.5	179.7	-28.6	36.4	0	0	0	112.7	P872 N873 F874 Y899 I906 Y914 I1002	P872-P897 HydrophobicContact CB-CB 4.15Å; P872-P897 HydrophobicContact CB-CG 4.26Å; P872-P897 HydrophobicContact CG-CB 4.38Å; P872-P897 HydrophobicContact CG-CG 3.99Å; N873-P897 CarbonylContact O-C 3.55Å; N873-P897 VanDerWaalsContact O-CA 3.25Å; N873-P897 WeakPolarHBondContact O-CA 3.4Å; F874-P897 HydrophobicContact CE1-CG 4.35Å; F874-P897 HydrophobicContact CZ-CG 4.39Å; P897-Y899 HydrophobicContact CB-CE2 4.34Å; P897-I906 VanDerWaalsContact O-CD1 3.31Å; P897-I906 WeakPolarHBondContact O-CD1 3.37Å; P897-Y914 VanDerWaalsContact CD-CZ 3.45Å; P897-Y914 HydrophobicContact CG-CD1 4.49Å; P897-Y914 HydrophobicContact CG-CD2 3.9Å; P897-Y914 HydrophobicContact CG-CE2 3.95Å; P897-Y914 HydrophobicContact CG-CG 4.2Å; P897-I1002 HydrophobicContact CB-CD1 4.17Å; P897-I1002 HydrophobicContact CG-CG2 4.25Å
898	W	95.8	Very high	92	Very high	94 Å²	94	67.4 Å²	67.4	36%	0.356	33%	0.33	S	S	.	.			trans	-146.1	138.3	-174.9	179.8	94.6	0	0	0	110.9	N787 N873 N875 H896 K900	N787-W898 HydrophobicContact CB-CZ3 4.38Å; N787-W898 PolarHBondContact ND2-O 2.93Å; N873-W898 CarbonylContact C-O 3.51Å; N873-W898 WeakPolarHBondContact CB-O 3.32Å; N873-W898 PolarHBondContact O-N 3.46Å; N875-W898 HydrophobicContact CB-CB 4.05Å; N875-W898 HydrophobicContact CB-CD2 3.88Å; N875-W898 HydrophobicContact CB-CE3 3.94Å; N875-W898 HydrophobicContact CB-CG 3.93Å; H896-W898 PolarHBondContact O-N 3.28Å; W898-K900 HydrophobicContact CH2-CB 4.03Å; W898-K900 HydrophobicContact CH2-CG 4.48Å; W898-K900 HydrophobicContact CZ3-CB 4.1Å
899	Y	94.9	Very high	91.5	Very high	18 Å²	18	62.6 Å²	62.6	7%	0.071	31%	0.314	C	S	.	.			trans	-129	130.4	-174.5	-65.2	-94.2	0	0	0	110.2	N787 P872 N873 P897 N901 F902 I906 I935 I1002	N787-Y899 WeakPolarHBondContact OD1-CA 3.22Å; P872-Y899 WeakPolarHBondContact CB-OH 3.45Å; N873-Y899 HydrophobicContact CB-CD1 3.91Å; N873-Y899 HydrophobicContact CB-CE1 3.69Å; N873-Y899 WeakPolarHBondContact OD1-CE1 3.46Å; P897-Y899 HydrophobicContact CB-CE2 4.34Å; Y899-N901 PolarHBondContact O-N 3.48Å; Y899-F902 WeakPolarHBondContact O-CB 3.42Å; Y899-F902 PolarHBondContact O-N 3.26Å; Y899-I906 HydrophobicContact CD2-CD1 4.05Å; Y899-I906 HydrophobicContact CE2-CD1 4.27Å; Y899-I935 HydrophobicContact CD1-CD1 4.26Å; Y899-I935 HydrophobicContact CD1-CG2 4.24Å; Y899-I935 HydrophobicContact CD2-CD1 4.1Å; Y899-I935 HydrophobicContact CD2-CG1 3.79Å; Y899-I935 HydrophobicContact CD2-CG2 4.5Å; Y899-I935 HydrophobicContact CE1-CG2 3.87Å; Y899-I935 HydrophobicContact CE2-CG1 4.11Å; Y899-I935 HydrophobicContact CE2-CG2 4.19Å; Y899-I935 HydrophobicContact CG-CD1 3.83Å; Y899-I935 HydrophobicContact CG-CG1 4.04Å; Y899-I1002 HydrophobicContact CE2-CD1 3.94Å
900	K	93	Very high	90.6	Very high	28 Å²	28	57.2 Å²	57.2	12%	0.122	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	134	179.8	-176	172	173.5	-177.6	0	111.1	N787 W898 F902 E1196	N787-K900 VanDerWaalsContact O-CD 3.26Å; N787-K900 WeakPolarHBondContact O-CD 3.26Å; N787-K900 PolarHBondContact OD1-N 3.44Å; W898-K900 HydrophobicContact CH2-CB 4.03Å; W898-K900 HydrophobicContact CH2-CG 4.48Å; W898-K900 HydrophobicContact CZ3-CB 4.1Å; K900-F902 PolarHBondContact O-N 2.85Å; K900-F902 VanDerWaalsContact O-N 3.08Å; K900-E1196 IonicContact NZ-OE1 3.47Å; K900-E1196 IonicContact NZ-OE2 3.8Å; K900-E1196 PolarHBondContact NZ-OE2 2.84Å
901	N	90.6	Very high	89.4	Confident	92 Å²	92	58.1 Å²	58.1	49%	0.492	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	9.4	-179.9	-63.2	-5.1	0	0	0	116.7	V783 Y899	V783-N901 HydrophobicContact CG2-CB 3.82Å; Y899-N901 PolarHBondContact O-N 3.48Å
902	F	93.5	Very high	88.8	Confident	31 Å²	31	54.1 Å²	54.1	14%	0.136	27%	0.274	C	S	.	.			trans	-71.1	132.5	172.7	-177.3	-121.2	0	0	0	111.4	V783 Y899 K900 G904 I906 C916 E932 L933 I935	V783-F902 HydrophobicContact CG1-CB 3.69Å; V783-F902 HydrophobicContact CG1-CD2 3.94Å; V783-F902 HydrophobicContact CG1-CG 4.29Å; Y899-F902 WeakPolarHBondContact O-CB 3.42Å; Y899-F902 PolarHBondContact O-N 3.26Å; K900-F902 PolarHBondContact O-N 2.85Å; K900-F902 VanDerWaalsContact O-N 3.08Å; F902-G904 WeakPolarHBondContact CD1-O 3.19Å; F902-G904 VanDerWaalsContact CE1-CA 3.44Å; F902-G904 WeakPolarHBondContact CE1-O 3.5Å; F902-G904 VanDerWaalsContact CZ-CA 3.42Å; F902-I906 HydrophobicContact CD1-CD1 4.41Å; F902-I906 HydrophobicContact CE1-CD1 4.22Å; F902-I906 HydrophobicContact CE1-CG1 4.03Å; F902-C916 VanDerWaalsContact CZ-SG 3.56Å; F902-E932 HydrophobicContact CD2-CG 3.95Å; F902-E932 WeakPolarHBondContact CD2-OE2 3.26Å; F902-E932 HydrophobicContact CE2-CG 3.56Å; F902-E932 HydrophobicContact CZ-CG 4.33Å; F902-L933 WeakPolarHBondContact CE2-O 3.33Å; F902-I935 HydrophobicContact CB-CD1 4.3Å; F902-I935 HydrophobicContact CD1-CD1 4.43Å; F902-I935 HydrophobicContact CD2-CD1 3.56Å; F902-I935 HydrophobicContact CD2-CG1 4.18Å; F902-I935 HydrophobicContact CE1-CG1 4.41Å; F902-I935 HydrophobicContact CE2-CD1 3.9Å; F902-I935 HydrophobicContact CE2-CG1 4.09Å; F902-I935 HydrophobicContact CG-CD1 3.85Å; F902-I935 HydrophobicContact CG-CG1 4.39Å; F902-I935 HydrophobicContact CZ-CD1 4.46Å; F902-I935 HydrophobicContact CZ-CG1 4.2Å
903	R	89.9	Confident	88.4	Confident	99 Å²	99	54.6 Å²	54.6	37%	0.374	27%	0.273	S	S	.	.			trans	-98.9	-10.4	-179.3	-65.4	-171.1	-67.2	-97	7.7	114.8	S931 E932	R903-S931 PolarHBondContact NH2-O 2.85Å; R903-E932 HydrophobicContact CB-CB 4.38Å; R903-E932 HydrophobicContact CB-CG 4.21Å; R903-E932 PolarHBondContact N-OE2 2.99Å
904	G	89.7	Confident	88.3	Confident	16 Å²	16	51.2 Å²	51.2	17%	0.165	25%	0.254	C	S	.	.	S	Bend	trans	-85.7	174.7	-172.8	0	0	0	0	0	113.4	F902 F917	F902-G904 WeakPolarHBondContact CD1-O 3.19Å; F902-G904 VanDerWaalsContact CE1-CA 3.44Å; F902-G904 WeakPolarHBondContact CE1-O 3.5Å; F902-G904 VanDerWaalsContact CZ-CA 3.42Å; G904-F917 WeakPolarHBondContact CA-O 3.43Å
905	L	91.2	Very high	88.3	Confident	48 Å²	48	46.8 Å²	46.8	25%	0.251	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.6	-173.6	-168.3	63.7	0	0	0	112.4	R907 F917 P1244	L905-R907 HydrophobicContact CD2-CG 4.06Å; L905-R907 VanDerWaalsContact CD2-CZ 3.47Å; L905-R907 HydrophobicContact CG-CG 4.11Å; L905-F917 PolarHBondContact N-O 2.96Å; L905-F917 WeakPolarHBondContact O-CD2 3.49Å; L905-F917 PolarHBondContact O-N 2.99Å; L905-P1244 HydrophobicContact CB-CG 4.44Å; L905-P1244 HydrophobicContact CD2-CG 3.82Å
906	I	92.3	Very high	88.3	Confident	39 Å²	39	46.5 Å²	46.5	20%	0.2	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	119.7	169.9	-62.3	174.3	0	0	0	108.3	P897 Y899 F902 Y914 A915 C916 I1002	P897-I906 VanDerWaalsContact O-CD1 3.31Å; P897-I906 WeakPolarHBondContact O-CD1 3.37Å; Y899-I906 HydrophobicContact CD2-CD1 4.05Å; Y899-I906 HydrophobicContact CE2-CD1 4.27Å; F902-I906 HydrophobicContact CD1-CD1 4.41Å; F902-I906 HydrophobicContact CE1-CD1 4.22Å; F902-I906 HydrophobicContact CE1-CG1 4.03Å; I906-Y914 HydrophobicContact CG2-CD1 4.01Å; I906-Y914 HydrophobicContact CG2-CG 4.33Å; I906-A915 CarbonylContact C-O 3.58Å; I906-A915 WeakPolarHBondContact CA-O 3.38Å; I906-C916 HydrophobicContact CG1-CB 4.23Å; I906-I1002 HydrophobicContact CD1-CD1 4.09Å
907	R	89	Confident	88.4	Confident	82 Å²	82	42.1 Å²	42.1	31%	0.309	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.7	177.2	-78	-179.8	172.2	155.1	1.4	110.3	L905 Y914 A915 E1243 P1244 I1246	L905-R907 HydrophobicContact CD2-CG 4.06Å; L905-R907 VanDerWaalsContact CD2-CZ 3.47Å; L905-R907 HydrophobicContact CG-CG 4.11Å; R907-Y914 CarbonylContact O-C 3.54Å; R907-Y914 WeakPolarHBondContact O-CA 3.29Å; R907-A915 PolarHBondContact N-O 2.81Å; R907-A915 PolarHBondContact O-N 3.29Å; R907-E1243 IonicContact CZ-OE2 3.77Å; R907-E1243 IonicContact NH1-OE2 2.81Å; R907-E1243 IonicContact NH2-OE2 3.57Å; R907-E1243 PolarHBondContact NH2-OE2 3.19Å; R907-P1244 PolarHBondContact NH1-O 2.88Å; R907-I1246 HydrophobicContact CB-CD1 3.93Å; R907-I1246 HydrophobicContact CG-CD1 4.43Å
908	H	86.8	Confident	88.3	Confident	99 Å²	99	41.9 Å²	41.9	46%	0.458	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	137.2	172.3	179.8	-121.3	0	0	0	110.8	G910 Y914	H908-G910 PolarHBondContact NE2-O 2.97Å; H908-G910 VanDerWaalsContact NE2-O 3.09Å; H908-Y914 HydrophobicContact CB-CD1 3.9Å; H908-Y914 HydrophobicContact CB-CE1 3.75Å; H908-Y914 AromaticContact CD2-CE1 3.79Å; H908-Y914 AromaticContact CD2-CZ 3.83Å
909	L	82.3	Confident	88.2	Confident	28 Å²	28	38 Å²	38	15%	0.147	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-16.1	-179.9	-72.9	-176.2	0	0	0	114.3	R913 A915 F1001 I1246 V1254	L909-R913 PolarHBondContact N-O 2.95Å; L909-A915 HydrophobicContact CD1-CB 3.81Å; L909-A915 HydrophobicContact CG-CB 4.12Å; L909-F1001 HydrophobicContact CD1-CD1 4.02Å; L909-F1001 HydrophobicContact CD1-CE1 3.76Å; L909-I1246 HydrophobicContact CD2-CD1 3.74Å; L909-I1246 HydrophobicContact CD2-CG1 4.09Å; L909-I1246 HydrophobicContact CD2-CG2 3.61Å; L909-V1254 HydrophobicContact CB-CG2 4.43Å; L909-V1254 HydrophobicContact CD1-CG2 4.37Å
910	G	73.3	Confident	88.1	Confident	15 Å²	15	37.2 Å²	37.2	16%	0.155	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.3	170.8	-171.9	0	0	0	0	0	111	H908 Q912 R913	H908-G910 PolarHBondContact NE2-O 2.97Å; H908-G910 VanDerWaalsContact NE2-O 3.09Å; G910-Q912 PolarHBondContact O-N 3.31Å; G910-R913 PolarHBondContact N-O 3.14Å; G910-R913 PolarHBondContact O-N 3.45Å
911	S	69.2	Low	88.1	Confident	82 Å²	82	36.3 Å²	36.3	57%	0.573	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-43.5	-31.1	-159	64.4	0	0	0	0	117.8	D1258	S911-D1258 PolarHBondContact N-OD2 3.36Å; S911-D1258 PolarHBondContact OG-OD2 3.25Å
912	Q	78.9	Confident	88.1	Confident	24 Å²	24	33.7 Å²	33.7	11%	0.112	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.8	23.6	179.2	-61.3	-173.6	-42	0	0	113.6	G910 N1003 T1004 G1020	G910-Q912 PolarHBondContact O-N 3.31Å; Q912-N1003 WeakPolarHBondContact O-CA 3.46Å; Q912-N1003 PolarHBondContact O-OD1 3.05Å; Q912-T1004 WeakPolarHBondContact CA-OG1 3.34Å; Q912-T1004 PolarHBondContact O-N 3.03Å; Q912-T1004 PolarHBondContact O-OG1 2.99Å; Q912-G1020 PolarHBondContact NE2-O 2.8Å
913	R	86	Confident	87.8	Confident	56 Å²	56	34.3 Å²	34.3	21%	0.211	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	134.4	-173.2	-73.5	-176	168.2	-174.7	-5.6	113.6	L909 G910	L909-R913 PolarHBondContact N-O 2.95Å; G910-R913 PolarHBondContact N-O 3.14Å; G910-R913 PolarHBondContact O-N 3.45Å
914	Y	90.7	Very high	87.5	Confident	21 Å²	21	32.4 Å²	32.4	8%	0.082	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.8	172.4	-62	-100.6	0	0	0	109.7	M895 H896 P897 I906 R907 H908 F1001 I1002 T1004	M895-Y914 PolarHBondContact O-OH 3.19Å; H896-Y914 HydrophobicContact CB-CE1 4.07Å; H896-Y914 AromaticContact CG-CE1 3.9Å; H896-Y914 AromaticContact ND1-CE1 3.65Å; H896-Y914 AromaticContact ND1-CZ 3.87Å; H896-Y914 PolarHBondContact ND1-OH 3.26Å; H896-Y914 VanDerWaalsContact ND1-OH 3.15Å; P897-Y914 VanDerWaalsContact CD-CZ 3.45Å; P897-Y914 HydrophobicContact CG-CD1 4.49Å; P897-Y914 HydrophobicContact CG-CD2 3.9Å; P897-Y914 HydrophobicContact CG-CE2 3.95Å; P897-Y914 HydrophobicContact CG-CG 4.2Å; I906-Y914 HydrophobicContact CG2-CD1 4.01Å; I906-Y914 HydrophobicContact CG2-CG 4.33Å; R907-Y914 CarbonylContact O-C 3.54Å; R907-Y914 WeakPolarHBondContact O-CA 3.29Å; H908-Y914 HydrophobicContact CB-CD1 3.9Å; H908-Y914 HydrophobicContact CB-CE1 3.75Å; H908-Y914 AromaticContact CD2-CE1 3.79Å; H908-Y914 AromaticContact CD2-CZ 3.83Å; Y914-F1001 WeakPolarHBondContact O-CA 3.33Å; Y914-I1002 PolarHBondContact N-O 2.9Å; Y914-I1002 PolarHBondContact O-N 3.16Å; Y914-T1004 HydrophobicContact CE2-CG2 4.24Å
915	A	89.6	Confident	86.9	Confident	2 Å²	2	37.9 Å²	37.9	2%	0.017	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	132.2	163.5	0	0	0	0	0	109.6	I906 R907 L909 F917 F1001	I906-A915 CarbonylContact C-O 3.58Å; I906-A915 WeakPolarHBondContact CA-O 3.38Å; R907-A915 PolarHBondContact N-O 2.81Å; R907-A915 PolarHBondContact O-N 3.29Å; L909-A915 HydrophobicContact CD1-CB 3.81Å; L909-A915 HydrophobicContact CG-CB 4.12Å; A915-F917 HydrophobicContact CB-CD2 4.28Å; A915-F917 HydrophobicContact CB-CE1 4.43Å; A915-F917 HydrophobicContact CB-CE2 3.49Å; A915-F917 VanDerWaalsContact CB-CE2 3.49Å; A915-F917 HydrophobicContact CB-CZ 3.59Å; A915-F1001 HydrophobicContact CB-CD1 4.33Å; A915-F1001 HydrophobicContact CB-CE1 4.23Å
916	C	92.3	Very high	86.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.5	172	176.6	0	0	0	0	108.2	F902 I906 I935 Q999 N1000 I1002	F902-C916 VanDerWaalsContact CZ-SG 3.56Å; I906-C916 HydrophobicContact CG1-CB 4.23Å; C916-I935 PolarHBondContact SG-N 3.07Å; C916-I935 VanDerWaalsContact SG-N 3.39Å; C916-Q999 WeakPolarHBondContact O-CA 3.38Å; C916-N1000 PolarHBondContact N-O 3.02Å; C916-N1000 PolarHBondContact O-N 3.08Å; C916-I1002 HydrophobicContact CB-CD1 4.11Å; C916-I1002 HydrophobicContact CB-CG1 4.27Å
917	F	93.1	Very high	86.3	Confident	5 Å²	5	39.3 Å²	39.3	2%	0.022	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139	-178.6	-61.4	-78.2	0	0	0	110.8	G904 L905 A915 L998 Q999 P1244 I1246	G904-F917 WeakPolarHBondContact CA-O 3.43Å; L905-F917 PolarHBondContact N-O 2.96Å; L905-F917 WeakPolarHBondContact O-CD2 3.49Å; L905-F917 PolarHBondContact O-N 2.99Å; A915-F917 HydrophobicContact CB-CD2 4.28Å; A915-F917 HydrophobicContact CB-CE1 4.43Å; A915-F917 HydrophobicContact CB-CE2 3.49Å; A915-F917 VanDerWaalsContact CB-CE2 3.49Å; A915-F917 HydrophobicContact CB-CZ 3.59Å; F917-L998 WeakPolarHBondContact CA-O 3.43Å; F917-Q999 HydrophobicContact CD1-CB 3.73Å; F917-Q999 HydrophobicContact CE1-CB 3.74Å; F917-P1244 HydrophobicContact CB-CB 3.89Å; F917-P1244 HydrophobicContact CB-CG 4Å; F917-P1244 HydrophobicContact CD1-CB 3.39Å; F917-P1244 HydrophobicContact CD1-CG 4.32Å; F917-P1244 HydrophobicContact CD2-CB 3.66Å; F917-P1244 HydrophobicContact CD2-CG 3.76Å; F917-P1244 HydrophobicContact CE1-CB 3.72Å; F917-P1244 HydrophobicContact CE2-CB 3.96Å; F917-P1244 HydrophobicContact CE2-CG 4.29Å; F917-P1244 HydrophobicContact CG-CB 3.35Å; F917-P1244 HydrophobicContact CG-CG 3.77Å; F917-P1244 HydrophobicContact CZ-CB 3.98Å; F917-I1246 HydrophobicContact CE2-CG1 4.31Å; F917-I1246 HydrophobicContact CZ-CG1 4.05Å
918	G	92.5	Very high	86.5	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.01	19%	0.187	C	C	.	.			trans	-76.7	171.6	163.1	0	0	0	0	0	110.8	E932 H993 L998	G918-E932 CarbonylContact C-O 3.57Å; G918-E932 WeakPolarHBondContact CA-O 3.2Å; G918-H993 PolarHBondContact O-CD2 3.21Å; G918-L998 PolarHBondContact N-O 3.08Å
919	E	92.8	Very high	86.8	Confident	12 Å²	12	30.8 Å²	30.8	6%	0.056	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.7	179.8	-67	-62.4	145.2	0	0	110.9	I930 S931 E932 R1241	E919-I930 WeakPolarHBondContact O-CA 3.47Å; E919-S931 PolarHBondContact O-N 2.95Å; E919-E932 HydrophobicContact CB-CB 3.71Å; E919-E932 HydrophobicContact CG-CB 3.83Å; E919-E932 HydrophobicContact CG-CG 4.47Å; E919-E932 PolarHBondContact N-O 3.49Å; E919-R1241 IonicContact OE1-CZ 3.42Å; E919-R1241 IonicContact OE1-NE 2.78Å; E919-R1241 IonicContact OE1-NH2 3.36Å; E919-R1241 PolarHBondContact OE1-NH2 3.34Å; E919-R1241 IonicContact OE2-CZ 2.59Å; E919-R1241 IonicContact OE2-NE 3.44Å; E919-R1241 PolarHBondContact OE2-NE 2.89Å; E919-R1241 IonicContact OE2-NH2 2.7Å; E919-R1241 PolarHBondContact OE2-NH2 2.93Å; E919-R1241 VanDerWaalsContact OE2-NH2 3.15Å
920	V	93.3	Very high	87.4	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.5	175.6	61.9	0	0	0	0	111.1	L928 E929 I930 V992 L998 I1242	V920-L928 HydrophobicContact CG2-CB 4.39Å; V920-L928 HydrophobicContact CG2-CD2 4.28Å; V920-E929 CarbonylContact C-O 3.52Å; V920-E929 VanDerWaalsContact CA-O 3.24Å; V920-E929 WeakPolarHBondContact CA-O 3.24Å; V920-E929 WeakPolarHBondContact CG2-O 3.32Å; V920-I930 HydrophobicContact CG2-CG1 4.19Å; V920-V992 HydrophobicContact CG1-CG1 4Å; V920-V992 HydrophobicContact CG2-CG1 4.04Å; V920-L998 HydrophobicContact CB-CD1 3.78Å; V920-L998 HydrophobicContact CG1-CD1 4.06Å; V920-L998 HydrophobicContact CG2-CD1 4.43Å; V920-I1242 HydrophobicContact CG1-CB 4.25Å; V920-I1242 PolarHBondContact O-N 3.02Å
921	A	92.4	Very high	88.3	Confident	10 Å²	10	29.4 Å²	29.4	8%	0.083	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	152.5	177.6	0	0	0	0	0	111.3	L928 E929 T1240	A921-L928 CarbonylContact O-C 3.47Å; A921-L928 WeakPolarHBondContact O-CA 3.12Å; A921-E929 PolarHBondContact N-O 3.22Å; A921-E929 PolarHBondContact O-N 3.28Å; A921-T1240 CarbonylContact C-O 3.51Å; A921-T1240 WeakPolarHBondContact CA-O 3.38Å
922	L	90.4	Very high	89.5	Confident	36 Å²	36	25.5 Å²	25.5	19%	0.188	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.3	169.6	-174.9	68.1	0	0	0	109.3	D924 L928 L984 T1240	L922-D924 VanDerWaalsContact CD1-O 3.22Å; L922-D924 WeakPolarHBondContact CD1-O 3.33Å; L922-L928 HydrophobicContact CD1-CD2 3.92Å; L922-L984 HydrophobicContact CD1-CD1 4.29Å; L922-L984 HydrophobicContact CD1-CD2 3.9Å; L922-T1240 PolarHBondContact N-O 3.28Å; L922-T1240 PolarHBondContact O-N 2.89Å
923	L	88.1	Confident	90.3	Very high	44 Å²	44	24.3 Å²	24.3	23%	0.23	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-41.5	174.6	-60.9	-178.3	0	0	0	111.7	R927 E929 V976	L923-R927 HydrophobicContact CB-CB 4.12Å; L923-R927 HydrophobicContact CD1-CB 4.5Å; L923-R927 PolarHBondContact N-O 3Å; L923-E929 HydrophobicContact CD1-CB 4.09Å; L923-E929 HydrophobicContact CD2-CB 4.19Å; L923-E929 HydrophobicContact CG-CB 4.03Å; L923-V976 HydrophobicContact CD1-CG1 3.86Å; L923-V976 HydrophobicContact CD1-CG2 4.25Å
924	D	84.2	Confident	90.6	Very high	59 Å²	59	21.7 Å²	21.7	32%	0.316	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	-179.4	172.7	61.4	36.1	0	0	0	111	L922 G926 R927	L922-D924 VanDerWaalsContact CD1-O 3.22Å; L922-D924 WeakPolarHBondContact CD1-O 3.33Å; D924-G926 PolarHBondContact O-N 3.01Å; D924-G926 WeakPolarHBondContact OD1-CA 3.25Å; D924-G926 PolarHBondContact OD1-N 2.87Å; D924-R927 PolarHBondContact N-O 2.84Å; D924-R927 PolarHBondContact O-N 3.28Å; D924-R927 VanDerWaalsContact O-N 3.08Å; D924-R927 WeakPolarHBondContact OD1-CB 3.49Å; D924-R927 WeakPolarHBondContact OD1-CG 3.29Å; D924-R927 PolarHBondContact OD1-N 3.31Å; D924-R927 IonicContact OD1-NE 3.03Å; D924-R927 IonicContact OD2-CZ 3.75Å; D924-R927 IonicContact OD2-NE 2.76Å; D924-R927 PolarHBondContact OD2-NE 3.28Å; D924-R927 IonicContact OD2-NH2 3.6Å; D924-R927 PolarHBondContact OD2-NH2 3.28Å
925	D	75.9	Confident	90.8	Very high	132 Å²	132	21.5 Å²	21.5	71%	0.706	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-1.1	179.9	-63.2	-30.4	0	0	0	115.5	A981 L984	D925-A981 WeakPolarHBondContact O-CA 3.34Å; D925-A981 WeakPolarHBondContact O-CB 3.16Å; D925-L984 VanDerWaalsContact C-CD2 3.44Å; D925-L984 VanDerWaalsContact O-CD2 3.26Å; D925-L984 WeakPolarHBondContact O-CD2 3.48Å
926	G	82.8	Confident	90.7	Very high	16 Å²	16	23.4 Å²	23.4	17%	0.165	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-2.7	173.4	0	0	0	0	0	115.2	D924 Q978 M979	D924-G926 PolarHBondContact O-N 3.01Å; D924-G926 WeakPolarHBondContact OD1-CA 3.25Å; D924-G926 PolarHBondContact OD1-N 2.87Å; G926-Q978 CarbonylContact O-C 3.56Å; G926-Q978 WeakPolarHBondContact O-CA 3.21Å; G926-M979 PolarHBondContact O-N 3.22Å
927	R	89.5	Confident	90.7	Very high	101 Å²	101	24.9 Å²	24.9	38%	0.381	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.1	-170.9	-65.6	-174.2	-68.6	153	-1	114.4	L923 D924 I977 Q978	L923-R927 HydrophobicContact CB-CB 4.12Å; L923-R927 HydrophobicContact CD1-CB 4.5Å; L923-R927 PolarHBondContact N-O 3Å; D924-R927 PolarHBondContact N-O 2.84Å; D924-R927 PolarHBondContact O-N 3.28Å; D924-R927 VanDerWaalsContact O-N 3.08Å; D924-R927 WeakPolarHBondContact OD1-CB 3.49Å; D924-R927 WeakPolarHBondContact OD1-CG 3.29Å; D924-R927 PolarHBondContact OD1-N 3.31Å; D924-R927 IonicContact OD1-NE 3.03Å; D924-R927 IonicContact OD2-CZ 3.75Å; D924-R927 IonicContact OD2-NE 2.76Å; D924-R927 PolarHBondContact OD2-NE 3.28Å; D924-R927 IonicContact OD2-NH2 3.6Å; D924-R927 PolarHBondContact OD2-NH2 3.28Å; R927-I977 WeakPolarHBondContact CA-O 3.28Å; R927-Q978 HydrophobicContact CG-CG 4.45Å
928	L	92.3	Very high	90.7	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	146.3	169.9	-70	170.3	0	0	0	110.3	V920 A921 L922 V976 I977 M979 L984 V992 F996 I1242	V920-L928 HydrophobicContact CG2-CB 4.39Å; V920-L928 HydrophobicContact CG2-CD2 4.28Å; A921-L928 CarbonylContact O-C 3.47Å; A921-L928 WeakPolarHBondContact O-CA 3.12Å; L922-L928 HydrophobicContact CD1-CD2 3.92Å; L928-V976 CarbonylContact O-C 3.54Å; L928-V976 WeakPolarHBondContact O-CA 3.42Å; L928-I977 PolarHBondContact N-O 3.14Å; L928-I977 PolarHBondContact O-N 3.16Å; L928-M979 HydrophobicContact CD1-SD 4.04Å; L928-L984 HydrophobicContact CD1-CD1 3.74Å; L928-L984 HydrophobicContact CD2-CD1 3.91Å; L928-L984 HydrophobicContact CG-CD1 3.69Å; L928-V992 HydrophobicContact CD1-CG1 3.96Å; L928-F996 HydrophobicContact CD1-CD2 4.39Å; L928-F996 HydrophobicContact CD1-CE2 3.63Å; L928-F996 HydrophobicContact CD1-CZ 4.16Å; L928-I1242 HydrophobicContact CD2-CD1 3.83Å
929	E	93.4	Very high	90.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.2	170.8	179.8	172.7	-75.5	0	0	110.2	V920 A921 L923 R974 F975 V976 P1235 S1236	V920-E929 CarbonylContact C-O 3.52Å; V920-E929 VanDerWaalsContact CA-O 3.24Å; V920-E929 WeakPolarHBondContact CA-O 3.24Å; V920-E929 WeakPolarHBondContact CG2-O 3.32Å; A921-E929 PolarHBondContact N-O 3.22Å; A921-E929 PolarHBondContact O-N 3.28Å; L923-E929 HydrophobicContact CD1-CB 4.09Å; L923-E929 HydrophobicContact CD2-CB 4.19Å; L923-E929 HydrophobicContact CG-CB 4.03Å; E929-R974 HydrophobicContact CG-CG 4.2Å; E929-R974 IonicContact OE1-CZ 3.82Å; E929-R974 IonicContact OE1-NE 2.71Å; E929-R974 PolarHBondContact OE1-NE 3.24Å; E929-R974 IonicContact OE1-NH2 3.74Å; E929-R974 PolarHBondContact OE1-NH2 2.96Å; E929-R974 IonicContact OE2-NE 3.7Å; E929-R974 IonicContact OE2-NH2 2.82Å; E929-F975 CarbonylContact C-O 3.58Å; E929-F975 WeakPolarHBondContact CA-O 3.48Å; E929-V976 HydrophobicContact CB-CG2 4.48Å; E929-V976 HydrophobicContact CG-CG2 4.3Å; E929-P1235 WeakPolarHBondContact OE2-CA 3.3Å; E929-S1236 PolarHBondContact OE2-N 3.14Å
930	I	94.3	Very high	90.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	116.3	169	-54.9	-179.8	0	0	0	107.4	E919 V920 L933 Y942 R974 F975 I977 F996 L998	E919-I930 WeakPolarHBondContact O-CA 3.47Å; V920-I930 HydrophobicContact CG2-CG1 4.19Å; I930-L933 HydrophobicContact CG2-CD2 3.98Å; I930-Y942 HydrophobicContact CD1-CE1 4.19Å; I930-Y942 WeakPolarHBondContact CD1-OH 3.45Å; I930-R974 CarbonylContact O-C 3.53Å; I930-R974 VanDerWaalsContact O-CA 3.31Å; I930-R974 WeakPolarHBondContact O-CA 3.41Å; I930-F975 HydrophobicContact CB-CB 4.36Å; I930-F975 PolarHBondContact N-O 2.98Å; I930-F975 PolarHBondContact O-N 3.21Å; I930-I977 HydrophobicContact CD1-CD1 3.5Å; I930-I977 HydrophobicContact CG1-CD1 4.07Å; I930-F996 HydrophobicContact CD1-CB 4.38Å; I930-F996 HydrophobicContact CD1-CD1 4.25Å; I930-F996 HydrophobicContact CD1-CG 4.43Å; I930-L998 HydrophobicContact CD1-CD1 3.98Å; I930-L998 HydrophobicContact CD1-CD2 4.28Å; I930-L998 HydrophobicContact CD1-CG 4.48Å; I930-L998 HydrophobicContact CG1-CD1 4.01Å; I930-L998 HydrophobicContact CG2-CD1 3.95Å; I930-L998 HydrophobicContact CG2-CD2 3.76Å
931	S	93.4	Very high	90.7	Very high	13 Å²	13	32.4 Å²	32.4	9%	0.091	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	-0.9	-173.2	63	0	0	0	0	114	R903 E919 V973	R903-S931 PolarHBondContact NH2-O 2.85Å; E919-S931 PolarHBondContact O-N 2.95Å; S931-V973 CarbonylContact C-O 3.43Å; S931-V973 WeakPolarHBondContact CA-O 3.03Å; S931-V973 VanDerWaalsContact O-O 3.1Å
932	E	94.2	Very high	90.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	142.7	171.2	-178.4	58.9	-71.4	0	0	110.4	R800 F902 R903 G918 E919	R800-E932 IonicContact CZ-OE1 3.92Å; R800-E932 IonicContact NH1-OE1 2.65Å; R800-E932 PolarHBondContact NH1-OE1 2.93Å; R800-E932 IonicContact NH1-OE2 2.73Å; R800-E932 PolarHBondContact NH1-OE2 2.63Å; R800-E932 IonicContact NH2-OE1 2.89Å; R800-E932 PolarHBondContact NH2-OE1 2.96Å; F902-E932 HydrophobicContact CD2-CG 3.95Å; F902-E932 WeakPolarHBondContact CD2-OE2 3.26Å; F902-E932 HydrophobicContact CE2-CG 3.56Å; F902-E932 HydrophobicContact CZ-CG 4.33Å; R903-E932 HydrophobicContact CB-CB 4.38Å; R903-E932 HydrophobicContact CB-CG 4.21Å; R903-E932 PolarHBondContact N-OE2 2.99Å; G918-E932 CarbonylContact C-O 3.57Å; G918-E932 WeakPolarHBondContact CA-O 3.2Å; E919-E932 HydrophobicContact CB-CB 3.71Å; E919-E932 HydrophobicContact CG-CB 3.83Å; E919-E932 HydrophobicContact CG-CG 4.47Å; E919-E932 PolarHBondContact N-O 3.49Å
933	L	94.4	Very high	90.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.			trans	-107.5	147.3	174.5	-64	176.3	0	0	0	110.4	R800 F902 I930 V937 Y942 V973 L998	R800-L933 PolarHBondContact NH2-O 3.15Å; F902-L933 WeakPolarHBondContact CE2-O 3.33Å; I930-L933 HydrophobicContact CG2-CD2 3.98Å; L933-V937 HydrophobicContact CB-CB 4.41Å; L933-V937 HydrophobicContact CB-CG1 4.49Å; L933-V937 HydrophobicContact CD1-CG1 4.41Å; L933-Y942 HydrophobicContact CD1-CD1 4.22Å; L933-Y942 HydrophobicContact CD1-CG 3.95Å; L933-Y942 HydrophobicContact CD2-CD1 3.79Å; L933-Y942 HydrophobicContact CD2-CD2 3.87Å; L933-Y942 HydrophobicContact CD2-CE1 3.84Å; L933-Y942 HydrophobicContact CD2-CE2 3.91Å; L933-Y942 HydrophobicContact CD2-CG 3.82Å; L933-V973 HydrophobicContact CD1-CG1 4.25Å; L933-V973 HydrophobicContact CD1-CG2 4.21Å; L933-V973 HydrophobicContact CG-CG1 4.07Å; L933-V973 HydrophobicContact CG-CG2 4.21Å; L933-L998 HydrophobicContact CD2-CD2 3.65Å
934	P	93.5	Very high	91.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.			trans	-53.5	152	174.7	-23.3	32.3	0	0	0	113	G936 V937 L998 N1000	P934-G936 PolarHBondContact O-N 3.34Å; P934-V937 HydrophobicContact CB-CG2 4.16Å; P934-V937 WeakPolarHBondContact O-CB 3.43Å; P934-V937 PolarHBondContact O-N 3.06Å; P934-V937 VanDerWaalsContact O-N 3.13Å; P934-L998 VanDerWaalsContact CG-C 3.49Å; P934-N1000 HydrophobicContact CB-CB 3.64Å; P934-N1000 HydrophobicContact CG-CB 4.38Å
935	I	93.4	Very high	91.4	Very high	18 Å²	18	35.5 Å²	35.5	9%	0.092	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	138.3	173.9	-59.4	-63.1	0	0	0	110.1	V783 Y899 F902 C916 N1000	V783-I935 HydrophobicContact CG1-CD1 4.05Å; Y899-I935 HydrophobicContact CD1-CD1 4.26Å; Y899-I935 HydrophobicContact CD1-CG2 4.24Å; Y899-I935 HydrophobicContact CD2-CD1 4.1Å; Y899-I935 HydrophobicContact CD2-CG1 3.79Å; Y899-I935 HydrophobicContact CD2-CG2 4.5Å; Y899-I935 HydrophobicContact CE1-CG2 3.87Å; Y899-I935 HydrophobicContact CE2-CG1 4.11Å; Y899-I935 HydrophobicContact CE2-CG2 4.19Å; Y899-I935 HydrophobicContact CG-CD1 3.83Å; Y899-I935 HydrophobicContact CG-CG1 4.04Å; F902-I935 HydrophobicContact CB-CD1 4.3Å; F902-I935 HydrophobicContact CD1-CD1 4.43Å; F902-I935 HydrophobicContact CD2-CD1 3.56Å; F902-I935 HydrophobicContact CD2-CG1 4.18Å; F902-I935 HydrophobicContact CE1-CG1 4.41Å; F902-I935 HydrophobicContact CE2-CD1 3.9Å; F902-I935 HydrophobicContact CE2-CG1 4.09Å; F902-I935 HydrophobicContact CG-CD1 3.85Å; F902-I935 HydrophobicContact CG-CG1 4.39Å; F902-I935 HydrophobicContact CZ-CD1 4.46Å; F902-I935 HydrophobicContact CZ-CG1 4.2Å; C916-I935 PolarHBondContact SG-N 3.07Å; C916-I935 VanDerWaalsContact SG-N 3.39Å; I935-N1000 PolarHBondContact O-ND2 2.89Å
936	G	88.9	Confident	92.2	Very high	42 Å²	42	29.6 Å²	29.6	43%	0.433	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	12.5	-173.4	0	0	0	0	0	114.9	P934	P934-G936 PolarHBondContact O-N 3.34Å
937	V	92.5	Very high	92.7	Very high	30 Å²	30	28.8 Å²	28.8	18%	0.182	15%	0.146	C	C	.	.			trans	-121.8	109.3	176.8	-175.3	0	0	0	0	109.9	L933 P934 Y942	L933-V937 HydrophobicContact CB-CB 4.41Å; L933-V937 HydrophobicContact CB-CG1 4.49Å; L933-V937 HydrophobicContact CD1-CG1 4.41Å; P934-V937 HydrophobicContact CB-CG2 4.16Å; P934-V937 WeakPolarHBondContact O-CB 3.43Å; P934-V937 PolarHBondContact O-N 3.06Å; P934-V937 VanDerWaalsContact O-N 3.13Å; V937-Y942 HydrophobicContact CG1-CD2 3.73Å; V937-Y942 HydrophobicContact CG1-CG 4.28Å
938	W	93.5	Very high	92.8	Very high	57 Å²	57	26.9 Å²	26.9	22%	0.216	14%	0.141	C	C	.	.			trans	-87.7	149.5	-175.1	-45.7	119.8	0	0	0	112.6	F782 R800 Q940 Q941 Y942	F782-W938 HydrophobicContact CD2-CZ3 4.3Å; F782-W938 HydrophobicContact CE2-CH2 4.05Å; F782-W938 AromaticContact CE2-CZ3 3.86Å; F782-W938 HydrophobicContact CE2-CZ3 3.86Å; R800-W938 HydrophobicContact CG-CE3 4.44Å; W938-Q940 PolarHBondContact O-N 3.43Å; W938-Q941 HydrophobicContact CB-CB 4.35Å; W938-Q941 PolarHBondContact O-N 2.84Å; W938-Y942 VanDerWaalsContact O-CB 3.26Å; W938-Y942 WeakPolarHBondContact O-CB 3.3Å; W938-Y942 PolarHBondContact O-N 3.18Å
939	T	93	Very high	92.7	Very high	1 Å²	1	29 Å²	29	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-43.9	-166.5	-46.5	0	0	0	0	113.3	R800 L801 K943 H968 V973 F975	R800-T939 PolarHBondContact O-N 3.35Å; R800-T939 PolarHBondContact O-OG1 2.9Å; L801-T939 HydrophobicContact CD2-CG2 4.12Å; L801-T939 PolarHBondContact O-N 3.28Å; T939-K943 PolarHBondContact O-N 2.86Å; T939-H968 HydrophobicContact CG2-CB 4.2Å; T939-V973 HydrophobicContact CG2-CG1 4.34Å; T939-V973 HydrophobicContact CG2-CG2 4.41Å; T939-F975 HydrophobicContact CG2-CE2 3.86Å; T939-F975 HydrophobicContact CG2-CZ 3.62Å
940	Q	91.8	Very high	92.6	Very high	55 Å²	55	30.1 Å²	30.1	26%	0.257	16%	0.16	S	C	.	.	H	α-helix	trans	-70.5	-46.6	178.6	-175.6	65.5	20.4	0	0	111.1	L801 Q802 W938 Y942 K943 E944	L801-Q940 WeakPolarHBondContact O-CB 3.36Å; L801-Q940 PolarHBondContact O-N 2.9Å; Q802-Q940 HydrophobicContact CG-CB 4.33Å; W938-Q940 PolarHBondContact O-N 3.43Å; Q940-Y942 PolarHBondContact O-N 2.89Å; Q940-K943 WeakPolarHBondContact O-CB 3.19Å; Q940-K943 PolarHBondContact O-N 2.88Å; Q940-K943 VanDerWaalsContact O-N 3.12Å; Q940-E944 WeakPolarHBondContact CG-OE1 3.32Å; Q940-E944 PolarHBondContact NE2-OE1 3.23Å; Q940-E944 PolarHBondContact O-N 2.89Å; Q940-E944 VanDerWaalsContact O-N 3.09Å
941	Q	91.9	Very high	92.4	Very high	64 Å²	64	31.8 Å²	31.8	30%	0.299	17%	0.169	S	C	.	.	H	α-helix	trans	-60.8	-35	178.4	-163.7	-174.2	34.8	0	0	111.8	W938 N945	W938-Q941 HydrophobicContact CB-CB 4.35Å; W938-Q941 PolarHBondContact O-N 2.84Å; Q941-N945 VanDerWaalsContact O-CB 3.23Å; Q941-N945 WeakPolarHBondContact O-CB 3.13Å; Q941-N945 PolarHBondContact O-N 2.83Å; Q941-N945 PolarHBondContact O-ND2 3.08Å
942	Y	94.3	Very high	92.2	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-67.1	-42.2	174.6	-178	-96.7	0	0	0	112.7	I930 L933 V937 W938 Q940 V946 L947 F975 F996 L998	I930-Y942 HydrophobicContact CD1-CE1 4.19Å; I930-Y942 WeakPolarHBondContact CD1-OH 3.45Å; L933-Y942 HydrophobicContact CD1-CD1 4.22Å; L933-Y942 HydrophobicContact CD1-CG 3.95Å; L933-Y942 HydrophobicContact CD2-CD1 3.79Å; L933-Y942 HydrophobicContact CD2-CD2 3.87Å; L933-Y942 HydrophobicContact CD2-CE1 3.84Å; L933-Y942 HydrophobicContact CD2-CE2 3.91Å; L933-Y942 HydrophobicContact CD2-CG 3.82Å; V937-Y942 HydrophobicContact CG1-CD2 3.73Å; V937-Y942 HydrophobicContact CG1-CG 4.28Å; W938-Y942 VanDerWaalsContact O-CB 3.26Å; W938-Y942 WeakPolarHBondContact O-CB 3.3Å; W938-Y942 PolarHBondContact O-N 3.18Å; Q940-Y942 PolarHBondContact O-N 2.89Å; Y942-V946 HydrophobicContact CD2-CB 4.04Å; Y942-V946 HydrophobicContact CD2-CG2 3.48Å; Y942-V946 VanDerWaalsContact CD2-CG2 3.48Å; Y942-V946 HydrophobicContact CE1-CB 4.49Å; Y942-V946 HydrophobicContact CE2-CB 3.87Å; Y942-V946 HydrophobicContact CE2-CG1 3.92Å; Y942-V946 HydrophobicContact CE2-CG2 3.63Å; Y942-V946 HydrophobicContact CG-CB 4.42Å; Y942-V946 HydrophobicContact CG-CG2 4.12Å; Y942-V946 WeakPolarHBondContact O-CA 3.39Å; Y942-V946 WeakPolarHBondContact O-CB 3.38Å; Y942-V946 WeakPolarHBondContact O-CG2 3.29Å; Y942-V946 PolarHBondContact O-N 2.93Å; Y942-L947 HydrophobicContact CD1-CD1 4.24Å; Y942-L947 HydrophobicContact CD1-CG 4.14Å; Y942-L947 HydrophobicContact CE1-CD1 4.02Å; Y942-L947 HydrophobicContact CE1-CD2 3.85Å; Y942-L947 HydrophobicContact CE1-CG 3.78Å; Y942-L947 PolarHBondContact O-N 3.35Å; Y942-F975 HydrophobicContact CD1-CD2 4.49Å; Y942-F975 AromaticContact CD1-CE2 3.92Å; Y942-F975 HydrophobicContact CD1-CE2 3.92Å; Y942-F975 HydrophobicContact CD1-CZ 4.37Å; Y942-F975 HydrophobicContact CE1-CE2 4.4Å; Y942-F996 WeakPolarHBondContact CE2-O 3.45Å; Y942-F996 PolarHBondContact OH-O 3.22Å; Y942-L998 HydrophobicContact CE2-CD2 4.11Å
943	K	93.4	Very high	91.6	Very high	31 Å²	31	40.3 Å²	40.3	14%	0.135	21%	0.206	C	C	.	.	I	π-helix	trans	-56.8	-54.8	174.4	176.5	-173.6	-179.7	166.9	0	110.9	T939 Q940 L947 E948 Y964 E966 F975	T939-K943 PolarHBondContact O-N 2.86Å; Q940-K943 WeakPolarHBondContact O-CB 3.19Å; Q940-K943 PolarHBondContact O-N 2.88Å; Q940-K943 VanDerWaalsContact O-N 3.12Å; K943-L947 PolarHBondContact O-N 2.79Å; K943-E948 WeakPolarHBondContact CE-OE1 3.45Å; K943-E948 HydrophobicContact CG-CG 4.44Å; K943-E948 PolarHBondContact O-N 3.13Å; K943-Y964 WeakPolarHBondContact CE-OH 3.4Å; K943-Y964 HydrophobicContact CG-CE2 4.24Å; K943-Y964 WeakPolarHBondContact CG-OH 3.35Å; K943-E966 WeakPolarHBondContact CD-OE2 3.4Å; K943-E966 WeakPolarHBondContact CE-OE1 3.33Å; K943-E966 WeakPolarHBondContact CE-OE2 3.32Å; K943-E966 IonicContact NZ-OE1 3.76Å; K943-E966 PolarHBondContact NZ-OE1 2.84Å; K943-E966 IonicContact NZ-OE2 2.79Å; K943-E966 PolarHBondContact NZ-OE2 3.37Å; K943-F975 HydrophobicContact CB-CZ 4.47Å
944	E	92.4	Very high	91.1	Very high	89 Å²	89	43.9 Å²	43.9	42%	0.416	23%	0.228	S	C	.	.	I	π-helix	trans	-67.5	-41.1	-176.6	-66.6	165.6	175.7	0	0	113	Q940 P949	Q940-E944 WeakPolarHBondContact CG-OE1 3.32Å; Q940-E944 PolarHBondContact NE2-OE1 3.23Å; Q940-E944 PolarHBondContact O-N 2.89Å; Q940-E944 VanDerWaalsContact O-N 3.09Å; E944-P949 WeakPolarHBondContact O-CD 3.44Å; E944-P949 WeakPolarHBondContact O-CG 3.36Å
945	N	91.2	Very high	90.1	Very high	91 Å²	91	47.9 Å²	47.9	49%	0.487	25%	0.25	S	C	.	.	I	π-helix	trans	-99.4	0.6	-173.1	-64.5	-80.9	0	0	0	114.5	Q941 K997	Q941-N945 VanDerWaalsContact O-CB 3.23Å; Q941-N945 WeakPolarHBondContact O-CB 3.13Å; Q941-N945 PolarHBondContact O-N 2.83Å; Q941-N945 PolarHBondContact O-ND2 3.08Å; N945-K997 PolarHBondContact O-NZ 3.46Å
946	V	91.7	Very high	89.3	Confident	8 Å²	8	52.9 Å²	52.9	5%	0.048	28%	0.276	C	S	.	.	I	π-helix	trans	-133.5	-59	178.6	-162.6	0	0	0	0	112.2	Y942 M950 K997	Y942-V946 HydrophobicContact CD2-CB 4.04Å; Y942-V946 HydrophobicContact CD2-CG2 3.48Å; Y942-V946 VanDerWaalsContact CD2-CG2 3.48Å; Y942-V946 HydrophobicContact CE1-CB 4.49Å; Y942-V946 HydrophobicContact CE2-CB 3.87Å; Y942-V946 HydrophobicContact CE2-CG1 3.92Å; Y942-V946 HydrophobicContact CE2-CG2 3.63Å; Y942-V946 HydrophobicContact CG-CB 4.42Å; Y942-V946 HydrophobicContact CG-CG2 4.12Å; Y942-V946 WeakPolarHBondContact O-CA 3.39Å; Y942-V946 WeakPolarHBondContact O-CB 3.38Å; Y942-V946 WeakPolarHBondContact O-CG2 3.29Å; Y942-V946 PolarHBondContact O-N 2.93Å; V946-M950 HydrophobicContact CG1-CE 3.6Å; V946-M950 HydrophobicContact CG1-SD 4.22Å; V946-M950 VanDerWaalsContact O-CG 3.23Å; V946-M950 WeakPolarHBondContact O-CG 3.23Å; V946-M950 PolarHBondContact O-N 3.27Å; V946-K997 HydrophobicContact CG1-CB 4.49Å; V946-K997 HydrophobicContact CG1-CD 4.08Å; V946-K997 HydrophobicContact CG1-CG 4.07Å; V946-K997 HydrophobicContact CG2-CD 3.78Å
947	L	92.6	Very high	88.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.286	C	S	.	.	I	π-helix	trans	-74.8	-46.2	-171.2	-60	-177.2	0	0	0	112.7	Y942 K943 M950 L951 Y964 F975 I977 F996	Y942-L947 HydrophobicContact CD1-CD1 4.24Å; Y942-L947 HydrophobicContact CD1-CG 4.14Å; Y942-L947 HydrophobicContact CE1-CD1 4.02Å; Y942-L947 HydrophobicContact CE1-CD2 3.85Å; Y942-L947 HydrophobicContact CE1-CG 3.78Å; Y942-L947 PolarHBondContact O-N 3.35Å; K943-L947 PolarHBondContact O-N 2.79Å; L947-M950 CarbonylContact O-C 3.58Å; L947-M950 WeakPolarHBondContact O-CA 3.48Å; L947-M950 WeakPolarHBondContact O-CB 3.3Å; L947-M950 PolarHBondContact O-N 3.11Å; L947-L951 PolarHBondContact O-N 3.08Å; L947-Y964 HydrophobicContact CB-CD1 4.23Å; L947-Y964 HydrophobicContact CB-CE1 4Å; L947-Y964 HydrophobicContact CD1-CD2 4.12Å; L947-Y964 HydrophobicContact CD1-CE2 4.28Å; L947-Y964 HydrophobicContact CD1-CG 4.35Å; L947-F975 HydrophobicContact CD1-CB 4.47Å; L947-F975 HydrophobicContact CD1-CD1 3.65Å; L947-F975 HydrophobicContact CD1-CD2 4.35Å; L947-F975 HydrophobicContact CD1-CE1 3.81Å; L947-F975 HydrophobicContact CD1-CE2 4.48Å; L947-F975 HydrophobicContact CD1-CG 3.94Å; L947-F975 HydrophobicContact CD1-CZ 4.22Å; L947-I977 HydrophobicContact CD2-CD1 3.62Å; L947-F996 HydrophobicContact CD2-CD1 4.44Å
948	E	92.3	Very high	87.9	Confident	61 Å²	61	65 Å²	65	29%	0.285	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-42.3	179.6	-67	-177.6	-179.8	0	0	113	K943 M950 L951 Y952 Y964	K943-E948 WeakPolarHBondContact CE-OE1 3.45Å; K943-E948 HydrophobicContact CG-CG 4.44Å; K943-E948 PolarHBondContact O-N 3.13Å; E948-M950 PolarHBondContact O-N 3.33Å; E948-L951 PolarHBondContact O-N 3.01Å; E948-Y952 HydrophobicContact CB-CD2 4.17Å; E948-Y952 HydrophobicContact CB-CE2 4.15Å; E948-Y952 HydrophobicContact CG-CE2 4.32Å; E948-Y952 WeakPolarHBondContact O-CD2 3.42Å; E948-Y952 PolarHBondContact O-N 3.01Å; E948-Y964 HydrophobicContact CG-CE1 4.46Å; E948-Y964 WeakPolarHBondContact CG-OH 3.21Å; E948-Y964 PolarHBondContact OE1-OH 3.19Å
949	P	90.6	Very high	87.5	Confident	45 Å²	45	64.8 Å²	64.8	29%	0.292	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-24	169.2	-27.4	35.9	0	0	0	114.7	E944 G953 T954	E944-P949 WeakPolarHBondContact O-CD 3.44Å; E944-P949 WeakPolarHBondContact O-CG 3.36Å; P949-G953 WeakPolarHBondContact O-CA 3.4Å; P949-G953 PolarHBondContact O-N 3.44Å; P949-T954 HydrophobicContact CB-CG2 4.17Å
950	M	91.2	Very high	87.3	Confident	24 Å²	24	66.6 Å²	66.6	12%	0.118	34%	0.337	C	S	.	.	H	α-helix	trans	-84.2	-23	172.4	-72.9	176.6	-169.9	0	0	113	V946 L947 E948 A959 L960 I961 V995 F996	V946-M950 HydrophobicContact CG1-CE 3.6Å; V946-M950 HydrophobicContact CG1-SD 4.22Å; V946-M950 VanDerWaalsContact O-CG 3.23Å; V946-M950 WeakPolarHBondContact O-CG 3.23Å; V946-M950 PolarHBondContact O-N 3.27Å; L947-M950 CarbonylContact O-C 3.58Å; L947-M950 WeakPolarHBondContact O-CA 3.48Å; L947-M950 WeakPolarHBondContact O-CB 3.3Å; L947-M950 PolarHBondContact O-N 3.11Å; E948-M950 PolarHBondContact O-N 3.33Å; M950-A959 CarbonylContact O-C 3.55Å; M950-A959 WeakPolarHBondContact O-CA 3.3Å; M950-L960 PolarHBondContact O-N 2.98Å; M950-I961 HydrophobicContact CB-CD1 4.23Å; M950-I961 HydrophobicContact CB-CG1 4.11Å; M950-I961 HydrophobicContact CB-CG2 4.41Å; M950-I961 PolarHBondContact O-N 3.08Å; M950-V995 WeakPolarHBondContact CE-O 3.47Å; M950-F996 HydrophobicContact SD-CD1 3.93Å; M950-F996 HydrophobicContact SD-CE1 3.91Å
951	L	90.9	Very high	87.2	Confident	36 Å²	36	64.3 Å²	64.3	19%	0.188	33%	0.327	C	S	.	.	H	α-helix	trans	-84	-48	177.9	-177.5	64.5	0	0	0	111.8	L947 E948 A959 I961 Q962 Y964	L947-L951 PolarHBondContact O-N 3.08Å; E948-L951 PolarHBondContact O-N 3.01Å; L951-A959 VanDerWaalsContact O-CB 3.3Å; L951-A959 WeakPolarHBondContact O-CB 3.4Å; L951-I961 HydrophobicContact CB-CD1 4.18Å; L951-I961 HydrophobicContact CB-CG1 4.03Å; L951-I961 HydrophobicContact CD1-CG1 4.15Å; L951-Q962 VanDerWaalsContact CD1-O 3.3Å; L951-Q962 WeakPolarHBondContact CD1-O 3.42Å; L951-Y964 HydrophobicContact CD2-CD1 4.31Å; L951-Y964 HydrophobicContact CD2-CE1 3.93Å
952	Y	89.1	Confident	87.1	Confident	173 Å²	173	66.1 Å²	66.1	68%	0.678	34%	0.335	S	S	*	.	H	α-helix	trans	-93.2	-22.2	-176.9	-56.7	-59.7	0	0	0	113.5	E948	E948-Y952 HydrophobicContact CB-CD2 4.17Å; E948-Y952 HydrophobicContact CB-CE2 4.15Å; E948-Y952 HydrophobicContact CG-CE2 4.32Å; E948-Y952 WeakPolarHBondContact O-CD2 3.42Å; E948-Y952 PolarHBondContact O-N 3.01Å
953	G	82	Confident	86.9	Confident	18 Å²	18	69.3 Å²	69.3	19%	0.186	35%	0.353	C	S	.	.			trans	77.5	179.2	-168.7	0	0	0	0	0	113.1	P949 K957	P949-G953 WeakPolarHBondContact O-CA 3.4Å; P949-G953 PolarHBondContact O-N 3.44Å; G953-K957 CarbonylContact C-O 3.53Å; G953-K957 VanDerWaalsContact CA-O 3.32Å; G953-K957 WeakPolarHBondContact CA-O 3.23Å
954	T	82.2	Confident	86.9	Confident	75 Å²	75	69 Å²	69	46%	0.46	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-147.3	167.5	175.6	58.5	0	0	0	0	109.3	P949 N956 K957	P949-T954 HydrophobicContact CB-CG2 4.17Å; T954-N956 PolarHBondContact O-N 2.99Å; T954-K957 PolarHBondContact N-O 3.44Å; T954-K957 CarbonylContact O-C 3.46Å; T954-K957 PolarHBondContact O-N 2.89Å; T954-K957 PolarHBondContact OG1-N 3.21Å
955	D	74.2	Confident	86.9	Confident	84 Å²	84	69.6 Å²	69.6	45%	0.449	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.4	-29.9	175.7	-75.2	2.1	0	0	0	115.4	V1330 F1332	D955-V1330 HydrophobicContact CB-CG1 4.46Å; D955-V1330 WeakPolarHBondContact OD2-CG1 3.37Å; D955-F1332 WeakPolarHBondContact OD2-CD2 3.36Å
956	N	75.9	Confident	86.9	Confident	123 Å²	123	69 Å²	69	66%	0.658	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	0.2	-174.2	-59.3	-81.8	0	0	0	113.7	T954	T954-N956 PolarHBondContact O-N 2.99Å
957	K	74	Confident	86.9	Confident	144 Å²	144	72.7 Å²	72.7	63%	0.626	36%	0.36	S	S	*	.	B	Isolated β-bridge	trans	-146.4	128.8	179.7	-65.3	-172.4	177.1	-175.7	0	111.8	G953 T954	G953-K957 CarbonylContact C-O 3.53Å; G953-K957 VanDerWaalsContact CA-O 3.32Å; G953-K957 WeakPolarHBondContact CA-O 3.23Å; T954-K957 PolarHBondContact N-O 3.44Å; T954-K957 CarbonylContact O-C 3.46Å; T954-K957 PolarHBondContact O-N 2.89Å; T954-K957 PolarHBondContact OG1-N 3.21Å
958	Q	78.5	Confident	86.7	Confident	183 Å²	183	74.8 Å²	74.8	86%	0.855	37%	0.37	S	S	*	.			trans	-70.2	155.2	171.8	-67.3	176	-19.3	0	0	111.2
959	A	85.3	Confident	86.4	Confident	53 Å²	53	73.7 Å²	73.7	44%	0.438	37%	0.367	S	S	.	.			trans	-61.8	140.7	169.9	0	0	0	0	0	110.8	M950 L951	M950-A959 CarbonylContact O-C 3.55Å; M950-A959 WeakPolarHBondContact O-CA 3.3Å; L951-A959 VanDerWaalsContact O-CB 3.3Å; L951-A959 WeakPolarHBondContact O-CB 3.4Å
960	L	88.3	Confident	86.1	Confident	38 Å²	38	75.5 Å²	75.5	20%	0.199	38%	0.375	C	S	.	.			trans	-121.1	-34.3	-172.2	-178.4	64.6	0	0	0	112.4	M950 M979 N983 V995	M950-L960 PolarHBondContact O-N 2.98Å; L960-M979 HydrophobicContact CD1-CE 4.19Å; L960-M979 HydrophobicContact CD2-CE 4.48Å; L960-M979 HydrophobicContact CG-CE 3.82Å; L960-M979 WeakPolarHBondContact O-CE 3.37Å; L960-N983 HydrophobicContact CD1-CB 4.14Å; L960-N983 PolarHBondContact O-ND2 3.44Å; L960-V995 HydrophobicContact CD2-CG1 3.67Å
961	I	89.8	Confident	85.6	Confident	8 Å²	8	78 Å²	78	4%	0.041	39%	0.391	C	S	.	.			trans	-104.1	154.9	178.6	68.7	176.3	0	0	0	110.5	M950 L951 Y964 I977 M979 F996	M950-I961 HydrophobicContact CB-CD1 4.23Å; M950-I961 HydrophobicContact CB-CG1 4.11Å; M950-I961 HydrophobicContact CB-CG2 4.41Å; M950-I961 PolarHBondContact O-N 3.08Å; L951-I961 HydrophobicContact CB-CD1 4.18Å; L951-I961 HydrophobicContact CB-CG1 4.03Å; L951-I961 HydrophobicContact CD1-CG1 4.15Å; I961-Y964 HydrophobicContact CD1-CD1 3.83Å; I961-I977 HydrophobicContact CB-CG2 3.9Å; I961-I977 HydrophobicContact CD1-CG2 4.24Å; I961-I977 HydrophobicContact CG2-CG2 3.51Å; I961-M979 HydrophobicContact CG2-CE 4.06Å; I961-M979 HydrophobicContact CG2-CG 4.17Å; I961-M979 HydrophobicContact CG2-SD 4.31Å; I961-F996 HydrophobicContact CG2-CE1 4.01Å; I961-F996 HydrophobicContact CG2-CZ 4.08Å
962	Q	88.9	Confident	85.5	Confident	101 Å²	101	77.8 Å²	77.8	47%	0.472	39%	0.391	S	S	.	.	S	Bend	trans	-91.6	-40.5	179	-68.2	-171.8	-29.8	0	0	113	L951 Q978 T980	L951-Q962 VanDerWaalsContact CD1-O 3.3Å; L951-Q962 WeakPolarHBondContact CD1-O 3.42Å; Q962-Q978 PolarHBondContact N-O 3.44Å; Q962-T980 HydrophobicContact CG-CG2 4.5Å
963	D	91.4	Very high	85.6	Confident	70 Å²	70	69.5 Å²	69.5	37%	0.374	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	163.1	-174.5	-173	27.2	0	0	0	108.2	Q978	D963-Q978 HydrophobicContact CB-CB 4.28Å; D963-Q978 PolarHBondContact O-N 2.95Å
964	Y	92.9	Very high	86.1	Confident	25 Å²	25	69.8 Å²	69.8	10%	0.098	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	149.4	167.1	67.1	-92.2	0	0	0	111.4	K943 L947 E948 L951 I961 E966 F975 V976	K943-Y964 WeakPolarHBondContact CE-OH 3.4Å; K943-Y964 HydrophobicContact CG-CE2 4.24Å; K943-Y964 WeakPolarHBondContact CG-OH 3.35Å; L947-Y964 HydrophobicContact CB-CD1 4.23Å; L947-Y964 HydrophobicContact CB-CE1 4Å; L947-Y964 HydrophobicContact CD1-CD2 4.12Å; L947-Y964 HydrophobicContact CD1-CE2 4.28Å; L947-Y964 HydrophobicContact CD1-CG 4.35Å; E948-Y964 HydrophobicContact CG-CE1 4.46Å; E948-Y964 WeakPolarHBondContact CG-OH 3.21Å; E948-Y964 PolarHBondContact OE1-OH 3.19Å; L951-Y964 HydrophobicContact CD2-CD1 4.31Å; L951-Y964 HydrophobicContact CD2-CE1 3.93Å; I961-Y964 HydrophobicContact CD1-CD1 3.83Å; Y964-E966 HydrophobicContact CD2-CG 4.04Å; Y964-E966 HydrophobicContact CE2-CG 3.86Å; Y964-F975 HydrophobicContact CD2-CD1 4.32Å; Y964-V976 CarbonylContact C-O 3.12Å; Y964-V976 WeakPolarHBondContact CA-O 3.37Å
965	K	92.2	Very high	86.7	Confident	101 Å²	101	66.2 Å²	66.2	44%	0.439	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	137.6	-179.9	-61.8	-178.5	-176.8	176.6	0	110.7	Y967 F975 V976	K965-Y967 HydrophobicContact CB-CD2 4.24Å; K965-Y967 HydrophobicContact CB-CE2 3.57Å; K965-Y967 HydrophobicContact CD-CE2 4.41Å; K965-F975 CarbonylContact O-C 3.58Å; K965-F975 WeakPolarHBondContact O-CA 3.34Å; K965-V976 HydrophobicContact CB-CB 4.44Å; K965-V976 PolarHBondContact N-O 3.06Å; K965-V976 PolarHBondContact O-N 3.38Å
966	E	91.4	Very high	87.6	Confident	78 Å²	78	63 Å²	63	36%	0.364	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.8	-175.2	-62.1	173.7	-108	0	0	109.1	K943 Y964 H968 F975	K943-E966 WeakPolarHBondContact CD-OE2 3.4Å; K943-E966 WeakPolarHBondContact CE-OE1 3.33Å; K943-E966 WeakPolarHBondContact CE-OE2 3.32Å; K943-E966 IonicContact NZ-OE1 3.76Å; K943-E966 PolarHBondContact NZ-OE1 2.84Å; K943-E966 IonicContact NZ-OE2 2.79Å; K943-E966 PolarHBondContact NZ-OE2 3.37Å; Y964-E966 HydrophobicContact CD2-CG 4.04Å; Y964-E966 HydrophobicContact CE2-CG 3.86Å; E966-H968 IonicContact OE2-CE1 3.36Å; E966-H968 PolarHBondContact OE2-CE1 3.05Å; E966-H968 VanDerWaalsContact OE2-CE1 3.27Å; E966-F975 HydrophobicContact CG-CD1 4.03Å; E966-F975 HydrophobicContact CG-CE1 3.99Å
967	Y	90.6	Very high	88.4	Confident	86 Å²	86	57.1 Å²	57.1	34%	0.337	28%	0.284	S	S	.	.			trans	-129	20	177.4	-59.4	-76.8	0	0	0	111.5	K965 R974 V976 E1232	K965-Y967 HydrophobicContact CB-CD2 4.24Å; K965-Y967 HydrophobicContact CB-CE2 3.57Å; K965-Y967 HydrophobicContact CD-CE2 4.41Å; Y967-R974 CarbonylContact C-O 3.49Å; Y967-R974 PolarHBondContact N-O 2.85Å; Y967-V976 HydrophobicContact CD2-CB 4.45Å; Y967-V976 HydrophobicContact CD2-CG2 3.94Å; Y967-V976 HydrophobicContact CE2-CB 4.16Å; Y967-V976 HydrophobicContact CE2-CG2 3.92Å; Y967-E1232 WeakPolarHBondContact CB-O 3.49Å
968	H	88.3	Confident	89.3	Confident	44 Å²	44	53.8 Å²	53.8	20%	0.204	27%	0.271	C	S	.	.			trans	-74	163.1	177.3	57.6	-116.6	0	0	0	111.9	T939 E966 T972 R974 F975	T939-H968 HydrophobicContact CG2-CB 4.2Å; E966-H968 IonicContact OE2-CE1 3.36Å; E966-H968 PolarHBondContact OE2-CE1 3.05Å; E966-H968 VanDerWaalsContact OE2-CE1 3.27Å; H968-T972 CarbonylContact C-O 3.52Å; H968-T972 VanDerWaalsContact CA-O 3.24Å; H968-T972 WeakPolarHBondContact CA-O 3.37Å; H968-T972 WeakPolarHBondContact CB-O 3.44Å; H968-R974 PolarHBondContact N-O 2.85Å; H968-F975 AromaticContact ND1-CE1 3.71Å; H968-F975 AromaticContact ND1-CZ 3.84Å
969	T	87.4	Confident	89.8	Confident	38 Å²	38	45.3 Å²	45.3	23%	0.233	23%	0.231	C	C	.	.			trans	-121.5	-179.6	170.4	65.9	0	0	0	0	110	L801 T971 T972 T1233	L801-T969 WeakPolarHBondContact CD2-O 3.46Å; T969-T971 PolarHBondContact O-N 2.87Å; T969-T971 VanDerWaalsContact O-N 3.15Å; T969-T971 PolarHBondContact OG1-N 2.73Å; T969-T971 PolarHBondContact OG1-OG1 2.92Å; T969-T972 PolarHBondContact N-O 3.18Å; T969-T972 PolarHBondContact OG1-N 3.37Å; T969-T972 PolarHBondContact OG1-OG1 3.31Å; T969-T1233 HydrophobicContact CG2-CG2 3.65Å
970	D	82.8	Confident	89.9	Confident	84 Å²	84	45.1 Å²	45.1	45%	0.449	23%	0.225	S	C	.	.	S	Bend	trans	-44	-34.4	162.1	51	5	0	0	0	114.7	T799 R800	T799-D970 WeakPolarHBondContact CB-O 3.37Å; T799-D970 HydrophobicContact CG2-CB 3.77Å; R800-D970 WeakPolarHBondContact CB-O 3.28Å; R800-D970 PolarHBondContact N-O 3.33Å; R800-D970 VanDerWaalsContact N-O 3.1Å
971	T	82.4	Confident	89.7	Confident	76 Å²	76	46.1 Å²	46.1	47%	0.466	24%	0.239	S	C	.	.	S	Bend	trans	-114.5	-25.1	-166.4	41.8	0	0	0	0	113.6	T969	T969-T971 PolarHBondContact O-N 2.87Å; T969-T971 VanDerWaalsContact O-N 3.15Å; T969-T971 PolarHBondContact OG1-N 2.73Å; T969-T971 PolarHBondContact OG1-OG1 2.92Å
972	T	87.5	Confident	89.5	Confident	31 Å²	31	53 Å²	53	19%	0.19	27%	0.271	C	S	.	.			trans	-128.1	141.1	-171.3	65.6	0	0	0	0	112	H968 T969	H968-T972 CarbonylContact C-O 3.52Å; H968-T972 VanDerWaalsContact CA-O 3.24Å; H968-T972 WeakPolarHBondContact CA-O 3.37Å; H968-T972 WeakPolarHBondContact CB-O 3.44Å; T969-T972 PolarHBondContact N-O 3.18Å; T969-T972 PolarHBondContact OG1-N 3.37Å; T969-T972 PolarHBondContact OG1-OG1 3.31Å
973	V	91	Very high	89.3	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.			trans	-98.4	133.4	172.7	-172.5	0	0	0	0	110.3	S931 L933 T939 F975	S931-V973 CarbonylContact C-O 3.43Å; S931-V973 WeakPolarHBondContact CA-O 3.03Å; S931-V973 VanDerWaalsContact O-O 3.1Å; L933-V973 HydrophobicContact CD1-CG1 4.25Å; L933-V973 HydrophobicContact CD1-CG2 4.21Å; L933-V973 HydrophobicContact CG-CG1 4.07Å; L933-V973 HydrophobicContact CG-CG2 4.21Å; T939-V973 HydrophobicContact CG2-CG1 4.34Å; T939-V973 HydrophobicContact CG2-CG2 4.41Å; V973-F975 HydrophobicContact CG1-CD2 3.63Å; V973-F975 HydrophobicContact CG1-CE2 3.58Å
974	R	93.2	Very high	89.1	Confident	24 Å²	24	47 Å²	47	9%	0.091	24%	0.242	C	C	.	.			trans	-148.7	115	163.2	-169.9	179	-173.1	177.1	17.2	110.1	E929 I930 Y967 H968 K1231 E1232 A1234	E929-R974 HydrophobicContact CG-CG 4.2Å; E929-R974 IonicContact OE1-CZ 3.82Å; E929-R974 IonicContact OE1-NE 2.71Å; E929-R974 PolarHBondContact OE1-NE 3.24Å; E929-R974 IonicContact OE1-NH2 3.74Å; E929-R974 PolarHBondContact OE1-NH2 2.96Å; E929-R974 IonicContact OE2-NE 3.7Å; E929-R974 IonicContact OE2-NH2 2.82Å; I930-R974 CarbonylContact O-C 3.53Å; I930-R974 VanDerWaalsContact O-CA 3.31Å; I930-R974 WeakPolarHBondContact O-CA 3.41Å; Y967-R974 CarbonylContact C-O 3.49Å; Y967-R974 PolarHBondContact N-O 2.85Å; H968-R974 PolarHBondContact N-O 2.85Å; R974-K1231 PolarHBondContact NH1-O 3.35Å; R974-K1231 VanDerWaalsContact NH1-O 3.08Å; R974-E1232 WeakPolarHBondContact CD-O 3.36Å; R974-E1232 PolarHBondContact NH1-O 3.13Å; R974-A1234 WeakPolarHBondContact CD-O 3.17Å; R974-A1234 PolarHBondContact NE-O 2.89Å; R974-A1234 PolarHBondContact NH1-O 3.33Å
975	F	94.1	Very high	88.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.2	168.5	-64	-81.6	0	0	0	109.4	E929 I930 T939 Y942 K943 L947 Y964 K965 E966 H968 V973 I977	E929-F975 CarbonylContact C-O 3.58Å; E929-F975 WeakPolarHBondContact CA-O 3.48Å; I930-F975 HydrophobicContact CB-CB 4.36Å; I930-F975 PolarHBondContact N-O 2.98Å; I930-F975 PolarHBondContact O-N 3.21Å; T939-F975 HydrophobicContact CG2-CE2 3.86Å; T939-F975 HydrophobicContact CG2-CZ 3.62Å; Y942-F975 HydrophobicContact CD1-CD2 4.49Å; Y942-F975 AromaticContact CD1-CE2 3.92Å; Y942-F975 HydrophobicContact CD1-CE2 3.92Å; Y942-F975 HydrophobicContact CD1-CZ 4.37Å; Y942-F975 HydrophobicContact CE1-CE2 4.4Å; K943-F975 HydrophobicContact CB-CZ 4.47Å; L947-F975 HydrophobicContact CD1-CB 4.47Å; L947-F975 HydrophobicContact CD1-CD1 3.65Å; L947-F975 HydrophobicContact CD1-CD2 4.35Å; L947-F975 HydrophobicContact CD1-CE1 3.81Å; L947-F975 HydrophobicContact CD1-CE2 4.48Å; L947-F975 HydrophobicContact CD1-CG 3.94Å; L947-F975 HydrophobicContact CD1-CZ 4.22Å; Y964-F975 HydrophobicContact CD2-CD1 4.32Å; K965-F975 CarbonylContact O-C 3.58Å; K965-F975 WeakPolarHBondContact O-CA 3.34Å; E966-F975 HydrophobicContact CG-CD1 4.03Å; E966-F975 HydrophobicContact CG-CE1 3.99Å; H968-F975 AromaticContact ND1-CE1 3.71Å; H968-F975 AromaticContact ND1-CZ 3.84Å; V973-F975 HydrophobicContact CG1-CD2 3.63Å; V973-F975 HydrophobicContact CG1-CE2 3.58Å; F975-I977 HydrophobicContact CB-CG1 4.5Å
976	V	93	Very high	88.3	Confident	15 Å²	15	46.3 Å²	46.3	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	107	173	177.4	0	0	0	0	108.9	L923 L928 E929 Y964 K965 Y967	L923-V976 HydrophobicContact CD1-CG1 3.86Å; L923-V976 HydrophobicContact CD1-CG2 4.25Å; L928-V976 CarbonylContact O-C 3.54Å; L928-V976 WeakPolarHBondContact O-CA 3.42Å; E929-V976 HydrophobicContact CB-CG2 4.48Å; E929-V976 HydrophobicContact CG-CG2 4.3Å; Y964-V976 CarbonylContact C-O 3.12Å; Y964-V976 WeakPolarHBondContact CA-O 3.37Å; K965-V976 HydrophobicContact CB-CB 4.44Å; K965-V976 PolarHBondContact N-O 3.06Å; K965-V976 PolarHBondContact O-N 3.38Å; Y967-V976 HydrophobicContact CD2-CB 4.45Å; Y967-V976 HydrophobicContact CD2-CG2 3.94Å; Y967-V976 HydrophobicContact CE2-CB 4.16Å; Y967-V976 HydrophobicContact CE2-CG2 3.92Å
977	I	93.3	Very high	88	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.9	-172.1	-59.9	178.3	0	0	0	109.6	R927 L928 I930 L947 I961 F975 M979 F996	R927-I977 WeakPolarHBondContact CA-O 3.28Å; L928-I977 PolarHBondContact N-O 3.14Å; L928-I977 PolarHBondContact O-N 3.16Å; I930-I977 HydrophobicContact CD1-CD1 3.5Å; I930-I977 HydrophobicContact CG1-CD1 4.07Å; L947-I977 HydrophobicContact CD2-CD1 3.62Å; I961-I977 HydrophobicContact CB-CG2 3.9Å; I961-I977 HydrophobicContact CD1-CG2 4.24Å; I961-I977 HydrophobicContact CG2-CG2 3.51Å; F975-I977 HydrophobicContact CB-CG1 4.5Å; I977-M979 HydrophobicContact CG2-CG 4.08Å; I977-F996 HydrophobicContact CD1-CD1 3.93Å; I977-F996 HydrophobicContact CD1-CE1 3.59Å; I977-F996 HydrophobicContact CD1-CZ 4.32Å; I977-F996 HydrophobicContact CG2-CE1 4.28Å; I977-F996 HydrophobicContact CG2-CZ 4.34Å
978	Q	92.1	Very high	87.8	Confident	73 Å²	73	43.1 Å²	43.1	34%	0.341	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.8	176.5	-168.1	179.6	-58.8	0	0	111.4	G926 R927 Q962 D963	G926-Q978 CarbonylContact O-C 3.56Å; G926-Q978 WeakPolarHBondContact O-CA 3.21Å; R927-Q978 HydrophobicContact CG-CG 4.45Å; Q962-Q978 PolarHBondContact N-O 3.44Å; D963-Q978 HydrophobicContact CB-CB 4.28Å; D963-Q978 PolarHBondContact O-N 2.95Å
979	M	89.6	Confident	87.6	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.025	26%	0.261	C	S	.	.			trans	-140	164.4	-176.1	-53.8	-169.7	71.7	0	0	110.9	G926 L928 L960 I961 I977 N983 L984 C987 F996	G926-M979 PolarHBondContact O-N 3.22Å; L928-M979 HydrophobicContact CD1-SD 4.04Å; L960-M979 HydrophobicContact CD1-CE 4.19Å; L960-M979 HydrophobicContact CD2-CE 4.48Å; L960-M979 HydrophobicContact CG-CE 3.82Å; L960-M979 WeakPolarHBondContact O-CE 3.37Å; I961-M979 HydrophobicContact CG2-CE 4.06Å; I961-M979 HydrophobicContact CG2-CG 4.17Å; I961-M979 HydrophobicContact CG2-SD 4.31Å; I977-M979 HydrophobicContact CG2-CG 4.08Å; M979-N983 HydrophobicContact CE-CB 3.87Å; M979-L984 HydrophobicContact CB-CB 4.47Å; M979-L984 HydrophobicContact SD-CD1 4.46Å; M979-C987 VanDerWaalsContact CE-SG 3.55Å; M979-F996 HydrophobicContact CE-CZ 4.24Å; M979-F996 HydrophobicContact SD-CE2 4.22Å; M979-F996 HydrophobicContact SD-CZ 3.78Å
980	T	88.3	Confident	87.3	Confident	49 Å²	49	53 Å²	53	30%	0.301	27%	0.272	S	S	.	.			trans	-72.6	147.6	160.9	61	0	0	0	0	109.4	Q962 Q982 N983 L984	Q962-T980 HydrophobicContact CG-CG2 4.5Å; T980-Q982 PolarHBondContact O-N 3.2Å; T980-Q982 VanDerWaalsContact O-N 3.16Å; T980-N983 PolarHBondContact O-N 3.31Å; T980-N983 VanDerWaalsContact OG1-CB 3.3Å; T980-N983 WeakPolarHBondContact OG1-CB 3.41Å; T980-N983 PolarHBondContact OG1-N 2.83Å; T980-N983 VanDerWaalsContact OG1-N 3.08Å; T980-N983 PolarHBondContact OG1-OD1 3.5Å; T980-N983 VanDerWaalsContact OG1-OD1 3.08Å; T980-L984 PolarHBondContact O-N 3.15Å
981	A	84.6	Confident	87.4	Confident	60 Å²	60	50.3 Å²	50.3	50%	0.496	26%	0.264	S	S	.	.	H	α-helix	trans	-55.2	-33.1	173.3	0	0	0	0	0	112.5	D925 A985	D925-A981 WeakPolarHBondContact O-CA 3.34Å; D925-A981 WeakPolarHBondContact O-CB 3.16Å; A981-A985 VanDerWaalsContact O-CB 3.23Å; A981-A985 WeakPolarHBondContact O-CB 3.34Å; A981-A985 PolarHBondContact O-N 3.07Å
982	Q	84.5	Confident	87.8	Confident	152 Å²	152	46.9 Å²	46.9	71%	0.71	24%	0.243	S	C	*	.	H	α-helix	trans	-63.7	-46.3	173.6	-178.4	176.7	-7.6	0	0	112.6	T980 Q986	T980-Q982 PolarHBondContact O-N 3.2Å; T980-Q982 VanDerWaalsContact O-N 3.16Å; Q982-Q986 PolarHBondContact O-N 3.47Å
983	N	85.8	Confident	87.9	Confident	39 Å²	39	46 Å²	46	21%	0.209	24%	0.236	C	C	.	.	H	α-helix	trans	-70.4	-37.7	178.9	-67.5	12.7	0	0	0	110.6	L960 M979 T980 Q986 C987	L960-N983 HydrophobicContact CD1-CB 4.14Å; L960-N983 PolarHBondContact O-ND2 3.44Å; M979-N983 HydrophobicContact CE-CB 3.87Å; T980-N983 PolarHBondContact O-N 3.31Å; T980-N983 VanDerWaalsContact OG1-CB 3.3Å; T980-N983 WeakPolarHBondContact OG1-CB 3.41Å; T980-N983 PolarHBondContact OG1-N 2.83Å; T980-N983 VanDerWaalsContact OG1-N 3.08Å; T980-N983 PolarHBondContact OG1-OD1 3.5Å; T980-N983 VanDerWaalsContact OG1-OD1 3.08Å; N983-Q986 WeakPolarHBondContact O-CB 3.46Å; N983-Q986 PolarHBondContact O-N 2.92Å; N983-C987 PolarHBondContact O-N 2.65Å; N983-C987 PolarHBondContact O-SG 3.48Å
984	L	86.3	Confident	87.8	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-61.2	-49.7	174.6	179.9	64.6	0	0	0	111.6	L922 D925 L928 M979 T980 Q986 C987 Q988	L922-L984 HydrophobicContact CD1-CD1 4.29Å; L922-L984 HydrophobicContact CD1-CD2 3.9Å; D925-L984 VanDerWaalsContact C-CD2 3.44Å; D925-L984 VanDerWaalsContact O-CD2 3.26Å; D925-L984 WeakPolarHBondContact O-CD2 3.48Å; L928-L984 HydrophobicContact CD1-CD1 3.74Å; L928-L984 HydrophobicContact CD2-CD1 3.91Å; L928-L984 HydrophobicContact CG-CD1 3.69Å; M979-L984 HydrophobicContact CB-CB 4.47Å; M979-L984 HydrophobicContact SD-CD1 4.46Å; T980-L984 PolarHBondContact O-N 3.15Å; L984-Q986 PolarHBondContact O-N 3.43Å; L984-C987 PolarHBondContact O-N 2.73Å; L984-Q988 WeakPolarHBondContact O-CG 3.35Å; L984-Q988 PolarHBondContact O-N 3.5Å
985	A	83.9	Confident	87.5	Confident	40 Å²	40	52.1 Å²	52.1	33%	0.331	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-18.9	175.5	0	0	0	0	0	113.1	A981 R989	A981-A985 VanDerWaalsContact O-CB 3.23Å; A981-A985 WeakPolarHBondContact O-CB 3.34Å; A981-A985 PolarHBondContact O-N 3.07Å; A985-R989 WeakPolarHBondContact O-CG 3.37Å; A985-R989 PolarHBondContact O-NE 3.07Å
986	Q	85.3	Confident	87.4	Confident	72 Å²	72	52.1 Å²	52.1	34%	0.336	27%	0.266	S	S	.	.	H	α-helix	trans	-77.2	-46.3	165.9	-178	172	-16.9	0	0	111.8	Q982 N983 L984 Q988 R989 E990	Q982-Q986 PolarHBondContact O-N 3.47Å; N983-Q986 WeakPolarHBondContact O-CB 3.46Å; N983-Q986 PolarHBondContact O-N 2.92Å; L984-Q986 PolarHBondContact O-N 3.43Å; Q986-Q988 VanDerWaalsContact C-N 3.3Å; Q986-Q988 PolarHBondContact O-N 3.1Å; Q986-R989 VanDerWaalsContact CA-NH2 3.34Å; Q986-R989 PolarHBondContact O-N 2.9Å; Q986-R989 VanDerWaalsContact O-N 3.09Å; Q986-E990 HydrophobicContact CG-CG 4.48Å; Q986-E990 VanDerWaalsContact CG-OE1 3.23Å; Q986-E990 WeakPolarHBondContact CG-OE1 3.46Å; Q986-E990 PolarHBondContact NE2-OE1 3.46Å; Q986-E990 PolarHBondContact O-N 2.83Å
987	C	85.2	Confident	87.3	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.014	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-36.3	179.2	-64	0	0	0	0	112.7	M979 N983 L984 E990 G991 V992 V995	M979-C987 VanDerWaalsContact CE-SG 3.55Å; N983-C987 PolarHBondContact O-N 2.65Å; N983-C987 PolarHBondContact O-SG 3.48Å; L984-C987 PolarHBondContact O-N 2.73Å; C987-E990 PolarHBondContact O-N 3.48Å; C987-G991 CarbonylContact O-C 3.4Å; C987-G991 VanDerWaalsContact O-C 3.3Å; C987-G991 WeakPolarHBondContact O-CA 3.45Å; C987-G991 PolarHBondContact O-N 3.37Å; C987-V992 PolarHBondContact O-N 3.27Å; C987-V995 HydrophobicContact CB-CG1 4.47Å; C987-V995 HydrophobicContact CB-CG2 4.48Å
988	Q	84.9	Confident	87.3	Confident	96 Å²	96	56.2 Å²	56.2	45%	0.449	28%	0.282	S	S	.	.	H	α-helix	trans	-63.4	-42.5	172.9	-72.4	171.7	-20	0	0	111.9	L984 Q986 G991 V992	L984-Q988 WeakPolarHBondContact O-CG 3.35Å; L984-Q988 PolarHBondContact O-N 3.5Å; Q986-Q988 VanDerWaalsContact C-N 3.3Å; Q986-Q988 PolarHBondContact O-N 3.1Å; Q988-G991 PolarHBondContact O-N 3.34Å; Q988-V992 HydrophobicContact CG-CG2 4.21Å
989	R	83.8	Confident	87.2	Confident	190 Å²	190	55.3 Å²	55.3	72%	0.717	28%	0.278	S	S	*	.	H	α-helix	trans	-69.3	-32.4	176.4	-74.9	178.8	-69.2	133.6	-1.9	113.7	A985 Q986	A985-R989 WeakPolarHBondContact O-CG 3.37Å; A985-R989 PolarHBondContact O-NE 3.07Å; Q986-R989 VanDerWaalsContact CA-NH2 3.34Å; Q986-R989 PolarHBondContact O-N 2.9Å; Q986-R989 VanDerWaalsContact O-N 3.09Å
990	E	82.3	Confident	87.1	Confident	99 Å²	99	57.9 Å²	57.9	46%	0.463	29%	0.292	S	S	.	.	H	α-helix	trans	-84.7	-15.8	177.3	-70.1	-175.5	-144.4	0	0	113.5	Q986 C987 V995	Q986-E990 HydrophobicContact CG-CG 4.48Å; Q986-E990 VanDerWaalsContact CG-OE1 3.23Å; Q986-E990 WeakPolarHBondContact CG-OE1 3.46Å; Q986-E990 PolarHBondContact NE2-OE1 3.46Å; Q986-E990 PolarHBondContact O-N 2.83Å; C987-E990 PolarHBondContact O-N 3.48Å; E990-V995 HydrophobicContact CB-CG2 3.73Å
991	G	85.5	Confident	87.2	Confident	28 Å²	28	59.9 Å²	59.9	29%	0.289	30%	0.297	S	S	.	.			trans	94.4	106.9	-177.5	0	0	0	0	0	112.2	C987 Q988 H993 K994 V995	C987-G991 CarbonylContact O-C 3.4Å; C987-G991 VanDerWaalsContact O-C 3.3Å; C987-G991 WeakPolarHBondContact O-CA 3.45Å; C987-G991 PolarHBondContact O-N 3.37Å; Q988-G991 PolarHBondContact O-N 3.34Å; G991-H993 VanDerWaalsContact C-N 3.35Å; G991-H993 PolarHBondContact O-N 3.3Å; G991-K994 WeakPolarHBondContact O-CA 3.3Å; G991-K994 WeakPolarHBondContact O-CB 3.33Å; G991-K994 PolarHBondContact O-N 3.33Å; G991-V995 PolarHBondContact O-N 3.15Å
992	V	89.7	Confident	87.4	Confident	4 Å²	4	58 Å²	58	2%	0.024	28%	0.278	C	S	.	.	H	α-helix	trans	-54.2	-45.9	-171.2	-175.6	0	0	0	0	112.7	V920 L928 C987 Q988 K994 V995 F996 I1242	V920-V992 HydrophobicContact CG1-CG1 4Å; V920-V992 HydrophobicContact CG2-CG1 4.04Å; L928-V992 HydrophobicContact CD1-CG1 3.96Å; C987-V992 PolarHBondContact O-N 3.27Å; Q988-V992 HydrophobicContact CG-CG2 4.21Å; V992-K994 VanDerWaalsContact C-N 3.29Å; V992-K994 PolarHBondContact O-N 2.89Å; V992-V995 PolarHBondContact O-N 2.87Å; V992-F996 HydrophobicContact CG1-CD2 3.77Å; V992-F996 HydrophobicContact CG1-CE2 4.23Å; V992-F996 PolarHBondContact O-N 3.11Å; V992-I1242 HydrophobicContact CB-CD1 4.38Å; V992-I1242 HydrophobicContact CG1-CD1 4.38Å; V992-I1242 HydrophobicContact CG2-CD1 3.95Å
993	H	90.2	Very high	87.5	Confident	11 Å²	11	52.2 Å²	52.2	5%	0.051	25%	0.252	C	S	.	.	H	α-helix	trans	-58.2	-37.8	176.5	-67.1	87.5	0	0	0	113.5	G918 G991 K997 L998 I1242 E1243 P1244	G918-H993 PolarHBondContact O-CD2 3.21Å; G991-H993 VanDerWaalsContact C-N 3.35Å; G991-H993 PolarHBondContact O-N 3.3Å; H993-K997 CarbonylContact O-C 3.47Å; H993-K997 PolarHBondContact O-N 3.23Å; H993-L998 HydrophobicContact CB-CB 4.46Å; H993-L998 PolarHBondContact O-N 3.21Å; H993-I1242 PolarHBondContact NE2-O 3.48Å; H993-E1243 PolarHBondContact CE1-O 3.19Å; H993-E1243 PolarHBondContact NE2-O 3.19Å; H993-E1243 VanDerWaalsContact NE2-O 3.15Å; H993-P1244 VanDerWaalsContact NE2-N 3.11Å
994	K	87.5	Confident	87.6	Confident	129 Å²	129	50.9 Å²	50.9	56%	0.561	25%	0.246	S	C	*	.	H	α-helix	trans	-73.7	-40	178.9	177.5	-173.6	169.8	-163.4	0	111.4	G991 V992	G991-K994 WeakPolarHBondContact O-CA 3.3Å; G991-K994 WeakPolarHBondContact O-CB 3.33Å; G991-K994 PolarHBondContact O-N 3.33Å; V992-K994 VanDerWaalsContact C-N 3.29Å; V992-K994 PolarHBondContact O-N 2.89Å
995	V	88.5	Confident	87.4	Confident	24 Å²	24	51.4 Å²	51.4	15%	0.145	25%	0.25	C	C	.	.	H	α-helix	trans	-65.9	-51.2	178.1	174.9	0	0	0	0	111	M950 L960 C987 E990 G991 V992 K997	M950-V995 WeakPolarHBondContact CE-O 3.47Å; L960-V995 HydrophobicContact CD2-CG1 3.67Å; C987-V995 HydrophobicContact CB-CG1 4.47Å; C987-V995 HydrophobicContact CB-CG2 4.48Å; E990-V995 HydrophobicContact CB-CG2 3.73Å; G991-V995 PolarHBondContact O-N 3.15Å; V992-V995 PolarHBondContact O-N 2.87Å; V995-K997 VanDerWaalsContact C-N 3.25Å; V995-K997 PolarHBondContact O-N 3.32Å
996	F	91.7	Very high	87.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	11.2	-177.7	-74.8	-79	0	0	0	114.5	L928 I930 Y942 L947 M950 I961 I977 M979 V992 L998	L928-F996 HydrophobicContact CD1-CD2 4.39Å; L928-F996 HydrophobicContact CD1-CE2 3.63Å; L928-F996 HydrophobicContact CD1-CZ 4.16Å; I930-F996 HydrophobicContact CD1-CB 4.38Å; I930-F996 HydrophobicContact CD1-CD1 4.25Å; I930-F996 HydrophobicContact CD1-CG 4.43Å; Y942-F996 WeakPolarHBondContact CE2-O 3.45Å; Y942-F996 PolarHBondContact OH-O 3.22Å; L947-F996 HydrophobicContact CD2-CD1 4.44Å; M950-F996 HydrophobicContact SD-CD1 3.93Å; M950-F996 HydrophobicContact SD-CE1 3.91Å; I961-F996 HydrophobicContact CG2-CE1 4.01Å; I961-F996 HydrophobicContact CG2-CZ 4.08Å; I977-F996 HydrophobicContact CD1-CD1 3.93Å; I977-F996 HydrophobicContact CD1-CE1 3.59Å; I977-F996 HydrophobicContact CD1-CZ 4.32Å; I977-F996 HydrophobicContact CG2-CE1 4.28Å; I977-F996 HydrophobicContact CG2-CZ 4.34Å; M979-F996 HydrophobicContact CE-CZ 4.24Å; M979-F996 HydrophobicContact SD-CE2 4.22Å; M979-F996 HydrophobicContact SD-CZ 3.78Å; V992-F996 HydrophobicContact CG1-CD2 3.77Å; V992-F996 HydrophobicContact CG1-CE2 4.23Å; V992-F996 PolarHBondContact O-N 3.11Å; F996-L998 HydrophobicContact CB-CD1 4.15Å; F996-L998 HydrophobicContact CB-CG 3.97Å; F996-L998 PolarHBondContact O-N 2.85Å; F996-L998 VanDerWaalsContact O-N 3.15Å
997	K	91.3	Very high	87.9	Confident	102 Å²	102	49.4 Å²	49.4	44%	0.443	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	24.7	-175.5	-47.3	-174.5	-163.3	168.7	0	114.7	N945 V946 H993 V995 Q999	N945-K997 PolarHBondContact O-NZ 3.46Å; V946-K997 HydrophobicContact CG1-CB 4.49Å; V946-K997 HydrophobicContact CG1-CD 4.08Å; V946-K997 HydrophobicContact CG1-CG 4.07Å; V946-K997 HydrophobicContact CG2-CD 3.78Å; H993-K997 CarbonylContact O-C 3.47Å; H993-K997 PolarHBondContact O-N 3.23Å; V995-K997 VanDerWaalsContact C-N 3.25Å; V995-K997 PolarHBondContact O-N 3.32Å; K997-Q999 PolarHBondContact O-N 3.22Å
998	L	92.7	Very high	88.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	23%	0.234	C	C	.	.			trans	-79.5	34.5	177.9	-56.8	175.6	0	0	0	112.7	F917 G918 V920 I930 L933 P934 Y942 H993 F996	F917-L998 WeakPolarHBondContact CA-O 3.43Å; G918-L998 PolarHBondContact N-O 3.08Å; V920-L998 HydrophobicContact CB-CD1 3.78Å; V920-L998 HydrophobicContact CG1-CD1 4.06Å; V920-L998 HydrophobicContact CG2-CD1 4.43Å; I930-L998 HydrophobicContact CD1-CD1 3.98Å; I930-L998 HydrophobicContact CD1-CD2 4.28Å; I930-L998 HydrophobicContact CD1-CG 4.48Å; I930-L998 HydrophobicContact CG1-CD1 4.01Å; I930-L998 HydrophobicContact CG2-CD1 3.95Å; I930-L998 HydrophobicContact CG2-CD2 3.76Å; L933-L998 HydrophobicContact CD2-CD2 3.65Å; P934-L998 VanDerWaalsContact CG-C 3.49Å; Y942-L998 HydrophobicContact CE2-CD2 4.11Å; H993-L998 HydrophobicContact CB-CB 4.46Å; H993-L998 PolarHBondContact O-N 3.21Å; F996-L998 HydrophobicContact CB-CD1 4.15Å; F996-L998 HydrophobicContact CB-CG 3.97Å; F996-L998 PolarHBondContact O-N 2.85Å; F996-L998 VanDerWaalsContact O-N 3.15Å
999	Q	89.3	Confident	88.8	Confident	54 Å²	54	45 Å²	45	25%	0.252	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	123.9	176.4	58.4	177.3	27.6	0	0	108.8	C916 F917 K997	C916-Q999 WeakPolarHBondContact O-CA 3.38Å; F917-Q999 HydrophobicContact CD1-CB 3.73Å; F917-Q999 HydrophobicContact CE1-CB 3.74Å; K997-Q999 PolarHBondContact O-N 3.22Å
1000	N	88.6	Confident	89.3	Confident	60 Å²	60	36.7 Å²	36.7	32%	0.321	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	168.7	175.3	-163.2	9.1	0	0	0	109.7	C916 P934 I935	C916-N1000 PolarHBondContact N-O 3.02Å; C916-N1000 PolarHBondContact O-N 3.08Å; P934-N1000 HydrophobicContact CB-CB 3.64Å; P934-N1000 HydrophobicContact CG-CB 4.38Å; I935-N1000 PolarHBondContact O-ND2 2.89Å
1001	F	89	Confident	89.7	Confident	91 Å²	91	33.3 Å²	33.3	40%	0.399	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	125.8	-178.6	-60.5	-75.6	0	0	0	112	L909 Y914 A915 L1250	L909-F1001 HydrophobicContact CD1-CD1 4.02Å; L909-F1001 HydrophobicContact CD1-CE1 3.76Å; Y914-F1001 WeakPolarHBondContact O-CA 3.33Å; A915-F1001 HydrophobicContact CB-CD1 4.33Å; A915-F1001 HydrophobicContact CB-CE1 4.23Å; F1001-L1250 HydrophobicContact CE1-CD2 4.03Å; F1001-L1250 HydrophobicContact CZ-CD2 3.67Å
1002	I	90.1	Very high	89.9	Confident	19 Å²	19	33.2 Å²	33.2	10%	0.097	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.9	170.3	-57.1	172.6	0	0	0	107.4	P872 P897 Y899 I906 Y914 C916	P872-I1002 HydrophobicContact CB-CG2 3.72Å; P872-I1002 HydrophobicContact CG-CG2 4.05Å; P897-I1002 HydrophobicContact CB-CD1 4.17Å; P897-I1002 HydrophobicContact CG-CG2 4.25Å; Y899-I1002 HydrophobicContact CE2-CD1 3.94Å; I906-I1002 HydrophobicContact CD1-CD1 4.09Å; Y914-I1002 PolarHBondContact N-O 2.9Å; Y914-I1002 PolarHBondContact O-N 3.16Å; C916-I1002 HydrophobicContact CB-CD1 4.11Å; C916-I1002 HydrophobicContact CB-CG1 4.27Å
1003	N	86.3	Confident	89.7	Confident	32 Å²	32	38.4 Å²	38.4	17%	0.171	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111.4	-173.4	179.2	40.3	0	0	0	110.2	Q912 S1005 Q1006	Q912-N1003 WeakPolarHBondContact O-CA 3.46Å; Q912-N1003 PolarHBondContact O-OD1 3.05Å; N1003-S1005 VanDerWaalsContact C-N 3.28Å; N1003-S1005 PolarHBondContact ND2-OG 3.18Å; N1003-S1005 PolarHBondContact O-N 3.23Å; N1003-S1005 WeakPolarHBondContact OD1-CB 3.36Å; N1003-S1005 PolarHBondContact OD1-N 2.81Å; N1003-S1005 PolarHBondContact OD1-OG 2.9Å; N1003-Q1006 PolarHBondContact ND2-OE1 2.76Å
1004	T	87	Confident	89.5	Confident	11 Å²	11	39.8 Å²	39.8	7%	0.067	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-86.1	6	179.7	53.3	0	0	0	0	113.1	P872 Q912 Y914 Q1006 M1007	P872-T1004 HydrophobicContact CG-CG2 3.87Å; Q912-T1004 WeakPolarHBondContact CA-OG1 3.34Å; Q912-T1004 PolarHBondContact O-N 3.03Å; Q912-T1004 PolarHBondContact O-OG1 2.99Å; Y914-T1004 HydrophobicContact CE2-CG2 4.24Å; T1004-Q1006 PolarHBondContact O-N 2.98Å; T1004-Q1006 VanDerWaalsContact O-N 3.14Å; T1004-M1007 HydrophobicContact CG2-SD 4.25Å; T1004-M1007 WeakPolarHBondContact O-CG 3.43Å
1005	S	83.4	Confident	89.7	Confident	16 Å²	16	34.3 Å²	34.3	11%	0.112	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-71.4	-7.5	-176.1	78.3	0	0	0	0	115.3	N1003 R1018	N1003-S1005 VanDerWaalsContact C-N 3.28Å; N1003-S1005 PolarHBondContact ND2-OG 3.18Å; N1003-S1005 PolarHBondContact O-N 3.23Å; N1003-S1005 WeakPolarHBondContact OD1-CB 3.36Å; N1003-S1005 PolarHBondContact OD1-N 2.81Å; N1003-S1005 PolarHBondContact OD1-OG 2.9Å; S1005-R1018 VanDerWaalsContact O-CZ 3.31Å; S1005-R1018 PolarHBondContact O-NE 2.87Å; S1005-R1018 PolarHBondContact O-NH2 2.84Å
1006	Q	85.4	Confident	89.8	Confident	68 Å²	68	33.9 Å²	33.9	32%	0.318	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-118.6	29.2	-175.1	-75	164.6	-87.6	0	0	112.4	S868 T869 K870 N1003 T1004 V1008	S868-Q1006 PolarHBondContact OG-NE2 3.08Å; T869-Q1006 CarbonylContact C-O 3.56Å; T869-Q1006 WeakPolarHBondContact CA-O 3.49Å; K870-Q1006 HydrophobicContact CB-CB 4.4Å; K870-Q1006 PolarHBondContact N-O 3.35Å; N1003-Q1006 PolarHBondContact ND2-OE1 2.76Å; T1004-Q1006 PolarHBondContact O-N 2.98Å; T1004-Q1006 VanDerWaalsContact O-N 3.14Å; Q1006-V1008 PolarHBondContact O-N 3.09Å
1007	M	92.7	Very high	89.8	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.198	C	C	.	.			trans	-74.7	96.9	170.4	-60.4	-176.7	-54.1	0	0	109.1	V871 T1004 R1018 F1019 S1021 I1025	V871-M1007 HydrophobicContact CB-CG 4.46Å; V871-M1007 HydrophobicContact CG1-SD 4.42Å; V871-M1007 HydrophobicContact CG2-CB 4.13Å; V871-M1007 HydrophobicContact CG2-CG 4.03Å; T1004-M1007 HydrophobicContact CG2-SD 4.25Å; T1004-M1007 WeakPolarHBondContact O-CG 3.43Å; M1007-R1018 WeakPolarHBondContact O-CA 3.37Å; M1007-F1019 HydrophobicContact CB-CB 4.48Å; M1007-F1019 PolarHBondContact O-N 2.93Å; M1007-S1021 VanDerWaalsContact CE-C 3.45Å; M1007-I1025 HydrophobicContact CB-CD1 4.09Å; M1007-I1025 HydrophobicContact CE-CD1 4.31Å; M1007-I1025 HydrophobicContact SD-CD1 3.98Å
1008	V	93.8	Very high	89.8	Confident	5 Å²	5	40.5 Å²	40.5	3%	0.03	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.9	179.5	-179.5	0	0	0	0	107.9	I722 W867 T869 Q1006 L1016 R1017 R1018	I722-V1008 HydrophobicContact CD1-CG1 4.47Å; I722-V1008 VanDerWaalsContact CG2-O 3.3Å; I722-V1008 WeakPolarHBondContact CG2-O 3.48Å; W867-V1008 HydrophobicContact CD2-CG1 4.43Å; W867-V1008 HydrophobicContact CE3-CG1 3.78Å; W867-V1008 HydrophobicContact CE3-CG2 4.17Å; W867-V1008 HydrophobicContact CZ3-CG1 4.23Å; W867-V1008 HydrophobicContact CZ3-CG2 4.4Å; T869-V1008 WeakPolarHBondContact CB-O 3.17Å; T869-V1008 PolarHBondContact OG1-N 3.35Å; T869-V1008 PolarHBondContact OG1-O 3.43Å; Q1006-V1008 PolarHBondContact O-N 3.09Å; V1008-L1016 HydrophobicContact CG1-CD2 4.26Å; V1008-R1017 WeakPolarHBondContact CA-O 3.47Å; V1008-R1018 HydrophobicContact CG2-CB 4.11Å; V1008-R1018 HydrophobicContact CG2-CG 4.11Å
1009	L	95.4	Very high	89.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155.9	-176.6	-60.3	170.8	0	0	0	109.2	P723 L725 V855 V871 R1017 F1019 I1025	P723-L1009 HydrophobicContact CG-CD2 3.82Å; L725-L1009 HydrophobicContact CB-CB 4.42Å; L725-L1009 HydrophobicContact CD1-CD1 4.05Å; V855-L1009 HydrophobicContact CB-CD1 4.48Å; V855-L1009 HydrophobicContact CG1-CD1 3.97Å; V855-L1009 HydrophobicContact CG2-CD1 3.82Å; V855-L1009 HydrophobicContact CG2-CD2 3.64Å; V855-L1009 HydrophobicContact CG2-CG 4.4Å; V871-L1009 HydrophobicContact CG2-CD2 4.27Å; L1009-R1017 PolarHBondContact N-O 2.89Å; L1009-R1017 PolarHBondContact O-N 3.41Å; L1009-F1019 HydrophobicContact CB-CD2 4.47Å; L1009-F1019 HydrophobicContact CB-CE2 3.97Å; L1009-I1025 HydrophobicContact CD1-CD1 4.17Å; L1009-I1025 HydrophobicContact CD1-CG1 4.44Å; L1009-I1025 HydrophobicContact CD1-CG2 4.43Å
1010	F	93.9	Very high	89.6	Confident	16 Å²	16	39.7 Å²	39.7	7%	0.07	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.8	162.8	-71.9	-86.2	0	0	0	109.2	M676 N718 E719 I722 P723 L725 G1014 C1015 L1016	M676-F1010 HydrophobicContact CE-CE1 4.3Å; N718-F1010 HydrophobicContact CB-CE2 4.34Å; N718-F1010 HydrophobicContact CB-CZ 3.85Å; N718-F1010 WeakPolarHBondContact O-CE2 3.47Å; E719-F1010 HydrophobicContact CB-CE2 4.42Å; E719-F1010 HydrophobicContact CB-CZ 4.25Å; E719-F1010 HydrophobicContact CG-CE1 4.04Å; E719-F1010 HydrophobicContact CG-CE2 4.21Å; E719-F1010 HydrophobicContact CG-CZ 3.62Å; I722-F1010 HydrophobicContact CB-CD2 4.31Å; I722-F1010 HydrophobicContact CB-CE2 4Å; I722-F1010 HydrophobicContact CG2-CD2 4.16Å; I722-F1010 HydrophobicContact CG2-CE2 4.3Å; I722-F1010 WeakPolarHBondContact O-CD2 3.31Å; I722-F1010 WeakPolarHBondContact O-CE2 3.37Å; P723-F1010 PolarHBondContact O-N 2.97Å; L725-F1010 WeakPolarHBondContact CB-O 3.19Å; L725-F1010 PolarHBondContact N-O 3.3Å; F1010-G1014 WeakPolarHBondContact CD1-O 3.24Å; F1010-C1015 WeakPolarHBondContact CA-O 3.37Å; F1010-L1016 HydrophobicContact CD1-CD2 3.8Å; F1010-L1016 HydrophobicContact CD1-CG 4.08Å; F1010-L1016 HydrophobicContact CD2-CD2 3.64Å; F1010-L1016 HydrophobicContact CE1-CD2 3.71Å; F1010-L1016 HydrophobicContact CE1-CG 3.72Å; F1010-L1016 HydrophobicContact CE2-CD2 3.52Å; F1010-L1016 HydrophobicContact CE2-CG 4.32Å; F1010-L1016 HydrophobicContact CG-CD2 3.78Å; F1010-L1016 HydrophobicContact CZ-CD1 4.49Å; F1010-L1016 HydrophobicContact CZ-CD2 3.57Å; F1010-L1016 HydrophobicContact CZ-CG 3.85Å
1011	D	91.7	Very high	89.7	Confident	28 Å²	28	38.9 Å²	38.9	15%	0.15	21%	0.207	C	C	.	.			trans	-71.4	174.6	166.1	65.3	27.2	0	0	0	111.5	E1013 G1014 C1015	D1011-E1013 PolarHBondContact O-N 2.9Å; D1011-E1013 WeakPolarHBondContact OD1-CA 3.47Å; D1011-E1013 PolarHBondContact OD1-N 2.88Å; D1011-G1014 PolarHBondContact O-N 3.43Å; D1011-G1014 PolarHBondContact OD1-N 3.34Å; D1011-C1015 PolarHBondContact N-O 3.06Å; D1011-C1015 PolarHBondContact OD1-N 3.49Å
1012	A	88.9	Confident	89.9	Confident	27 Å²	27	34.9 Å²	34.9	22%	0.223	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	2.2	-179.1	0	0	0	0	0	114.1	V726 V1032	V726-A1012 HydrophobicContact CG2-CB 3.77Å; A1012-V1032 HydrophobicContact CB-CG1 4.32Å; A1012-V1032 HydrophobicContact CB-CG2 3.79Å
1013	E	86.4	Confident	90	Very high	113 Å²	113	35.8 Å²	35.8	53%	0.528	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	8	-179.1	-56.7	179	98.8	0	0	111.9	R680 D1011	R680-E1013 IonicContact CZ-OE1 2.69Å; R680-E1013 VanDerWaalsContact CZ-OE1 3.29Å; R680-E1013 IonicContact CZ-OE2 3.69Å; R680-E1013 IonicContact NE-OE1 3.34Å; R680-E1013 VanDerWaalsContact NH1-CD 3.33Å; R680-E1013 IonicContact NH1-OE1 3.39Å; R680-E1013 IonicContact NH1-OE2 3.83Å; R680-E1013 PolarHBondContact NH1-OE2 3.29Å; R680-E1013 IonicContact NH2-OE1 3.03Å; R680-E1013 PolarHBondContact NH2-OE1 3.14Å; R680-E1013 IonicContact NH2-OE2 2.72Å; R680-E1013 PolarHBondContact NH2-OE2 3.32Å; D1011-E1013 PolarHBondContact O-N 2.9Å; D1011-E1013 WeakPolarHBondContact OD1-CA 3.47Å; D1011-E1013 PolarHBondContact OD1-N 2.88Å
1014	G	86.9	Confident	90.3	Very high	39 Å²	39	37.1 Å²	37.1	40%	0.402	20%	0.199	S	C	.	.	S	Bend	trans	85	10.5	175.3	0	0	0	0	0	115.5	F1010 D1011	F1010-G1014 WeakPolarHBondContact CD1-O 3.24Å; D1011-G1014 PolarHBondContact O-N 3.43Å; D1011-G1014 PolarHBondContact OD1-N 3.34Å
1015	C	90.8	Very high	90.7	Very high	14 Å²	14	36.6 Å²	36.6	10%	0.095	20%	0.196	C	C	.	.			trans	-96.4	135.2	176.9	-71.8	0	0	0	0	111.6	F1010 D1011 R1017	F1010-C1015 WeakPolarHBondContact CA-O 3.37Å; D1011-C1015 PolarHBondContact N-O 3.06Å; D1011-C1015 PolarHBondContact OD1-N 3.49Å; C1015-R1017 PolarHBondContact O-N 3.38Å
1016	L	91.5	Very high	91.2	Very high	16 Å²	16	35.8 Å²	35.8	8%	0.084	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	122.6	169.7	-78.4	-174.8	0	0	0	111.3	M676 N718 I722 W867 V1008 F1010	M676-L1016 HydrophobicContact CE-CB 4.36Å; M676-L1016 HydrophobicContact CE-CD1 3.78Å; M676-L1016 HydrophobicContact CE-CG 3.82Å; M676-L1016 HydrophobicContact SD-CB 3.97Å; M676-L1016 HydrophobicContact SD-CD1 4.46Å; M676-L1016 HydrophobicContact SD-CG 4.04Å; N718-L1016 HydrophobicContact CB-CD1 4.03Å; I722-L1016 HydrophobicContact CB-CD2 4.37Å; I722-L1016 HydrophobicContact CD1-CD1 4.2Å; I722-L1016 HydrophobicContact CD1-CD2 4.04Å; I722-L1016 HydrophobicContact CG2-CD2 3.91Å; W867-L1016 HydrophobicContact CB-CD1 4.13Å; W867-L1016 HydrophobicContact CD2-CD1 3.95Å; W867-L1016 HydrophobicContact CG-CD1 3.59Å; V1008-L1016 HydrophobicContact CG1-CD2 4.26Å; F1010-L1016 HydrophobicContact CD1-CD2 3.8Å; F1010-L1016 HydrophobicContact CD1-CG 4.08Å; F1010-L1016 HydrophobicContact CD2-CD2 3.64Å; F1010-L1016 HydrophobicContact CE1-CD2 3.71Å; F1010-L1016 HydrophobicContact CE1-CG 3.72Å; F1010-L1016 HydrophobicContact CE2-CD2 3.52Å; F1010-L1016 HydrophobicContact CE2-CG 4.32Å; F1010-L1016 HydrophobicContact CG-CD2 3.78Å; F1010-L1016 HydrophobicContact CZ-CD1 4.49Å; F1010-L1016 HydrophobicContact CZ-CD2 3.57Å; F1010-L1016 HydrophobicContact CZ-CG 3.85Å
1017	R	90.2	Very high	91.7	Very high	103 Å²	103	39.2 Å²	39.2	39%	0.389	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139	175.3	178.8	171.1	172.5	169.6	-5.3	111.1	V1008 L1009 C1015 F1019 E1024	V1008-R1017 WeakPolarHBondContact CA-O 3.47Å; L1009-R1017 PolarHBondContact N-O 2.89Å; L1009-R1017 PolarHBondContact O-N 3.41Å; C1015-R1017 PolarHBondContact O-N 3.38Å; R1017-F1019 HydrophobicContact CB-CE2 3.8Å; R1017-F1019 HydrophobicContact CB-CZ 4.02Å; R1017-F1019 HydrophobicContact CG-CD2 4.31Å; R1017-F1019 HydrophobicContact CG-CE1 4.33Å; R1017-F1019 HydrophobicContact CG-CE2 3.84Å; R1017-F1019 HydrophobicContact CG-CZ 3.86Å; R1017-F1019 WeakPolarHBondContact O-CD2 3.34Å; R1017-F1019 WeakPolarHBondContact O-CE2 3.44Å; R1017-E1024 IonicContact CZ-OE1 2.84Å; R1017-E1024 IonicContact NE-OE1 3.78Å; R1017-E1024 IonicContact NH2-OE1 3.69Å; R1017-E1024 PolarHBondContact NH2-OE1 2.73Å
1018	R	91.2	Very high	91.7	Very high	137 Å²	137	40.6 Å²	40.6	52%	0.517	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.4	168.3	-176.7	177.7	177	-132.4	-3.4	109.7	S1005 M1007 V1008	S1005-R1018 VanDerWaalsContact O-CZ 3.31Å; S1005-R1018 PolarHBondContact O-NE 2.87Å; S1005-R1018 PolarHBondContact O-NH2 2.84Å; M1007-R1018 WeakPolarHBondContact O-CA 3.37Å; V1008-R1018 HydrophobicContact CG2-CB 4.11Å; V1008-R1018 HydrophobicContact CG2-CG 4.11Å
1019	F	91.5	Very high	91.8	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	21%	0.208	C	C	.	.			trans	-101.7	142.3	179.7	-62.8	-97.5	0	0	0	110.2	L725 M1007 L1009 R1017 E1024 I1025 C1028	L725-F1019 HydrophobicContact CD1-CE1 4.31Å; L725-F1019 HydrophobicContact CD1-CZ 4.06Å; L725-F1019 HydrophobicContact CD2-CE1 4.47Å; L725-F1019 HydrophobicContact CD2-CZ 4.1Å; M1007-F1019 HydrophobicContact CB-CB 4.48Å; M1007-F1019 PolarHBondContact O-N 2.93Å; L1009-F1019 HydrophobicContact CB-CD2 4.47Å; L1009-F1019 HydrophobicContact CB-CE2 3.97Å; R1017-F1019 HydrophobicContact CB-CE2 3.8Å; R1017-F1019 HydrophobicContact CB-CZ 4.02Å; R1017-F1019 HydrophobicContact CG-CD2 4.31Å; R1017-F1019 HydrophobicContact CG-CE1 4.33Å; R1017-F1019 HydrophobicContact CG-CE2 3.84Å; R1017-F1019 HydrophobicContact CG-CZ 3.86Å; R1017-F1019 WeakPolarHBondContact O-CD2 3.34Å; R1017-F1019 WeakPolarHBondContact O-CE2 3.44Å; F1019-E1024 HydrophobicContact CD1-CB 4.32Å; F1019-E1024 HydrophobicContact CD1-CG 3.94Å; F1019-I1025 HydrophobicContact CB-CD1 4.02Å; F1019-I1025 HydrophobicContact CB-CG1 3.62Å; F1019-I1025 HydrophobicContact CD1-CG1 3.71Å; F1019-I1025 HydrophobicContact CD2-CG1 4.16Å; F1019-I1025 HydrophobicContact CE1-CG1 4.45Å; F1019-I1025 HydrophobicContact CG-CD1 4.28Å; F1019-I1025 HydrophobicContact CG-CG1 3.55Å; F1019-C1028 HydrophobicContact CE1-CB 4.29Å
1020	G	86.8	Confident	91.8	Very high	36 Å²	36	41.2 Å²	41.2	37%	0.371	21%	0.212	S	C	.	.	S	Bend	trans	-81.6	-35.5	-177.4	0	0	0	0	0	113.8	Q912 E1024	Q912-G1020 PolarHBondContact NE2-O 2.8Å; G1020-E1024 PolarHBondContact N-OE2 3.3Å
1021	S	91	Very high	91.9	Very high	44 Å²	44	44.7 Å²	44.7	31%	0.308	23%	0.231	S	C	.	.	S	Bend	trans	-147.8	169.8	-179	87.8	0	0	0	0	112.1	M1007 E1023 E1024	M1007-S1021 VanDerWaalsContact CE-C 3.45Å; S1021-E1023 VanDerWaalsContact C-N 3.31Å; S1021-E1023 WeakPolarHBondContact CB-OE2 3.33Å; S1021-E1023 PolarHBondContact OG-N 3.43Å; S1021-E1023 PolarHBondContact OG-OE2 2.84Å; S1021-E1024 PolarHBondContact O-N 2.97Å
1022	A	92.3	Very high	92	Very high	6 Å²	6	44.8 Å²	44.8	5%	0.05	23%	0.233	C	C	.	.	H	α-helix	trans	-72.5	-26.2	179.4	0	0	0	0	0	112.5	L856 F874 M895 E1024 I1025 L1026	L856-A1022 HydrophobicContact CD1-CB 4.39Å; L856-A1022 HydrophobicContact CD2-CB 4.02Å; F874-A1022 HydrophobicContact CE1-CB 4.02Å; F874-A1022 HydrophobicContact CE2-CB 3.86Å; F874-A1022 HydrophobicContact CZ-CB 3.53Å; M895-A1022 HydrophobicContact CE-CB 4.05Å; A1022-E1024 VanDerWaalsContact C-N 3.33Å; A1022-I1025 WeakPolarHBondContact O-CB 3.45Å; A1022-I1025 PolarHBondContact O-N 2.76Å; A1022-L1026 WeakPolarHBondContact O-CB 3.38Å; A1022-L1026 PolarHBondContact O-N 2.83Å
1023	E	92.8	Very high	92.3	Very high	39 Å²	39	43.5 Å²	43.5	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-69.6	-29.7	175.4	-56.9	74.9	-163.7	0	0	111.8	M892 P894 M895 S1021 R1027	M892-E1023 HydrophobicContact CE-CB 3.86Å; M892-E1023 HydrophobicContact SD-CB 4.22Å; P894-E1023 WeakPolarHBondContact CA-OE1 3.34Å; M895-E1023 PolarHBondContact N-OE1 3.35Å; S1021-E1023 VanDerWaalsContact C-N 3.31Å; S1021-E1023 WeakPolarHBondContact CB-OE2 3.33Å; S1021-E1023 PolarHBondContact OG-N 3.43Å; S1021-E1023 PolarHBondContact OG-OE2 2.84Å; E1023-R1027 VanDerWaalsContact O-CB 3.31Å; E1023-R1027 WeakPolarHBondContact O-CB 3.41Å; E1023-R1027 PolarHBondContact O-N 2.9Å
1024	E	93	Very high	92.7	Very high	59 Å²	59	40 Å²	40	28%	0.276	21%	0.206	S	C	.	.	H	α-helix	trans	-68.3	-44.3	171.7	-165.9	-171.2	168.9	0	0	111.2	R1017 F1019 G1020 S1021 A1022 R1027 C1028	R1017-E1024 IonicContact CZ-OE1 2.84Å; R1017-E1024 IonicContact NE-OE1 3.78Å; R1017-E1024 IonicContact NH2-OE1 3.69Å; R1017-E1024 PolarHBondContact NH2-OE1 2.73Å; F1019-E1024 HydrophobicContact CD1-CB 4.32Å; F1019-E1024 HydrophobicContact CD1-CG 3.94Å; G1020-E1024 PolarHBondContact N-OE2 3.3Å; S1021-E1024 PolarHBondContact O-N 2.97Å; A1022-E1024 VanDerWaalsContact C-N 3.33Å; E1024-R1027 PolarHBondContact O-N 3.31Å; E1024-C1028 PolarHBondContact O-N 3.25Å
1025	I	94.8	Very high	93	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-58.8	-50.1	174	-67.9	171.7	0	0	0	110	L725 V855 L856 M1007 L1009 F1019 A1022 R1027 C1028 F1029	L725-I1025 HydrophobicContact CD1-CB 4.34Å; L725-I1025 HydrophobicContact CD1-CG2 3.7Å; V855-I1025 HydrophobicContact CG1-CG2 3.89Å; L856-I1025 HydrophobicContact CD1-CB 4.26Å; L856-I1025 HydrophobicContact CD1-CG2 3.82Å; L856-I1025 HydrophobicContact CD2-CB 4.3Å; L856-I1025 HydrophobicContact CD2-CD1 4.04Å; L856-I1025 HydrophobicContact CD2-CG2 3.89Å; L856-I1025 HydrophobicContact CG-CG2 3.77Å; M1007-I1025 HydrophobicContact CB-CD1 4.09Å; M1007-I1025 HydrophobicContact CE-CD1 4.31Å; M1007-I1025 HydrophobicContact SD-CD1 3.98Å; L1009-I1025 HydrophobicContact CD1-CD1 4.17Å; L1009-I1025 HydrophobicContact CD1-CG1 4.44Å; L1009-I1025 HydrophobicContact CD1-CG2 4.43Å; F1019-I1025 HydrophobicContact CB-CD1 4.02Å; F1019-I1025 HydrophobicContact CB-CG1 3.62Å; F1019-I1025 HydrophobicContact CD1-CG1 3.71Å; F1019-I1025 HydrophobicContact CD2-CG1 4.16Å; F1019-I1025 HydrophobicContact CE1-CG1 4.45Å; F1019-I1025 HydrophobicContact CG-CD1 4.28Å; F1019-I1025 HydrophobicContact CG-CG1 3.55Å; A1022-I1025 WeakPolarHBondContact O-CB 3.45Å; A1022-I1025 PolarHBondContact O-N 2.76Å; I1025-R1027 VanDerWaalsContact C-N 3.31Å; I1025-R1027 PolarHBondContact O-N 3.16Å; I1025-C1028 PolarHBondContact O-N 3.28Å; I1025-F1029 WeakPolarHBondContact O-CB 3.41Å; I1025-F1029 PolarHBondContact O-N 3.43Å
1026	L	95.2	Very high	93.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60	-39.5	179.1	-176.1	62	0	0	0	112.2	P853 L856 L879 N882 L883 L886 M892 M895 A1022 Y1030	P853-L1026 HydrophobicContact CG-CD1 3.61Å; L856-L1026 HydrophobicContact CD1-CB 4.25Å; L879-L1026 HydrophobicContact CD2-CD1 4.14Å; L879-L1026 HydrophobicContact CD2-CD2 4.49Å; N882-L1026 HydrophobicContact CB-CD2 3.56Å; L883-L1026 HydrophobicContact CD1-CD1 4.48Å; L883-L1026 HydrophobicContact CD2-CD1 3.67Å; L883-L1026 HydrophobicContact CD2-CG 4.37Å; L883-L1026 HydrophobicContact CG-CD1 3.91Å; L886-L1026 HydrophobicContact CD1-CG 4.26Å; M892-L1026 HydrophobicContact SD-CD2 3.87Å; M892-L1026 HydrophobicContact SD-CG 4.35Å; M895-L1026 HydrophobicContact CE-CB 4.37Å; M895-L1026 HydrophobicContact CE-CD2 3.85Å; M895-L1026 HydrophobicContact SD-CD2 4.34Å; A1022-L1026 WeakPolarHBondContact O-CB 3.38Å; A1022-L1026 PolarHBondContact O-N 2.83Å; L1026-Y1030 WeakPolarHBondContact O-CB 3.47Å; L1026-Y1030 PolarHBondContact O-N 2.84Å
1027	R	94.2	Very high	93.3	Very high	140 Å²	140	40.1 Å²	40.1	53%	0.528	20%	0.202	S	C	.	.	H	α-helix	trans	-68.9	-47.3	178.3	-169	-180	-170.1	104.6	10.8	112.4	E1023 E1024 I1025 F1029 Y1030 D1031	E1023-R1027 VanDerWaalsContact O-CB 3.31Å; E1023-R1027 WeakPolarHBondContact O-CB 3.41Å; E1023-R1027 PolarHBondContact O-N 2.9Å; E1024-R1027 PolarHBondContact O-N 3.31Å; I1025-R1027 VanDerWaalsContact C-N 3.31Å; I1025-R1027 PolarHBondContact O-N 3.16Å; R1027-F1029 VanDerWaalsContact C-N 3.31Å; R1027-F1029 PolarHBondContact O-N 3.04Å; R1027-Y1030 WeakPolarHBondContact O-CB 3.35Å; R1027-Y1030 PolarHBondContact O-N 3.43Å; R1027-Y1030 VanDerWaalsContact O-N 3.08Å; R1027-D1031 PolarHBondContact O-N 2.83Å; R1027-D1031 VanDerWaalsContact O-N 3.13Å
1028	C	93.9	Very high	93.5	Very high	29 Å²	29	38.7 Å²	38.7	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-34.8	177.8	-69.2	0	0	0	0	112	L725 F1019 E1024 I1025 V1032	L725-C1028 HydrophobicContact CD2-CB 3.75Å; F1019-C1028 HydrophobicContact CE1-CB 4.29Å; E1024-C1028 PolarHBondContact O-N 3.25Å; I1025-C1028 PolarHBondContact O-N 3.28Å; C1028-V1032 WeakPolarHBondContact O-CG2 3.27Å; C1028-V1032 PolarHBondContact O-N 2.92Å
1029	F	95.9	Very high	93.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-42.5	168.2	172.4	-92.2	0	0	0	112	V726 P850 P853 I1025 R1027 D1031 V1032 R1033 W1178	V726-F1029 WeakPolarHBondContact O-CE2 3.13Å; P850-F1029 HydrophobicContact CG-CE2 4.05Å; P850-F1029 HydrophobicContact CG-CZ 4.41Å; P850-F1029 WeakPolarHBondContact O-CZ 3.32Å; P853-F1029 HydrophobicContact CB-CB 4.1Å; P853-F1029 HydrophobicContact CB-CD1 4.01Å; P853-F1029 HydrophobicContact CB-CD2 3.87Å; P853-F1029 HydrophobicContact CB-CE1 4.44Å; P853-F1029 HydrophobicContact CB-CE2 4.31Å; P853-F1029 HydrophobicContact CB-CG 3.71Å; P853-F1029 HydrophobicContact CG-CD1 4.08Å; P853-F1029 HydrophobicContact CG-CE1 4.45Å; P853-F1029 HydrophobicContact CG-CG 4.26Å; I1025-F1029 WeakPolarHBondContact O-CB 3.41Å; I1025-F1029 PolarHBondContact O-N 3.43Å; R1027-F1029 VanDerWaalsContact C-N 3.31Å; R1027-F1029 PolarHBondContact O-N 3.04Å; F1029-D1031 PolarHBondContact O-N 2.96Å; F1029-V1032 PolarHBondContact O-N 3.28Å; F1029-R1033 HydrophobicContact CD1-CB 4.42Å; F1029-R1033 HydrophobicContact CE1-CB 3.94Å; F1029-R1033 HydrophobicContact CE1-CG 4.24Å; F1029-R1033 HydrophobicContact CZ-CB 4.01Å; F1029-R1033 HydrophobicContact CZ-CG 4.19Å; F1029-R1033 WeakPolarHBondContact O-CB 3.25Å; F1029-R1033 PolarHBondContact O-N 3.04Å; F1029-W1178 HydrophobicContact CE1-CZ2 4.15Å
1030	Y	95.7	Very high	93.7	Very high	18 Å²	18	38.5 Å²	38.5	7%	0.071	20%	0.201	C	C	.	.	H	α-helix	trans	-60.1	-44.9	-178.8	169.3	-86.7	0	0	0	112.7	L883 L886 I887 L1026 R1027 V1032 R1033 L1034 K1175 W1178	L883-Y1030 HydrophobicContact CD2-CD2 4.16Å; L886-Y1030 HydrophobicContact CB-CD2 3.66Å; L886-Y1030 HydrophobicContact CB-CE2 3.61Å; L886-Y1030 HydrophobicContact CB-CG 4.22Å; L886-Y1030 HydrophobicContact CD1-CD2 3.99Å; L886-Y1030 HydrophobicContact CD1-CG 3.95Å; L886-Y1030 HydrophobicContact CG-CD2 4.47Å; L886-Y1030 PolarHBondContact O-OH 3.44Å; I887-Y1030 HydrophobicContact CG1-CE2 3.96Å; L1026-Y1030 WeakPolarHBondContact O-CB 3.47Å; L1026-Y1030 PolarHBondContact O-N 2.84Å; R1027-Y1030 WeakPolarHBondContact O-CB 3.35Å; R1027-Y1030 PolarHBondContact O-N 3.43Å; R1027-Y1030 VanDerWaalsContact O-N 3.08Å; Y1030-V1032 VanDerWaalsContact C-N 3.32Å; Y1030-V1032 PolarHBondContact O-N 2.8Å; Y1030-R1033 PolarHBondContact O-N 3.4Å; Y1030-L1034 HydrophobicContact CE1-CD2 4.11Å; Y1030-L1034 VanDerWaalsContact O-CB 3.29Å; Y1030-L1034 WeakPolarHBondContact O-CB 3.36Å; Y1030-L1034 PolarHBondContact O-N 3.09Å; Y1030-K1175 WeakPolarHBondContact OH-CE 3.48Å; Y1030-W1178 AromaticContact CD2-CH2 3.38Å; Y1030-W1178 HydrophobicContact CD2-CH2 3.38Å; Y1030-W1178 AromaticContact CD2-CZ3 3.4Å; Y1030-W1178 HydrophobicContact CD2-CZ3 3.4Å; Y1030-W1178 HydrophobicContact CE2-CE3 4.39Å; Y1030-W1178 HydrophobicContact CE2-CH2 4.02Å; Y1030-W1178 AromaticContact CE2-CZ3 3.53Å; Y1030-W1178 HydrophobicContact CE2-CZ3 3.53Å; Y1030-W1178 HydrophobicContact CG-CH2 4.09Å; Y1030-W1178 HydrophobicContact CG-CZ3 4.25Å
1031	D	94.5	Very high	94	Very high	90 Å²	90	37.9 Å²	37.9	48%	0.481	19%	0.189	S	C	.	.	H	α-helix	trans	-62	-40.2	178.7	-64.1	-35.9	0	0	0	111.5	R1027 F1029 S1035	R1027-D1031 PolarHBondContact O-N 2.83Å; R1027-D1031 VanDerWaalsContact O-N 3.13Å; F1029-D1031 PolarHBondContact O-N 2.96Å; D1031-S1035 PolarHBondContact O-N 2.9Å
1032	V	93.8	Very high	94	Very high	30 Å²	30	40.9 Å²	40.9	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-68.5	-48.4	175.8	175.6	0	0	0	0	111.5	V726 W847 A1012 C1028 F1029 Y1030 L1034 S1035 M1036	V726-V1032 HydrophobicContact CG1-CG1 3.98Å; V726-V1032 HydrophobicContact CG2-CG1 4.13Å; W847-V1032 HydrophobicContact CH2-CG1 4.15Å; W847-V1032 HydrophobicContact CZ3-CG1 4.35Å; A1012-V1032 HydrophobicContact CB-CG1 4.32Å; A1012-V1032 HydrophobicContact CB-CG2 3.79Å; C1028-V1032 WeakPolarHBondContact O-CG2 3.27Å; C1028-V1032 PolarHBondContact O-N 2.92Å; F1029-V1032 PolarHBondContact O-N 3.28Å; Y1030-V1032 VanDerWaalsContact C-N 3.32Å; Y1030-V1032 PolarHBondContact O-N 2.8Å; V1032-L1034 PolarHBondContact O-N 3.34Å; V1032-S1035 WeakPolarHBondContact O-CB 3.15Å; V1032-S1035 PolarHBondContact O-N 3.39Å; V1032-M1036 WeakPolarHBondContact O-CG 3.15Å; V1032-M1036 PolarHBondContact O-N 2.77Å
1033	R	96	Very high	93.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.9	-38.4	-177.7	-179.3	56.9	-175.5	-179	8.6	111.7	D829 C849 P850 F1029 Y1030 M1036 Y1037 W1178 D1181	D829-R1033 IonicContact OD1-NH1 3.88Å; D829-R1033 IonicContact OD1-NH2 2.67Å; D829-R1033 PolarHBondContact OD1-NH2 3.45Å; D829-R1033 IonicContact OD2-CZ 3.53Å; D829-R1033 IonicContact OD2-NH1 2.63Å; D829-R1033 PolarHBondContact OD2-NH1 2.65Å; D829-R1033 IonicContact OD2-NH2 2.73Å; D829-R1033 PolarHBondContact OD2-NH2 2.6Å; C849-R1033 PolarHBondContact O-NH1 2.96Å; C849-R1033 WeakPolarHBondContact SG-CD 3.35Å; C849-R1033 PolarHBondContact SG-NH1 2.86Å; C849-R1033 VanDerWaalsContact SG-NH1 3.44Å; P850-R1033 VanDerWaalsContact O-CD 3.26Å; P850-R1033 WeakPolarHBondContact O-CD 3.44Å; P850-R1033 PolarHBondContact O-NE 3.02Å; F1029-R1033 HydrophobicContact CD1-CB 4.42Å; F1029-R1033 HydrophobicContact CE1-CB 3.94Å; F1029-R1033 HydrophobicContact CE1-CG 4.24Å; F1029-R1033 HydrophobicContact CZ-CB 4.01Å; F1029-R1033 HydrophobicContact CZ-CG 4.19Å; F1029-R1033 WeakPolarHBondContact O-CB 3.25Å; F1029-R1033 PolarHBondContact O-N 3.04Å; Y1030-R1033 PolarHBondContact O-N 3.4Å; R1033-M1036 PolarHBondContact O-N 2.95Å; R1033-Y1037 HydrophobicContact CG-CD2 3.98Å; R1033-Y1037 HydrophobicContact CG-CE2 3.67Å; R1033-Y1037 PolarHBondContact NE-OH 3.12Å; R1033-Y1037 PolarHBondContact NH2-OH 3.43Å; R1033-Y1037 VanDerWaalsContact O-CD2 3.29Å; R1033-Y1037 WeakPolarHBondContact O-CD2 3.28Å; R1033-Y1037 PolarHBondContact O-N 2.87Å; R1033-W1178 HydrophobicContact CB-CH2 3.77Å; R1033-W1178 HydrophobicContact CB-CZ2 3.92Å; R1033-W1178 HydrophobicContact CB-CZ3 4.4Å; R1033-W1178 HydrophobicContact CG-CD2 4.33Å; R1033-W1178 HydrophobicContact CG-CH2 3.73Å; R1033-W1178 HydrophobicContact CG-CZ2 3.45Å; R1033-W1178 VanDerWaalsContact CG-CZ2 3.45Å; R1033-W1178 HydrophobicContact CG-CZ3 4.26Å; R1033-D1181 IonicContact NH2-OD2 3.58Å
1034	L	94.6	Very high	93.8	Very high	38 Å²	38	43.2 Å²	43.2	20%	0.199	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-41.2	173.7	-175.1	60.7	0	0	0	111.5	Y1030 V1032 M1036 Y1037 N1038 P1174 K1175 W1178	Y1030-L1034 HydrophobicContact CE1-CD2 4.11Å; Y1030-L1034 VanDerWaalsContact O-CB 3.29Å; Y1030-L1034 WeakPolarHBondContact O-CB 3.36Å; Y1030-L1034 PolarHBondContact O-N 3.09Å; V1032-L1034 PolarHBondContact O-N 3.34Å; L1034-M1036 VanDerWaalsContact C-N 3.31Å; L1034-M1036 PolarHBondContact O-N 3.38Å; L1034-Y1037 PolarHBondContact O-N 3.23Å; L1034-N1038 PolarHBondContact O-N 3.13Å; L1034-N1038 VanDerWaalsContact O-N 3.16Å; L1034-N1038 PolarHBondContact O-ND2 3.42Å; L1034-P1174 HydrophobicContact CD1-CB 4.47Å; L1034-K1175 HydrophobicContact CD1-CG 4.28Å; L1034-W1178 HydrophobicContact CB-CZ3 4.2Å
1035	S	94.3	Very high	93.8	Very high	66 Å²	66	42.4 Å²	42.4	46%	0.462	21%	0.206	S	C	.	.	H	α-helix	trans	-58.6	-42.6	172.6	-172.4	0	0	0	0	111.8	D1031 V1032 N1038 R1039	D1031-S1035 PolarHBondContact O-N 2.9Å; V1032-S1035 WeakPolarHBondContact O-CB 3.15Å; V1032-S1035 PolarHBondContact O-N 3.39Å; S1035-N1038 WeakPolarHBondContact O-CB 3.38Å; S1035-N1038 PolarHBondContact O-N 3.18Å; S1035-R1039 PolarHBondContact O-N 3.38Å; S1035-R1039 VanDerWaalsContact O-N 3.16Å
1036	M	93.4	Very high	93.6	Very high	7 Å²	7	44.3 Å²	44.3	3%	0.034	22%	0.219	C	C	.	.	H	α-helix	trans	-67.3	-34.7	176.6	-66.5	-64	-79	0	0	113.1	C832 L833 W847 C849 V1032 R1033 L1034 N1038 R1039 R1040	C832-M1036 HydrophobicContact CB-CE 4.11Å; L833-M1036 HydrophobicContact CD2-CE 3.74Å; W847-M1036 HydrophobicContact CH2-CE 4.31Å; W847-M1036 HydrophobicContact CH2-CG 4.35Å; W847-M1036 HydrophobicContact CH2-SD 4.06Å; W847-M1036 HydrophobicContact CZ3-CE 4.04Å; W847-M1036 HydrophobicContact CZ3-CG 4.25Å; W847-M1036 HydrophobicContact CZ3-SD 4.26Å; C849-M1036 HydrophobicContact CB-CB 4.49Å; C849-M1036 HydrophobicContact CB-CE 4.19Å; C849-M1036 HydrophobicContact CB-CG 4.26Å; V1032-M1036 WeakPolarHBondContact O-CG 3.15Å; V1032-M1036 PolarHBondContact O-N 2.77Å; R1033-M1036 PolarHBondContact O-N 2.95Å; L1034-M1036 VanDerWaalsContact C-N 3.31Å; L1034-M1036 PolarHBondContact O-N 3.38Å; M1036-N1038 VanDerWaalsContact C-N 3.33Å; M1036-N1038 PolarHBondContact O-N 3.44Å; M1036-R1039 PolarHBondContact O-N 2.91Å; M1036-R1039 PolarHBondContact SD-NH1 2.96Å; M1036-R1040 VanDerWaalsContact O-CB 3.3Å; M1036-R1040 WeakPolarHBondContact O-CB 3.28Å; M1036-R1040 PolarHBondContact O-N 3.03Å
1037	Y	94.9	Very high	93.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-32.5	171.2	-83.4	-69.3	0	0	0	113.7	R1033 L1034 K1041 L1177 W1178 D1181	R1033-Y1037 HydrophobicContact CG-CD2 3.98Å; R1033-Y1037 HydrophobicContact CG-CE2 3.67Å; R1033-Y1037 PolarHBondContact NE-OH 3.12Å; R1033-Y1037 PolarHBondContact NH2-OH 3.43Å; R1033-Y1037 VanDerWaalsContact O-CD2 3.29Å; R1033-Y1037 WeakPolarHBondContact O-CD2 3.28Å; R1033-Y1037 PolarHBondContact O-N 2.87Å; L1034-Y1037 PolarHBondContact O-N 3.23Å; Y1037-K1041 VanDerWaalsContact O-CB 3.31Å; Y1037-K1041 WeakPolarHBondContact O-CB 3.04Å; Y1037-K1041 PolarHBondContact O-N 2.61Å; Y1037-L1177 HydrophobicContact CD1-CB 4.11Å; Y1037-L1177 HydrophobicContact CE1-CB 4.31Å; Y1037-W1178 HydrophobicContact CD2-CB 3.92Å; Y1037-W1178 AromaticContact CD2-CD2 3.87Å; Y1037-W1178 HydrophobicContact CD2-CD2 3.87Å; Y1037-W1178 AromaticContact CD2-CE3 3.93Å; Y1037-W1178 HydrophobicContact CD2-CE3 3.93Å; Y1037-W1178 AromaticContact CD2-CG 3.89Å; Y1037-W1178 HydrophobicContact CD2-CG 3.89Å; Y1037-W1178 HydrophobicContact CE1-CB 4.21Å; Y1037-W1178 HydrophobicContact CE2-CB 3.39Å; Y1037-W1178 AromaticContact CE2-CD1 3.41Å; Y1037-W1178 VanDerWaalsContact CE2-CD1 3.41Å; Y1037-W1178 AromaticContact CE2-CD2 3.33Å; Y1037-W1178 HydrophobicContact CE2-CD2 3.33Å; Y1037-W1178 AromaticContact CE2-CE2 3.8Å; Y1037-W1178 AromaticContact CE2-CE3 3.88Å; Y1037-W1178 HydrophobicContact CE2-CE3 3.88Å; Y1037-W1178 AromaticContact CE2-CG 3.08Å; Y1037-W1178 HydrophobicContact CE2-CG 3.08Å; Y1037-W1178 AromaticContact CE2-NE1 3.81Å; Y1037-W1178 AromaticContact CZ-CD1 3.58Å; Y1037-W1178 AromaticContact CZ-CG 3.53Å; Y1037-D1181 WeakPolarHBondContact OH-CB 3.47Å; Y1037-D1181 PolarHBondContact OH-OD2 3.13Å
1038	N	94.2	Very high	93.2	Very high	72 Å²	72	40.5 Å²	40.5	39%	0.385	21%	0.209	S	C	.	.	H	α-helix	trans	-63.9	-51.8	171.8	-72.9	-93.3	0	0	0	109.8	L1034 S1035 M1036 R1040 K1041 D1042	L1034-N1038 PolarHBondContact O-N 3.13Å; L1034-N1038 VanDerWaalsContact O-N 3.16Å; L1034-N1038 PolarHBondContact O-ND2 3.42Å; S1035-N1038 WeakPolarHBondContact O-CB 3.38Å; S1035-N1038 PolarHBondContact O-N 3.18Å; M1036-N1038 VanDerWaalsContact C-N 3.33Å; M1036-N1038 PolarHBondContact O-N 3.44Å; N1038-R1040 PolarHBondContact O-N 3.12Å; N1038-K1041 PolarHBondContact O-N 2.95Å; N1038-K1041 VanDerWaalsContact O-N 3.12Å; N1038-D1042 VanDerWaalsContact O-CG 3.29Å; N1038-D1042 PolarHBondContact O-N 3.27Å
1039	R	92.2	Very high	93.1	Very high	120 Å²	120	41.5 Å²	41.5	45%	0.453	21%	0.212	S	C	.	.	H	α-helix	trans	-57.9	-44	177.5	-64.9	178.3	68	-145.2	-4.8	112.8	C832 S1035 M1036 D1042 Y1043	C832-R1039 HydrophobicContact CB-CB 4.37Å; C832-R1039 PolarHBondContact O-NH1 3.17Å; C832-R1039 PolarHBondContact O-NH2 2.89Å; C832-R1039 VanDerWaalsContact SG-C 3.59Å; S1035-R1039 PolarHBondContact O-N 3.38Å; S1035-R1039 VanDerWaalsContact O-N 3.16Å; M1036-R1039 PolarHBondContact O-N 2.91Å; M1036-R1039 PolarHBondContact SD-NH1 2.96Å; R1039-D1042 PolarHBondContact O-N 3.17Å; R1039-Y1043 VanDerWaalsContact O-CB 3.31Å; R1039-Y1043 WeakPolarHBondContact O-CB 3.46Å; R1039-Y1043 PolarHBondContact O-N 3.03Å
1040	R	93.3	Very high	92.9	Very high	14 Å²	14	41.8 Å²	41.8	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-44.5	175.1	-176.2	-152.4	176.1	151.6	-31.8	110.9	N826 D829 M1036 N1038 Y1043 M1044 D1181	N826-R1040 PolarHBondContact ND2-NH1 2.95Å; N826-R1040 PolarHBondContact ND2-NH2 2.9Å; D829-R1040 WeakPolarHBondContact OD1-CD 3.44Å; D829-R1040 IonicContact OD1-CZ 2.78Å; D829-R1040 IonicContact OD1-NE 2.7Å; D829-R1040 IonicContact OD1-NH1 3.72Å; D829-R1040 PolarHBondContact OD1-NH1 3.21Å; D829-R1040 IonicContact OD2-NH1 3.9Å; M1036-R1040 VanDerWaalsContact O-CB 3.3Å; M1036-R1040 WeakPolarHBondContact O-CB 3.28Å; M1036-R1040 PolarHBondContact O-N 3.03Å; N1038-R1040 PolarHBondContact O-N 3.12Å; R1040-Y1043 PolarHBondContact O-N 3.08Å; R1040-M1044 HydrophobicContact CG-CE 3.91Å; R1040-M1044 HydrophobicContact CG-CG 4.46Å; R1040-M1044 HydrophobicContact CG-SD 4.05Å; R1040-M1044 WeakPolarHBondContact O-CB 3.24Å; R1040-M1044 VanDerWaalsContact O-CG 3.23Å; R1040-M1044 WeakPolarHBondContact O-CG 3.47Å; R1040-M1044 PolarHBondContact O-N 3.48Å; R1040-D1181 IonicContact CZ-OD1 3.81Å; R1040-D1181 IonicContact CZ-OD2 3.13Å; R1040-D1181 IonicContact NH1-OD1 3.98Å; R1040-D1181 IonicContact NH1-OD2 2.74Å; R1040-D1181 PolarHBondContact NH1-OD2 3.43Å; R1040-D1181 IonicContact NH2-OD1 2.65Å; R1040-D1181 PolarHBondContact NH2-OD1 2.78Å; R1040-D1181 IonicContact NH2-OD2 3.6Å; R1040-D1181 PolarHBondContact NH2-OD2 3.46Å
1041	K	93.6	Very high	92.7	Very high	23 Å²	23	44 Å²	44	10%	0.1	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-49.4	176.7	-177.8	173.7	171.7	176.2	0	111.2	Y1037 N1038 Y1043 M1044 E1045 L1169 R1170 K1172 P1174 L1177	Y1037-K1041 VanDerWaalsContact O-CB 3.31Å; Y1037-K1041 WeakPolarHBondContact O-CB 3.04Å; Y1037-K1041 PolarHBondContact O-N 2.61Å; N1038-K1041 PolarHBondContact O-N 2.95Å; N1038-K1041 VanDerWaalsContact O-N 3.12Å; K1041-Y1043 VanDerWaalsContact C-N 3.3Å; K1041-Y1043 PolarHBondContact O-N 2.9Å; K1041-M1044 PolarHBondContact O-N 2.91Å; K1041-E1045 WeakPolarHBondContact CE-OE1 3.11Å; K1041-E1045 HydrophobicContact CG-CG 4.39Å; K1041-E1045 IonicContact NZ-OE1 3.81Å; K1041-E1045 PolarHBondContact NZ-OE1 3.29Å; K1041-E1045 WeakPolarHBondContact O-CB 3.38Å; K1041-E1045 PolarHBondContact O-N 3.01Å; K1041-L1169 WeakPolarHBondContact CE-O 3.22Å; K1041-L1169 HydrophobicContact CG-CD1 4.34Å; K1041-L1169 PolarHBondContact NZ-O 3.18Å; K1041-R1170 PolarHBondContact NZ-O 3.4Å; K1041-K1172 PolarHBondContact NZ-O 2.94Å; K1041-P1174 HydrophobicContact CD-CG 4.25Å; K1041-L1177 HydrophobicContact CB-CD1 4.02Å; K1041-L1177 HydrophobicContact CD-CD1 4.37Å; K1041-L1177 HydrophobicContact CG-CD1 4.27Å
1042	D	91.7	Very high	92.5	Very high	107 Å²	107	40 Å²	40	57%	0.572	20%	0.204	S	C	*	.	H	α-helix	trans	-59.4	-40.8	178.7	-63.8	-22	0	0	0	111.8	N1038 R1039 S1046	N1038-D1042 VanDerWaalsContact O-CG 3.29Å; N1038-D1042 PolarHBondContact O-N 3.27Å; R1039-D1042 PolarHBondContact O-N 3.17Å; D1042-S1046 WeakPolarHBondContact O-CB 3.25Å; D1042-S1046 PolarHBondContact O-N 2.94Å; D1042-S1046 PolarHBondContact O-OG 2.88Å
1043	Y	90.7	Very high	92.4	Very high	57 Å²	57	40 Å²	40	22%	0.224	20%	0.203	C	C	.	.	H	α-helix	trans	-63.8	-51.7	174.5	177.4	-90.9	0	0	0	111.9	A831 R1039 R1040 K1041 S1046 L1047 W1097	A831-Y1043 HydrophobicContact CB-CD1 4.19Å; A831-Y1043 HydrophobicContact CB-CD2 4.16Å; A831-Y1043 HydrophobicContact CB-CE1 3.58Å; A831-Y1043 HydrophobicContact CB-CE2 3.53Å; A831-Y1043 HydrophobicContact CB-CG 4.46Å; A831-Y1043 VanDerWaalsContact CB-OH 3.31Å; A831-Y1043 WeakPolarHBondContact CB-OH 3.36Å; R1039-Y1043 VanDerWaalsContact O-CB 3.31Å; R1039-Y1043 WeakPolarHBondContact O-CB 3.46Å; R1039-Y1043 PolarHBondContact O-N 3.03Å; R1040-Y1043 PolarHBondContact O-N 3.08Å; K1041-Y1043 VanDerWaalsContact C-N 3.3Å; K1041-Y1043 PolarHBondContact O-N 2.9Å; Y1043-S1046 PolarHBondContact O-N 3.39Å; Y1043-S1046 PolarHBondContact O-OG 2.88Å; Y1043-S1046 VanDerWaalsContact O-OG 3.09Å; Y1043-L1047 HydrophobicContact CE1-CD2 4Å; Y1043-L1047 WeakPolarHBondContact O-CB 3.49Å; Y1043-L1047 PolarHBondContact O-N 3.11Å; Y1043-W1097 HydrophobicContact CD2-CH2 4.28Å; Y1043-W1097 AromaticContact CD2-CZ2 3.9Å; Y1043-W1097 HydrophobicContact CD2-CZ2 3.9Å; Y1043-W1097 AromaticContact CE2-CH2 3.43Å; Y1043-W1097 HydrophobicContact CE2-CH2 3.43Å; Y1043-W1097 VanDerWaalsContact CE2-CH2 3.43Å; Y1043-W1097 AromaticContact CE2-CZ2 3.52Å; Y1043-W1097 HydrophobicContact CE2-CZ2 3.52Å; Y1043-W1097 AromaticContact CZ-CH2 3.61Å; Y1043-W1097 AromaticContact CZ-CZ2 3.97Å
1044	M	90.7	Very high	92.2	Very high	37 Å²	37	43.4 Å²	43.4	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-64.3	-41	-179.4	-70	-176.1	-48.4	0	0	112.1	A828 R1040 K1041 L1048 L1169 L1177	A828-M1044 HydrophobicContact CB-SD 4.13Å; R1040-M1044 HydrophobicContact CG-CE 3.91Å; R1040-M1044 HydrophobicContact CG-CG 4.46Å; R1040-M1044 HydrophobicContact CG-SD 4.05Å; R1040-M1044 WeakPolarHBondContact O-CB 3.24Å; R1040-M1044 VanDerWaalsContact O-CG 3.23Å; R1040-M1044 WeakPolarHBondContact O-CG 3.47Å; R1040-M1044 PolarHBondContact O-N 3.48Å; K1041-M1044 PolarHBondContact O-N 2.91Å; M1044-L1048 WeakPolarHBondContact O-CB 3.45Å; M1044-L1048 WeakPolarHBondContact O-CG 3.35Å; M1044-L1048 PolarHBondContact O-N 2.99Å; M1044-L1169 HydrophobicContact CB-CD2 3.55Å; M1044-L1169 HydrophobicContact CE-CD1 3.92Å; M1044-L1169 HydrophobicContact CE-CD2 4.41Å; M1044-L1177 HydrophobicContact CE-CD1 4.02Å
1045	E	91.6	Very high	92.1	Very high	42 Å²	42	43 Å²	43	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-48.1	174.3	-82.8	-156.8	-158.4	0	0	111.5	K1041 L1047 L1048 D1049 L1169 R1170	K1041-E1045 WeakPolarHBondContact CE-OE1 3.11Å; K1041-E1045 HydrophobicContact CG-CG 4.39Å; K1041-E1045 IonicContact NZ-OE1 3.81Å; K1041-E1045 PolarHBondContact NZ-OE1 3.29Å; K1041-E1045 WeakPolarHBondContact O-CB 3.38Å; K1041-E1045 PolarHBondContact O-N 3.01Å; E1045-L1047 VanDerWaalsContact C-N 3.33Å; E1045-L1047 PolarHBondContact O-N 2.9Å; E1045-L1048 PolarHBondContact O-N 3.21Å; E1045-D1049 VanDerWaalsContact O-CB 3.29Å; E1045-D1049 WeakPolarHBondContact O-CB 3.23Å; E1045-D1049 PolarHBondContact O-N 3.03Å; E1045-L1169 HydrophobicContact CB-CD2 4.35Å; E1045-L1169 HydrophobicContact CG-CD2 3.69Å; E1045-L1169 HydrophobicContact CG-CG 3.89Å; E1045-R1170 VanDerWaalsContact CD-CG 3.4Å; E1045-R1170 HydrophobicContact CG-CG 4.27Å; E1045-R1170 WeakPolarHBondContact OE1-CA 3.45Å; E1045-R1170 VanDerWaalsContact OE1-CG 3.31Å; E1045-R1170 WeakPolarHBondContact OE1-CG 3.4Å; E1045-R1170 WeakPolarHBondContact OE2-CG 3.36Å; E1045-R1170 IonicContact OE2-NE 2.98Å; E1045-R1170 PolarHBondContact OE2-NE 2.8Å
1046	S	90.2	Very high	92	Very high	40 Å²	40	45 Å²	45	28%	0.28	21%	0.212	S	C	.	.	H	α-helix	trans	-68.5	-31.8	-178.3	64.8	0	0	0	0	113	D1042 Y1043 A1050 W1097	D1042-S1046 WeakPolarHBondContact O-CB 3.25Å; D1042-S1046 PolarHBondContact O-N 2.94Å; D1042-S1046 PolarHBondContact O-OG 2.88Å; Y1043-S1046 PolarHBondContact O-N 3.39Å; Y1043-S1046 PolarHBondContact O-OG 2.88Å; Y1043-S1046 VanDerWaalsContact O-OG 3.09Å; S1046-A1050 WeakPolarHBondContact O-CB 3.36Å; S1046-A1050 PolarHBondContact O-N 3.36Å; S1046-W1097 PolarHBondContact OG-NE1 2.91Å
1047	L	90.1	Very high	91.9	Very high	38 Å²	38	44.8 Å²	44.8	20%	0.199	21%	0.211	C	C	.	.	H	α-helix	trans	-69.6	-46.5	172.5	178.3	56.7	0	0	0	112	Y1043 E1045 D1049 A1050 Q1051 W1097	Y1043-L1047 HydrophobicContact CE1-CD2 4Å; Y1043-L1047 WeakPolarHBondContact O-CB 3.49Å; Y1043-L1047 PolarHBondContact O-N 3.11Å; E1045-L1047 VanDerWaalsContact C-N 3.33Å; E1045-L1047 PolarHBondContact O-N 2.9Å; L1047-D1049 VanDerWaalsContact C-N 3.35Å; L1047-A1050 PolarHBondContact O-N 2.65Å; L1047-Q1051 HydrophobicContact CD1-CG 4.28Å; L1047-Q1051 WeakPolarHBondContact O-CB 3.31Å; L1047-Q1051 WeakPolarHBondContact O-CG 3.29Å; L1047-Q1051 PolarHBondContact O-N 2.78Å; L1047-W1097 HydrophobicContact CB-CH2 4.19Å; L1047-W1097 HydrophobicContact CB-CZ2 3.79Å; L1047-W1097 HydrophobicContact CD1-CE3 4.17Å; L1047-W1097 HydrophobicContact CD1-CH2 3.84Å; L1047-W1097 HydrophobicContact CD1-CZ2 4.19Å; L1047-W1097 HydrophobicContact CD1-CZ3 3.83Å; L1047-W1097 HydrophobicContact CD2-CH2 4.44Å; L1047-W1097 HydrophobicContact CG-CH2 4.38Å; L1047-W1097 HydrophobicContact CG-CZ2 4.46Å
1048	L	91.1	Very high	91.8	Very high	22 Å²	22	46 Å²	46	12%	0.115	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-35.6	177.1	-77.8	171.4	0	0	0	112	M1044 E1045 Q1051 S1052 K1162 E1165 L1166 L1169	M1044-L1048 WeakPolarHBondContact O-CB 3.45Å; M1044-L1048 WeakPolarHBondContact O-CG 3.35Å; M1044-L1048 PolarHBondContact O-N 2.99Å; E1045-L1048 PolarHBondContact O-N 3.21Å; L1048-Q1051 PolarHBondContact O-N 3.44Å; L1048-S1052 WeakPolarHBondContact O-CB 3.16Å; L1048-S1052 PolarHBondContact O-N 2.95Å; L1048-S1052 PolarHBondContact O-OG 2.99Å; L1048-K1162 HydrophobicContact CD2-CD 3.86Å; L1048-E1165 HydrophobicContact CD1-CB 4.42Å; L1048-E1165 HydrophobicContact CD2-CB 4.41Å; L1048-L1166 HydrophobicContact CB-CB 4.32Å; L1048-L1166 HydrophobicContact CB-CD1 3.78Å; L1048-L1169 HydrophobicContact CD1-CD2 3.88Å
1049	D	92.5	Very high	91.6	Very high	51 Å²	51	42.7 Å²	42.7	27%	0.273	20%	0.199	S	C	.	.	H	α-helix	trans	-65.5	-45.5	174	-161.9	96.3	0	0	0	110.4	E1045 L1047 Q1051 S1052 N1053 L1166 R1170	E1045-D1049 VanDerWaalsContact O-CB 3.29Å; E1045-D1049 WeakPolarHBondContact O-CB 3.23Å; E1045-D1049 PolarHBondContact O-N 3.03Å; L1047-D1049 VanDerWaalsContact C-N 3.35Å; D1049-Q1051 PolarHBondContact O-N 3.04Å; D1049-S1052 PolarHBondContact O-N 3.04Å; D1049-N1053 WeakPolarHBondContact O-CB 3.42Å; D1049-N1053 PolarHBondContact O-N 3.43Å; D1049-N1053 PolarHBondContact O-ND2 3.14Å; D1049-N1053 PolarHBondContact OD2-ND2 3.28Å; D1049-L1166 HydrophobicContact CB-CD1 4.2Å; D1049-L1166 HydrophobicContact CB-CD2 4.26Å; D1049-R1170 IonicContact OD1-CZ 3.62Å; D1049-R1170 IonicContact OD1-NH1 3.51Å; D1049-R1170 IonicContact OD1-NH2 2.67Å; D1049-R1170 PolarHBondContact OD1-NH2 3.42Å
1050	A	91.1	Very high	91.6	Very high	6 Å²	6	40.5 Å²	40.5	5%	0.05	19%	0.191	C	C	.	.	H	α-helix	trans	-60	-44.8	173.7	0	0	0	0	0	113	S1046 L1047 R1054 P1093 V1094 W1097	S1046-A1050 WeakPolarHBondContact O-CB 3.36Å; S1046-A1050 PolarHBondContact O-N 3.36Å; L1047-A1050 PolarHBondContact O-N 2.65Å; A1050-R1054 WeakPolarHBondContact O-CB 3.39Å; A1050-R1054 PolarHBondContact O-N 3.18Å; A1050-P1093 WeakPolarHBondContact O-CB 3.5Å; A1050-V1094 HydrophobicContact CB-CG2 4.25Å; A1050-W1097 HydrophobicContact CB-CB 3.85Å; A1050-W1097 HydrophobicContact CB-CG 4.02Å
1051	Q	91.3	Very high	91.4	Very high	64 Å²	64	40.2 Å²	40.2	30%	0.299	19%	0.19	S	C	.	.	H	α-helix	trans	-64.1	-44	175.7	-72	178.2	9	0	0	112	L1047 L1048 D1049 R1054 L1055 V1094	L1047-Q1051 HydrophobicContact CD1-CG 4.28Å; L1047-Q1051 WeakPolarHBondContact O-CB 3.31Å; L1047-Q1051 WeakPolarHBondContact O-CG 3.29Å; L1047-Q1051 PolarHBondContact O-N 2.78Å; L1048-Q1051 PolarHBondContact O-N 3.44Å; D1049-Q1051 PolarHBondContact O-N 3.04Å; Q1051-R1054 PolarHBondContact O-N 3.34Å; Q1051-L1055 PolarHBondContact O-N 2.84Å; Q1051-V1094 HydrophobicContact CG-CG2 4.22Å
1052	S	91.6	Very high	91.2	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.035	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-42.3	178	-61.1	0	0	0	0	111.8	L1048 D1049 L1055 R1056 K1162	L1048-S1052 WeakPolarHBondContact O-CB 3.16Å; L1048-S1052 PolarHBondContact O-N 2.95Å; L1048-S1052 PolarHBondContact O-OG 2.99Å; D1049-S1052 PolarHBondContact O-N 3.04Å; S1052-L1055 PolarHBondContact O-N 3.03Å; S1052-R1056 WeakPolarHBondContact O-CB 3.27Å; S1052-R1056 PolarHBondContact O-N 2.96Å; S1052-K1162 PolarHBondContact OG-O 3.32Å
1053	N	92	Very high	91.1	Very high	30 Å²	30	36.8 Å²	36.8	16%	0.16	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-42.1	174.3	-70	-43.1	0	0	0	111.4	D1049 R1056 N1057 P1093	D1049-N1053 WeakPolarHBondContact O-CB 3.42Å; D1049-N1053 PolarHBondContact O-N 3.43Å; D1049-N1053 PolarHBondContact O-ND2 3.14Å; D1049-N1053 PolarHBondContact OD2-ND2 3.28Å; N1053-R1056 PolarHBondContact O-N 3.4Å; N1053-R1056 PolarHBondContact OD1-NH1 2.87Å; N1053-R1056 PolarHBondContact OD1-NH2 2.77Å; N1053-N1057 WeakPolarHBondContact O-CB 3.39Å; N1053-N1057 PolarHBondContact O-N 2.86Å; N1053-N1057 PolarHBondContact O-OD1 3.37Å; N1053-P1093 HydrophobicContact CB-CB 3.95Å; N1053-P1093 HydrophobicContact CB-CG 3.9Å
1054	R	91.8	Very high	91.1	Very high	73 Å²	73	35 Å²	35	28%	0.275	17%	0.166	S	C	.	.	H	α-helix	trans	-61.4	-49.6	175.4	-178.2	-178	175.8	126	-4.7	111.8	A1050 Q1051 N1057 Q1058 D1092 V1094 Y1138	A1050-R1054 WeakPolarHBondContact O-CB 3.39Å; A1050-R1054 PolarHBondContact O-N 3.18Å; Q1051-R1054 PolarHBondContact O-N 3.34Å; R1054-N1057 PolarHBondContact O-N 2.89Å; R1054-Q1058 WeakPolarHBondContact O-CG 3.45Å; R1054-Q1058 PolarHBondContact O-N 3.13Å; R1054-D1092 IonicContact CZ-OD1 3.45Å; R1054-D1092 IonicContact CZ-OD2 2.7Å; R1054-D1092 IonicContact NH1-OD1 2.74Å; R1054-D1092 PolarHBondContact NH1-OD1 3.2Å; R1054-D1092 IonicContact NH1-OD2 2.7Å; R1054-D1092 PolarHBondContact NH1-OD2 3.01Å; R1054-V1094 HydrophobicContact CB-CG2 4.1Å; R1054-Y1138 HydrophobicContact CG-CD2 3.71Å; R1054-Y1138 HydrophobicContact CG-CE2 3.93Å
1055	L	91.6	Very high	90.9	Very high	30 Å²	30	35 Å²	35	16%	0.157	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-39.6	177.8	-75.4	167.5	0	0	0	112.2	Q1051 S1052 N1057 Q1058 A1059 D1158 R1159 K1162	Q1051-L1055 PolarHBondContact O-N 2.84Å; S1052-L1055 PolarHBondContact O-N 3.03Å; L1055-N1057 VanDerWaalsContact C-N 3.31Å; L1055-N1057 PolarHBondContact O-N 3.32Å; L1055-Q1058 PolarHBondContact O-N 2.54Å; L1055-A1059 VanDerWaalsContact O-CB 3.28Å; L1055-A1059 WeakPolarHBondContact O-CB 3.46Å; L1055-A1059 PolarHBondContact O-N 3.37Å; L1055-D1158 HydrophobicContact CD1-CB 4.47Å; L1055-D1158 HydrophobicContact CD2-CB 4.37Å; L1055-R1159 HydrophobicContact CB-CB 4.04Å; L1055-R1159 HydrophobicContact CB-CG 4.39Å; L1055-K1162 HydrophobicContact CD1-CB 4.13Å; L1055-K1162 HydrophobicContact CD1-CG 3.79Å
1056	R	92.4	Very high	90.7	Very high	106 Å²	106	37.4 Å²	37.4	40%	0.4	18%	0.178	S	C	.	.	H	α-helix	trans	-58.9	-43.1	172.6	-175.5	-174.7	70.3	-143.1	-5.2	111.2	S1052 N1053 R1060 D1090 R1159	S1052-R1056 WeakPolarHBondContact O-CB 3.27Å; S1052-R1056 PolarHBondContact O-N 2.96Å; N1053-R1056 PolarHBondContact O-N 3.4Å; N1053-R1056 PolarHBondContact OD1-NH1 2.87Å; N1053-R1056 PolarHBondContact OD1-NH2 2.77Å; R1056-R1060 WeakPolarHBondContact O-CB 3.46Å; R1056-R1060 PolarHBondContact O-N 3.41Å; R1056-D1090 IonicContact NH2-OD2 3.35Å; R1056-R1159 HydrophobicContact CB-CG 4.42Å
1057	N	92.1	Very high	90.5	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-71.9	-37.2	179.1	-70.3	-5.1	0	0	0	112.2	N1053 R1054 L1055 R1060 F1061 Y1089 D1090 Y1138	N1053-N1057 WeakPolarHBondContact O-CB 3.39Å; N1053-N1057 PolarHBondContact O-N 2.86Å; N1053-N1057 PolarHBondContact O-OD1 3.37Å; R1054-N1057 PolarHBondContact O-N 2.89Å; L1055-N1057 VanDerWaalsContact C-N 3.31Å; L1055-N1057 PolarHBondContact O-N 3.32Å; N1057-R1060 PolarHBondContact O-N 2.97Å; N1057-F1061 VanDerWaalsContact O-CB 3.23Å; N1057-F1061 WeakPolarHBondContact O-CB 3.39Å; N1057-F1061 PolarHBondContact O-N 2.89Å; N1057-Y1089 HydrophobicContact CB-CD1 4.2Å; N1057-D1090 WeakPolarHBondContact ND2-CB 3.42Å; N1057-D1090 PolarHBondContact ND2-N 2.84Å; N1057-D1090 PolarHBondContact ND2-OD2 2.85Å; N1057-Y1138 HydrophobicContact CB-CE2 4.1Å; N1057-Y1138 WeakPolarHBondContact CB-OH 3.27Å; N1057-Y1138 PolarHBondContact ND2-OH 3.49Å; N1057-Y1138 VanDerWaalsContact ND2-OH 3.11Å
1058	Q	91.1	Very high	90.1	Very high	26 Å²	26	41.7 Å²	41.7	12%	0.121	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-47.8	172.1	-73.3	-179.3	-38.1	0	0	111.6	R1054 L1055 R1060 F1061 I1062 Y1138 L1139 M1142 I1155	R1054-Q1058 WeakPolarHBondContact O-CG 3.45Å; R1054-Q1058 PolarHBondContact O-N 3.13Å; L1055-Q1058 PolarHBondContact O-N 2.54Å; Q1058-R1060 PolarHBondContact O-N 3.21Å; Q1058-F1061 PolarHBondContact O-N 2.88Å; Q1058-I1062 WeakPolarHBondContact O-CB 3.11Å; Q1058-I1062 VanDerWaalsContact O-CG1 3.26Å; Q1058-I1062 WeakPolarHBondContact O-CG1 3.27Å; Q1058-I1062 PolarHBondContact O-N 3.26Å; Q1058-Y1138 HydrophobicContact CG-CD2 4.07Å; Q1058-Y1138 HydrophobicContact CG-CE2 4.29Å; Q1058-Y1138 PolarHBondContact NE2-O 2.87Å; Q1058-L1139 HydrophobicContact CB-CD2 4.42Å; Q1058-L1139 HydrophobicContact CG-CD2 3.74Å; Q1058-M1142 HydrophobicContact CB-CE 4.43Å; Q1058-M1142 HydrophobicContact CB-SD 4.01Å; Q1058-M1142 HydrophobicContact CG-CE 4.34Å; Q1058-M1142 HydrophobicContact CG-SD 3.66Å; Q1058-I1155 HydrophobicContact CB-CG2 4.47Å
1059	A	90.4	Very high	89.9	Confident	3 Å²	3	43.3 Å²	43.3	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-57.6	-46.3	174.5	0	0	0	0	0	111.9	L1055 I1062 L1063 I1155 L1156	L1055-A1059 VanDerWaalsContact O-CB 3.28Å; L1055-A1059 WeakPolarHBondContact O-CB 3.46Å; L1055-A1059 PolarHBondContact O-N 3.37Å; A1059-I1062 PolarHBondContact O-N 3.05Å; A1059-L1063 WeakPolarHBondContact O-CB 3.36Å; A1059-L1063 VanDerWaalsContact O-CG 3.31Å; A1059-L1063 WeakPolarHBondContact O-CG 3.32Å; A1059-L1063 PolarHBondContact O-N 3.25Å; A1059-I1155 HydrophobicContact CB-CG2 3.97Å; A1059-L1156 HydrophobicContact CB-CD2 3.95Å
1060	R	91.9	Very high	89.5	Confident	74 Å²	74	41 Å²	41	28%	0.279	20%	0.201	S	C	.	.	H	α-helix	trans	-63.4	-43.4	177.5	-172.8	-167.8	164	-156.4	-10.9	112	R1056 N1057 Q1058 L1063 E1064 R1087 K1088 Y1089	R1056-R1060 WeakPolarHBondContact O-CB 3.46Å; R1056-R1060 PolarHBondContact O-N 3.41Å; N1057-R1060 PolarHBondContact O-N 2.97Å; Q1058-R1060 PolarHBondContact O-N 3.21Å; R1060-L1063 PolarHBondContact O-N 3.2Å; R1060-E1064 HydrophobicContact CG-CG 4.35Å; R1060-E1064 IonicContact CZ-OE1 3.96Å; R1060-E1064 IonicContact NE-OE1 3.93Å; R1060-E1064 PolarHBondContact NE-OE1 2.79Å; R1060-E1064 IonicContact NH2-OE1 3.15Å; R1060-E1064 PolarHBondContact NH2-OE1 3.18Å; R1060-E1064 IonicContact NH2-OE2 3.81Å; R1060-E1064 WeakPolarHBondContact O-CB 3.43Å; R1060-E1064 WeakPolarHBondContact O-CG 3.46Å; R1060-E1064 PolarHBondContact O-N 3.39Å; R1060-R1087 PolarHBondContact NH1-O 3.14Å; R1060-R1087 PolarHBondContact NH2-O 2.99Å; R1060-K1088 PolarHBondContact NH1-O 2.87Å; R1060-K1088 VanDerWaalsContact NH1-O 3.08Å; R1060-Y1089 HydrophobicContact CB-CE1 4.21Å; R1060-Y1089 HydrophobicContact CG-CE1 4.2Å; R1060-Y1089 WeakPolarHBondContact CG-OH 3.43Å; R1060-Y1089 PolarHBondContact O-OH 3.2Å
1061	F	90.9	Very high	89.1	Confident	8 Å²	8	47 Å²	47	4%	0.035	23%	0.227	C	C	.	.	H	α-helix	trans	-63.8	-42.8	177.8	177.8	-92.7	0	0	0	111.7	N1057 Q1058 K1065 I1070 I1072 L1084 Y1089 L1139 L1140 M1142	N1057-F1061 VanDerWaalsContact O-CB 3.23Å; N1057-F1061 WeakPolarHBondContact O-CB 3.39Å; N1057-F1061 PolarHBondContact O-N 2.89Å; Q1058-F1061 PolarHBondContact O-N 2.88Å; F1061-K1065 WeakPolarHBondContact O-CB 3.34Å; F1061-K1065 PolarHBondContact O-N 2.94Å; F1061-I1070 HydrophobicContact CD2-CD1 3.81Å; F1061-I1070 HydrophobicContact CE2-CD1 4.32Å; F1061-I1070 HydrophobicContact CE2-CG2 4.16Å; F1061-I1072 HydrophobicContact CE1-CD1 4.13Å; F1061-I1072 HydrophobicContact CE2-CD1 4.34Å; F1061-I1072 HydrophobicContact CZ-CD1 3.55Å; F1061-L1084 HydrophobicContact CD2-CD2 3.76Å; F1061-L1084 HydrophobicContact CE2-CD2 3.9Å; F1061-Y1089 WeakPolarHBondContact CA-OH 3.43Å; F1061-Y1089 HydrophobicContact CB-CE1 3.84Å; F1061-Y1089 PolarHBondContact N-OH 2.87Å; F1061-L1139 HydrophobicContact CB-CD2 3.98Å; F1061-L1139 HydrophobicContact CD1-CB 4.46Å; F1061-L1139 HydrophobicContact CD2-CB 4.09Å; F1061-L1139 HydrophobicContact CD2-CD1 4.13Å; F1061-L1139 HydrophobicContact CE1-CB 4.48Å; F1061-L1139 WeakPolarHBondContact CE1-O 3.48Å; F1061-L1139 HydrophobicContact CE2-CB 4.13Å; F1061-L1139 HydrophobicContact CG-CB 4.24Å; F1061-L1139 HydrophobicContact CG-CD1 4.5Å; F1061-L1139 HydrophobicContact CG-CD2 4.26Å; F1061-L1139 HydrophobicContact CZ-CB 4.3Å; F1061-L1140 HydrophobicContact CE2-CD2 4.48Å; F1061-L1140 HydrophobicContact CZ-CD2 4.36Å; F1061-M1142 HydrophobicContact CD1-CE 3.35Å; F1061-M1142 HydrophobicContact CE1-CE 3.79Å; F1061-M1142 HydrophobicContact CG-CE 4.27Å
1062	I	88.2	Confident	88.7	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-46	176.8	-69.2	165.8	0	0	0	110.5	Q1058 A1059 K1065 I1066 M1142 K1146 L1147 K1152 I1155	Q1058-I1062 WeakPolarHBondContact O-CB 3.11Å; Q1058-I1062 VanDerWaalsContact O-CG1 3.26Å; Q1058-I1062 WeakPolarHBondContact O-CG1 3.27Å; Q1058-I1062 PolarHBondContact O-N 3.26Å; A1059-I1062 PolarHBondContact O-N 3.05Å; I1062-K1065 PolarHBondContact O-N 2.87Å; I1062-I1066 HydrophobicContact CG2-CD1 3.71Å; I1062-I1066 HydrophobicContact CG2-CG1 4.49Å; I1062-I1066 WeakPolarHBondContact O-CB 3.48Å; I1062-I1066 VanDerWaalsContact O-CG1 3.26Å; I1062-I1066 WeakPolarHBondContact O-CG1 3.38Å; I1062-I1066 PolarHBondContact O-N 3.17Å; I1062-M1142 HydrophobicContact CD1-CE 4.15Å; I1062-M1142 HydrophobicContact CD1-SD 4.44Å; I1062-M1142 HydrophobicContact CG1-CE 3.9Å; I1062-K1146 HydrophobicContact CD1-CB 4.3Å; I1062-L1147 HydrophobicContact CB-CD2 4.34Å; I1062-L1147 HydrophobicContact CG1-CD2 4.14Å; I1062-L1147 HydrophobicContact CG2-CD2 4Å; I1062-K1152 HydrophobicContact CG2-CB 4.22Å; I1062-K1152 HydrophobicContact CG2-CG 3.8Å; I1062-I1155 HydrophobicContact CD1-CD1 3.49Å; I1062-I1155 VanDerWaalsContact CD1-CD1 3.49Å; I1062-I1155 HydrophobicContact CD1-CG2 4.38Å
1063	L	89	Confident	88.2	Confident	56 Å²	56	52.8 Å²	52.8	29%	0.293	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-53.8	176	-71.3	170.3	0	0	0	111.9	A1059 R1060 K1065 I1066 E1067 K1152 L1156	A1059-L1063 WeakPolarHBondContact O-CB 3.36Å; A1059-L1063 VanDerWaalsContact O-CG 3.31Å; A1059-L1063 WeakPolarHBondContact O-CG 3.32Å; A1059-L1063 PolarHBondContact O-N 3.25Å; R1060-L1063 PolarHBondContact O-N 3.2Å; L1063-K1065 PolarHBondContact O-N 2.87Å; L1063-K1065 VanDerWaalsContact O-N 3.16Å; L1063-I1066 PolarHBondContact O-N 3.38Å; L1063-I1066 VanDerWaalsContact O-N 3.11Å; L1063-E1067 WeakPolarHBondContact O-CB 3.41Å; L1063-E1067 VanDerWaalsContact O-CG 3.28Å; L1063-E1067 WeakPolarHBondContact O-CG 3.43Å; L1063-E1067 PolarHBondContact O-N 3.4Å; L1063-K1152 HydrophobicContact CD2-CD 4.07Å; L1063-L1156 HydrophobicContact CD1-CD2 4.28Å
1064	E	91.1	Very high	87.8	Confident	20 Å²	20	59.6 Å²	59.6	9%	0.093	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-25.9	177.4	-71.8	-172.2	173.6	0	0	111.9	R1060 T1069 I1070 R1087 Y1089	R1060-E1064 HydrophobicContact CG-CG 4.35Å; R1060-E1064 IonicContact CZ-OE1 3.96Å; R1060-E1064 IonicContact NE-OE1 3.93Å; R1060-E1064 PolarHBondContact NE-OE1 2.79Å; R1060-E1064 IonicContact NH2-OE1 3.15Å; R1060-E1064 PolarHBondContact NH2-OE1 3.18Å; R1060-E1064 IonicContact NH2-OE2 3.81Å; R1060-E1064 WeakPolarHBondContact O-CB 3.43Å; R1060-E1064 WeakPolarHBondContact O-CG 3.46Å; R1060-E1064 PolarHBondContact O-N 3.39Å; E1064-T1069 HydrophobicContact CB-CG2 4.08Å; E1064-T1069 HydrophobicContact CG-CG2 4.06Å; E1064-T1069 CarbonylContact O-C 3.51Å; E1064-T1069 VanDerWaalsContact O-CA 3.32Å; E1064-T1069 WeakPolarHBondContact O-CA 3.42Å; E1064-T1069 VanDerWaalsContact O-CB 3.23Å; E1064-T1069 WeakPolarHBondContact O-CB 3.49Å; E1064-T1069 PolarHBondContact O-N 3.18Å; E1064-I1070 HydrophobicContact CB-CB 4.48Å; E1064-I1070 HydrophobicContact CB-CD1 3.92Å; E1064-I1070 HydrophobicContact CB-CG1 3.96Å; E1064-I1070 PolarHBondContact O-N 2.97Å; E1064-I1070 VanDerWaalsContact OE2-CD1 3.32Å; E1064-I1070 WeakPolarHBondContact OE2-CD1 3.1Å; E1064-R1087 IonicContact OE1-CZ 3.47Å; E1064-R1087 IonicContact OE1-NE 2.93Å; E1064-R1087 IonicContact OE1-NH2 3.87Å; E1064-R1087 PolarHBondContact OE1-NH2 2.81Å; E1064-R1087 IonicContact OE2-CZ 3.91Å; E1064-R1087 IonicContact OE2-NE 3.26Å; E1064-R1087 PolarHBondContact OE2-NE 3.27Å; E1064-R1087 IonicContact OE2-NH2 2.66Å; E1064-R1087 PolarHBondContact OE2-NH2 3.12Å; E1064-Y1089 WeakPolarHBondContact OE2-CE2 3.33Å; E1064-Y1089 PolarHBondContact OE2-OH 2.97Å
1065	K	87.8	Confident	87.5	Confident	36 Å²	36	59.5 Å²	59.5	16%	0.157	30%	0.295	C	S	.	.	H	α-helix	trans	-77.4	-41.3	173.3	178.7	54.8	-177.4	135.1	0	112.8	F1061 I1062 L1063 E1067 G1068 I1070 I1072 E1073 L1147	F1061-K1065 WeakPolarHBondContact O-CB 3.34Å; F1061-K1065 PolarHBondContact O-N 2.94Å; I1062-K1065 PolarHBondContact O-N 2.87Å; L1063-K1065 PolarHBondContact O-N 2.87Å; L1063-K1065 VanDerWaalsContact O-N 3.16Å; K1065-E1067 VanDerWaalsContact C-N 3.33Å; K1065-G1068 PolarHBondContact O-N 3.31Å; K1065-I1070 WeakPolarHBondContact CD-O 3.43Å; K1065-I1072 HydrophobicContact CD-CD1 3.83Å; K1065-I1072 HydrophobicContact CD-CG1 4.14Å; K1065-I1072 HydrophobicContact CG-CD1 4.25Å; K1065-E1073 WeakPolarHBondContact CE-OE1 3.46Å; K1065-E1073 IonicContact NZ-OE1 2.8Å; K1065-E1073 PolarHBondContact NZ-OE1 3.32Å; K1065-E1073 IonicContact NZ-OE2 3.86Å; K1065-L1147 HydrophobicContact CB-CD2 4.4Å; K1065-L1147 HydrophobicContact CG-CD1 4.16Å; K1065-L1147 HydrophobicContact CG-CD2 4.11Å
1066	I	86	Confident	87.2	Confident	92 Å²	92	65.4 Å²	65.4	47%	0.472	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-38.1	175.9	-70.6	167	0	0	0	110.7	I1062 L1063 G1068 K1152	I1062-I1066 HydrophobicContact CG2-CD1 3.71Å; I1062-I1066 HydrophobicContact CG2-CG1 4.49Å; I1062-I1066 WeakPolarHBondContact O-CB 3.48Å; I1062-I1066 VanDerWaalsContact O-CG1 3.26Å; I1062-I1066 WeakPolarHBondContact O-CG1 3.38Å; I1062-I1066 PolarHBondContact O-N 3.17Å; L1063-I1066 PolarHBondContact O-N 3.38Å; L1063-I1066 VanDerWaalsContact O-N 3.11Å; I1066-G1068 PolarHBondContact O-N 3.49Å; I1066-K1152 HydrophobicContact CD1-CD 3.98Å; I1066-K1152 HydrophobicContact CD1-CG 4.06Å
1067	E	86.4	Confident	86.7	Confident	131 Å²	131	64.3 Å²	64.3	61%	0.612	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-8	174.4	-68.8	167.6	-171.5	0	0	113.8	L1063 K1065 T1069	L1063-E1067 WeakPolarHBondContact O-CB 3.41Å; L1063-E1067 VanDerWaalsContact O-CG 3.28Å; L1063-E1067 WeakPolarHBondContact O-CG 3.43Å; L1063-E1067 PolarHBondContact O-N 3.4Å; K1065-E1067 VanDerWaalsContact C-N 3.33Å; E1067-T1069 PolarHBondContact O-N 3.12Å
1068	G	82.9	Confident	86.3	Confident	38 Å²	38	69.6 Å²	69.6	39%	0.392	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	6.7	-174.7	0	0	0	0	0	114.7	K1065 I1066	K1065-G1068 PolarHBondContact O-N 3.31Å; I1066-G1068 PolarHBondContact O-N 3.49Å
1069	T	85.9	Confident	86	Confident	56 Å²	56	72.8 Å²	72.8	34%	0.344	36%	0.36	S	S	.	.	S	Bend	trans	-70.6	-33.8	179.7	-67.4	0	0	0	0	112.5	E1064 E1067	E1064-T1069 HydrophobicContact CB-CG2 4.08Å; E1064-T1069 HydrophobicContact CG-CG2 4.06Å; E1064-T1069 CarbonylContact O-C 3.51Å; E1064-T1069 VanDerWaalsContact O-CA 3.32Å; E1064-T1069 WeakPolarHBondContact O-CA 3.42Å; E1064-T1069 VanDerWaalsContact O-CB 3.23Å; E1064-T1069 WeakPolarHBondContact O-CB 3.49Å; E1064-T1069 PolarHBondContact O-N 3.18Å; E1067-T1069 PolarHBondContact O-N 3.12Å
1070	I	84.2	Confident	85.7	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.005	36%	0.362	C	S	.	.	S	Bend	trans	-103.6	136.1	167.1	-75.3	177.3	0	0	0	109.7	F1061 E1064 K1065 I1072 L1084 Y1089	F1061-I1070 HydrophobicContact CD2-CD1 3.81Å; F1061-I1070 HydrophobicContact CE2-CD1 4.32Å; F1061-I1070 HydrophobicContact CE2-CG2 4.16Å; E1064-I1070 HydrophobicContact CB-CB 4.48Å; E1064-I1070 HydrophobicContact CB-CD1 3.92Å; E1064-I1070 HydrophobicContact CB-CG1 3.96Å; E1064-I1070 PolarHBondContact O-N 2.97Å; E1064-I1070 VanDerWaalsContact OE2-CD1 3.32Å; E1064-I1070 WeakPolarHBondContact OE2-CD1 3.1Å; K1065-I1070 WeakPolarHBondContact CD-O 3.43Å; I1070-I1072 HydrophobicContact CG2-CD1 4.34Å; I1070-I1072 HydrophobicContact CG2-CG1 3.94Å; I1070-L1084 HydrophobicContact CD1-CD2 4.13Å; I1070-Y1089 HydrophobicContact CD1-CE2 3.78Å; I1070-Y1089 WeakPolarHBondContact CD1-OH 3.4Å
1071	K	82	Confident	85.3	Confident	133 Å²	133	70.2 Å²	70.2	58%	0.578	35%	0.352	S	S	*	.			trans	-118.7	136.4	177.1	-64.4	-172.2	178.6	-175.9	0	110	L1075	K1071-L1075 WeakPolarHBondContact O-CD1 3.29Å
1072	I	83.2	Confident	85.1	Confident	53 Å²	53	75.6 Å²	75.6	27%	0.272	38%	0.375	S	S	.	.			trans	-128.9	-40.1	-172.6	-50.8	176.6	0	0	0	109.2	F1061 K1065 I1070 N1074 L1075 I1080	F1061-I1072 HydrophobicContact CE1-CD1 4.13Å; F1061-I1072 HydrophobicContact CE2-CD1 4.34Å; F1061-I1072 HydrophobicContact CZ-CD1 3.55Å; K1065-I1072 HydrophobicContact CD-CD1 3.83Å; K1065-I1072 HydrophobicContact CD-CG1 4.14Å; K1065-I1072 HydrophobicContact CG-CD1 4.25Å; I1070-I1072 HydrophobicContact CG2-CD1 4.34Å; I1070-I1072 HydrophobicContact CG2-CG1 3.94Å; I1072-N1074 PolarHBondContact O-N 2.97Å; I1072-L1075 PolarHBondContact O-N 3.3Å; I1072-I1080 HydrophobicContact CG2-CD1 3.99Å
1073	E	81.8	Confident	85	Confident	138 Å²	138	77.8 Å²	77.8	65%	0.645	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	131.8	173.6	-58.4	100.1	-89.4	0	0	112.3	K1065 L1075	K1065-E1073 WeakPolarHBondContact CE-OE1 3.46Å; K1065-E1073 IonicContact NZ-OE1 2.8Å; K1065-E1073 PolarHBondContact NZ-OE1 3.32Å; K1065-E1073 IonicContact NZ-OE2 3.86Å; E1073-L1075 VanDerWaalsContact C-N 3.28Å; E1073-L1075 PolarHBondContact O-N 3.01Å
1074	N	83.4	Confident	85	Confident	172 Å²	172	75.2 Å²	75.2	92%	0.92	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	28.5	174.3	-156.4	24.3	0	0	0	115.8	I1072	I1072-N1074 PolarHBondContact O-N 2.97Å
1075	L	85.1	Confident	84.8	Confident	71 Å²	71	78.2 Å²	78.2	37%	0.372	39%	0.391	S	S	.	.			trans	-114.9	145.8	170.8	-64.1	-176.6	0	0	0	111.9	K1071 I1072 E1073 L1079 I1080	K1071-L1075 WeakPolarHBondContact O-CD1 3.29Å; I1072-L1075 PolarHBondContact O-N 3.3Å; E1073-L1075 VanDerWaalsContact C-N 3.28Å; E1073-L1075 PolarHBondContact O-N 3.01Å; L1075-L1079 HydrophobicContact CD2-CD1 4.4Å; L1075-I1080 HydrophobicContact CB-CD1 4.07Å; L1075-I1080 HydrophobicContact CB-CG1 3.65Å; L1075-I1080 HydrophobicContact CD1-CG1 4.27Å
1076	K	85.3	Confident	84.8	Confident	154 Å²	154	82.3 Å²	82.3	67%	0.67	41%	0.411	S	S	*	.			trans	-69.8	145.5	170.3	-64.7	-172.2	176.8	-172	0	110.4	Q1078 L1079 I1080	K1076-Q1078 PolarHBondContact O-N 2.92Å; K1076-Q1078 VanDerWaalsContact O-N 3.08Å; K1076-L1079 WeakPolarHBondContact O-CB 3.48Å; K1076-L1079 PolarHBondContact O-N 3.16Å; K1076-I1080 PolarHBondContact O-N 3.3Å
1077	K	82.9	Confident	84.9	Confident	83 Å²	83	81.8 Å²	81.8	36%	0.361	40%	0.403	S	S	.	.	H	α-helix	trans	-46.9	-43.2	177.9	-169.2	177.2	-177.2	179.4	0	112.8	L1079 I1080 V1081 L1133 D1137 L1140	K1077-L1079 VanDerWaalsContact C-N 3.35Å; K1077-L1079 PolarHBondContact O-N 3.44Å; K1077-I1080 PolarHBondContact O-N 3.15Å; K1077-V1081 HydrophobicContact CG-CG2 4.35Å; K1077-V1081 WeakPolarHBondContact O-CG2 3.17Å; K1077-V1081 PolarHBondContact O-N 3.16Å; K1077-L1133 HydrophobicContact CD-CB 4.46Å; K1077-L1133 VanDerWaalsContact CE-O 3.24Å; K1077-L1133 WeakPolarHBondContact CE-O 3.44Å; K1077-L1133 PolarHBondContact NZ-O 2.82Å; K1077-D1137 WeakPolarHBondContact CE-OD1 3.43Å; K1077-D1137 IonicContact NZ-OD1 2.83Å; K1077-D1137 PolarHBondContact NZ-OD1 3.44Å; K1077-D1137 IonicContact NZ-OD2 2.7Å; K1077-D1137 PolarHBondContact NZ-OD2 2.95Å; K1077-L1140 HydrophobicContact CG-CD1 4.15Å
1078	Q	82.8	Confident	84.9	Confident	114 Å²	114	83.9 Å²	83.9	53%	0.533	41%	0.41	S	S	.	.	H	α-helix	trans	-56	-40.2	175	-70.5	170.7	-17.3	0	0	114.3	K1076 K1082 L1133	K1076-Q1078 PolarHBondContact O-N 2.92Å; K1076-Q1078 VanDerWaalsContact O-N 3.08Å; Q1078-K1082 WeakPolarHBondContact O-CB 3.48Å; Q1078-K1082 PolarHBondContact O-N 2.97Å; Q1078-L1133 HydrophobicContact CB-CD2 4.45Å; Q1078-L1133 HydrophobicContact CG-CD1 3.89Å; Q1078-L1133 HydrophobicContact CG-CD2 3.97Å
1079	L	84.6	Confident	85.2	Confident	93 Å²	93	82.3 Å²	82.3	49%	0.487	39%	0.392	S	S	.	.	H	α-helix	trans	-74.5	-35.3	178.3	-66.8	174.5	0	0	0	111.9	L1075 K1076 K1077 K1082 Q1083	L1075-L1079 HydrophobicContact CD2-CD1 4.4Å; K1076-L1079 WeakPolarHBondContact O-CB 3.48Å; K1076-L1079 PolarHBondContact O-N 3.16Å; K1077-L1079 VanDerWaalsContact C-N 3.35Å; K1077-L1079 PolarHBondContact O-N 3.44Å; L1079-K1082 PolarHBondContact O-N 2.97Å; L1079-Q1083 PolarHBondContact O-N 2.92Å
1080	I	84.3	Confident	85.3	Confident	13 Å²	13	82.6 Å²	82.6	7%	0.067	39%	0.392	C	S	.	.	H	α-helix	trans	-68	-46.8	176.5	-55	162.1	0	0	0	109.7	I1072 L1075 K1076 K1077 K1082 Q1083 L1084 L1140	I1072-I1080 HydrophobicContact CG2-CD1 3.99Å; L1075-I1080 HydrophobicContact CB-CD1 4.07Å; L1075-I1080 HydrophobicContact CB-CG1 3.65Å; L1075-I1080 HydrophobicContact CD1-CG1 4.27Å; K1076-I1080 PolarHBondContact O-N 3.3Å; K1077-I1080 PolarHBondContact O-N 3.15Å; I1080-K1082 VanDerWaalsContact C-N 3.32Å; I1080-K1082 PolarHBondContact O-N 3.32Å; I1080-Q1083 WeakPolarHBondContact O-CB 3.27Å; I1080-Q1083 PolarHBondContact O-N 2.86Å; I1080-Q1083 VanDerWaalsContact O-N 3.14Å; I1080-L1084 WeakPolarHBondContact O-CG 3.47Å; I1080-L1084 PolarHBondContact O-N 3.31Å; I1080-L1140 HydrophobicContact CG2-CD2 3.6Å
1081	V	84.9	Confident	85.3	Confident	11 Å²	11	84.9 Å²	84.9	7%	0.067	41%	0.407	C	S	.	.	H	α-helix	trans	-59.9	-41.3	173.6	171.4	0	0	0	0	111.2	K1077 Q1083 L1084 V1085 L1133 Y1136 L1140	K1077-V1081 HydrophobicContact CG-CG2 4.35Å; K1077-V1081 WeakPolarHBondContact O-CG2 3.17Å; K1077-V1081 PolarHBondContact O-N 3.16Å; V1081-Q1083 PolarHBondContact O-N 3.18Å; V1081-L1084 WeakPolarHBondContact O-CB 3.22Å; V1081-L1084 PolarHBondContact O-N 3.15Å; V1081-L1084 VanDerWaalsContact O-N 3.14Å; V1081-V1085 HydrophobicContact CG1-CG2 4.46Å; V1081-V1085 WeakPolarHBondContact O-CG2 3.31Å; V1081-V1085 PolarHBondContact O-N 2.9Å; V1081-L1133 HydrophobicContact CB-CD2 3.96Å; V1081-L1133 HydrophobicContact CG1-CD2 4.18Å; V1081-L1133 HydrophobicContact CG2-CD2 3.86Å; V1081-Y1136 HydrophobicContact CG1-CD2 3.64Å; V1081-Y1136 HydrophobicContact CG1-CE2 4.05Å; V1081-Y1136 HydrophobicContact CG1-CG 4.39Å; V1081-Y1136 HydrophobicContact CG2-CD2 4.45Å; V1081-L1140 HydrophobicContact CG2-CD1 3.91Å
1082	K	84.8	Confident	85.6	Confident	120 Å²	120	79.5 Å²	79.5	52%	0.522	38%	0.384	S	S	.	.	H	α-helix	trans	-59.7	-43.2	173.4	-170.7	174.2	-172.2	-86.5	0	112.2	Q1078 L1079 I1080 L1084 V1085 E1086	Q1078-K1082 WeakPolarHBondContact O-CB 3.48Å; Q1078-K1082 PolarHBondContact O-N 2.97Å; L1079-K1082 PolarHBondContact O-N 2.97Å; I1080-K1082 VanDerWaalsContact C-N 3.32Å; I1080-K1082 PolarHBondContact O-N 3.32Å; K1082-L1084 VanDerWaalsContact C-N 3.33Å; K1082-L1084 PolarHBondContact O-N 2.84Å; K1082-V1085 PolarHBondContact O-N 3.02Å; K1082-E1086 WeakPolarHBondContact CE-OE1 3.35Å; K1082-E1086 IonicContact NZ-OE1 2.76Å; K1082-E1086 PolarHBondContact NZ-OE1 3.36Å; K1082-E1086 WeakPolarHBondContact O-CB 3.5Å; K1082-E1086 VanDerWaalsContact O-CG 3.31Å; K1082-E1086 WeakPolarHBondContact O-CG 3.21Å; K1082-E1086 PolarHBondContact O-N 3.33Å
1083	Q	87.2	Confident	85.9	Confident	49 Å²	49	77.7 Å²	77.7	23%	0.229	38%	0.376	C	S	.	.	H	α-helix	trans	-62.1	-38.5	174.1	177	167.8	91.4	0	0	111.9	L1079 I1080 V1081 R1087	L1079-Q1083 PolarHBondContact O-N 2.92Å; I1080-Q1083 WeakPolarHBondContact O-CB 3.27Å; I1080-Q1083 PolarHBondContact O-N 2.86Å; I1080-Q1083 VanDerWaalsContact O-N 3.14Å; V1081-Q1083 PolarHBondContact O-N 3.18Å; Q1083-R1087 HydrophobicContact CG-CG 4.33Å; Q1083-R1087 VanDerWaalsContact O-CB 3.28Å; Q1083-R1087 WeakPolarHBondContact O-CB 3.26Å; Q1083-R1087 WeakPolarHBondContact O-CG 3.38Å; Q1083-R1087 PolarHBondContact O-N 3.08Å
1084	L	88.5	Confident	86.1	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-65.7	-43.7	176.2	-68.9	172.7	0	0	0	112.4	F1061 I1070 I1080 V1081 K1082 R1087 K1088 Y1089 Y1136 L1139 L1140	F1061-L1084 HydrophobicContact CD2-CD2 3.76Å; F1061-L1084 HydrophobicContact CE2-CD2 3.9Å; I1070-L1084 HydrophobicContact CD1-CD2 4.13Å; I1080-L1084 WeakPolarHBondContact O-CG 3.47Å; I1080-L1084 PolarHBondContact O-N 3.31Å; V1081-L1084 WeakPolarHBondContact O-CB 3.22Å; V1081-L1084 PolarHBondContact O-N 3.15Å; V1081-L1084 VanDerWaalsContact O-N 3.14Å; K1082-L1084 VanDerWaalsContact C-N 3.33Å; K1082-L1084 PolarHBondContact O-N 2.84Å; L1084-R1087 CarbonylContact O-C 3.5Å; L1084-R1087 PolarHBondContact O-N 2.66Å; L1084-K1088 PolarHBondContact O-N 2.55Å; L1084-Y1089 HydrophobicContact CB-CD2 4.36Å; L1084-Y1089 HydrophobicContact CB-CG 4.5Å; L1084-Y1089 HydrophobicContact CD2-CD1 4.28Å; L1084-Y1089 HydrophobicContact CD2-CD2 3.59Å; L1084-Y1089 HydrophobicContact CD2-CE2 3.93Å; L1084-Y1089 HydrophobicContact CD2-CG 3.77Å; L1084-Y1089 PolarHBondContact O-N 2.92Å; L1084-Y1136 HydrophobicContact CB-CD1 3.96Å; L1084-Y1136 HydrophobicContact CB-CE1 4.03Å; L1084-Y1136 HydrophobicContact CD1-CD1 3.88Å; L1084-Y1136 HydrophobicContact CD1-CG 4.18Å; L1084-L1139 HydrophobicContact CD1-CD1 4.2Å; L1084-L1139 HydrophobicContact CD2-CD1 4.06Å; L1084-L1140 HydrophobicContact CD1-CD2 4.01Å; L1084-L1140 HydrophobicContact CD1-CG 4.42Å
1085	V	86.4	Confident	86.3	Confident	83 Å²	83	66.9 Å²	66.9	50%	0.503	32%	0.32	S	S	.	.	H	α-helix	trans	-61.7	-48.8	174.4	173.3	0	0	0	0	111	V1081 K1082 R1087 K1088 Y1136	V1081-V1085 HydrophobicContact CG1-CG2 4.46Å; V1081-V1085 WeakPolarHBondContact O-CG2 3.31Å; V1081-V1085 PolarHBondContact O-N 2.9Å; K1082-V1085 PolarHBondContact O-N 3.02Å; V1085-R1087 VanDerWaalsContact C-N 3.28Å; V1085-R1087 PolarHBondContact O-N 2.87Å; V1085-K1088 PolarHBondContact O-N 2.68Å; V1085-Y1136 HydrophobicContact CG2-CE2 3.86Å; V1085-Y1136 WeakPolarHBondContact CG2-OH 3.18Å
1086	E	87.5	Confident	86.3	Confident	123 Å²	123	65.3 Å²	65.3	58%	0.575	31%	0.314	S	S	*	.	H	α-helix	trans	-60.6	-35.8	178	-74.9	173.3	-179.8	0	0	112.5	K1082 K1088	K1082-E1086 WeakPolarHBondContact CE-OE1 3.35Å; K1082-E1086 IonicContact NZ-OE1 2.76Å; K1082-E1086 PolarHBondContact NZ-OE1 3.36Å; K1082-E1086 WeakPolarHBondContact O-CB 3.5Å; K1082-E1086 VanDerWaalsContact O-CG 3.31Å; K1082-E1086 WeakPolarHBondContact O-CG 3.21Å; K1082-E1086 PolarHBondContact O-N 3.33Å; E1086-K1088 VanDerWaalsContact C-N 3.27Å; E1086-K1088 PolarHBondContact O-N 3.02Å
1087	R	88.3	Confident	86.2	Confident	81 Å²	81	59.4 Å²	59.4	31%	0.306	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	6.6	176.5	-64.9	-176.2	75.7	75.2	18.7	113.9	R1060 E1064 Q1083 L1084 V1085 Y1089	R1060-R1087 PolarHBondContact NH1-O 3.14Å; R1060-R1087 PolarHBondContact NH2-O 2.99Å; E1064-R1087 IonicContact OE1-CZ 3.47Å; E1064-R1087 IonicContact OE1-NE 2.93Å; E1064-R1087 IonicContact OE1-NH2 3.87Å; E1064-R1087 PolarHBondContact OE1-NH2 2.81Å; E1064-R1087 IonicContact OE2-CZ 3.91Å; E1064-R1087 IonicContact OE2-NE 3.26Å; E1064-R1087 PolarHBondContact OE2-NE 3.27Å; E1064-R1087 IonicContact OE2-NH2 2.66Å; E1064-R1087 PolarHBondContact OE2-NH2 3.12Å; Q1083-R1087 HydrophobicContact CG-CG 4.33Å; Q1083-R1087 VanDerWaalsContact O-CB 3.28Å; Q1083-R1087 WeakPolarHBondContact O-CB 3.26Å; Q1083-R1087 WeakPolarHBondContact O-CG 3.38Å; Q1083-R1087 PolarHBondContact O-N 3.08Å; L1084-R1087 CarbonylContact O-C 3.5Å; L1084-R1087 PolarHBondContact O-N 2.66Å; V1085-R1087 VanDerWaalsContact C-N 3.28Å; V1085-R1087 PolarHBondContact O-N 2.87Å; R1087-Y1089 HydrophobicContact CB-CD2 3.91Å; R1087-Y1089 HydrophobicContact CB-CE2 3.83Å
1088	K	88	Confident	86.2	Confident	174 Å²	174	61.2 Å²	61.2	76%	0.757	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	56.1	-179.2	-53	178.7	-175.7	178.1	0	112.5	R1060 L1084 V1085 E1086	R1060-K1088 PolarHBondContact NH1-O 2.87Å; R1060-K1088 VanDerWaalsContact NH1-O 3.08Å; L1084-K1088 PolarHBondContact O-N 2.55Å; V1085-K1088 PolarHBondContact O-N 2.68Å; E1086-K1088 VanDerWaalsContact C-N 3.27Å; E1086-K1088 PolarHBondContact O-N 3.02Å
1089	Y	89.2	Confident	86	Confident	5 Å²	5	60.1 Å²	60.1	2%	0.02	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-87.6	137.4	158.8	-74	-96.8	0	0	0	109	N1057 R1060 F1061 E1064 I1070 L1084 R1087 Y1136 L1139	N1057-Y1089 HydrophobicContact CB-CD1 4.2Å; R1060-Y1089 HydrophobicContact CB-CE1 4.21Å; R1060-Y1089 HydrophobicContact CG-CE1 4.2Å; R1060-Y1089 WeakPolarHBondContact CG-OH 3.43Å; R1060-Y1089 PolarHBondContact O-OH 3.2Å; F1061-Y1089 WeakPolarHBondContact CA-OH 3.43Å; F1061-Y1089 HydrophobicContact CB-CE1 3.84Å; F1061-Y1089 PolarHBondContact N-OH 2.87Å; E1064-Y1089 WeakPolarHBondContact OE2-CE2 3.33Å; E1064-Y1089 PolarHBondContact OE2-OH 2.97Å; I1070-Y1089 HydrophobicContact CD1-CE2 3.78Å; I1070-Y1089 WeakPolarHBondContact CD1-OH 3.4Å; L1084-Y1089 HydrophobicContact CB-CD2 4.36Å; L1084-Y1089 HydrophobicContact CB-CG 4.5Å; L1084-Y1089 HydrophobicContact CD2-CD1 4.28Å; L1084-Y1089 HydrophobicContact CD2-CD2 3.59Å; L1084-Y1089 HydrophobicContact CD2-CE2 3.93Å; L1084-Y1089 HydrophobicContact CD2-CG 3.77Å; L1084-Y1089 PolarHBondContact O-N 2.92Å; R1087-Y1089 HydrophobicContact CB-CD2 3.91Å; R1087-Y1089 HydrophobicContact CB-CE2 3.83Å; Y1089-Y1136 WeakPolarHBondContact O-CE1 3.31Å; Y1089-Y1136 PolarHBondContact O-OH 2.84Å; Y1089-L1139 HydrophobicContact CD1-CD1 3.66Å; Y1089-L1139 HydrophobicContact CE1-CD1 4.34Å; Y1089-L1139 HydrophobicContact CG-CD1 4.17Å
1090	D	86.9	Confident	85.6	Confident	63 Å²	63	63.4 Å²	63.4	34%	0.337	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-72.1	140	176.8	-50.8	-64.2	0	0	0	110.1	R1056 N1057 P1093 Y1138	R1056-D1090 IonicContact NH2-OD2 3.35Å; N1057-D1090 WeakPolarHBondContact ND2-CB 3.42Å; N1057-D1090 PolarHBondContact ND2-N 2.84Å; N1057-D1090 PolarHBondContact ND2-OD2 2.85Å; D1090-P1093 HydrophobicContact CB-CG 3.89Å; D1090-Y1138 WeakPolarHBondContact O-CE1 3.39Å; D1090-Y1138 PolarHBondContact O-OH 2.89Å
1091	P	85	Confident	84.9	Confident	49 Å²	49	67.5 Å²	67.5	32%	0.318	32%	0.319	S	S	.	.	S	Bend	trans	-48	139.6	154.8	-26.9	37.6	0	0	0	109.7	P1093 V1096 D1135 Y1136	P1091-P1093 WeakPolarHBondContact O-CD 3.47Å; P1091-V1096 HydrophobicContact CB-CG2 3.93Å; P1091-D1135 HydrophobicContact CB-CB 4.09Å; P1091-Y1136 WeakPolarHBondContact CD-OH 3.49Å; P1091-Y1136 HydrophobicContact CG-CE2 4.4Å
1092	D	88.4	Confident	83.6	Confident	20 Å²	20	72.7 Å²	72.7	11%	0.107	34%	0.338	C	S	.	.			trans	-37	103.8	-168.8	-179.8	-8.1	0	0	0	112.5	R1054 V1094 K1095 V1096 D1135 Y1138	R1054-D1092 IonicContact CZ-OD1 3.45Å; R1054-D1092 IonicContact CZ-OD2 2.7Å; R1054-D1092 IonicContact NH1-OD1 2.74Å; R1054-D1092 PolarHBondContact NH1-OD1 3.2Å; R1054-D1092 IonicContact NH1-OD2 2.7Å; R1054-D1092 PolarHBondContact NH1-OD2 3.01Å; D1092-V1094 PolarHBondContact O-N 2.9Å; D1092-V1094 PolarHBondContact OD1-N 3.21Å; D1092-V1094 VanDerWaalsContact OD1-N 3.12Å; D1092-K1095 HydrophobicContact CB-CB 3.64Å; D1092-K1095 WeakPolarHBondContact O-CA 3.5Å; D1092-K1095 WeakPolarHBondContact O-CB 3.4Å; D1092-K1095 PolarHBondContact O-N 2.9Å; D1092-K1095 PolarHBondContact OD1-N 2.99Å; D1092-V1096 PolarHBondContact O-N 3.2Å; D1092-D1135 PolarHBondContact N-O 3.1Å; D1092-Y1138 VanDerWaalsContact CA-CE1 3.41Å; D1092-Y1138 HydrophobicContact CB-CD1 3.44Å; D1092-Y1138 VanDerWaalsContact CB-CD1 3.44Å; D1092-Y1138 HydrophobicContact CB-CE1 3.88Å; D1092-Y1138 HydrophobicContact CB-CG 3.93Å
1093	P	88	Confident	81.7	Confident	14 Å²	14	68.8 Å²	68.8	9%	0.091	33%	0.325	C	S	.	.	H	α-helix	trans	-59.6	-28.9	-170.2	-30.5	37.4	0	0	0	113.3	A1050 N1053 D1090 P1091 W1097	A1050-P1093 WeakPolarHBondContact O-CB 3.5Å; N1053-P1093 HydrophobicContact CB-CB 3.95Å; N1053-P1093 HydrophobicContact CB-CG 3.9Å; D1090-P1093 HydrophobicContact CB-CG 3.89Å; P1091-P1093 WeakPolarHBondContact O-CD 3.47Å; P1093-W1097 WeakPolarHBondContact O-CB 3.42Å; P1093-W1097 PolarHBondContact O-N 3.04Å
1094	V	87.3	Confident	79.3	Confident	24 Å²	24	71.4 Å²	71.4	15%	0.145	35%	0.347	C	S	.	.	H	α-helix	trans	-78.6	-36	177.6	178.5	0	0	0	0	111	A1050 Q1051 R1054 D1092 K1098	A1050-V1094 HydrophobicContact CB-CG2 4.25Å; Q1051-V1094 HydrophobicContact CG-CG2 4.22Å; R1054-V1094 HydrophobicContact CB-CG2 4.1Å; D1092-V1094 PolarHBondContact O-N 2.9Å; D1092-V1094 PolarHBondContact OD1-N 3.21Å; D1092-V1094 VanDerWaalsContact OD1-N 3.12Å; V1094-K1098 WeakPolarHBondContact O-CB 3.46Å; V1094-K1098 WeakPolarHBondContact O-CG 3.24Å; V1094-K1098 PolarHBondContact O-N 3.01Å
1095	K	86.4	Confident	77	Confident	60 Å²	60	74.7 Å²	74.7	26%	0.261	37%	0.367	S	S	.	.	H	α-helix	trans	-63.9	-52.6	171.9	-171.4	-164.6	177	-158.8	0	110.7	D1092 W1097 K1098 E1099 D1135	D1092-K1095 HydrophobicContact CB-CB 3.64Å; D1092-K1095 WeakPolarHBondContact O-CA 3.5Å; D1092-K1095 WeakPolarHBondContact O-CB 3.4Å; D1092-K1095 PolarHBondContact O-N 2.9Å; D1092-K1095 PolarHBondContact OD1-N 2.99Å; K1095-W1097 VanDerWaalsContact C-N 3.27Å; K1095-W1097 PolarHBondContact O-N 2.86Å; K1095-K1098 WeakPolarHBondContact O-CB 3.44Å; K1095-K1098 PolarHBondContact O-N 2.87Å; K1095-K1098 VanDerWaalsContact O-N 3.07Å; K1095-E1099 WeakPolarHBondContact CE-OE1 3.38Å; K1095-E1099 IonicContact NZ-OE1 3.71Å; K1095-E1099 WeakPolarHBondContact O-CG 3.5Å; K1095-E1099 PolarHBondContact O-N 3.29Å; K1095-D1135 IonicContact NZ-OD1 3.39Å; K1095-D1135 PolarHBondContact NZ-OD1 2.94Å
1096	V	85.2	Confident	74.8	Confident	38 Å²	38	72.2 Å²	72.2	23%	0.23	35%	0.353	C	S	.	.	H	α-helix	trans	-61.5	-35.2	178.8	174.4	0	0	0	0	111.7	P1091 D1092 K1100	P1091-V1096 HydrophobicContact CB-CG2 3.93Å; D1092-V1096 PolarHBondContact O-N 3.2Å; V1096-K1100 HydrophobicContact CG1-CD 4.29Å; V1096-K1100 WeakPolarHBondContact O-CD 3.43Å; V1096-K1100 VanDerWaalsContact O-CG 3.26Å; V1096-K1100 WeakPolarHBondContact O-CG 3.46Å; V1096-K1100 PolarHBondContact O-N 2.89Å; V1096-K1100 VanDerWaalsContact O-N 3.14Å
1097	W	84.5	Confident	72.4	Confident	30 Å²	30	72.6 Å²	72.6	11%	0.114	36%	0.355	C	S	.	.	H	α-helix	trans	-68.9	-46.2	172.3	176.3	97.4	0	0	0	111.4	Y1043 S1046 L1047 A1050 P1093 K1095 E1099 K1100 Q1101	Y1043-W1097 HydrophobicContact CD2-CH2 4.28Å; Y1043-W1097 AromaticContact CD2-CZ2 3.9Å; Y1043-W1097 HydrophobicContact CD2-CZ2 3.9Å; Y1043-W1097 AromaticContact CE2-CH2 3.43Å; Y1043-W1097 HydrophobicContact CE2-CH2 3.43Å; Y1043-W1097 VanDerWaalsContact CE2-CH2 3.43Å; Y1043-W1097 AromaticContact CE2-CZ2 3.52Å; Y1043-W1097 HydrophobicContact CE2-CZ2 3.52Å; Y1043-W1097 AromaticContact CZ-CH2 3.61Å; Y1043-W1097 AromaticContact CZ-CZ2 3.97Å; S1046-W1097 PolarHBondContact OG-NE1 2.91Å; L1047-W1097 HydrophobicContact CB-CH2 4.19Å; L1047-W1097 HydrophobicContact CB-CZ2 3.79Å; L1047-W1097 HydrophobicContact CD1-CE3 4.17Å; L1047-W1097 HydrophobicContact CD1-CH2 3.84Å; L1047-W1097 HydrophobicContact CD1-CZ2 4.19Å; L1047-W1097 HydrophobicContact CD1-CZ3 3.83Å; L1047-W1097 HydrophobicContact CD2-CH2 4.44Å; L1047-W1097 HydrophobicContact CG-CH2 4.38Å; L1047-W1097 HydrophobicContact CG-CZ2 4.46Å; A1050-W1097 HydrophobicContact CB-CB 3.85Å; A1050-W1097 HydrophobicContact CB-CG 4.02Å; P1093-W1097 WeakPolarHBondContact O-CB 3.42Å; P1093-W1097 PolarHBondContact O-N 3.04Å; K1095-W1097 VanDerWaalsContact C-N 3.27Å; K1095-W1097 PolarHBondContact O-N 2.86Å; W1097-E1099 VanDerWaalsContact C-N 3.3Å; W1097-E1099 PolarHBondContact O-N 3.21Å; W1097-K1100 PolarHBondContact O-N 2.82Å; W1097-Q1101 HydrophobicContact CD2-CG 3.99Å; W1097-Q1101 HydrophobicContact CE3-CG 4.19Å; W1097-Q1101 HydrophobicContact CH2-CG 3.94Å; W1097-Q1101 HydrophobicContact CZ2-CG 3.75Å; W1097-Q1101 HydrophobicContact CZ3-CG 4.15Å; W1097-Q1101 WeakPolarHBondContact O-CG 3.43Å; W1097-Q1101 PolarHBondContact O-N 3.24Å
1098	K	82	Confident	70.2	Confident	121 Å²	121	70.4 Å²	70.4	53%	0.526	35%	0.348	S	S	.	.	H	α-helix	trans	-57.3	-42.6	175	-80.7	-175.9	174.1	-166.2	0	111.8	V1094 K1095 K1100 Q1101 R1102	V1094-K1098 WeakPolarHBondContact O-CB 3.46Å; V1094-K1098 WeakPolarHBondContact O-CG 3.24Å; V1094-K1098 PolarHBondContact O-N 3.01Å; K1095-K1098 WeakPolarHBondContact O-CB 3.44Å; K1095-K1098 PolarHBondContact O-N 2.87Å; K1095-K1098 VanDerWaalsContact O-N 3.07Å; K1098-K1100 VanDerWaalsContact C-N 3.31Å; K1098-K1100 PolarHBondContact O-N 2.59Å; K1098-Q1101 PolarHBondContact O-N 2.83Å; K1098-R1102 WeakPolarHBondContact O-CG 3.5Å; K1098-R1102 PolarHBondContact O-N 2.93Å
1099	E	78.2	Confident	68	Low	90 Å²	90	65 Å²	65	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-33	176	-72.1	167.8	170.3	0	0	112.7	K1095 W1097	K1095-E1099 WeakPolarHBondContact CE-OE1 3.38Å; K1095-E1099 IonicContact NZ-OE1 3.71Å; K1095-E1099 WeakPolarHBondContact O-CG 3.5Å; K1095-E1099 PolarHBondContact O-N 3.29Å; W1097-E1099 VanDerWaalsContact C-N 3.3Å; W1097-E1099 PolarHBondContact O-N 3.21Å
1100	K	76.6	Confident	65.6	Low	162 Å²	162	70.1 Å²	70.1	70%	0.704	36%	0.357	S	S	*	.	H	α-helix	trans	-76	-27.5	173.4	-73	167	-176.3	171.9	0	113.7	V1096 W1097 K1098	V1096-K1100 HydrophobicContact CG1-CD 4.29Å; V1096-K1100 WeakPolarHBondContact O-CD 3.43Å; V1096-K1100 VanDerWaalsContact O-CG 3.26Å; V1096-K1100 WeakPolarHBondContact O-CG 3.46Å; V1096-K1100 PolarHBondContact O-N 2.89Å; V1096-K1100 VanDerWaalsContact O-N 3.14Å; W1097-K1100 PolarHBondContact O-N 2.82Å; K1098-K1100 VanDerWaalsContact C-N 3.31Å; K1098-K1100 PolarHBondContact O-N 2.59Å
1101	Q	68.7	Low	63.5	Low	99 Å²	99	72.1 Å²	72.1	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-79.3	-22.1	173	-59.6	-59.5	-17.7	0	0	112.3	W1097 K1098 S1103	W1097-Q1101 HydrophobicContact CD2-CG 3.99Å; W1097-Q1101 HydrophobicContact CE3-CG 4.19Å; W1097-Q1101 HydrophobicContact CH2-CG 3.94Å; W1097-Q1101 HydrophobicContact CZ2-CG 3.75Å; W1097-Q1101 HydrophobicContact CZ3-CG 4.15Å; W1097-Q1101 WeakPolarHBondContact O-CG 3.43Å; W1097-Q1101 PolarHBondContact O-N 3.24Å; K1098-Q1101 PolarHBondContact O-N 2.83Å; Q1101-S1103 PolarHBondContact O-N 3.41Å; Q1101-S1103 VanDerWaalsContact O-N 3.08Å
1102	R	57.6	Low	61.2	Low	121 Å²	121	76.8 Å²	76.8	46%	0.457	38%	0.384	S	S	.	.	S	Bend	trans	-69.8	99.9	172.2	-79.7	175.4	174	179.6	-4.9	110.2	K1098 S1106 E1113	K1098-R1102 WeakPolarHBondContact O-CG 3.5Å; K1098-R1102 PolarHBondContact O-N 2.93Å; R1102-S1106 WeakPolarHBondContact CB-OG 3.12Å; R1102-E1113 IonicContact NH2-OE2 3.05Å
1103	S	46.3	Very low	58.8	Low	38 Å²	38	83.4 Å²	83.4	27%	0.266	42%	0.415	S	S	.	.			trans	-53	148.1	168.8	-179.1	0	0	0	0	110.7	Q1101 T1105 S1106	Q1101-S1103 PolarHBondContact O-N 3.41Å; Q1101-S1103 VanDerWaalsContact O-N 3.08Å; S1103-T1105 PolarHBondContact O-N 3.1Å; S1103-T1105 PolarHBondContact OG-N 3.11Å; S1103-T1105 PolarHBondContact OG-OG1 3.43Å; S1103-S1106 WeakPolarHBondContact O-CB 3.32Å; S1103-S1106 PolarHBondContact O-N 3.36Å; S1103-S1106 PolarHBondContact O-OG 2.94Å
1104	P	37.4	Very low	56.2	Low	104 Å²	104	84.7 Å²	84.7	68%	0.675	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-15.2	170.9	-27.5	36.2	0	0	0	115.2	S1106	P1104-S1106 VanDerWaalsContact C-N 3.31Å
1105	T	39.2	Very low	53.6	Low	70 Å²	70	92.3 Å²	92.3	43%	0.429	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.3	172.7	-9.4	0	0	0	0	114.5	S1103 D1582	S1103-T1105 PolarHBondContact O-N 3.1Å; S1103-T1105 PolarHBondContact OG-N 3.11Å; S1103-T1105 PolarHBondContact OG-OG1 3.43Å; T1105-D1582 HydrophobicContact CG2-CB 3.63Å
1106	S	40.8	Very low	51	Low	30 Å²	30	99 Å²	99	21%	0.21	50%	0.496	C	S	.	.	G	3₁₀ helix	trans	-97.7	17.6	-164.1	64.3	0	0	0	0	116.6	R1102 S1103 P1104 E1108 V1109	R1102-S1106 WeakPolarHBondContact CB-OG 3.12Å; S1103-S1106 WeakPolarHBondContact O-CB 3.32Å; S1103-S1106 PolarHBondContact O-N 3.36Å; S1103-S1106 PolarHBondContact O-OG 2.94Å; P1104-S1106 VanDerWaalsContact C-N 3.31Å; S1106-E1108 PolarHBondContact O-N 2.86Å; S1106-V1109 PolarHBondContact O-N 2.96Å
1107	E	36.5	Very low	48.4	Very low	131 Å²	131	105.3 Å²	105.3	61%	0.612	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-58.4	-27.3	173.4	-67.7	-172	144.8	0	0	112.8	V1109 L1110	E1107-V1109 PolarHBondContact O-N 2.91Å; E1107-L1110 PolarHBondContact O-N 3.04Å
1108	E	42.1	Very low	45.7	Very low	36 Å²	36	113.6 Å²	113.6	17%	0.168	56%	0.563	C	S	.	*	G	3₁₀ helix	trans	-64.4	-21.4	-179	-141.8	136.5	-135.4	0	0	113.2	K606 W612 N840 S1106 L1110	K606-E1108 VanDerWaalsContact NZ-CD 3.26Å; K606-E1108 IonicContact NZ-OE1 2.71Å; K606-E1108 PolarHBondContact NZ-OE1 2.89Å; K606-E1108 IonicContact NZ-OE2 3.29Å; K606-E1108 PolarHBondContact NZ-OE2 2.7Å; W612-E1108 HydrophobicContact CH2-CB 4.46Å; W612-E1108 HydrophobicContact CH2-CG 4.08Å; W612-E1108 WeakPolarHBondContact CH2-OE1 3.49Å; W612-E1108 WeakPolarHBondContact CZ3-OE1 3.43Å; N840-E1108 HydrophobicContact CB-CG 4.47Å; N840-E1108 VanDerWaalsContact CG-OE1 3.31Å; N840-E1108 PolarHBondContact ND2-OE1 2.84Å; S1106-E1108 PolarHBondContact O-N 2.86Å; E1108-L1110 VanDerWaalsContact C-N 3.3Å; E1108-L1110 PolarHBondContact O-N 3.42Å
1109	V	41.6	Very low	43.2	Very low	59 Å²	59	112.5 Å²	112.5	36%	0.358	58%	0.577	S	S	.	*	G	3₁₀ helix	trans	-76.6	-14.4	-178.3	-175	0	0	0	0	112.9	S1106 E1107 L1111	S1106-V1109 PolarHBondContact O-N 2.96Å; E1107-V1109 PolarHBondContact O-N 2.91Å; V1109-L1111 PolarHBondContact O-N 2.61Å; V1109-L1111 VanDerWaalsContact O-N 3.15Å
1110	L	39.7	Very low	41	Very low	114 Å²	114	114.6 Å²	114.6	60%	0.597	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-69.9	-5.7	179.6	-79.5	163.1	0	0	0	114.4	E1107 E1108	E1107-L1110 PolarHBondContact O-N 3.04Å; E1108-L1110 VanDerWaalsContact C-N 3.3Å; E1108-L1110 PolarHBondContact O-N 3.42Å
1111	L	41.3	Very low	38.8	Very low	104 Å²	104	112.4 Å²	112.4	55%	0.545	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-94.1	-23.4	-174.9	-65.2	171.5	0	0	0	114.6	V1109	V1109-L1111 PolarHBondContact O-N 2.61Å; V1109-L1111 VanDerWaalsContact O-N 3.15Å
1112	E	38.6	Very low	36.8	Very low	148 Å²	148	111.1 Å²	111.1	69%	0.692	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-24.1	-178.5	-68.2	-171.2	157.4	0	0	114
1113	E	36.2	Very low	35.5	Very low	159 Å²	159	115.1 Å²	115.1	74%	0.743	64%	0.638	S	S	*	*	S	Bend	trans	-97.2	11	175.7	-64.2	-171.5	148.8	0	0	112.9	R1102	R1102-E1113 IonicContact NH2-OE2 3.05Å
1114	G	34.2	Very low	34.7	Very low	40 Å²	40	120 Å²	120	41%	0.412	67%	0.667	S	S	.	*			trans	-121.3	-9.3	-164.8	0	0	0	0	0	117.9	E1116	G1114-E1116 VanDerWaalsContact C-N 3.3Å; G1114-E1116 PolarHBondContact O-N 2.9Å
1115	E	32.4	Very low	34.3	Very low	185 Å²	185	120.6 Å²	120.6	86%	0.864	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	7.1	-170.8	-62.3	-160.9	135.7	0	0	115.3
1116	E	31.8	Very low	34.1	Very low	199 Å²	199	125.1 Å²	125.1	93%	0.93	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	2.5	177.8	-67.5	-164.6	149.8	0	0	115.4	G1114	G1114-E1116 VanDerWaalsContact C-N 3.3Å; G1114-E1116 PolarHBondContact O-N 2.9Å
1117	E	30.5	Very low	33.9	Very low	171 Å²	171	126 Å²	126	80%	0.799	70%	0.703	S	S	*	*	S	Bend	trans	-119.5	112	171.4	-72.7	-164.9	162.9	0	0	112.7
1118	E	27.6	Very low	34.4	Very low	204 Å²	204	124.2 Å²	124.2	95%	0.953	71%	0.705	S	S	*	*			trans	-66.4	130.4	174.1	-63.5	-172.9	133.9	0	0	112.3
1119	A	31.1	Very low	34.6	Very low	98 Å²	98	126.4 Å²	126.4	81%	0.81	72%	0.72	S	S	*	*			trans	-145.1	102.5	167.3	0	0	0	0	0	113
1120	T	32.1	Very low	35.1	Very low	134 Å²	134	129.3 Å²	129.3	82%	0.822	73%	0.73	S	S	*	*			trans	-61.9	134.1	173	49.5	0	0	0	0	113.6
1121	S	28.6	Very low	35.9	Very low	116 Å²	116	126.3 Å²	126.3	81%	0.811	72%	0.722	S	S	*	*			trans	25.1	127.4	143.7	63.1	0	0	0	0	120.6
1122	G	27.5	Very low	36.8	Very low	73 Å²	73	127.5 Å²	127.5	75%	0.753	72%	0.724	S	S	*	*			trans	163.7	134.8	153.1	0	0	0	0	0	116.9
1123	E	29.7	Very low	38.2	Very low	204 Å²	204	121.7 Å²	121.7	95%	0.953	70%	0.698	S	S	*	*			trans	-33.7	126.3	173.3	-60.1	177.3	143.6	0	0	116.4
1124	V	29.9	Very low	40.1	Very low	142 Å²	142	121.8 Å²	121.8	86%	0.861	69%	0.691	S	S	*	*			trans	-90.7	105.4	-176.5	-179.7	0	0	0	0	111.9
1125	S	30	Very low	42.4	Very low	115 Å²	115	121 Å²	121	80%	0.804	68%	0.678	S	S	*	*	S	Bend	trans	-148.1	11.4	159.4	79.4	0	0	0	0	117.7
1126	E	33.2	Very low	45.1	Very low	166 Å²	166	112.8 Å²	112.8	78%	0.776	64%	0.639	S	S	*	*	S	Bend	trans	-126	-5.5	176.8	-64	-159.3	139.8	0	0	115.5	S1128 V1129	E1126-S1128 VanDerWaalsContact C-N 3.26Å; E1126-S1128 PolarHBondContact O-N 3.41Å; E1126-V1129 PolarHBondContact O-N 3.37Å
1127	G	37.4	Very low	47.6	Very low	49 Å²	49	105.5 Å²	105.5	51%	0.505	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.6	-5.3	-161.5	0	0	0	0	0	119.1
1128	S	46.5	Very low	50.4	Low	92 Å²	92	97.8 Å²	97.8	64%	0.643	57%	0.57	S	S	*	*	H	α-helix	trans	-73.4	-27.4	179.7	59.8	0	0	0	0	113.6	E1126	E1126-S1128 VanDerWaalsContact C-N 3.26Å; E1126-S1128 PolarHBondContact O-N 3.41Å
1129	V	46.1	Very low	53.3	Low	82 Å²	82	88.2 Å²	88.2	50%	0.497	53%	0.525	S	S	.	.	H	α-helix	trans	-78.5	-38.8	-180	-178.6	0	0	0	0	111.1	E1126 H1132 L1133	E1126-V1129 PolarHBondContact O-N 3.37Å; V1129-H1132 PolarHBondContact O-N 3.34Å; V1129-L1133 WeakPolarHBondContact O-CG 3.37Å; V1129-L1133 PolarHBondContact O-N 3.31Å
1130	E	53.5	Low	55.9	Low	121 Å²	121	85.8 Å²	85.8	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-68.3	-36.3	-178.8	-65.9	-152.3	126.6	0	0	113.4	H1132 L1133 R1134	E1130-H1132 VanDerWaalsContact C-N 3.31Å; E1130-H1132 PolarHBondContact O-N 3.02Å; E1130-L1133 WeakPolarHBondContact O-CB 3.34Å; E1130-L1133 PolarHBondContact O-N 2.98Å; E1130-R1134 PolarHBondContact O-N 3.34Å
1131	A	55.4	Low	58.4	Low	51 Å²	51	83.9 Å²	83.9	42%	0.421	49%	0.491	S	S	.	.	H	α-helix	trans	-52.9	-49.9	175.1	0	0	0	0	0	111.3	L1133 R1134 D1135	A1131-L1133 PolarHBondContact O-N 3.41Å; A1131-R1134 PolarHBondContact O-N 2.86Å; A1131-R1134 VanDerWaalsContact O-N 3.1Å; A1131-D1135 PolarHBondContact O-N 3.18Å
1132	H	61.8	Low	61.1	Low	128 Å²	128	80.2 Å²	80.2	59%	0.593	46%	0.461	S	S	*	.	H	α-helix	trans	-67.9	-17.2	177.2	-71.9	-40.6	0	0	0	114.9	V1129 E1130 D1135	V1129-H1132 PolarHBondContact O-N 3.34Å; E1130-H1132 VanDerWaalsContact C-N 3.31Å; E1130-H1132 PolarHBondContact O-N 3.02Å; H1132-D1135 WeakPolarHBondContact CA-OD2 3.16Å; H1132-D1135 IonicContact ND1-OD2 3.02Å; H1132-D1135 PolarHBondContact ND1-OD2 3.28Å
1133	L	67	Low	63.9	Low	27 Å²	27	80 Å²	80	14%	0.141	45%	0.452	C	S	.	.	H	α-helix	trans	-80.8	-26.7	171.7	-64.6	176.3	0	0	0	112.5	K1077 Q1078 V1081 V1129 E1130 A1131 D1135	K1077-L1133 HydrophobicContact CD-CB 4.46Å; K1077-L1133 VanDerWaalsContact CE-O 3.24Å; K1077-L1133 WeakPolarHBondContact CE-O 3.44Å; K1077-L1133 PolarHBondContact NZ-O 2.82Å; Q1078-L1133 HydrophobicContact CB-CD2 4.45Å; Q1078-L1133 HydrophobicContact CG-CD1 3.89Å; Q1078-L1133 HydrophobicContact CG-CD2 3.97Å; V1081-L1133 HydrophobicContact CB-CD2 3.96Å; V1081-L1133 HydrophobicContact CG1-CD2 4.18Å; V1081-L1133 HydrophobicContact CG2-CD2 3.86Å; V1129-L1133 WeakPolarHBondContact O-CG 3.37Å; V1129-L1133 PolarHBondContact O-N 3.31Å; E1130-L1133 WeakPolarHBondContact O-CB 3.34Å; E1130-L1133 PolarHBondContact O-N 2.98Å; A1131-L1133 PolarHBondContact O-N 3.41Å; L1133-D1135 VanDerWaalsContact C-N 3.35Å
1134	R	76.8	Confident	66.4	Low	160 Å²	160	76 Å²	76	60%	0.604	44%	0.441	S	S	*	.	H	α-helix	trans	-77.2	-20.6	176.3	-62.4	-173.3	-170.2	-150.9	4.2	112.9	E1130 A1131 Y1136 D1137	E1130-R1134 PolarHBondContact O-N 3.34Å; A1131-R1134 PolarHBondContact O-N 2.86Å; A1131-R1134 VanDerWaalsContact O-N 3.1Å; R1134-Y1136 PolarHBondContact O-N 3.45Å; R1134-D1137 WeakPolarHBondContact CA-OD2 3.15Å; R1134-D1137 PolarHBondContact O-N 3.29Å
1135	D	82.7	Confident	69.1	Low	23 Å²	23	75.4 Å²	75.4	12%	0.123	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21	-178.4	-72.3	-21.3	0	0	0	114.9	P1091 D1092 K1095 A1131 H1132 L1133	P1091-D1135 HydrophobicContact CB-CB 4.09Å; D1092-D1135 PolarHBondContact N-O 3.1Å; K1095-D1135 IonicContact NZ-OD1 3.39Å; K1095-D1135 PolarHBondContact NZ-OD1 2.94Å; A1131-D1135 PolarHBondContact O-N 3.18Å; H1132-D1135 WeakPolarHBondContact CA-OD2 3.16Å; H1132-D1135 IonicContact ND1-OD2 3.02Å; H1132-D1135 PolarHBondContact ND1-OD2 3.28Å; L1133-D1135 VanDerWaalsContact C-N 3.35Å
1136	Y	87.4	Confident	71.7	Confident	14 Å²	14	73.1 Å²	73.1	6%	0.055	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	3.1	-177	-73.1	-82.3	0	0	0	113.8	V1081 L1084 V1085 Y1089 P1091 R1134 Y1138 L1139 L1140	V1081-Y1136 HydrophobicContact CG1-CD2 3.64Å; V1081-Y1136 HydrophobicContact CG1-CE2 4.05Å; V1081-Y1136 HydrophobicContact CG1-CG 4.39Å; V1081-Y1136 HydrophobicContact CG2-CD2 4.45Å; L1084-Y1136 HydrophobicContact CB-CD1 3.96Å; L1084-Y1136 HydrophobicContact CB-CE1 4.03Å; L1084-Y1136 HydrophobicContact CD1-CD1 3.88Å; L1084-Y1136 HydrophobicContact CD1-CG 4.18Å; V1085-Y1136 HydrophobicContact CG2-CE2 3.86Å; V1085-Y1136 WeakPolarHBondContact CG2-OH 3.18Å; Y1089-Y1136 WeakPolarHBondContact O-CE1 3.31Å; Y1089-Y1136 PolarHBondContact O-OH 2.84Å; P1091-Y1136 WeakPolarHBondContact CD-OH 3.49Å; P1091-Y1136 HydrophobicContact CG-CE2 4.4Å; R1134-Y1136 PolarHBondContact O-N 3.45Å; Y1136-Y1138 PolarHBondContact O-N 2.96Å; Y1136-Y1138 VanDerWaalsContact O-N 3.15Å; Y1136-L1139 PolarHBondContact O-N 2.9Å; Y1136-L1140 PolarHBondContact O-N 3.33Å
1137	D	85.8	Confident	74.1	Confident	45 Å²	45	68.2 Å²	68.2	24%	0.241	39%	0.387	C	S	.	.	H	α-helix	trans	-64.8	-23.2	-174	-78.1	-30.5	0	0	0	113.3	K1077 R1134 L1139 L1140 S1141	K1077-D1137 WeakPolarHBondContact CE-OD1 3.43Å; K1077-D1137 IonicContact NZ-OD1 2.83Å; K1077-D1137 PolarHBondContact NZ-OD1 3.44Å; K1077-D1137 IonicContact NZ-OD2 2.7Å; K1077-D1137 PolarHBondContact NZ-OD2 2.95Å; R1134-D1137 WeakPolarHBondContact CA-OD2 3.15Å; R1134-D1137 PolarHBondContact O-N 3.29Å; D1137-L1139 PolarHBondContact O-N 3.4Å; D1137-L1140 PolarHBondContact O-N 3.46Å; D1137-L1140 VanDerWaalsContact O-N 3.07Å; D1137-S1141 WeakPolarHBondContact O-CB 3.46Å; D1137-S1141 PolarHBondContact O-N 2.91Å; D1137-S1141 PolarHBondContact O-OG 2.87Å
1138	Y	88.7	Confident	76.5	Confident	10 Å²	10	67.8 Å²	67.8	4%	0.039	38%	0.376	C	S	.	.	H	α-helix	trans	-59.7	-15.6	171.3	84.1	-77.9	0	0	0	115.4	R1054 N1057 Q1058 D1090 D1092 Y1136 M1142	R1054-Y1138 HydrophobicContact CG-CD2 3.71Å; R1054-Y1138 HydrophobicContact CG-CE2 3.93Å; N1057-Y1138 HydrophobicContact CB-CE2 4.1Å; N1057-Y1138 WeakPolarHBondContact CB-OH 3.27Å; N1057-Y1138 PolarHBondContact ND2-OH 3.49Å; N1057-Y1138 VanDerWaalsContact ND2-OH 3.11Å; Q1058-Y1138 HydrophobicContact CG-CD2 4.07Å; Q1058-Y1138 HydrophobicContact CG-CE2 4.29Å; Q1058-Y1138 PolarHBondContact NE2-O 2.87Å; D1090-Y1138 WeakPolarHBondContact O-CE1 3.39Å; D1090-Y1138 PolarHBondContact O-OH 2.89Å; D1092-Y1138 VanDerWaalsContact CA-CE1 3.41Å; D1092-Y1138 HydrophobicContact CB-CD1 3.44Å; D1092-Y1138 VanDerWaalsContact CB-CD1 3.44Å; D1092-Y1138 HydrophobicContact CB-CE1 3.88Å; D1092-Y1138 HydrophobicContact CB-CG 3.93Å; Y1136-Y1138 PolarHBondContact O-N 2.96Å; Y1136-Y1138 VanDerWaalsContact O-N 3.15Å; Y1138-M1142 WeakPolarHBondContact O-CG 2.99Å
1139	L	88.6	Confident	78.5	Confident	2 Å²	2	69 Å²	69	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-102.2	-37.8	170.5	-58.4	178.1	0	0	0	111.6	Q1058 F1061 L1084 Y1089 Y1136 D1137 M1142	Q1058-L1139 HydrophobicContact CB-CD2 4.42Å; Q1058-L1139 HydrophobicContact CG-CD2 3.74Å; F1061-L1139 HydrophobicContact CB-CD2 3.98Å; F1061-L1139 HydrophobicContact CD1-CB 4.46Å; F1061-L1139 HydrophobicContact CD2-CB 4.09Å; F1061-L1139 HydrophobicContact CD2-CD1 4.13Å; F1061-L1139 HydrophobicContact CE1-CB 4.48Å; F1061-L1139 WeakPolarHBondContact CE1-O 3.48Å; F1061-L1139 HydrophobicContact CE2-CB 4.13Å; F1061-L1139 HydrophobicContact CG-CB 4.24Å; F1061-L1139 HydrophobicContact CG-CD1 4.5Å; F1061-L1139 HydrophobicContact CG-CD2 4.26Å; F1061-L1139 HydrophobicContact CZ-CB 4.3Å; L1084-L1139 HydrophobicContact CD1-CD1 4.2Å; L1084-L1139 HydrophobicContact CD2-CD1 4.06Å; Y1089-L1139 HydrophobicContact CD1-CD1 3.66Å; Y1089-L1139 HydrophobicContact CE1-CD1 4.34Å; Y1089-L1139 HydrophobicContact CG-CD1 4.17Å; Y1136-L1139 PolarHBondContact O-N 2.9Å; D1137-L1139 PolarHBondContact O-N 3.4Å; L1139-M1142 HydrophobicContact CD2-CE 4.39Å
1140	L	85.5	Confident	80.5	Confident	47 Å²	47	72.8 Å²	72.8	25%	0.246	39%	0.387	C	S	.	.	H	α-helix	trans	-83.1	-25.7	-171.4	-57.3	179.5	0	0	0	114.2	F1061 K1077 I1080 V1081 L1084 Y1136 D1137	F1061-L1140 HydrophobicContact CE2-CD2 4.48Å; F1061-L1140 HydrophobicContact CZ-CD2 4.36Å; K1077-L1140 HydrophobicContact CG-CD1 4.15Å; I1080-L1140 HydrophobicContact CG2-CD2 3.6Å; V1081-L1140 HydrophobicContact CG2-CD1 3.91Å; L1084-L1140 HydrophobicContact CD1-CD2 4.01Å; L1084-L1140 HydrophobicContact CD1-CG 4.42Å; Y1136-L1140 PolarHBondContact O-N 3.33Å; D1137-L1140 PolarHBondContact O-N 3.46Å; D1137-L1140 VanDerWaalsContact O-N 3.07Å
1141	S	85.3	Confident	82.2	Confident	95 Å²	95	68.8 Å²	68.8	66%	0.664	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	5.3	175.3	72	0	0	0	0	113.6	D1137 A1143	D1137-S1141 WeakPolarHBondContact O-CB 3.46Å; D1137-S1141 PolarHBondContact O-N 2.91Å; D1137-S1141 PolarHBondContact O-OG 2.87Å; S1141-A1143 PolarHBondContact O-N 3.14Å
1142	M	84.8	Confident	83.8	Confident	39 Å²	39	68 Å²	68	19%	0.192	36%	0.356	C	S	.	.			trans	-65.4	120.9	176.6	-66.5	-160.1	-62.9	0	0	110.7	Q1058 F1061 I1062 Y1138 L1139 V1144	Q1058-M1142 HydrophobicContact CB-CE 4.43Å; Q1058-M1142 HydrophobicContact CB-SD 4.01Å; Q1058-M1142 HydrophobicContact CG-CE 4.34Å; Q1058-M1142 HydrophobicContact CG-SD 3.66Å; F1061-M1142 HydrophobicContact CD1-CE 3.35Å; F1061-M1142 HydrophobicContact CE1-CE 3.79Å; F1061-M1142 HydrophobicContact CG-CE 4.27Å; I1062-M1142 HydrophobicContact CD1-CE 4.15Å; I1062-M1142 HydrophobicContact CD1-SD 4.44Å; I1062-M1142 HydrophobicContact CG1-CE 3.9Å; Y1138-M1142 WeakPolarHBondContact O-CG 2.99Å; L1139-M1142 HydrophobicContact CD2-CE 4.39Å; M1142-V1144 PolarHBondContact O-N 2.82Å
1143	A	85.2	Confident	85.2	Confident	68 Å²	68	64.7 Å²	64.7	56%	0.562	34%	0.342	S	S	*	.			trans	-54.8	138	177	0	0	0	0	0	111.5	S1141 L1145 K1146	S1141-A1143 PolarHBondContact O-N 3.14Å; A1143-L1145 PolarHBondContact O-N 3.45Å; A1143-K1146 VanDerWaalsContact O-CB 3.27Å; A1143-K1146 WeakPolarHBondContact O-CB 3.42Å; A1143-K1146 WeakPolarHBondContact O-CG 3.26Å; A1143-K1146 PolarHBondContact O-N 3.37Å
1144	V	83.2	Confident	86.4	Confident	119 Å²	119	67.2 Å²	67.2	72%	0.721	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-55.1	-29	-174.7	-178	0	0	0	0	112.7	M1142 K1146 L1147	M1142-V1144 PolarHBondContact O-N 2.82Å; V1144-K1146 PolarHBondContact O-N 3.3Å; V1144-K1146 VanDerWaalsContact O-N 3.12Å; V1144-L1147 HydrophobicContact CG1-CD1 4.41Å; V1144-L1147 WeakPolarHBondContact O-CB 3.25Å; V1144-L1147 PolarHBondContact O-N 3.11Å
1145	L	86.4	Confident	87	Confident	131 Å²	131	59.9 Å²	59.9	69%	0.686	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-55.9	-24.9	173.8	-170.8	64.1	0	0	0	113.5	A1143 L1147 S1148	A1143-L1145 PolarHBondContact O-N 3.45Å; L1145-L1147 PolarHBondContact O-N 3.49Å; L1145-S1148 WeakPolarHBondContact O-CB 3.36Å; L1145-S1148 PolarHBondContact O-N 3.01Å; L1145-S1148 PolarHBondContact O-OG 3.3Å
1146	K	84.2	Confident	87.4	Confident	67 Å²	67	60.2 Å²	60.2	29%	0.291	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-65.7	-13.9	173.8	-65.7	-59.8	-160.5	164	0	114.2	I1062 A1143 V1144 S1148 E1151 I1155	I1062-K1146 HydrophobicContact CD1-CB 4.3Å; A1143-K1146 VanDerWaalsContact O-CB 3.27Å; A1143-K1146 WeakPolarHBondContact O-CB 3.42Å; A1143-K1146 WeakPolarHBondContact O-CG 3.26Å; A1143-K1146 PolarHBondContact O-N 3.37Å; V1144-K1146 PolarHBondContact O-N 3.3Å; V1144-K1146 VanDerWaalsContact O-N 3.12Å; K1146-S1148 VanDerWaalsContact C-N 3.33Å; K1146-E1151 HydrophobicContact CD-CB 4.03Å; K1146-E1151 HydrophobicContact CD-CG 4.17Å; K1146-E1151 VanDerWaalsContact CD-OE2 3.24Å; K1146-E1151 WeakPolarHBondContact CD-OE2 3.37Å; K1146-E1151 WeakPolarHBondContact CE-OE2 2.93Å; K1146-E1151 IonicContact NZ-OE2 2.79Å; K1146-E1151 PolarHBondContact NZ-OE2 2.96Å; K1146-I1155 HydrophobicContact CD-CD1 3.91Å
1147	L	84.2	Confident	87.7	Confident	62 Å²	62	67.1 Å²	67.1	33%	0.325	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-84.7	-4.9	172	-55.2	179.2	0	0	0	113.1	I1062 K1065 V1144 L1145	I1062-L1147 HydrophobicContact CB-CD2 4.34Å; I1062-L1147 HydrophobicContact CG1-CD2 4.14Å; I1062-L1147 HydrophobicContact CG2-CD2 4Å; K1065-L1147 HydrophobicContact CB-CD2 4.4Å; K1065-L1147 HydrophobicContact CG-CD1 4.16Å; K1065-L1147 HydrophobicContact CG-CD2 4.11Å; V1144-L1147 HydrophobicContact CG1-CD1 4.41Å; V1144-L1147 WeakPolarHBondContact O-CB 3.25Å; V1144-L1147 PolarHBondContact O-N 3.11Å; L1145-L1147 PolarHBondContact O-N 3.49Å
1148	S	87.8	Confident	88	Confident	40 Å²	40	68.2 Å²	68.2	28%	0.28	36%	0.358	S	S	.	.	S	Bend	trans	-66.5	155.7	173.5	66.3	0	0	0	0	111.5	L1145 K1146 E1150 E1151 K1152	L1145-S1148 WeakPolarHBondContact O-CB 3.36Å; L1145-S1148 PolarHBondContact O-N 3.01Å; L1145-S1148 PolarHBondContact O-OG 3.3Å; K1146-S1148 VanDerWaalsContact C-N 3.33Å; S1148-E1150 VanDerWaalsContact C-N 3.32Å; S1148-E1150 PolarHBondContact O-N 3.15Å; S1148-E1151 PolarHBondContact O-N 2.96Å; S1148-E1151 WeakPolarHBondContact OG-CB 3.47Å; S1148-E1151 PolarHBondContact OG-N 2.87Å; S1148-K1152 VanDerWaalsContact O-CB 3.22Å; S1148-K1152 WeakPolarHBondContact O-CB 3.43Å; S1148-K1152 PolarHBondContact O-N 3.33Å
1149	L	87.5	Confident	88.2	Confident	119 Å²	119	70.4 Å²	70.4	62%	0.623	37%	0.367	S	S	*	.	H	α-helix	trans	-57.9	-45	-178.4	-177.7	60.7	0	0	0	111.9	K1152 D1153	L1149-K1152 PolarHBondContact O-N 2.86Å; L1149-D1153 WeakPolarHBondContact CD1-OD2 3.46Å; L1149-D1153 WeakPolarHBondContact O-CB 3.31Å; L1149-D1153 PolarHBondContact O-N 3.29Å
1150	E	89.2	Confident	88.4	Confident	160 Å²	160	73 Å²	73	75%	0.748	38%	0.38	S	S	*	.	H	α-helix	trans	-64.2	-46.3	-178.2	-63.3	178.1	-172.2	0	0	112.6	S1148 K1154	S1148-E1150 VanDerWaalsContact C-N 3.32Å; S1148-E1150 PolarHBondContact O-N 3.15Å; E1150-K1154 WeakPolarHBondContact O-CB 3.33Å; E1150-K1154 PolarHBondContact O-N 3.39Å
1151	E	88.7	Confident	88.8	Confident	37 Å²	37	73.5 Å²	73.5	17%	0.173	39%	0.388	C	S	.	.	H	α-helix	trans	-74.3	-30	178.2	-75.9	-71.6	145.1	0	0	112.7	K1146 S1148 K1154 I1155	K1146-E1151 HydrophobicContact CD-CB 4.03Å; K1146-E1151 HydrophobicContact CD-CG 4.17Å; K1146-E1151 VanDerWaalsContact CD-OE2 3.24Å; K1146-E1151 WeakPolarHBondContact CD-OE2 3.37Å; K1146-E1151 WeakPolarHBondContact CE-OE2 2.93Å; K1146-E1151 IonicContact NZ-OE2 2.79Å; K1146-E1151 PolarHBondContact NZ-OE2 2.96Å; S1148-E1151 PolarHBondContact O-N 2.96Å; S1148-E1151 WeakPolarHBondContact OG-CB 3.47Å; S1148-E1151 PolarHBondContact OG-N 2.87Å; E1151-K1154 PolarHBondContact O-N 2.97Å; E1151-K1154 WeakPolarHBondContact OE1-CD 3.4Å; E1151-K1154 IonicContact OE1-NZ 2.79Å; E1151-K1154 PolarHBondContact OE1-NZ 2.91Å; E1151-K1154 IonicContact OE2-NZ 2.69Å; E1151-I1155 WeakPolarHBondContact O-CB 3.32Å; E1151-I1155 WeakPolarHBondContact O-CG1 3.22Å; E1151-I1155 PolarHBondContact O-N 2.81Å
1152	K	88.5	Confident	89	Confident	36 Å²	36	71.7 Å²	71.7	16%	0.157	37%	0.368	C	S	.	.	H	α-helix	trans	-62.4	-51.1	169.5	-171.3	-141.7	86	-146	0	110.7	I1062 L1063 I1066 S1148 L1149 K1154 I1155 L1156	I1062-K1152 HydrophobicContact CG2-CB 4.22Å; I1062-K1152 HydrophobicContact CG2-CG 3.8Å; L1063-K1152 HydrophobicContact CD2-CD 4.07Å; I1066-K1152 HydrophobicContact CD1-CD 3.98Å; I1066-K1152 HydrophobicContact CD1-CG 4.06Å; S1148-K1152 VanDerWaalsContact O-CB 3.22Å; S1148-K1152 WeakPolarHBondContact O-CB 3.43Å; S1148-K1152 PolarHBondContact O-N 3.33Å; L1149-K1152 PolarHBondContact O-N 2.86Å; K1152-K1154 VanDerWaalsContact C-N 3.28Å; K1152-K1154 PolarHBondContact O-N 3.32Å; K1152-I1155 PolarHBondContact O-N 3.11Å; K1152-L1156 HydrophobicContact CD-CD1 4.47Å; K1152-L1156 VanDerWaalsContact CE-CD1 3.48Å; K1152-L1156 HydrophobicContact CG-CD1 4.41Å; K1152-L1156 VanDerWaalsContact O-CG 3.28Å; K1152-L1156 WeakPolarHBondContact O-CG 3.12Å; K1152-L1156 PolarHBondContact O-N 3.29Å
1153	D	91.2	Very high	89.3	Confident	58 Å²	58	72.7 Å²	72.7	31%	0.31	37%	0.373	S	S	.	.	H	α-helix	trans	-72.6	-20.7	-180	-70.9	-33	0	0	0	112.9	L1149 R1157	L1149-D1153 WeakPolarHBondContact CD1-OD2 3.46Å; L1149-D1153 WeakPolarHBondContact O-CB 3.31Å; L1149-D1153 PolarHBondContact O-N 3.29Å; D1153-R1157 VanDerWaalsContact O-CG 3.31Å; D1153-R1157 WeakPolarHBondContact O-CG 3.34Å; D1153-R1157 PolarHBondContact O-N 2.72Å; D1153-R1157 PolarHBondContact O-NE 2.87Å
1154	K	92.1	Very high	89.7	Confident	80 Å²	80	76 Å²	76	35%	0.348	38%	0.377	S	S	.	.	H	α-helix	trans	-71.9	-53.2	166.5	179.8	173.6	164.7	-172.4	0	111.6	E1150 E1151 K1152 L1156 R1157 D1158	E1150-K1154 WeakPolarHBondContact O-CB 3.33Å; E1150-K1154 PolarHBondContact O-N 3.39Å; E1151-K1154 PolarHBondContact O-N 2.97Å; E1151-K1154 WeakPolarHBondContact OE1-CD 3.4Å; E1151-K1154 IonicContact OE1-NZ 2.79Å; E1151-K1154 PolarHBondContact OE1-NZ 2.91Å; E1151-K1154 IonicContact OE2-NZ 2.69Å; K1152-K1154 VanDerWaalsContact C-N 3.28Å; K1152-K1154 PolarHBondContact O-N 3.32Å; K1154-L1156 PolarHBondContact O-N 2.9Å; K1154-R1157 CarbonylContact O-C 3.57Å; K1154-R1157 WeakPolarHBondContact O-CA 3.41Å; K1154-R1157 PolarHBondContact O-N 3.06Å; K1154-D1158 PolarHBondContact O-N 3.17Å
1155	I	90.2	Very high	90.1	Very high	6 Å²	6	73.8 Å²	73.8	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-60.1	-32.8	177.8	-75.1	172	0	0	0	112.1	Q1058 A1059 I1062 K1146 E1151 K1152 R1159	Q1058-I1155 HydrophobicContact CB-CG2 4.47Å; A1059-I1155 HydrophobicContact CB-CG2 3.97Å; I1062-I1155 HydrophobicContact CD1-CD1 3.49Å; I1062-I1155 VanDerWaalsContact CD1-CD1 3.49Å; I1062-I1155 HydrophobicContact CD1-CG2 4.38Å; K1146-I1155 HydrophobicContact CD-CD1 3.91Å; E1151-I1155 WeakPolarHBondContact O-CB 3.32Å; E1151-I1155 WeakPolarHBondContact O-CG1 3.22Å; E1151-I1155 PolarHBondContact O-N 2.81Å; K1152-I1155 PolarHBondContact O-N 3.11Å; I1155-R1159 VanDerWaalsContact O-CB 3.27Å; I1155-R1159 WeakPolarHBondContact O-CB 3.44Å; I1155-R1159 PolarHBondContact O-N 2.93Å
1156	L	91.3	Very high	90.3	Very high	29 Å²	29	68 Å²	68	15%	0.152	33%	0.329	C	S	.	.	H	α-helix	trans	-65.6	-46	171.6	-71.2	169.1	0	0	0	112.3	A1059 L1063 K1152 K1154 R1159 D1160	A1059-L1156 HydrophobicContact CB-CD2 3.95Å; L1063-L1156 HydrophobicContact CD1-CD2 4.28Å; K1152-L1156 HydrophobicContact CD-CD1 4.47Å; K1152-L1156 VanDerWaalsContact CE-CD1 3.48Å; K1152-L1156 HydrophobicContact CG-CD1 4.41Å; K1152-L1156 VanDerWaalsContact O-CG 3.28Å; K1152-L1156 WeakPolarHBondContact O-CG 3.12Å; K1152-L1156 PolarHBondContact O-N 3.29Å; K1154-L1156 PolarHBondContact O-N 2.9Å; L1156-R1159 WeakPolarHBondContact O-CB 3.25Å; L1156-R1159 PolarHBondContact O-N 3.49Å; L1156-D1160 WeakPolarHBondContact O-CB 3.29Å; L1156-D1160 PolarHBondContact O-N 2.82Å; L1156-D1160 VanDerWaalsContact O-OD2 3.13Å
1157	R	93	Very high	90.8	Very high	159 Å²	159	70.9 Å²	70.9	60%	0.6	34%	0.343	S	S	*	.	H	α-helix	trans	-64.5	-41.7	174.4	-75.3	175.4	-67.9	147.3	-3.4	112.7	D1153 K1154 R1159 D1160 S1161	D1153-R1157 VanDerWaalsContact O-CG 3.31Å; D1153-R1157 WeakPolarHBondContact O-CG 3.34Å; D1153-R1157 PolarHBondContact O-N 2.72Å; D1153-R1157 PolarHBondContact O-NE 2.87Å; K1154-R1157 CarbonylContact O-C 3.57Å; K1154-R1157 WeakPolarHBondContact O-CA 3.41Å; K1154-R1157 PolarHBondContact O-N 3.06Å; R1157-R1159 VanDerWaalsContact C-N 3.32Å; R1157-R1159 PolarHBondContact O-N 3.17Å; R1157-D1160 PolarHBondContact O-N 3.49Å; R1157-S1161 VanDerWaalsContact O-CB 3.32Å; R1157-S1161 WeakPolarHBondContact O-CB 3.49Å; R1157-S1161 PolarHBondContact O-N 2.91Å
1158	D	92.2	Very high	91.2	Very high	69 Å²	69	70.3 Å²	70.3	37%	0.369	35%	0.347	S	S	.	.	H	α-helix	trans	-62.5	-41.6	177.8	-62.2	-18.8	0	0	0	110.6	L1055 K1154 K1162	L1055-D1158 HydrophobicContact CD1-CB 4.47Å; L1055-D1158 HydrophobicContact CD2-CB 4.37Å; K1154-D1158 PolarHBondContact O-N 3.17Å; D1158-K1162 WeakPolarHBondContact O-CB 3.4Å; D1158-K1162 WeakPolarHBondContact O-CG 3.3Å; D1158-K1162 PolarHBondContact O-N 2.97Å; D1158-K1162 VanDerWaalsContact O-N 3.1Å
1159	R	92.1	Very high	91.4	Very high	56 Å²	56	69.1 Å²	69.1	21%	0.211	34%	0.337	C	S	.	.	H	α-helix	trans	-59.6	-51	171.7	178.9	-156.6	70.4	-164.1	-3.5	111.2	L1055 R1056 I1155 L1156 R1157 K1162 M1163	L1055-R1159 HydrophobicContact CB-CB 4.04Å; L1055-R1159 HydrophobicContact CB-CG 4.39Å; R1056-R1159 HydrophobicContact CB-CG 4.42Å; I1155-R1159 VanDerWaalsContact O-CB 3.27Å; I1155-R1159 WeakPolarHBondContact O-CB 3.44Å; I1155-R1159 PolarHBondContact O-N 2.93Å; L1156-R1159 WeakPolarHBondContact O-CB 3.25Å; L1156-R1159 PolarHBondContact O-N 3.49Å; R1157-R1159 VanDerWaalsContact C-N 3.32Å; R1157-R1159 PolarHBondContact O-N 3.17Å; R1159-K1162 PolarHBondContact O-N 2.86Å; R1159-M1163 HydrophobicContact CG-CE 4.04Å; R1159-M1163 HydrophobicContact CG-SD 4.33Å; R1159-M1163 WeakPolarHBondContact O-CG 3.48Å; R1159-M1163 PolarHBondContact O-N 2.94Å
1160	D	92.9	Very high	91.6	Very high	55 Å²	55	68.6 Å²	68.6	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-67.8	-44	-174	-66.8	-25.1	0	0	0	111.3	L1156 R1157 K1162 M1163 E1164	L1156-D1160 WeakPolarHBondContact O-CB 3.29Å; L1156-D1160 PolarHBondContact O-N 2.82Å; L1156-D1160 VanDerWaalsContact O-OD2 3.13Å; R1157-D1160 PolarHBondContact O-N 3.49Å; D1160-K1162 VanDerWaalsContact C-N 3.29Å; D1160-K1162 PolarHBondContact O-N 2.65Å; D1160-M1163 PolarHBondContact O-N 2.83Å; D1160-M1163 VanDerWaalsContact O-N 3.15Å; D1160-M1163 WeakPolarHBondContact OD1-CE 3.49Å; D1160-E1164 WeakPolarHBondContact O-CG 3.41Å; D1160-E1164 PolarHBondContact O-N 3.2Å
1161	S	94	Very high	91.8	Very high	59 Å²	59	67.6 Å²	67.6	41%	0.413	33%	0.327	S	S	.	.	H	α-helix	trans	-55.6	-40.3	170.7	-172.9	0	0	0	0	112.6	R1157 E1164 E1165	R1157-S1161 VanDerWaalsContact O-CB 3.32Å; R1157-S1161 WeakPolarHBondContact O-CB 3.49Å; R1157-S1161 PolarHBondContact O-N 2.91Å; S1161-E1164 PolarHBondContact O-N 3.43Å; S1161-E1165 WeakPolarHBondContact O-CG 3.34Å; S1161-E1165 PolarHBondContact O-N 3.37Å
1162	K	90.7	Very high	92	Very high	56 Å²	56	69.1 Å²	69.1	24%	0.243	33%	0.333	C	S	.	.	H	α-helix	trans	-74	-30.1	178.6	-74.8	-71.6	174.1	-127.9	0	113.6	L1048 S1052 L1055 D1158 R1159 D1160 E1165 L1166	L1048-K1162 HydrophobicContact CD2-CD 3.86Å; S1052-K1162 PolarHBondContact OG-O 3.32Å; L1055-K1162 HydrophobicContact CD1-CB 4.13Å; L1055-K1162 HydrophobicContact CD1-CG 3.79Å; D1158-K1162 WeakPolarHBondContact O-CB 3.4Å; D1158-K1162 WeakPolarHBondContact O-CG 3.3Å; D1158-K1162 PolarHBondContact O-N 2.97Å; D1158-K1162 VanDerWaalsContact O-N 3.1Å; R1159-K1162 PolarHBondContact O-N 2.86Å; D1160-K1162 VanDerWaalsContact C-N 3.29Å; D1160-K1162 PolarHBondContact O-N 2.65Å; K1162-E1165 IonicContact NZ-OE1 2.7Å; K1162-E1165 PolarHBondContact NZ-OE1 2.95Å; K1162-E1165 IonicContact NZ-OE2 2.81Å; K1162-E1165 PolarHBondContact NZ-OE2 3.18Å; K1162-L1166 WeakPolarHBondContact O-CB 3.47Å; K1162-L1166 PolarHBondContact O-N 3.33Å
1163	M	90.5	Very high	92.2	Very high	61 Å²	61	69.5 Å²	69.5	30%	0.3	34%	0.34	S	S	.	.	H	α-helix	trans	-71.6	-39.1	170.6	-66.8	-173.8	-51.8	0	0	111.5	R1159 D1160 L1166 E1167	R1159-M1163 HydrophobicContact CG-CE 4.04Å; R1159-M1163 HydrophobicContact CG-SD 4.33Å; R1159-M1163 WeakPolarHBondContact O-CG 3.48Å; R1159-M1163 PolarHBondContact O-N 2.94Å; D1160-M1163 PolarHBondContact O-N 2.83Å; D1160-M1163 VanDerWaalsContact O-N 3.15Å; D1160-M1163 WeakPolarHBondContact OD1-CE 3.49Å; M1163-L1166 WeakPolarHBondContact O-CB 3.45Å; M1163-L1166 PolarHBondContact O-N 2.75Å; M1163-E1167 WeakPolarHBondContact O-CG 3.36Å; M1163-E1167 PolarHBondContact O-N 3.08Å
1164	E	93.3	Very high	92.3	Very high	138 Å²	138	68 Å²	68	65%	0.645	33%	0.333	S	S	*	.	H	α-helix	trans	-62.8	-42.9	172.8	-72.5	177.8	-169.9	0	0	112	D1160 S1161 L1166 E1167 A1168	D1160-E1164 WeakPolarHBondContact O-CG 3.41Å; D1160-E1164 PolarHBondContact O-N 3.2Å; S1161-E1164 PolarHBondContact O-N 3.43Å; E1164-L1166 PolarHBondContact O-N 2.95Å; E1164-E1167 PolarHBondContact O-N 2.76Å; E1164-A1168 VanDerWaalsContact O-CB 3.25Å; E1164-A1168 WeakPolarHBondContact O-CB 3.17Å; E1164-A1168 PolarHBondContact O-N 3.02Å
1165	E	92.2	Very high	92.4	Very high	72 Å²	72	66.6 Å²	66.6	34%	0.336	33%	0.327	S	S	.	.	H	α-helix	trans	-58.9	-43.3	171.5	-78	173.4	-129.6	0	0	112.5	L1048 S1161 K1162 A1168 L1169	L1048-E1165 HydrophobicContact CD1-CB 4.42Å; L1048-E1165 HydrophobicContact CD2-CB 4.41Å; S1161-E1165 WeakPolarHBondContact O-CG 3.34Å; S1161-E1165 PolarHBondContact O-N 3.37Å; K1162-E1165 IonicContact NZ-OE1 2.7Å; K1162-E1165 PolarHBondContact NZ-OE1 2.95Å; K1162-E1165 IonicContact NZ-OE2 2.81Å; K1162-E1165 PolarHBondContact NZ-OE2 3.18Å; E1165-A1168 PolarHBondContact O-N 2.75Å; E1165-L1169 WeakPolarHBondContact O-CB 3.13Å; E1165-L1169 PolarHBondContact O-N 2.89Å
1166	L	91.4	Very high	92.6	Very high	10 Å²	10	69.5 Å²	69.5	5%	0.052	34%	0.343	C	S	.	.	H	α-helix	trans	-65.3	-43.3	179.1	179.2	65.6	0	0	0	111.9	L1048 D1049 K1162 M1163 E1164 R1170	L1048-L1166 HydrophobicContact CB-CB 4.32Å; L1048-L1166 HydrophobicContact CB-CD1 3.78Å; D1049-L1166 HydrophobicContact CB-CD1 4.2Å; D1049-L1166 HydrophobicContact CB-CD2 4.26Å; K1162-L1166 WeakPolarHBondContact O-CB 3.47Å; K1162-L1166 PolarHBondContact O-N 3.33Å; M1163-L1166 WeakPolarHBondContact O-CB 3.45Å; M1163-L1166 PolarHBondContact O-N 2.75Å; E1164-L1166 PolarHBondContact O-N 2.95Å; L1166-R1170 WeakPolarHBondContact O-CB 3.26Å; L1166-R1170 WeakPolarHBondContact O-CG 3.37Å; L1166-R1170 PolarHBondContact O-N 3.2Å
1167	E	93.1	Very high	92.7	Very high	127 Å²	127	68.6 Å²	68.6	59%	0.593	34%	0.338	S	S	*	.	H	α-helix	trans	-68.5	-40.5	175.7	-71.8	-171.8	-175.2	0	0	111.7	M1163 E1164 L1169 R1170 N1171	M1163-E1167 WeakPolarHBondContact O-CG 3.36Å; M1163-E1167 PolarHBondContact O-N 3.08Å; E1164-E1167 PolarHBondContact O-N 2.76Å; E1167-L1169 PolarHBondContact O-N 3.22Å; E1167-R1170 PolarHBondContact O-N 3.08Å; E1167-N1171 WeakPolarHBondContact O-CB 3.41Å; E1167-N1171 VanDerWaalsContact O-CG 3.31Å; E1167-N1171 PolarHBondContact O-N 3.19Å; E1167-N1171 PolarHBondContact O-ND2 2.67Å
1168	A	92.8	Very high	92.9	Very high	49 Å²	49	61 Å²	61	41%	0.405	31%	0.31	S	S	.	.	H	α-helix	trans	-60.1	-43.8	173.9	0	0	0	0	0	112	E1164 E1165 N1171 K1172	E1164-A1168 VanDerWaalsContact O-CB 3.25Å; E1164-A1168 WeakPolarHBondContact O-CB 3.17Å; E1164-A1168 PolarHBondContact O-N 3.02Å; E1165-A1168 PolarHBondContact O-N 2.75Å; A1168-N1171 PolarHBondContact O-N 3.1Å; A1168-K1172 WeakPolarHBondContact O-CG 3.07Å; A1168-K1172 PolarHBondContact O-N 2.78Å
1169	L	91.8	Very high	93	Very high	15 Å²	15	60 Å²	60	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-66.6	-40.9	176	178.6	61	0	0	0	112.4	K1041 M1044 E1045 L1048 E1165 E1167 N1171 K1172 L1177	K1041-L1169 WeakPolarHBondContact CE-O 3.22Å; K1041-L1169 HydrophobicContact CG-CD1 4.34Å; K1041-L1169 PolarHBondContact NZ-O 3.18Å; M1044-L1169 HydrophobicContact CB-CD2 3.55Å; M1044-L1169 HydrophobicContact CE-CD1 3.92Å; M1044-L1169 HydrophobicContact CE-CD2 4.41Å; E1045-L1169 HydrophobicContact CB-CD2 4.35Å; E1045-L1169 HydrophobicContact CG-CD2 3.69Å; E1045-L1169 HydrophobicContact CG-CG 3.89Å; L1048-L1169 HydrophobicContact CD1-CD2 3.88Å; E1165-L1169 WeakPolarHBondContact O-CB 3.13Å; E1165-L1169 PolarHBondContact O-N 2.89Å; E1167-L1169 PolarHBondContact O-N 3.22Å; L1169-N1171 VanDerWaalsContact C-N 3.27Å; L1169-N1171 PolarHBondContact O-N 3.08Å; L1169-K1172 PolarHBondContact O-N 2.81Å; L1169-L1177 HydrophobicContact CD1-CD1 4.05Å; L1169-L1177 HydrophobicContact CD1-CD2 4.03Å
1170	R	92.3	Very high	93.2	Very high	108 Å²	108	61.5 Å²	61.5	41%	0.408	31%	0.313	S	S	.	.	H	α-helix	trans	-58.3	-40.8	176.5	-83.5	171.7	174	158.1	6.2	112.2	K1041 E1045 D1049 L1166 E1167	K1041-R1170 PolarHBondContact NZ-O 3.4Å; E1045-R1170 VanDerWaalsContact CD-CG 3.4Å; E1045-R1170 HydrophobicContact CG-CG 4.27Å; E1045-R1170 WeakPolarHBondContact OE1-CA 3.45Å; E1045-R1170 VanDerWaalsContact OE1-CG 3.31Å; E1045-R1170 WeakPolarHBondContact OE1-CG 3.4Å; E1045-R1170 WeakPolarHBondContact OE2-CG 3.36Å; E1045-R1170 IonicContact OE2-NE 2.98Å; E1045-R1170 PolarHBondContact OE2-NE 2.8Å; D1049-R1170 IonicContact OD1-CZ 3.62Å; D1049-R1170 IonicContact OD1-NH1 3.51Å; D1049-R1170 IonicContact OD1-NH2 2.67Å; D1049-R1170 PolarHBondContact OD1-NH2 3.42Å; L1166-R1170 WeakPolarHBondContact O-CB 3.26Å; L1166-R1170 WeakPolarHBondContact O-CG 3.37Å; L1166-R1170 PolarHBondContact O-N 3.2Å; E1167-R1170 PolarHBondContact O-N 3.08Å
1171	N	93.3	Very high	93.3	Very high	140 Å²	140	59.3 Å²	59.3	75%	0.749	30%	0.301	S	S	*	.	H	α-helix	trans	-71.6	-22.9	179.3	-72.3	-42.3	0	0	0	114.5	E1167 A1168 L1169	E1167-N1171 WeakPolarHBondContact O-CB 3.41Å; E1167-N1171 VanDerWaalsContact O-CG 3.31Å; E1167-N1171 PolarHBondContact O-N 3.19Å; E1167-N1171 PolarHBondContact O-ND2 2.67Å; A1168-N1171 PolarHBondContact O-N 3.1Å; L1169-N1171 VanDerWaalsContact C-N 3.27Å; L1169-N1171 PolarHBondContact O-N 3.08Å
1172	K	93.1	Very high	93.4	Very high	69 Å²	69	56.5 Å²	56.5	30%	0.3	28%	0.282	S	S	.	.	S	Bend	trans	-80.9	140.2	175.4	-67.8	-178.8	-171	-169.3	0	111.8	K1041 A1168 L1169 D1176 L1177 E1180	K1041-K1172 PolarHBondContact NZ-O 2.94Å; A1168-K1172 WeakPolarHBondContact O-CG 3.07Å; A1168-K1172 PolarHBondContact O-N 2.78Å; L1169-K1172 PolarHBondContact O-N 2.81Å; K1172-D1176 HydrophobicContact CB-CB 4.43Å; K1172-L1177 HydrophobicContact CB-CD2 4.35Å; K1172-L1177 HydrophobicContact CB-CG 4.44Å; K1172-L1177 HydrophobicContact CD-CD2 3.82Å; K1172-E1180 VanDerWaalsContact CE-OE1 3.26Å; K1172-E1180 WeakPolarHBondContact CE-OE1 3.5Å; K1172-E1180 IonicContact NZ-OE1 3.24Å; K1172-E1180 PolarHBondContact NZ-OE1 2.73Å; K1172-E1180 IonicContact NZ-OE2 2.64Å; K1172-E1180 PolarHBondContact NZ-OE2 3.23Å
1173	S	93.4	Very high	93.6	Very high	44 Å²	44	57.5 Å²	57.5	31%	0.308	29%	0.29	S	S	.	.			trans	-82.4	162.2	167.7	78.9	0	0	0	0	111.8	K1175 D1176 L1177	S1173-K1175 PolarHBondContact O-N 3.47Å; S1173-K1175 PolarHBondContact OG-N 3.21Å; S1173-D1176 WeakPolarHBondContact CA-OD2 3.49Å; S1173-D1176 WeakPolarHBondContact CB-OD2 3.1Å; S1173-D1176 PolarHBondContact N-OD2 2.99Å; S1173-D1176 PolarHBondContact O-N 3.3Å; S1173-D1176 PolarHBondContact OG-N 2.74Å; S1173-D1176 PolarHBondContact OG-OD2 3.45Å; S1173-L1177 PolarHBondContact O-N 3.04Å
1174	P	93.2	Very high	93.8	Very high	25 Å²	25	60.2 Å²	60.2	16%	0.162	30%	0.302	C	S	.	.	H	α-helix	trans	-58.3	-24.8	169.4	-25.8	35.8	0	0	0	114	L1034 K1041	L1034-P1174 HydrophobicContact CD1-CB 4.47Å; K1041-P1174 HydrophobicContact CD-CG 4.25Å
1175	K	94.4	Very high	93.9	Very high	52 Å²	52	53.6 Å²	53.6	23%	0.226	27%	0.271	C	S	.	.	H	α-helix	trans	-71.3	-39.2	173	-82.7	-174	168.9	-166.2	0	111.1	I887 D889 Y1030 L1034 S1173 W1178 L1179	I887-K1175 HydrophobicContact CG2-CB 3.94Å; I887-K1175 HydrophobicContact CG2-CD 4.09Å; I887-K1175 HydrophobicContact CG2-CG 4.04Å; I887-K1175 WeakPolarHBondContact O-CD 3.3Å; I887-K1175 VanDerWaalsContact O-CE 3.25Å; I887-K1175 WeakPolarHBondContact O-CE 3.44Å; I887-K1175 PolarHBondContact O-NZ 2.95Å; D889-K1175 IonicContact OD1-NZ 3.05Å; D889-K1175 PolarHBondContact OD1-NZ 2.94Å; D889-K1175 IonicContact OD2-NZ 2.73Å; D889-K1175 PolarHBondContact OD2-NZ 3.48Å; Y1030-K1175 WeakPolarHBondContact OH-CE 3.48Å; L1034-K1175 HydrophobicContact CD1-CG 4.28Å; S1173-K1175 PolarHBondContact O-N 3.47Å; S1173-K1175 PolarHBondContact OG-N 3.21Å; K1175-W1178 PolarHBondContact O-N 3.39Å; K1175-L1179 PolarHBondContact O-N 2.78Å
1176	D	94	Very high	94	Very high	67 Å²	67	51.3 Å²	51.3	36%	0.358	26%	0.261	S	S	.	.	H	α-helix	trans	-69.6	-42.3	-179.4	-53.1	-53	0	0	0	111.9	K1172 S1173 W1178 L1179 E1180	K1172-D1176 HydrophobicContact CB-CB 4.43Å; S1173-D1176 WeakPolarHBondContact CA-OD2 3.49Å; S1173-D1176 WeakPolarHBondContact CB-OD2 3.1Å; S1173-D1176 PolarHBondContact N-OD2 2.99Å; S1173-D1176 PolarHBondContact O-N 3.3Å; S1173-D1176 PolarHBondContact OG-N 2.74Å; S1173-D1176 PolarHBondContact OG-OD2 3.45Å; D1176-W1178 PolarHBondContact O-N 3.31Å; D1176-L1179 PolarHBondContact O-N 3.03Å; D1176-E1180 PolarHBondContact O-N 2.87Å
1177	L	93.9	Very high	94.2	Very high	10 Å²	10	55.3 Å²	55.3	5%	0.052	29%	0.286	C	S	.	.	H	α-helix	trans	-56.5	-32.7	173.9	-66.6	174.3	0	0	0	112.4	Y1037 K1041 M1044 L1169 K1172 S1173 D1181	Y1037-L1177 HydrophobicContact CD1-CB 4.11Å; Y1037-L1177 HydrophobicContact CE1-CB 4.31Å; K1041-L1177 HydrophobicContact CB-CD1 4.02Å; K1041-L1177 HydrophobicContact CD-CD1 4.37Å; K1041-L1177 HydrophobicContact CG-CD1 4.27Å; M1044-L1177 HydrophobicContact CE-CD1 4.02Å; L1169-L1177 HydrophobicContact CD1-CD1 4.05Å; L1169-L1177 HydrophobicContact CD1-CD2 4.03Å; K1172-L1177 HydrophobicContact CB-CD2 4.35Å; K1172-L1177 HydrophobicContact CB-CG 4.44Å; K1172-L1177 HydrophobicContact CD-CD2 3.82Å; S1173-L1177 PolarHBondContact O-N 3.04Å; L1177-D1181 PolarHBondContact O-N 3.31Å; L1177-D1181 VanDerWaalsContact O-N 3.14Å
1178	W	95.6	Very high	94.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-75.4	-37.7	176	-163	-2.2	0	0	0	112.6	I851 L883 I887 F1029 Y1030 R1033 L1034 Y1037 K1175 D1176 E1180 D1181 L1182	I851-W1178 PolarHBondContact O-NE1 3.46Å; L883-W1178 HydrophobicContact CD1-CZ2 4Å; L883-W1178 HydrophobicContact CD2-CH2 3.9Å; L883-W1178 HydrophobicContact CD2-CZ2 3.7Å; L883-W1178 HydrophobicContact CG-CZ2 4.34Å; I887-W1178 HydrophobicContact CD1-CB 4.13Å; I887-W1178 HydrophobicContact CD1-CD2 3.81Å; I887-W1178 HydrophobicContact CD1-CE3 3.92Å; I887-W1178 HydrophobicContact CD1-CG 3.92Å; I887-W1178 HydrophobicContact CG1-CD2 4.44Å; I887-W1178 HydrophobicContact CG1-CE3 4.05Å; I887-W1178 HydrophobicContact CG1-CZ3 4.46Å; F1029-W1178 HydrophobicContact CE1-CZ2 4.15Å; Y1030-W1178 AromaticContact CD2-CH2 3.38Å; Y1030-W1178 HydrophobicContact CD2-CH2 3.38Å; Y1030-W1178 AromaticContact CD2-CZ3 3.4Å; Y1030-W1178 HydrophobicContact CD2-CZ3 3.4Å; Y1030-W1178 HydrophobicContact CE2-CE3 4.39Å; Y1030-W1178 HydrophobicContact CE2-CH2 4.02Å; Y1030-W1178 AromaticContact CE2-CZ3 3.53Å; Y1030-W1178 HydrophobicContact CE2-CZ3 3.53Å; Y1030-W1178 HydrophobicContact CG-CH2 4.09Å; Y1030-W1178 HydrophobicContact CG-CZ3 4.25Å; R1033-W1178 HydrophobicContact CB-CH2 3.77Å; R1033-W1178 HydrophobicContact CB-CZ2 3.92Å; R1033-W1178 HydrophobicContact CB-CZ3 4.4Å; R1033-W1178 HydrophobicContact CG-CD2 4.33Å; R1033-W1178 HydrophobicContact CG-CH2 3.73Å; R1033-W1178 HydrophobicContact CG-CZ2 3.45Å; R1033-W1178 VanDerWaalsContact CG-CZ2 3.45Å; R1033-W1178 HydrophobicContact CG-CZ3 4.26Å; L1034-W1178 HydrophobicContact CB-CZ3 4.2Å; Y1037-W1178 HydrophobicContact CD2-CB 3.92Å; Y1037-W1178 AromaticContact CD2-CD2 3.87Å; Y1037-W1178 HydrophobicContact CD2-CD2 3.87Å; Y1037-W1178 AromaticContact CD2-CE3 3.93Å; Y1037-W1178 HydrophobicContact CD2-CE3 3.93Å; Y1037-W1178 AromaticContact CD2-CG 3.89Å; Y1037-W1178 HydrophobicContact CD2-CG 3.89Å; Y1037-W1178 HydrophobicContact CE1-CB 4.21Å; Y1037-W1178 HydrophobicContact CE2-CB 3.39Å; Y1037-W1178 AromaticContact CE2-CD1 3.41Å; Y1037-W1178 VanDerWaalsContact CE2-CD1 3.41Å; Y1037-W1178 AromaticContact CE2-CD2 3.33Å; Y1037-W1178 HydrophobicContact CE2-CD2 3.33Å; Y1037-W1178 AromaticContact CE2-CE2 3.8Å; Y1037-W1178 AromaticContact CE2-CE3 3.88Å; Y1037-W1178 HydrophobicContact CE2-CE3 3.88Å; Y1037-W1178 AromaticContact CE2-CG 3.08Å; Y1037-W1178 HydrophobicContact CE2-CG 3.08Å; Y1037-W1178 AromaticContact CE2-NE1 3.81Å; Y1037-W1178 AromaticContact CZ-CD1 3.58Å; Y1037-W1178 AromaticContact CZ-CG 3.53Å; K1175-W1178 PolarHBondContact O-N 3.39Å; D1176-W1178 PolarHBondContact O-N 3.31Å; W1178-E1180 VanDerWaalsContact C-N 3.3Å; W1178-E1180 PolarHBondContact O-N 2.98Å; W1178-D1181 PolarHBondContact O-N 3.04Å; W1178-L1182 HydrophobicContact CG-CD1 4.29Å; W1178-L1182 WeakPolarHBondContact O-CB 3.15Å; W1178-L1182 WeakPolarHBondContact O-CD1 3.19Å; W1178-L1182 WeakPolarHBondContact O-CG 3.07Å; W1178-L1182 PolarHBondContact O-N 3.22Å
1179	L	95.6	Very high	94.3	Very high	46 Å²	46	49.1 Å²	49.1	24%	0.241	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-41.2	175	-66.5	172.2	0	0	0	110.9	R884 I887 K1175 D1176 L1182 D1183	R884-L1179 HydrophobicContact CG-CD2 3.96Å; I887-L1179 HydrophobicContact CB-CD2 4.5Å; I887-L1179 HydrophobicContact CD1-CD2 3.84Å; I887-L1179 HydrophobicContact CD1-CG 4.28Å; I887-L1179 HydrophobicContact CG2-CD1 4.09Å; I887-L1179 HydrophobicContact CG2-CD2 4.05Å; I887-L1179 HydrophobicContact CG2-CG 4.07Å; K1175-L1179 PolarHBondContact O-N 2.78Å; D1176-L1179 PolarHBondContact O-N 3.03Å; L1179-L1182 PolarHBondContact O-N 3.01Å; L1179-D1183 PolarHBondContact O-N 3.27Å
1180	E	94.7	Very high	94.4	Very high	88 Å²	88	53.2 Å²	53.2	41%	0.411	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-48.5	174.7	-66.8	178.5	161.6	0	0	112.5	K1172 D1176 W1178 L1182 D1183 Q1184	K1172-E1180 VanDerWaalsContact CE-OE1 3.26Å; K1172-E1180 WeakPolarHBondContact CE-OE1 3.5Å; K1172-E1180 IonicContact NZ-OE1 3.24Å; K1172-E1180 PolarHBondContact NZ-OE1 2.73Å; K1172-E1180 IonicContact NZ-OE2 2.64Å; K1172-E1180 PolarHBondContact NZ-OE2 3.23Å; D1176-E1180 PolarHBondContact O-N 2.87Å; W1178-E1180 VanDerWaalsContact C-N 3.3Å; W1178-E1180 PolarHBondContact O-N 2.98Å; E1180-L1182 VanDerWaalsContact C-N 3.31Å; E1180-L1182 PolarHBondContact O-N 2.89Å; E1180-D1183 PolarHBondContact O-N 3.37Å; E1180-Q1184 WeakPolarHBondContact O-CB 3.04Å; E1180-Q1184 PolarHBondContact O-N 2.82Å
1181	D	95.6	Very high	94.5	Very high	9 Å²	9	53.2 Å²	53.2	5%	0.048	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-38.6	175.3	-91.7	32.4	0	0	0	112	N826 I851 R1033 Y1037 R1040 L1177 W1178 F1185	N826-D1181 PolarHBondContact ND2-OD1 2.66Å; N826-D1181 PolarHBondContact ND2-OD2 3.1Å; I851-D1181 HydrophobicContact CG2-CB 3.99Å; R1033-D1181 IonicContact NH2-OD2 3.58Å; Y1037-D1181 WeakPolarHBondContact OH-CB 3.47Å; Y1037-D1181 PolarHBondContact OH-OD2 3.13Å; R1040-D1181 IonicContact CZ-OD1 3.81Å; R1040-D1181 IonicContact CZ-OD2 3.13Å; R1040-D1181 IonicContact NH1-OD1 3.98Å; R1040-D1181 IonicContact NH1-OD2 2.74Å; R1040-D1181 PolarHBondContact NH1-OD2 3.43Å; R1040-D1181 IonicContact NH2-OD1 2.65Å; R1040-D1181 PolarHBondContact NH2-OD1 2.78Å; R1040-D1181 IonicContact NH2-OD2 3.6Å; R1040-D1181 PolarHBondContact NH2-OD2 3.46Å; L1177-D1181 PolarHBondContact O-N 3.31Å; L1177-D1181 VanDerWaalsContact O-N 3.14Å; W1178-D1181 PolarHBondContact O-N 3.04Å; D1181-F1185 WeakPolarHBondContact O-CB 2.98Å; D1181-F1185 PolarHBondContact O-N 2.93Å; D1181-F1185 VanDerWaalsContact O-N 3.11Å
1182	L	96	Very high	94.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.4	-41.2	177.6	-73.5	166.3	0	0	0	112.6	I851 L852 V880 L883 R884 I887 W1178 L1179 E1180 F1185 M1186	I851-L1182 HydrophobicContact CD1-CD2 4.38Å; L852-L1182 HydrophobicContact CD2-CD2 3.48Å; L852-L1182 VanDerWaalsContact CD2-CD2 3.48Å; L852-L1182 HydrophobicContact CG-CD2 4.46Å; V880-L1182 HydrophobicContact CG1-CD2 4.43Å; V880-L1182 HydrophobicContact CG2-CD2 4.15Å; L883-L1182 HydrophobicContact CB-CD1 4.36Å; L883-L1182 HydrophobicContact CD1-CD2 4.29Å; R884-L1182 HydrophobicContact CG-CD1 4.46Å; I887-L1182 HydrophobicContact CD1-CD1 3.97Å; W1178-L1182 HydrophobicContact CG-CD1 4.29Å; W1178-L1182 WeakPolarHBondContact O-CB 3.15Å; W1178-L1182 WeakPolarHBondContact O-CD1 3.19Å; W1178-L1182 WeakPolarHBondContact O-CG 3.07Å; W1178-L1182 PolarHBondContact O-N 3.22Å; L1179-L1182 PolarHBondContact O-N 3.01Å; E1180-L1182 VanDerWaalsContact C-N 3.31Å; E1180-L1182 PolarHBondContact O-N 2.89Å; L1182-F1185 PolarHBondContact O-N 3.32Å; L1182-M1186 WeakPolarHBondContact O-CG 3.41Å; L1182-M1186 PolarHBondContact O-N 2.65Å
1183	D	95.5	Very high	94.3	Very high	78 Å²	78	46.2 Å²	46.2	42%	0.417	23%	0.233	S	C	.	.	H	α-helix	trans	-71.5	-36.2	-179.9	-71.4	-5.3	0	0	0	111.3	R884 L1179 E1180 M1186 T1187	R884-D1183 IonicContact CZ-OD1 2.71Å; R884-D1183 IonicContact NE-OD1 3.07Å; R884-D1183 IonicContact NH2-OD1 3.3Å; R884-D1183 PolarHBondContact NH2-OD1 3.47Å; L1179-D1183 PolarHBondContact O-N 3.27Å; E1180-D1183 PolarHBondContact O-N 3.37Å; D1183-M1186 PolarHBondContact O-N 3.25Å; D1183-T1187 PolarHBondContact O-N 3.43Å; D1183-T1187 VanDerWaalsContact O-N 3.11Å; D1183-T1187 PolarHBondContact O-OG1 3.49Å
1184	Q	94.5	Very high	94.2	Very high	117 Å²	117	50.1 Å²	50.1	55%	0.547	24%	0.244	S	C	.	.	H	α-helix	trans	-61.7	-45.9	171.2	-174.8	179.4	9.1	0	0	111.6	E1180 T1187 E1188	E1180-Q1184 WeakPolarHBondContact O-CB 3.04Å; E1180-Q1184 PolarHBondContact O-N 2.82Å; Q1184-T1187 WeakPolarHBondContact O-CB 3.28Å; Q1184-T1187 PolarHBondContact O-N 3.45Å; Q1184-E1188 PolarHBondContact O-N 3.47Å; Q1184-E1188 VanDerWaalsContact O-N 3.08Å
1185	F	95.6	Very high	94.1	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-44.3	177	162.8	-91.3	0	0	0	113	I788 V820 A823 L824 I851 L852 P876 V880 D1181 L1182 T1187 E1188 L1189	I788-F1185 HydrophobicContact CD1-CE2 3.95Å; I788-F1185 HydrophobicContact CD1-CZ 3.61Å; V820-F1185 HydrophobicContact CG1-CD2 4.13Å; V820-F1185 HydrophobicContact CG1-CE2 3.71Å; A823-F1185 HydrophobicContact CB-CB 4.2Å; A823-F1185 HydrophobicContact CB-CD2 4.4Å; L824-F1185 HydrophobicContact CB-CD2 4.29Å; L824-F1185 HydrophobicContact CB-CE2 4.29Å; L824-F1185 HydrophobicContact CD1-CD2 4.33Å; L824-F1185 HydrophobicContact CD1-CE2 3.99Å; I851-F1185 HydrophobicContact CD1-CB 3.32Å; I851-F1185 HydrophobicContact CD1-CD1 4.32Å; I851-F1185 HydrophobicContact CD1-CD2 4.11Å; I851-F1185 HydrophobicContact CD1-CG 3.67Å; L852-F1185 HydrophobicContact CD1-CD1 4.17Å; L852-F1185 HydrophobicContact CD1-CE1 3.49Å; L852-F1185 VanDerWaalsContact CD1-CE1 3.49Å; L852-F1185 HydrophobicContact CD1-CE2 4.39Å; L852-F1185 HydrophobicContact CD1-CZ 3.61Å; P876-F1185 HydrophobicContact CB-CZ 4.48Å; V880-F1185 HydrophobicContact CG2-CD1 4.27Å; V880-F1185 HydrophobicContact CG2-CE1 4.14Å; D1181-F1185 WeakPolarHBondContact O-CB 2.98Å; D1181-F1185 PolarHBondContact O-N 2.93Å; D1181-F1185 VanDerWaalsContact O-N 3.11Å; L1182-F1185 PolarHBondContact O-N 3.32Å; F1185-T1187 VanDerWaalsContact C-N 3.26Å; F1185-T1187 PolarHBondContact O-N 3.09Å; F1185-E1188 PolarHBondContact O-N 3.02Å; F1185-L1189 HydrophobicContact CE1-CD2 4Å; F1185-L1189 HydrophobicContact CZ-CD2 4.02Å; F1185-L1189 VanDerWaalsContact O-CB 3.3Å; F1185-L1189 WeakPolarHBondContact O-CB 3.24Å; F1185-L1189 PolarHBondContact O-N 3.34Å
1186	M	94.9	Very high	93.7	Very high	24 Å²	24	50.8 Å²	50.8	12%	0.118	25%	0.247	C	C	.	.	H	α-helix	trans	-58.3	-41.5	176.3	-80.8	-63.9	-52.4	0	0	111.7	R877 V880 L1182 D1183 L1189 E1190	R877-M1186 HydrophobicContact CG-CE 3.98Å; R877-M1186 HydrophobicContact CG-SD 4.11Å; V880-M1186 HydrophobicContact CB-SD 4.46Å; V880-M1186 HydrophobicContact CG1-CG 4.11Å; V880-M1186 HydrophobicContact CG1-SD 4.4Å; V880-M1186 HydrophobicContact CG2-CG 4.29Å; V880-M1186 HydrophobicContact CG2-SD 4.04Å; L1182-M1186 WeakPolarHBondContact O-CG 3.41Å; L1182-M1186 PolarHBondContact O-N 2.65Å; D1183-M1186 PolarHBondContact O-N 3.25Å; M1186-L1189 PolarHBondContact O-N 3.26Å; M1186-E1190 WeakPolarHBondContact CE-OE1 3.46Å; M1186-E1190 WeakPolarHBondContact O-CG 3.22Å; M1186-E1190 PolarHBondContact O-N 3.25Å
1187	T	95.5	Very high	93.2	Very high	94 Å²	94	53.1 Å²	53.1	58%	0.577	25%	0.254	S	S	*	.	H	α-helix	trans	-62.6	-46.2	177.5	-56	0	0	0	0	112	D1183 Q1184 F1185 K1191	D1183-T1187 PolarHBondContact O-N 3.43Å; D1183-T1187 VanDerWaalsContact O-N 3.11Å; D1183-T1187 PolarHBondContact O-OG1 3.49Å; Q1184-T1187 WeakPolarHBondContact O-CB 3.28Å; Q1184-T1187 PolarHBondContact O-N 3.45Å; F1185-T1187 VanDerWaalsContact C-N 3.26Å; F1185-T1187 PolarHBondContact O-N 3.09Å; T1187-K1191 VanDerWaalsContact O-CB 3.3Å; T1187-K1191 WeakPolarHBondContact O-CB 3.48Å; T1187-K1191 PolarHBondContact O-N 2.84Å; T1187-K1191 VanDerWaalsContact O-N 3.09Å
1188	E	94	Very high	92.8	Very high	40 Å²	40	57.2 Å²	57.2	19%	0.187	27%	0.273	C	S	.	.	H	α-helix	trans	-72.6	-33.5	179.9	-167.7	59.7	-149.1	0	0	112.4	P819 V820 A823 Q1184 F1185 K1191 R1192	P819-E1188 HydrophobicContact CB-CG 4.39Å; P819-E1188 WeakPolarHBondContact CB-OE1 3.34Å; V820-E1188 HydrophobicContact CG2-CG 4.25Å; A823-E1188 HydrophobicContact CB-CB 4.41Å; Q1184-E1188 PolarHBondContact O-N 3.47Å; Q1184-E1188 VanDerWaalsContact O-N 3.08Å; F1185-E1188 PolarHBondContact O-N 3.02Å; E1188-K1191 PolarHBondContact O-N 2.88Å; E1188-K1191 IonicContact OE1-NZ 3.67Å; E1188-K1191 PolarHBondContact OE1-NZ 2.83Å; E1188-K1191 IonicContact OE2-NZ 3.75Å; E1188-K1191 PolarHBondContact OE2-NZ 2.72Å; E1188-R1192 PolarHBondContact O-N 2.73Å
1189	L	94.2	Very high	92.1	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-62.5	-48.9	173.5	177.6	62.7	0	0	0	111.5	I788 V820 P876 F1185 M1186 K1191 R1192 E1193	I788-L1189 HydrophobicContact CD1-CD1 3.99Å; I788-L1189 HydrophobicContact CG1-CD1 4.27Å; V820-L1189 HydrophobicContact CG1-CD1 4.42Å; P876-L1189 HydrophobicContact CB-CD2 4.17Å; F1185-L1189 HydrophobicContact CE1-CD2 4Å; F1185-L1189 HydrophobicContact CZ-CD2 4.02Å; F1185-L1189 VanDerWaalsContact O-CB 3.3Å; F1185-L1189 WeakPolarHBondContact O-CB 3.24Å; F1185-L1189 PolarHBondContact O-N 3.34Å; M1186-L1189 PolarHBondContact O-N 3.26Å; L1189-K1191 VanDerWaalsContact C-N 3.32Å; L1189-K1191 PolarHBondContact O-N 3.33Å; L1189-R1192 PolarHBondContact O-N 2.69Å; L1189-E1193 HydrophobicContact CD1-CG 4.32Å; L1189-E1193 WeakPolarHBondContact O-CB 3.48Å; L1189-E1193 WeakPolarHBondContact O-CG 3.32Å; L1189-E1193 PolarHBondContact O-N 2.99Å
1190	E	94.1	Very high	91.1	Very high	101 Å²	101	63.2 Å²	63.2	47%	0.472	30%	0.3	S	S	.	.	H	α-helix	trans	-64.4	-38.1	178.1	-76	179.3	-175.9	0	0	112.2	R877 M1186 K1194	R877-E1190 IonicContact NE-OE1 3.88Å; R877-E1190 VanDerWaalsContact NH2-CG 3.25Å; R877-E1190 IonicContact NH2-OE1 2.71Å; M1186-E1190 WeakPolarHBondContact CE-OE1 3.46Å; M1186-E1190 WeakPolarHBondContact O-CG 3.22Å; M1186-E1190 PolarHBondContact O-N 3.25Å; E1190-K1194 WeakPolarHBondContact O-CB 3.37Å; E1190-K1194 PolarHBondContact O-N 3.37Å
1191	K	94.4	Very high	90	Very high	109 Å²	109	64.4 Å²	64.4	47%	0.474	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-46.1	172	170.9	165.8	161.9	-99.4	0	112.2	T1187 E1188 L1189 K1194 I1195	T1187-K1191 VanDerWaalsContact O-CB 3.3Å; T1187-K1191 WeakPolarHBondContact O-CB 3.48Å; T1187-K1191 PolarHBondContact O-N 2.84Å; T1187-K1191 VanDerWaalsContact O-N 3.09Å; E1188-K1191 PolarHBondContact O-N 2.88Å; E1188-K1191 IonicContact OE1-NZ 3.67Å; E1188-K1191 PolarHBondContact OE1-NZ 2.83Å; E1188-K1191 IonicContact OE2-NZ 3.75Å; E1188-K1191 PolarHBondContact OE2-NZ 2.72Å; L1189-K1191 VanDerWaalsContact C-N 3.32Å; L1189-K1191 PolarHBondContact O-N 3.33Å; K1191-K1194 PolarHBondContact O-N 3.1Å; K1191-I1195 HydrophobicContact CG-CD1 4.37Å; K1191-I1195 WeakPolarHBondContact O-CD1 3.16Å; K1191-I1195 WeakPolarHBondContact O-CG1 3.37Å; K1191-I1195 PolarHBondContact O-N 3.44Å
1192	R	91.8	Very high	88.5	Confident	34 Å²	34	70.3 Å²	70.3	13%	0.128	34%	0.337	C	S	.	.	H	α-helix	trans	-70.3	-42.3	176.7	-179.6	60.5	-160	156.4	10.5	112.6	V820 E1188 L1189 K1194 I1195 E1196 E1199	V820-R1192 HydrophobicContact CG2-CB 3.75Å; V820-R1192 HydrophobicContact CG2-CG 4.26Å; E1188-R1192 PolarHBondContact O-N 2.73Å; L1189-R1192 PolarHBondContact O-N 2.69Å; R1192-K1194 PolarHBondContact O-N 2.91Å; R1192-I1195 VanDerWaalsContact NH1-CG2 3.34Å; R1192-I1195 PolarHBondContact O-N 2.81Å; R1192-E1196 VanDerWaalsContact CZ-CG 3.45Å; R1192-E1196 IonicContact CZ-OE1 3.6Å; R1192-E1196 IonicContact NE-OE1 2.73Å; R1192-E1196 PolarHBondContact NE-OE1 2.63Å; R1192-E1196 IonicContact NH2-OE1 3.32Å; R1192-E1196 PolarHBondContact NH2-OE1 2.97Å; R1192-E1196 WeakPolarHBondContact O-CG 3.24Å; R1192-E1196 PolarHBondContact O-N 3.2Å; R1192-E1199 IonicContact CZ-OE1 2.69Å; R1192-E1199 IonicContact CZ-OE2 3.63Å; R1192-E1199 IonicContact NH1-OE1 3.54Å; R1192-E1199 PolarHBondContact NH1-OE1 3.26Å; R1192-E1199 IonicContact NH1-OE2 2.72Å; R1192-E1199 PolarHBondContact NH1-OE2 3.04Å; R1192-E1199 IonicContact NH2-OE1 2.63Å; R1192-E1199 IonicContact NH2-OE2 2.65Å; R1192-E1199 PolarHBondContact NH2-OE2 2.98Å
1193	E	90.2	Very high	86.7	Confident	28 Å²	28	75.7 Å²	75.7	13%	0.131	37%	0.37	C	S	.	.	H	α-helix	trans	-61.2	-30.9	175.4	-76.3	-179.8	-178.2	0	0	112.8	R877 L1189 K1197	R877-E1193 IonicContact CZ-OE1 3.34Å; R877-E1193 IonicContact CZ-OE2 3.82Å; R877-E1193 IonicContact NH1-OE1 2.67Å; R877-E1193 PolarHBondContact NH1-OE1 3.06Å; R877-E1193 IonicContact NH1-OE2 2.65Å; R877-E1193 PolarHBondContact NH1-OE2 3.45Å; R877-E1193 IonicContact NH2-OE1 3.15Å; R877-E1193 PolarHBondContact NH2-OE1 2.9Å; R877-E1193 IonicContact NH2-OE2 2.7Å; R877-E1193 PolarHBondContact NH2-OE2 3.22Å; L1189-E1193 HydrophobicContact CD1-CG 4.32Å; L1189-E1193 WeakPolarHBondContact O-CB 3.48Å; L1189-E1193 WeakPolarHBondContact O-CG 3.32Å; L1189-E1193 PolarHBondContact O-N 2.99Å; E1193-K1197 VanDerWaalsContact O-CD 3.26Å; E1193-K1197 WeakPolarHBondContact O-CD 3.35Å; E1193-K1197 VanDerWaalsContact O-CG 3.27Å; E1193-K1197 WeakPolarHBondContact O-CG 3.29Å; E1193-K1197 PolarHBondContact O-N 3.1Å
1194	K	91.4	Very high	84.6	Confident	126 Å²	126	78 Å²	78	55%	0.548	38%	0.376	S	S	.	.	H	α-helix	trans	-68.9	-48.4	172.8	-179.2	-178.2	168.3	-174.6	0	111.2	E1190 K1191 R1192 E1196 K1197 E1198	E1190-K1194 WeakPolarHBondContact O-CB 3.37Å; E1190-K1194 PolarHBondContact O-N 3.37Å; K1191-K1194 PolarHBondContact O-N 3.1Å; R1192-K1194 PolarHBondContact O-N 2.91Å; K1194-E1196 VanDerWaalsContact C-N 3.29Å; K1194-E1196 PolarHBondContact O-N 2.62Å; K1194-K1197 PolarHBondContact O-N 2.96Å; K1194-K1197 VanDerWaalsContact O-N 3.16Å; K1194-E1198 WeakPolarHBondContact CE-OE1 3.03Å; K1194-E1198 IonicContact NZ-OE1 2.62Å; K1194-E1198 WeakPolarHBondContact O-CG 3.4Å; K1194-E1198 PolarHBondContact O-N 3.18Å
1195	I	90.4	Very high	82.1	Confident	64 Å²	64	75.3 Å²	75.3	33%	0.328	38%	0.38	S	S	.	.	H	α-helix	trans	-58.4	-42.6	177.9	-66	163.2	0	0	0	110.5	K1191 R1192 K1197 E1198 E1199	K1191-I1195 HydrophobicContact CG-CD1 4.37Å; K1191-I1195 WeakPolarHBondContact O-CD1 3.16Å; K1191-I1195 WeakPolarHBondContact O-CG1 3.37Å; K1191-I1195 PolarHBondContact O-N 3.44Å; R1192-I1195 VanDerWaalsContact NH1-CG2 3.34Å; R1192-I1195 PolarHBondContact O-N 2.81Å; I1195-K1197 VanDerWaalsContact C-N 3.34Å; I1195-K1197 PolarHBondContact O-N 3.14Å; I1195-E1198 PolarHBondContact O-N 3.45Å; I1195-E1198 VanDerWaalsContact O-N 3.1Å; I1195-E1199 HydrophobicContact CG2-CG 4.22Å; I1195-E1199 VanDerWaalsContact CG2-OE1 3.26Å; I1195-E1199 WeakPolarHBondContact CG2-OE1 3.49Å; I1195-E1199 WeakPolarHBondContact O-CG 3.35Å; I1195-E1199 PolarHBondContact O-N 3.03Å
1196	E	85.7	Confident	79.3	Confident	26 Å²	26	79.7 Å²	79.7	12%	0.121	41%	0.411	C	S	.	.	H	α-helix	trans	-60.3	-40.4	176.8	-75.3	169	-179.9	0	0	112.9	K900 R1192 K1194 E1198 E1199 E1200	K900-E1196 IonicContact NZ-OE1 3.47Å; K900-E1196 IonicContact NZ-OE2 3.8Å; K900-E1196 PolarHBondContact NZ-OE2 2.84Å; R1192-E1196 VanDerWaalsContact CZ-CG 3.45Å; R1192-E1196 IonicContact CZ-OE1 3.6Å; R1192-E1196 IonicContact NE-OE1 2.73Å; R1192-E1196 PolarHBondContact NE-OE1 2.63Å; R1192-E1196 IonicContact NH2-OE1 3.32Å; R1192-E1196 PolarHBondContact NH2-OE1 2.97Å; R1192-E1196 WeakPolarHBondContact O-CG 3.24Å; R1192-E1196 PolarHBondContact O-N 3.2Å; K1194-E1196 VanDerWaalsContact C-N 3.29Å; K1194-E1196 PolarHBondContact O-N 2.62Å; E1196-E1198 VanDerWaalsContact C-N 3.33Å; E1196-E1199 PolarHBondContact O-N 2.81Å; E1196-E1200 WeakPolarHBondContact O-CB 3.44Å; E1196-E1200 PolarHBondContact O-N 3.37Å
1197	K	83.9	Confident	76.3	Confident	117 Å²	117	81.8 Å²	81.8	51%	0.509	44%	0.439	S	S	.	.	H	α-helix	trans	-67.8	-33.9	175.1	-69.5	160.8	-169.4	158.9	0	111.8	E1193 K1194 I1195 L1201	E1193-K1197 VanDerWaalsContact O-CD 3.26Å; E1193-K1197 WeakPolarHBondContact O-CD 3.35Å; E1193-K1197 VanDerWaalsContact O-CG 3.27Å; E1193-K1197 WeakPolarHBondContact O-CG 3.29Å; E1193-K1197 PolarHBondContact O-N 3.1Å; K1194-K1197 PolarHBondContact O-N 2.96Å; K1194-K1197 VanDerWaalsContact O-N 3.16Å; I1195-K1197 VanDerWaalsContact C-N 3.34Å; I1195-K1197 PolarHBondContact O-N 3.14Å; K1197-L1201 WeakPolarHBondContact O-CB 3.24Å; K1197-L1201 WeakPolarHBondContact O-CD1 3.1Å; K1197-L1201 WeakPolarHBondContact O-CG 3.14Å; K1197-L1201 PolarHBondContact O-N 2.99Å
1198	E	85.8	Confident	73.3	Confident	95 Å²	95	80.5 Å²	80.5	44%	0.444	44%	0.444	S	S	.	.	H	α-helix	trans	-72.3	-42.4	175.7	-70.6	172.7	176.7	0	0	111.6	K1194 I1195 E1196 E1200 L1201 M1202	K1194-E1198 WeakPolarHBondContact CE-OE1 3.03Å; K1194-E1198 IonicContact NZ-OE1 2.62Å; K1194-E1198 WeakPolarHBondContact O-CG 3.4Å; K1194-E1198 PolarHBondContact O-N 3.18Å; I1195-E1198 PolarHBondContact O-N 3.45Å; I1195-E1198 VanDerWaalsContact O-N 3.1Å; E1196-E1198 VanDerWaalsContact C-N 3.33Å; E1198-E1200 PolarHBondContact O-N 2.98Å; E1198-L1201 PolarHBondContact O-N 3.18Å; E1198-M1202 WeakPolarHBondContact O-CB 3.32Å; E1198-M1202 WeakPolarHBondContact O-CG 3.48Å; E1198-M1202 PolarHBondContact O-N 2.76Å
1199	E	80.7	Confident	70.5	Confident	94 Å²	94	88.8 Å²	88.8	44%	0.439	48%	0.479	S	S	.	.	H	α-helix	trans	-55.9	-46.6	170.3	-71.2	165.8	179.2	0	0	111.1	R1192 I1195 E1196 L1201 T1203	R1192-E1199 IonicContact CZ-OE1 2.69Å; R1192-E1199 IonicContact CZ-OE2 3.63Å; R1192-E1199 IonicContact NH1-OE1 3.54Å; R1192-E1199 PolarHBondContact NH1-OE1 3.26Å; R1192-E1199 IonicContact NH1-OE2 2.72Å; R1192-E1199 PolarHBondContact NH1-OE2 3.04Å; R1192-E1199 IonicContact NH2-OE1 2.63Å; R1192-E1199 IonicContact NH2-OE2 2.65Å; R1192-E1199 PolarHBondContact NH2-OE2 2.98Å; I1195-E1199 HydrophobicContact CG2-CG 4.22Å; I1195-E1199 VanDerWaalsContact CG2-OE1 3.26Å; I1195-E1199 WeakPolarHBondContact CG2-OE1 3.49Å; I1195-E1199 WeakPolarHBondContact O-CG 3.35Å; I1195-E1199 PolarHBondContact O-N 3.03Å; E1196-E1199 PolarHBondContact O-N 2.81Å; E1199-L1201 PolarHBondContact O-N 2.97Å; E1199-T1203 PolarHBondContact O-N 2.72Å; E1199-T1203 PolarHBondContact O-OG1 3.18Å
1200	E	73.4	Confident	67.7	Low	78 Å²	78	92.2 Å²	92.2	36%	0.364	52%	0.516	S	S	.	.	H	α-helix	trans	-64.8	-31.5	175.1	-90.7	-159	-127	0	0	114.5	E1196 E1198 T1203 K1204	E1196-E1200 WeakPolarHBondContact O-CB 3.44Å; E1196-E1200 PolarHBondContact O-N 3.37Å; E1198-E1200 PolarHBondContact O-N 2.98Å; E1200-T1203 PolarHBondContact O-OG1 3.22Å; E1200-T1203 VanDerWaalsContact O-OG1 3.08Å; E1200-K1204 WeakPolarHBondContact O-CD 3.49Å; E1200-K1204 WeakPolarHBondContact O-CE 3.24Å; E1200-K1204 VanDerWaalsContact O-CG 3.24Å; E1200-K1204 WeakPolarHBondContact O-CG 3.45Å; E1200-K1204 PolarHBondContact O-NZ 3.24Å; E1200-K1204 IonicContact OE2-NZ 3.81Å; E1200-K1204 PolarHBondContact OE2-NZ 2.98Å
1201	L	72.7	Confident	64.9	Low	113 Å²	113	94.9 Å²	94.9	59%	0.592	53%	0.534	S	S	*	.	H	α-helix	trans	-81.8	-37.1	179.3	-76.7	167.2	0	0	0	111.6	K1197 E1198 E1199 T1203 K1204 G1205	K1197-L1201 WeakPolarHBondContact O-CB 3.24Å; K1197-L1201 WeakPolarHBondContact O-CD1 3.1Å; K1197-L1201 WeakPolarHBondContact O-CG 3.14Å; K1197-L1201 PolarHBondContact O-N 2.99Å; E1198-L1201 PolarHBondContact O-N 3.18Å; E1199-L1201 PolarHBondContact O-N 2.97Å; L1201-T1203 PolarHBondContact O-N 2.99Å; L1201-K1204 PolarHBondContact O-N 3.16Å; L1201-K1204 VanDerWaalsContact O-N 3.15Å; L1201-G1205 PolarHBondContact O-N 3.48Å
1202	M	63.7	Low	62.1	Low	134 Å²	134	95 Å²	95	66%	0.66	55%	0.548	S	S	*	.	H	α-helix	trans	-63	-41.4	177.4	-73.6	-75	-98.7	0	0	111.8	E1198 K1204 G1205 S1206	E1198-M1202 WeakPolarHBondContact O-CB 3.32Å; E1198-M1202 WeakPolarHBondContact O-CG 3.48Å; E1198-M1202 PolarHBondContact O-N 2.76Å; M1202-K1204 VanDerWaalsContact C-N 3.3Å; M1202-K1204 PolarHBondContact O-N 2.8Å; M1202-G1205 PolarHBondContact O-N 3.45Å; M1202-S1206 VanDerWaalsContact O-CB 3.28Å; M1202-S1206 WeakPolarHBondContact O-CB 3.5Å; M1202-S1206 PolarHBondContact O-N 3.4Å; M1202-S1206 PolarHBondContact O-OG 3.09Å
1203	T	58.5	Low	59.4	Low	113 Å²	113	102.8 Å²	102.8	69%	0.693	58%	0.583	S	S	*	*	H	α-helix	trans	-64.1	-31.8	173.4	39	0	0	0	0	113	E1199 E1200 L1201	E1199-T1203 PolarHBondContact O-N 2.72Å; E1199-T1203 PolarHBondContact O-OG1 3.18Å; E1200-T1203 PolarHBondContact O-OG1 3.22Å; E1200-T1203 VanDerWaalsContact O-OG1 3.08Å; L1201-T1203 PolarHBondContact O-N 2.99Å
1204	K	50.4	Low	56.9	Low	125 Å²	125	109.8 Å²	109.8	54%	0.543	62%	0.619	S	S	.	*	H	α-helix	trans	-82	-16.1	177.1	-65.9	164.4	-161.8	156.3	0	113.8	E1200 L1201 M1202	E1200-K1204 WeakPolarHBondContact O-CD 3.49Å; E1200-K1204 WeakPolarHBondContact O-CE 3.24Å; E1200-K1204 VanDerWaalsContact O-CG 3.24Å; E1200-K1204 WeakPolarHBondContact O-CG 3.45Å; E1200-K1204 PolarHBondContact O-NZ 3.24Å; E1200-K1204 IonicContact OE2-NZ 3.81Å; E1200-K1204 PolarHBondContact OE2-NZ 2.98Å; L1201-K1204 PolarHBondContact O-N 3.16Å; L1201-K1204 VanDerWaalsContact O-N 3.15Å; M1202-K1204 VanDerWaalsContact C-N 3.3Å; M1202-K1204 PolarHBondContact O-N 2.8Å
1205	G	42.7	Very low	54.4	Low	61 Å²	61	112.8 Å²	112.8	63%	0.629	63%	0.632	S	S	*	*	H	α-helix	trans	-116.7	-25.4	-170.4	0	0	0	0	0	117.7	L1201 M1202 G1207	L1201-G1205 PolarHBondContact O-N 3.48Å; M1202-G1205 PolarHBondContact O-N 3.45Å; G1205-G1207 PolarHBondContact O-N 3.14Å
1206	S	36.3	Very low	51.7	Low	93 Å²	93	115.6 Å²	115.6	65%	0.65	66%	0.657	S	S	*	*			trans	-80.7	36.6	-162.8	54.7	0	0	0	0	116.6	M1202 G1208	M1202-S1206 VanDerWaalsContact O-CB 3.28Å; M1202-S1206 WeakPolarHBondContact O-CB 3.5Å; M1202-S1206 PolarHBondContact O-N 3.4Å; M1202-S1206 PolarHBondContact O-OG 3.09Å; S1206-G1208 PolarHBondContact O-N 3.03Å
1207	G	33.2	Very low	49.3	Very low	68 Å²	68	118.3 Å²	118.3	70%	0.701	69%	0.692	S	S	*	*	S	Bend	trans	-73.2	22.3	-179.6	0	0	0	0	0	117.4	G1205	G1205-G1207 PolarHBondContact O-N 3.14Å
1208	G	31.6	Very low	47.1	Very low	66 Å²	66	122.7 Å²	122.7	68%	0.68	71%	0.712	S	S	*	*			trans	127.9	103.7	173.3	0	0	0	0	0	115.4	S1206	S1206-G1208 PolarHBondContact O-N 3.03Å
1209	K	34.7	Very low	44.8	Very low	215 Å²	215	125.5 Å²	125.5	94%	0.935	74%	0.735	S	S	*	*			trans	-157.1	68.7	159.8	-112.8	-172.8	-179.5	-173	0	110.3
1210	G	35.5	Very low	42.5	Very low	77 Å²	77	126.9 Å²	126.9	79%	0.794	76%	0.756	S	S	*	*			trans	-74.3	131.5	159.7	0	0	0	0	0	108.4
1211	D	35.4	Very low	40.9	Very low	157 Å²	157	127.9 Å²	127.9	84%	0.84	78%	0.777	S	S	*	*			trans	-86.8	125	-174.9	-161.9	-3.1	0	0	0	111.2
1212	S	36.8	Very low	39.1	Very low	111 Å²	111	133.7 Å²	133.7	78%	0.776	79%	0.791	S	S	*	*			trans	-168.6	129.4	163.6	2.6	0	0	0	0	110.9
1213	K	34.3	Very low	37.7	Very low	197 Å²	197	133.2 Å²	133.2	86%	0.857	80%	0.798	S	S	*	*			trans	-74.8	134.4	175.5	-59	154.8	-174.8	161.5	0	110.1
1214	I	38	Very low	36.8	Very low	176 Å²	176	133.4 Å²	133.4	90%	0.903	80%	0.798	S	S	*	*			trans	-163.2	156.7	143.3	-104.5	150.6	0	0	0	110.1
1215	K	38.8	Very low	36.2	Very low	189 Å²	189	131.5 Å²	131.5	82%	0.822	81%	0.806	S	S	*	*			trans	-98.8	148.5	-160	-62.3	174.2	179.9	172.9	0	114.3
1216	S	34.2	Very low	36	Very low	122 Å²	122	137.4 Å²	137.4	85%	0.853	82%	0.815	S	S	*	*			trans	53.7	107.1	145	58.5	0	0	0	0	120.3
1217	G	35.3	Very low	35.9	Very low	83 Å²	83	142.4 Å²	142.4	86%	0.856	82%	0.824	S	S	*	*			trans	-162	111.8	158.5	0	0	0	0	0	111.4
1218	K	36.1	Very low	36.1	Very low	210 Å²	210	144.2 Å²	144.2	91%	0.913	82%	0.817	S	S	*	*			trans	-90.2	118.3	-177	-76.4	179.1	176.6	176.1	0	112.2
1219	T	38.1	Very low	37	Very low	153 Å²	153	146.3 Å²	146.3	94%	0.939	81%	0.813	S	S	*	*			trans	-159.7	152.9	141.7	14.8	0	0	0	0	110
1220	S	33.4	Very low	37.9	Very low	124 Å²	124	139.5 Å²	139.5	87%	0.867	79%	0.793	S	S	*	*			trans	-105.2	123.5	-160.9	54.3	0	0	0	0	115.4
1221	A	38.7	Very low	39.2	Very low	98 Å²	98	141.6 Å²	141.6	81%	0.81	78%	0.78	S	S	*	*			trans	-146.2	137.8	156.9	0	0	0	0	0	109.9
1222	R	34.4	Very low	40.8	Very low	236 Å²	236	138.4 Å²	138.4	89%	0.891	76%	0.76	S	S	*	*			trans	-90.9	133.6	-176.6	-73.7	177.4	169.3	175.4	-4.8	112.4	V1224	R1222-V1224 HydrophobicContact CB-CG2 4.29Å
1223	P	35.1	Very low	42.6	Very low	124 Å²	124	135.3 Å²	135.3	81%	0.805	74%	0.736	S	S	*	*			trans	-107.8	104.7	157.9	33.9	-23.8	0	0	0	111.1
1224	V	39.3	Very low	44.6	Very low	116 Å²	116	127.8 Å²	127.8	70%	0.703	71%	0.711	S	S	*	*			trans	-93.5	-7.8	179.4	-176.7	0	0	0	0	112.4	R1222 K1226	R1222-V1224 HydrophobicContact CB-CG2 4.29Å; V1224-K1226 PolarHBondContact O-N 3.18Å
1225	A	38.5	Very low	46.6	Very low	85 Å²	85	122.1 Å²	122.1	70%	0.702	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	27.9	-160.3	0	0	0	0	0	116.8
1226	K	37.5	Very low	48.6	Very low	186 Å²	186	114.9 Å²	114.9	81%	0.809	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.4	16.6	-174.1	-84.4	-163.2	171.8	-168.4	0	116.4	V1224	V1224-K1226 PolarHBondContact O-N 3.18Å
1227	K	35.9	Very low	50.6	Low	197 Å²	197	116.7 Å²	116.7	86%	0.857	65%	0.654	S	S	*	*	S	Bend	trans	-124.6	12.5	-180	-124.1	-173.3	-178.2	-169.1	0	115.2
1228	L	37.5	Very low	52.5	Low	106 Å²	106	121.1 Å²	121.1	56%	0.555	65%	0.652	S	S	*	*	S	Bend	trans	-101.1	-43.1	-171.6	-83.4	151.2	0	0	0	114.2	S1230 K1231	L1228-S1230 VanDerWaalsContact C-N 3.28Å; L1228-S1230 PolarHBondContact O-N 3.13Å; L1228-K1231 PolarHBondContact O-N 2.87Å
1229	N	49.5	Very low	54.6	Low	111 Å²	111	112.1 Å²	112.1	59%	0.594	62%	0.619	S	S	*	*	H	α-helix	trans	-53.8	-32.3	-166.5	-65.8	61.4	0	0	0	116	K1231 E1232	N1229-K1231 VanDerWaalsContact C-N 3.34Å; N1229-K1231 PolarHBondContact O-N 3.08Å; N1229-E1232 PolarHBondContact O-N 3.49Å
1230	S	53.2	Low	56.9	Low	72 Å²	72	109.4 Å²	109.4	50%	0.503	60%	0.602	S	S	.	*	H	α-helix	trans	-74.7	-18.8	179.5	57.4	0	0	0	0	114.4	L1228	L1228-S1230 VanDerWaalsContact C-N 3.28Å; L1228-S1230 PolarHBondContact O-N 3.13Å
1231	K	62.3	Low	59.5	Low	120 Å²	120	109.7 Å²	109.7	52%	0.522	58%	0.584	S	S	.	*	H	α-helix	trans	-85.7	-12.4	169.3	-82.3	-174.1	173.8	-86.8	0	112.8	R974 L1228 N1229 E1237	R974-K1231 PolarHBondContact NH1-O 3.35Å; R974-K1231 VanDerWaalsContact NH1-O 3.08Å; L1228-K1231 PolarHBondContact O-N 2.87Å; N1229-K1231 VanDerWaalsContact C-N 3.34Å; N1229-K1231 PolarHBondContact O-N 3.08Å; K1231-E1237 IonicContact NZ-OE1 2.63Å; K1231-E1237 PolarHBondContact NZ-OE1 2.82Å; K1231-E1237 IonicContact NZ-OE2 2.75Å; K1231-E1237 PolarHBondContact NZ-OE2 3.22Å
1232	E	70.8	Confident	61.8	Low	90 Å²	90	106.8 Å²	106.8	42%	0.421	56%	0.555	S	S	.	*	H	α-helix	trans	-81.3	-25.3	178.7	-66.4	-176.1	164.4	0	0	112.8	Y967 R974 N1229	Y967-E1232 WeakPolarHBondContact CB-O 3.49Å; R974-E1232 WeakPolarHBondContact CD-O 3.36Å; R974-E1232 PolarHBondContact NH1-O 3.13Å; N1229-E1232 PolarHBondContact O-N 3.49Å
1233	T	74	Confident	64.2	Low	46 Å²	46	101.3 Å²	101.3	28%	0.282	54%	0.539	S	S	.	.	H	α-helix	trans	-100.1	-23.2	179	62.1	0	0	0	0	114.3	T969	T969-T1233 HydrophobicContact CG2-CG2 3.65Å
1234	A	76.2	Confident	66.3	Low	40 Å²	40	95.5 Å²	95.5	33%	0.331	50%	0.501	S	S	.	.	S	Bend	trans	-68.6	154.3	173.6	0	0	0	0	0	112.1	R974	R974-A1234 WeakPolarHBondContact CD-O 3.17Å; R974-A1234 PolarHBondContact NE-O 2.89Å; R974-A1234 PolarHBondContact NH1-O 3.33Å
1235	P	80	Confident	67.9	Low	56 Å²	56	96.5 Å²	96.5	36%	0.364	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-57.2	149.5	170	-19.9	31.7	0	0	0	111.8	E929 E1237	E929-P1235 WeakPolarHBondContact OE2-CA 3.3Å; P1235-E1237 PolarHBondContact O-N 3.41Å
1236	S	80.2	Confident	69.5	Low	37 Å²	37	93.5 Å²	93.5	26%	0.259	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-68.9	123.4	-178.4	-161.4	0	0	0	0	112.4	E929 E1238 G1239	E929-S1236 PolarHBondContact OE2-N 3.14Å; S1236-E1238 PolarHBondContact O-N 3.21Å; S1236-G1239 PolarHBondContact O-N 3.49Å; S1236-G1239 VanDerWaalsContact O-N 3.08Å
1237	E	77.1	Confident	71	Confident	161 Å²	161	87.5 Å²	87.5	75%	0.752	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.4	174.2	-72	162.8	-163.3	0	0	112.8	K1231 P1235	K1231-E1237 IonicContact NZ-OE1 2.63Å; K1231-E1237 PolarHBondContact NZ-OE1 2.82Å; K1231-E1237 IonicContact NZ-OE2 2.75Å; K1231-E1237 PolarHBondContact NZ-OE2 3.22Å; P1235-E1237 PolarHBondContact O-N 3.41Å
1238	E	75	Confident	72.4	Confident	176 Å²	176	82.4 Å²	82.4	82%	0.822	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-0.2	-180	-61.3	176	169.9	0	0	113.3	S1236	S1236-E1238 PolarHBondContact O-N 3.21Å
1239	G	80.2	Confident	73.7	Confident	20 Å²	20	83 Å²	83	21%	0.206	43%	0.431	C	S	.	.			trans	-78.9	123.8	-173.7	0	0	0	0	0	113.7	S1236 R1241	S1236-G1239 PolarHBondContact O-N 3.49Å; S1236-G1239 VanDerWaalsContact O-N 3.08Å; G1239-R1241 PolarHBondContact O-N 2.68Å; G1239-R1241 VanDerWaalsContact O-N 3.1Å
1240	T	86.5	Confident	74.6	Confident	97 Å²	97	79.5 Å²	79.5	60%	0.595	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	101	174.9	-58.2	0	0	0	0	110.3	A921 L922 I1242	A921-T1240 CarbonylContact C-O 3.51Å; A921-T1240 WeakPolarHBondContact CA-O 3.38Å; L922-T1240 PolarHBondContact N-O 3.28Å; L922-T1240 PolarHBondContact O-N 2.89Å; T1240-I1242 PolarHBondContact O-N 3.26Å
1241	R	88.3	Confident	75.4	Confident	130 Å²	130	81.9 Å²	81.9	49%	0.491	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	132.5	176.6	-172.6	-172.4	-173.4	-163.5	6.7	111.4	E919 G1239	E919-R1241 IonicContact OE1-CZ 3.42Å; E919-R1241 IonicContact OE1-NE 2.78Å; E919-R1241 IonicContact OE1-NH2 3.36Å; E919-R1241 PolarHBondContact OE1-NH2 3.34Å; E919-R1241 IonicContact OE2-CZ 2.59Å; E919-R1241 IonicContact OE2-NE 3.44Å; E919-R1241 PolarHBondContact OE2-NE 2.89Å; E919-R1241 IonicContact OE2-NH2 2.7Å; E919-R1241 PolarHBondContact OE2-NH2 2.93Å; E919-R1241 VanDerWaalsContact OE2-NH2 3.15Å; G1239-R1241 PolarHBondContact O-N 2.68Å; G1239-R1241 VanDerWaalsContact O-N 3.1Å
1242	I	86.8	Confident	75.7	Confident	37 Å²	37	80.2 Å²	80.2	19%	0.19	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-96.5	123.9	173.9	-54.2	178.9	0	0	0	107.8	V920 L928 V992 H993 T1240	V920-I1242 HydrophobicContact CG1-CB 4.25Å; V920-I1242 PolarHBondContact O-N 3.02Å; L928-I1242 HydrophobicContact CD2-CD1 3.83Å; V992-I1242 HydrophobicContact CB-CD1 4.38Å; V992-I1242 HydrophobicContact CG1-CD1 4.38Å; V992-I1242 HydrophobicContact CG2-CD1 3.95Å; H993-I1242 PolarHBondContact NE2-O 3.48Å; T1240-I1242 PolarHBondContact O-N 3.26Å
1243	E	83.8	Confident	75.6	Confident	120 Å²	120	81.4 Å²	81.4	56%	0.561	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-75.3	144.5	176.9	-81.7	-138.7	-167.7	0	0	113.4	R907 H993 H1245	R907-E1243 IonicContact CZ-OE2 3.77Å; R907-E1243 IonicContact NH1-OE2 2.81Å; R907-E1243 IonicContact NH2-OE2 3.57Å; R907-E1243 PolarHBondContact NH2-OE2 3.19Å; H993-E1243 PolarHBondContact CE1-O 3.19Å; H993-E1243 PolarHBondContact NE2-O 3.19Å; H993-E1243 VanDerWaalsContact NE2-O 3.15Å; E1243-H1245 PolarHBondContact O-N 2.65Å
1244	P	80.6	Confident	75.3	Confident	2 Å²	2	79.5 Å²	79.5	1%	0.013	40%	0.399	C	S	.	.			trans	-76.6	105.7	173.9	29.1	-33.5	0	0	0	112.3	L905 R907 F917 H993 I1246	L905-P1244 HydrophobicContact CB-CG 4.44Å; L905-P1244 HydrophobicContact CD2-CG 3.82Å; R907-P1244 PolarHBondContact NH1-O 2.88Å; F917-P1244 HydrophobicContact CB-CB 3.89Å; F917-P1244 HydrophobicContact CB-CG 4Å; F917-P1244 HydrophobicContact CD1-CB 3.39Å; F917-P1244 HydrophobicContact CD1-CG 4.32Å; F917-P1244 HydrophobicContact CD2-CB 3.66Å; F917-P1244 HydrophobicContact CD2-CG 3.76Å; F917-P1244 HydrophobicContact CE1-CB 3.72Å; F917-P1244 HydrophobicContact CE2-CB 3.96Å; F917-P1244 HydrophobicContact CE2-CG 4.29Å; F917-P1244 HydrophobicContact CG-CB 3.35Å; F917-P1244 HydrophobicContact CG-CG 3.77Å; F917-P1244 HydrophobicContact CZ-CB 3.98Å; H993-P1244 VanDerWaalsContact NE2-N 3.11Å; P1244-I1246 PolarHBondContact O-N 3.46Å
1245	H	71.7	Confident	75	Confident	138 Å²	138	82.2 Å²	82.2	64%	0.639	41%	0.405	S	S	*	.			trans	-80.3	115.3	175.9	-170.5	-65.4	0	0	0	112.3	E1243 T1247	E1243-H1245 PolarHBondContact O-N 2.65Å; H1245-T1247 PolarHBondContact O-N 3.29Å
1246	I	71.8	Confident	74.6	Confident	21 Å²	21	85.6 Å²	85.6	11%	0.108	41%	0.414	C	S	.	.			trans	-74.7	106.2	169	-61.6	161.9	0	0	0	108	R907 L909 F917 P1244 L1250 R1251	R907-I1246 HydrophobicContact CB-CD1 3.93Å; R907-I1246 HydrophobicContact CG-CD1 4.43Å; L909-I1246 HydrophobicContact CD2-CD1 3.74Å; L909-I1246 HydrophobicContact CD2-CG1 4.09Å; L909-I1246 HydrophobicContact CD2-CG2 3.61Å; F917-I1246 HydrophobicContact CE2-CG1 4.31Å; F917-I1246 HydrophobicContact CZ-CG1 4.05Å; P1244-I1246 PolarHBondContact O-N 3.46Å; I1246-L1250 HydrophobicContact CG2-CB 4.48Å; I1246-R1251 HydrophobicContact CG2-CG 4.03Å
1247	T	68.7	Low	74.1	Confident	60 Å²	60	85.1 Å²	85.1	37%	0.368	41%	0.409	S	S	.	.			trans	-68.6	148.3	177.9	59.5	0	0	0	0	111.6	H1245 E1249 L1250 R1251	H1245-T1247 PolarHBondContact O-N 3.29Å; T1247-E1249 PolarHBondContact O-N 3.03Å; T1247-L1250 WeakPolarHBondContact O-CA 3.31Å; T1247-L1250 WeakPolarHBondContact O-CB 3.48Å; T1247-L1250 PolarHBondContact O-N 3Å; T1247-R1251 PolarHBondContact O-N 3.47Å
1248	D	65.4	Low	73.7	Confident	90 Å²	90	78.4 Å²	78.4	48%	0.481	38%	0.378	S	S	.	.	H	α-helix	trans	-67	-22.7	178.7	-58.7	-53.6	0	0	0	112.4	L1250 R1251 L1252	D1248-L1250 PolarHBondContact O-N 3.21Å; D1248-R1251 PolarHBondContact O-N 3.05Å; D1248-R1251 IonicContact OD1-CZ 3.58Å; D1248-R1251 IonicContact OD1-NH1 3.82Å; D1248-R1251 PolarHBondContact OD1-NH1 2.88Å; D1248-L1252 VanDerWaalsContact O-CB 3.26Å; D1248-L1252 WeakPolarHBondContact O-CB 3.4Å; D1248-L1252 WeakPolarHBondContact O-CD1 3.11Å; D1248-L1252 WeakPolarHBondContact O-CG 3.35Å; D1248-L1252 PolarHBondContact O-N 3.33Å
1249	E	66.3	Low	73.5	Confident	119 Å²	119	74 Å²	74	56%	0.556	36%	0.358	S	S	*	.	H	α-helix	trans	-53.7	-41.4	164.5	-79.5	-158.5	-176.4	0	0	112.7	T1247 K1253	T1247-E1249 PolarHBondContact O-N 3.03Å; E1249-K1253 VanDerWaalsContact O-CB 3.24Å; E1249-K1253 WeakPolarHBondContact O-CB 3.42Å; E1249-K1253 VanDerWaalsContact O-CD 3.29Å; E1249-K1253 WeakPolarHBondContact O-CD 3.39Å; E1249-K1253 WeakPolarHBondContact O-CG 3.36Å; E1249-K1253 PolarHBondContact O-N 3.36Å; E1249-K1253 IonicContact OE2-NZ 2.86Å; E1249-K1253 PolarHBondContact OE2-NZ 2.87Å
1250	L	67.6	Low	73.1	Confident	38 Å²	38	74.7 Å²	74.7	20%	0.199	36%	0.361	C	S	.	.	H	α-helix	trans	-71.6	-43.1	-178.4	-99.7	162.4	0	0	0	111	F1001 I1246 T1247 D1248 K1253 V1254	F1001-L1250 HydrophobicContact CE1-CD2 4.03Å; F1001-L1250 HydrophobicContact CZ-CD2 3.67Å; I1246-L1250 HydrophobicContact CG2-CB 4.48Å; T1247-L1250 WeakPolarHBondContact O-CA 3.31Å; T1247-L1250 WeakPolarHBondContact O-CB 3.48Å; T1247-L1250 PolarHBondContact O-N 3Å; D1248-L1250 PolarHBondContact O-N 3.21Å; L1250-K1253 PolarHBondContact O-N 3.33Å; L1250-V1254 WeakPolarHBondContact O-CG2 3.46Å; L1250-V1254 PolarHBondContact O-N 2.82Å
1251	R	70	Confident	72.3	Confident	122 Å²	122	72.4 Å²	72.4	46%	0.46	34%	0.343	S	S	.	.	H	α-helix	trans	-56.9	-55.4	171	-71.9	175.3	170.8	149.8	-8.9	111.3	I1246 T1247 D1248 K1253 V1254 E1255	I1246-R1251 HydrophobicContact CG2-CG 4.03Å; T1247-R1251 PolarHBondContact O-N 3.47Å; D1248-R1251 PolarHBondContact O-N 3.05Å; D1248-R1251 IonicContact OD1-CZ 3.58Å; D1248-R1251 IonicContact OD1-NH1 3.82Å; D1248-R1251 PolarHBondContact OD1-NH1 2.88Å; R1251-K1253 PolarHBondContact O-N 3.23Å; R1251-V1254 PolarHBondContact O-N 3.2Å; R1251-E1255 WeakPolarHBondContact O-CG 3.38Å; R1251-E1255 PolarHBondContact O-N 2.88Å
1252	L	68.7	Low	71.4	Confident	84 Å²	84	72 Å²	72	44%	0.44	35%	0.347	S	S	.	.	H	α-helix	trans	-60.1	-30.5	178.7	-69.8	166.8	0	0	0	113.1	D1248 K1256	D1248-L1252 VanDerWaalsContact O-CB 3.26Å; D1248-L1252 WeakPolarHBondContact O-CB 3.4Å; D1248-L1252 WeakPolarHBondContact O-CD1 3.11Å; D1248-L1252 WeakPolarHBondContact O-CG 3.35Å; D1248-L1252 PolarHBondContact O-N 3.33Å; L1252-K1256 VanDerWaalsContact O-CB 3.3Å; L1252-K1256 WeakPolarHBondContact O-CB 3.23Å; L1252-K1256 VanDerWaalsContact O-CD 3.32Å; L1252-K1256 WeakPolarHBondContact O-CD 3.48Å; L1252-K1256 WeakPolarHBondContact O-CG 3.47Å; L1252-K1256 PolarHBondContact O-N 2.76Å; L1252-K1256 VanDerWaalsContact O-N 3.15Å
1253	K	68.5	Low	70.7	Confident	115 Å²	115	75.4 Å²	75.4	50%	0.5	36%	0.357	S	S	.	.	H	α-helix	trans	-71.8	-40.9	172.7	-79.3	162.7	-177.5	163	0	111.7	E1249 L1250 R1251 V1257	E1249-K1253 VanDerWaalsContact O-CB 3.24Å; E1249-K1253 WeakPolarHBondContact O-CB 3.42Å; E1249-K1253 VanDerWaalsContact O-CD 3.29Å; E1249-K1253 WeakPolarHBondContact O-CD 3.39Å; E1249-K1253 WeakPolarHBondContact O-CG 3.36Å; E1249-K1253 PolarHBondContact O-N 3.36Å; E1249-K1253 IonicContact OE2-NZ 2.86Å; E1249-K1253 PolarHBondContact OE2-NZ 2.87Å; L1250-K1253 PolarHBondContact O-N 3.33Å; R1251-K1253 PolarHBondContact O-N 3.23Å; K1253-V1257 WeakPolarHBondContact O-CG2 2.94Å; K1253-V1257 PolarHBondContact O-N 3.19Å
1254	V	67.9	Low	70	Confident	7 Å²	7	76.2 Å²	76.2	4%	0.042	36%	0.361	C	S	.	.	H	α-helix	trans	-67.7	-48.4	175.5	172.8	0	0	0	0	111.1	L909 L1250 R1251 K1256 V1257 D1258	L909-V1254 HydrophobicContact CB-CG2 4.43Å; L909-V1254 HydrophobicContact CD1-CG2 4.37Å; L1250-V1254 WeakPolarHBondContact O-CG2 3.46Å; L1250-V1254 PolarHBondContact O-N 2.82Å; R1251-V1254 PolarHBondContact O-N 3.2Å; V1254-K1256 VanDerWaalsContact C-N 3.31Å; V1254-K1256 PolarHBondContact O-N 2.84Å; V1254-V1257 CarbonylContact O-C 3.28Å; V1254-V1257 WeakPolarHBondContact O-CA 3.32Å; V1254-V1257 WeakPolarHBondContact O-CB 3.39Å; V1254-V1257 PolarHBondContact O-N 3.01Å; V1254-D1258 PolarHBondContact O-N 2.95Å
1255	E	70	Confident	69.7	Low	97 Å²	97	80.6 Å²	80.6	45%	0.453	38%	0.384	S	S	.	.	H	α-helix	trans	-54.5	-45	174.5	-72	170.5	-163.1	0	0	112.2	R1251 V1257 D1258 Q1259	R1251-E1255 WeakPolarHBondContact O-CG 3.38Å; R1251-E1255 PolarHBondContact O-N 2.88Å; E1255-V1257 PolarHBondContact O-N 2.89Å; E1255-D1258 PolarHBondContact O-N 2.67Å; E1255-Q1259 VanDerWaalsContact O-CB 3.28Å; E1255-Q1259 WeakPolarHBondContact O-CB 3.43Å; E1255-Q1259 VanDerWaalsContact O-CG 3.3Å; E1255-Q1259 WeakPolarHBondContact O-CG 3.49Å; E1255-Q1259 PolarHBondContact O-N 3.05Å
1256	K	72.1	Confident	69.8	Low	126 Å²	126	78.4 Å²	78.4	55%	0.548	38%	0.375	S	S	.	.	H	α-helix	trans	-65.7	-21.4	175.7	-75.7	171.1	-173.9	174.5	0	113.3	L1252 V1254 A1260 K1350	L1252-K1256 VanDerWaalsContact O-CB 3.3Å; L1252-K1256 WeakPolarHBondContact O-CB 3.23Å; L1252-K1256 VanDerWaalsContact O-CD 3.32Å; L1252-K1256 WeakPolarHBondContact O-CD 3.48Å; L1252-K1256 WeakPolarHBondContact O-CG 3.47Å; L1252-K1256 PolarHBondContact O-N 2.76Å; L1252-K1256 VanDerWaalsContact O-N 3.15Å; V1254-K1256 VanDerWaalsContact C-N 3.31Å; V1254-K1256 PolarHBondContact O-N 2.84Å; K1256-A1260 WeakPolarHBondContact O-CB 3.1Å; K1256-K1350 PolarHBondContact O-NZ 2.98Å
1257	V	69.2	Low	70	Confident	28 Å²	28	78.7 Å²	78.7	17%	0.17	38%	0.376	C	S	.	.	H	α-helix	trans	-82.1	-47.7	172.8	168.7	0	0	0	0	110.2	K1253 V1254 E1255 A1260 K1261 K1350	K1253-V1257 WeakPolarHBondContact O-CG2 2.94Å; K1253-V1257 PolarHBondContact O-N 3.19Å; V1254-V1257 CarbonylContact O-C 3.28Å; V1254-V1257 WeakPolarHBondContact O-CA 3.32Å; V1254-V1257 WeakPolarHBondContact O-CB 3.39Å; V1254-V1257 PolarHBondContact O-N 3.01Å; E1255-V1257 PolarHBondContact O-N 2.89Å; V1257-A1260 WeakPolarHBondContact O-CA 3.4Å; V1257-A1260 WeakPolarHBondContact O-CB 3.49Å; V1257-A1260 PolarHBondContact O-N 3.2Å; V1257-K1261 PolarHBondContact O-N 3.46Å; V1257-K1350 HydrophobicContact CG2-CD 4.39Å
1258	D	69.6	Low	70.1	Confident	19 Å²	19	81.9 Å²	81.9	10%	0.102	39%	0.385	C	S	.	.	H	α-helix	trans	-68.7	-38.6	-178.3	-77.4	8.9	0	0	0	111.7	S911 V1254 E1255 A1260 K1261 Q1262	S911-D1258 PolarHBondContact N-OD2 3.36Å; S911-D1258 PolarHBondContact OG-OD2 3.25Å; V1254-D1258 PolarHBondContact O-N 2.95Å; E1255-D1258 PolarHBondContact O-N 2.67Å; D1258-A1260 PolarHBondContact O-N 3.01Å; D1258-K1261 PolarHBondContact O-N 3.37Å; D1258-K1261 IonicContact OD1-NZ 2.74Å; D1258-Q1262 WeakPolarHBondContact O-CB 3.26Å; D1258-Q1262 WeakPolarHBondContact O-CG 3.35Å; D1258-Q1262 PolarHBondContact O-N 2.9Å
1259	Q	70.8	Confident	70.6	Confident	84 Å²	84	81.4 Å²	81.4	39%	0.393	38%	0.38	S	S	.	.	H	α-helix	trans	-61.3	-28.6	168.5	-73.8	-173.4	29.4	0	0	113.3	E1255 R1263	E1255-Q1259 VanDerWaalsContact O-CB 3.28Å; E1255-Q1259 WeakPolarHBondContact O-CB 3.43Å; E1255-Q1259 VanDerWaalsContact O-CG 3.3Å; E1255-Q1259 WeakPolarHBondContact O-CG 3.49Å; E1255-Q1259 PolarHBondContact O-N 3.05Å; Q1259-R1263 WeakPolarHBondContact O-CD 3.36Å; Q1259-R1263 WeakPolarHBondContact O-CG 3.4Å; Q1259-R1263 PolarHBondContact O-N 2.99Å; Q1259-R1263 PolarHBondContact O-NE 3.48Å
1260	A	71.8	Confident	71.1	Confident	34 Å²	34	76 Å²	76	28%	0.281	36%	0.356	S	S	.	.	H	α-helix	trans	-77.3	-42.9	176.5	0	0	0	0	0	110.9	K1256 V1257 D1258 R1263 Q1264	K1256-A1260 WeakPolarHBondContact O-CB 3.1Å; V1257-A1260 WeakPolarHBondContact O-CA 3.4Å; V1257-A1260 WeakPolarHBondContact O-CB 3.49Å; V1257-A1260 PolarHBondContact O-N 3.2Å; D1258-A1260 PolarHBondContact O-N 3.01Å; A1260-R1263 PolarHBondContact O-N 3.23Å; A1260-Q1264 PolarHBondContact O-N 3.35Å
1261	K	68.3	Low	71.4	Confident	49 Å²	49	78.8 Å²	78.8	21%	0.213	37%	0.368	C	S	.	.	H	α-helix	trans	-56.3	-50.3	171	-73	178	171.1	-179.7	0	111.4	V1257 D1258 R1263 Q1264 I1265	V1257-K1261 PolarHBondContact O-N 3.46Å; D1258-K1261 PolarHBondContact O-N 3.37Å; D1258-K1261 IonicContact OD1-NZ 2.74Å; K1261-R1263 VanDerWaalsContact C-N 3.3Å; K1261-R1263 PolarHBondContact O-N 2.75Å; K1261-Q1264 WeakPolarHBondContact O-CB 3.41Å; K1261-Q1264 PolarHBondContact O-N 2.93Å; K1261-Q1264 VanDerWaalsContact O-N 3.08Å; K1261-I1265 WeakPolarHBondContact O-CG1 3.47Å; K1261-I1265 PolarHBondContact O-N 2.79Å
1262	Q	68.9	Low	71.7	Confident	122 Å²	122	79.7 Å²	79.7	57%	0.57	38%	0.381	S	S	*	.	H	α-helix	trans	-61.3	-36.5	179	-76.1	175.8	-30.7	0	0	112.4	D1258 I1265 M1266	D1258-Q1262 WeakPolarHBondContact O-CB 3.26Å; D1258-Q1262 WeakPolarHBondContact O-CG 3.35Å; D1258-Q1262 PolarHBondContact O-N 2.9Å; Q1262-I1265 PolarHBondContact O-N 2.94Å; Q1262-M1266 WeakPolarHBondContact O-CG 3.48Å; Q1262-M1266 PolarHBondContact O-N 3.06Å
1263	R	72.7	Confident	72.1	Confident	108 Å²	108	84.5 Å²	84.5	41%	0.408	39%	0.393	S	S	.	.	H	α-helix	trans	-66.4	-38.4	172.5	-71.1	169.7	-148.4	-158.3	7	112.4	Q1259 A1260 K1261 M1266 I1267	Q1259-R1263 WeakPolarHBondContact O-CD 3.36Å; Q1259-R1263 WeakPolarHBondContact O-CG 3.4Å; Q1259-R1263 PolarHBondContact O-N 2.99Å; Q1259-R1263 PolarHBondContact O-NE 3.48Å; A1260-R1263 PolarHBondContact O-N 3.23Å; K1261-R1263 VanDerWaalsContact C-N 3.3Å; K1261-R1263 PolarHBondContact O-N 2.75Å; R1263-M1266 HydrophobicContact CG-CE 4.07Å; R1263-M1266 PolarHBondContact O-N 3.45Å; R1263-I1267 VanDerWaalsContact O-CG1 3.24Å; R1263-I1267 WeakPolarHBondContact O-CG1 3.35Å; R1263-I1267 PolarHBondContact O-N 3.32Å
1264	Q	70.1	Confident	72.2	Confident	137 Å²	137	82 Å²	82	64%	0.64	40%	0.4	S	S	*	.	H	α-helix	trans	-65.4	-40.1	173.2	-73.5	178.7	-50.7	0	0	112.2	A1260 K1261 I1267 K1268	A1260-Q1264 PolarHBondContact O-N 3.35Å; K1261-Q1264 WeakPolarHBondContact O-CB 3.41Å; K1261-Q1264 PolarHBondContact O-N 2.93Å; K1261-Q1264 VanDerWaalsContact O-N 3.08Å; Q1264-I1267 PolarHBondContact O-N 3.36Å; Q1264-K1268 PolarHBondContact O-N 2.91Å
1265	I	73.2	Confident	72.8	Confident	95 Å²	95	85.3 Å²	85.3	49%	0.487	42%	0.417	S	S	.	.	H	α-helix	trans	-61.5	-49.8	174.5	-66	165	0	0	0	110.1	K1261 Q1262 I1267 K1268 E1269	K1261-I1265 WeakPolarHBondContact O-CG1 3.47Å; K1261-I1265 PolarHBondContact O-N 2.79Å; Q1262-I1265 PolarHBondContact O-N 2.94Å; I1265-I1267 VanDerWaalsContact C-N 3.27Å; I1265-I1267 PolarHBondContact O-N 3.47Å; I1265-K1268 PolarHBondContact O-N 2.94Å; I1265-K1268 VanDerWaalsContact O-N 3.16Å; I1265-E1269 HydrophobicContact CG2-CG 4.49Å; I1265-E1269 WeakPolarHBondContact O-CB 3.16Å; I1265-E1269 PolarHBondContact O-N 2.95Å
1266	M	75.1	Confident	73	Confident	91 Å²	91	84.4 Å²	84.4	45%	0.448	43%	0.427	S	S	.	.	H	α-helix	trans	-60.4	-33.1	175.8	-72.3	-174.9	-69	0	0	113.2	Q1262 R1263 A1270 L1282	Q1262-M1266 WeakPolarHBondContact O-CG 3.48Å; Q1262-M1266 PolarHBondContact O-N 3.06Å; R1263-M1266 HydrophobicContact CG-CE 4.07Å; R1263-M1266 PolarHBondContact O-N 3.45Å; M1266-A1270 VanDerWaalsContact O-CB 3.28Å; M1266-A1270 WeakPolarHBondContact O-CB 3.42Å; M1266-A1270 PolarHBondContact O-N 3.12Å; M1266-L1282 HydrophobicContact CB-CD1 3.88Å; M1266-L1282 HydrophobicContact CB-CD2 4.17Å; M1266-L1282 HydrophobicContact CE-CD2 4.29Å; M1266-L1282 WeakPolarHBondContact O-CD1 3.35Å
1267	I	75.2	Confident	73.1	Confident	28 Å²	28	84.7 Å²	84.7	14%	0.144	43%	0.434	C	S	.	.	H	α-helix	trans	-66.7	-50.6	173.4	-72.4	164.4	0	0	0	110.3	R1263 Q1264 I1265 E1269 A1270 E1271 L1282 K1283	R1263-I1267 VanDerWaalsContact O-CG1 3.24Å; R1263-I1267 WeakPolarHBondContact O-CG1 3.35Å; R1263-I1267 PolarHBondContact O-N 3.32Å; Q1264-I1267 PolarHBondContact O-N 3.36Å; I1265-I1267 VanDerWaalsContact C-N 3.27Å; I1265-I1267 PolarHBondContact O-N 3.47Å; I1267-E1269 VanDerWaalsContact C-N 3.3Å; I1267-E1269 PolarHBondContact O-N 2.86Å; I1267-A1270 PolarHBondContact O-N 2.81Å; I1267-A1270 VanDerWaalsContact O-N 3.14Å; I1267-E1271 HydrophobicContact CG2-CG 4.38Å; I1267-E1271 WeakPolarHBondContact O-CG 3.45Å; I1267-E1271 PolarHBondContact O-N 2.94Å; I1267-L1282 HydrophobicContact CD1-CB 4.14Å; I1267-L1282 HydrophobicContact CG1-CB 3.54Å; I1267-L1282 HydrophobicContact CG1-CD1 3.96Å; I1267-L1282 HydrophobicContact CG1-CG 4.31Å; I1267-K1283 HydrophobicContact CD1-CG 4.16Å
1268	K	71.2	Confident	73.4	Confident	127 Å²	127	84.6 Å²	84.6	55%	0.552	44%	0.436	S	S	*	.	H	α-helix	trans	-64.8	-34.5	-179.7	-166.6	165.9	-175.7	171.4	0	111.7	Q1264 I1265 L1272	Q1264-K1268 PolarHBondContact O-N 2.91Å; I1265-K1268 PolarHBondContact O-N 2.94Å; I1265-K1268 VanDerWaalsContact O-N 3.16Å; K1268-L1272 HydrophobicContact CG-CD1 4.32Å; K1268-L1272 WeakPolarHBondContact O-CB 3.33Å; K1268-L1272 WeakPolarHBondContact O-CD1 3.25Å; K1268-L1272 WeakPolarHBondContact O-CG 3.48Å; K1268-L1272 PolarHBondContact O-N 2.83Å
1269	E	74.9	Confident	73.7	Confident	80 Å²	80	84.6 Å²	84.6	37%	0.374	44%	0.437	S	S	.	.	H	α-helix	trans	-66.4	-41.3	170.9	-78	-170.4	-131.5	0	0	113.2	I1265 I1267 L1272 R1273	I1265-E1269 HydrophobicContact CG2-CG 4.49Å; I1265-E1269 WeakPolarHBondContact O-CB 3.16Å; I1265-E1269 PolarHBondContact O-N 2.95Å; I1267-E1269 VanDerWaalsContact C-N 3.3Å; I1267-E1269 PolarHBondContact O-N 2.86Å; E1269-L1272 PolarHBondContact O-N 3.49Å; E1269-R1273 WeakPolarHBondContact O-CB 3.43Å; E1269-R1273 WeakPolarHBondContact O-CD 3.49Å; E1269-R1273 WeakPolarHBondContact O-CG 3.49Å; E1269-R1273 PolarHBondContact O-N 2.92Å; E1269-R1273 IonicContact OE2-CZ 3.04Å; E1269-R1273 IonicContact OE2-NE 3.7Å; E1269-R1273 IonicContact OE2-NH2 3.42Å; E1269-R1273 PolarHBondContact OE2-NH2 2.84Å
1270	A	76.9	Confident	73.8	Confident	6 Å²	6	82 Å²	82	5%	0.05	43%	0.433	C	S	.	.	H	α-helix	trans	-67.5	-37.9	176.4	0	0	0	0	0	111.7	M1266 I1267 R1273 G1274 D1275 A1278 V1279 L1282	M1266-A1270 VanDerWaalsContact O-CB 3.28Å; M1266-A1270 WeakPolarHBondContact O-CB 3.42Å; M1266-A1270 PolarHBondContact O-N 3.12Å; I1267-A1270 PolarHBondContact O-N 2.81Å; I1267-A1270 VanDerWaalsContact O-N 3.14Å; A1270-R1273 PolarHBondContact O-N 3.2Å; A1270-G1274 PolarHBondContact O-N 2.85Å; A1270-G1274 VanDerWaalsContact O-N 3.1Å; A1270-D1275 PolarHBondContact O-N 2.89Å; A1270-A1278 HydrophobicContact CB-CB 3.9Å; A1270-V1279 HydrophobicContact CB-CG2 3.52Å; A1270-L1282 HydrophobicContact CB-CD1 4.3Å
1271	E	75.4	Confident	74.1	Confident	95 Å²	95	86 Å²	86	44%	0.444	45%	0.449	S	S	.	.	H	α-helix	trans	-63.2	-45.6	172.8	-71.1	170	163.1	0	0	111.3	I1267 R1273 G1274 V1279 K1283	I1267-E1271 HydrophobicContact CG2-CG 4.38Å; I1267-E1271 WeakPolarHBondContact O-CG 3.45Å; I1267-E1271 PolarHBondContact O-N 2.94Å; E1271-R1273 VanDerWaalsContact C-N 3.26Å; E1271-R1273 PolarHBondContact O-N 2.83Å; E1271-G1274 PolarHBondContact O-N 2.87Å; E1271-G1274 VanDerWaalsContact O-N 3.1Å; E1271-V1279 HydrophobicContact CB-CG2 4.46Å; E1271-V1279 HydrophobicContact CG-CG1 4.19Å; E1271-V1279 HydrophobicContact CG-CG2 3.57Å; E1271-K1283 WeakPolarHBondContact OE1-CE 3.41Å; E1271-K1283 IonicContact OE1-NZ 3.69Å; E1271-K1283 PolarHBondContact OE1-NZ 3.09Å
1272	L	74.4	Confident	74.4	Confident	142 Å²	142	85.4 Å²	85.4	74%	0.743	45%	0.448	S	S	*	.	H	α-helix	trans	-63.7	-26.4	174.5	-76.3	166.5	0	0	0	113.9	K1268 E1269	K1268-L1272 HydrophobicContact CG-CD1 4.32Å; K1268-L1272 WeakPolarHBondContact O-CB 3.33Å; K1268-L1272 WeakPolarHBondContact O-CD1 3.25Å; K1268-L1272 WeakPolarHBondContact O-CG 3.48Å; K1268-L1272 PolarHBondContact O-N 2.83Å; E1269-L1272 PolarHBondContact O-N 3.49Å
1273	R	77.9	Confident	74.7	Confident	185 Å²	185	84.5 Å²	84.5	70%	0.698	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-7.1	175.3	-66.7	168.7	-161	-146.4	9.2	113.4	E1269 A1270 E1271 D1275	E1269-R1273 WeakPolarHBondContact O-CB 3.43Å; E1269-R1273 WeakPolarHBondContact O-CD 3.49Å; E1269-R1273 WeakPolarHBondContact O-CG 3.49Å; E1269-R1273 PolarHBondContact O-N 2.92Å; E1269-R1273 IonicContact OE2-CZ 3.04Å; E1269-R1273 IonicContact OE2-NE 3.7Å; E1269-R1273 IonicContact OE2-NH2 3.42Å; E1269-R1273 PolarHBondContact OE2-NH2 2.84Å; A1270-R1273 PolarHBondContact O-N 3.2Å; E1271-R1273 VanDerWaalsContact C-N 3.26Å; E1271-R1273 PolarHBondContact O-N 2.83Å; R1273-D1275 VanDerWaalsContact C-N 3.26Å; R1273-D1275 PolarHBondContact O-N 3.5Å
1274	G	70.6	Confident	74.2	Confident	62 Å²	62	87 Å²	87	64%	0.639	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	15.5	-174.3	0	0	0	0	0	114.8	A1270 E1271 A1276	A1270-G1274 PolarHBondContact O-N 2.85Å; A1270-G1274 VanDerWaalsContact O-N 3.1Å; E1271-G1274 PolarHBondContact O-N 2.87Å; E1271-G1274 VanDerWaalsContact O-N 3.1Å; G1274-A1276 PolarHBondContact O-N 2.85Å
1275	D	80.3	Confident	73.5	Confident	76 Å²	76	89 Å²	89	41%	0.406	46%	0.458	S	S	.	.			trans	-83.4	82.9	-175.9	-171.2	-20.1	0	0	0	111	A1270 R1273 D1277 A1278 V1279	A1270-D1275 PolarHBondContact O-N 2.89Å; R1273-D1275 VanDerWaalsContact C-N 3.26Å; R1273-D1275 PolarHBondContact O-N 3.5Å; D1275-D1277 PolarHBondContact O-N 2.86Å; D1275-D1277 PolarHBondContact OD1-N 2.76Å; D1275-A1278 HydrophobicContact CB-CB 3.98Å; D1275-A1278 PolarHBondContact O-N 2.81Å; D1275-A1278 WeakPolarHBondContact OD1-CB 3.45Å; D1275-A1278 PolarHBondContact OD1-N 2.83Å; D1275-A1278 WeakPolarHBondContact OD2-CB 3.32Å; D1275-V1279 VanDerWaalsContact O-CG2 3.27Å; D1275-V1279 WeakPolarHBondContact O-CG2 3.38Å; D1275-V1279 PolarHBondContact O-N 3.11Å
1276	A	74.7	Confident	72.4	Confident	79 Å²	79	88.7 Å²	88.7	65%	0.653	46%	0.46	S	S	*	.	H	α-helix	trans	-59.9	-31.5	-178.1	0	0	0	0	0	113.4	G1274 G1280	G1274-A1276 PolarHBondContact O-N 2.85Å; A1276-G1280 PolarHBondContact O-N 2.72Å
1277	D	73.2	Confident	70.9	Confident	132 Å²	132	94.3 Å²	94.3	71%	0.706	48%	0.476	S	S	*	.	H	α-helix	trans	-74	-42.6	178.3	-83.2	-37.2	0	0	0	111.6	D1275 G1280 L1281	D1275-D1277 PolarHBondContact O-N 2.86Å; D1275-D1277 PolarHBondContact OD1-N 2.76Å; D1277-G1280 PolarHBondContact O-N 2.72Å; D1277-L1281 WeakPolarHBondContact O-CB 3.37Å; D1277-L1281 WeakPolarHBondContact O-CG 3.37Å; D1277-L1281 PolarHBondContact O-N 2.7Å
1278	A	76.8	Confident	69	Low	25 Å²	25	98.7 Å²	98.7	21%	0.207	51%	0.505	C	S	.	.	H	α-helix	trans	-62.2	-43.6	172.5	0	0	0	0	0	111.5	A1270 D1275 G1280 L1281 L1282	A1270-A1278 HydrophobicContact CB-CB 3.9Å; D1275-A1278 HydrophobicContact CB-CB 3.98Å; D1275-A1278 PolarHBondContact O-N 2.81Å; D1275-A1278 WeakPolarHBondContact OD1-CB 3.45Å; D1275-A1278 PolarHBondContact OD1-N 2.83Å; D1275-A1278 WeakPolarHBondContact OD2-CB 3.32Å; A1278-G1280 VanDerWaalsContact C-N 3.34Å; A1278-G1280 PolarHBondContact O-N 3.19Å; A1278-L1281 PolarHBondContact O-N 2.71Å; A1278-L1282 WeakPolarHBondContact O-CB 3.19Å; A1278-L1282 WeakPolarHBondContact O-CD1 3.2Å; A1278-L1282 VanDerWaalsContact O-CG 3.22Å; A1278-L1282 WeakPolarHBondContact O-CG 3.48Å; A1278-L1282 PolarHBondContact O-N 3.39Å
1279	V	76.2	Confident	67.1	Low	20 Å²	20	96.7 Å²	96.7	12%	0.121	51%	0.512	C	S	.	.	H	α-helix	trans	-59	-45.3	173.7	174.9	0	0	0	0	110.8	A1270 E1271 D1275 L1282 K1283	A1270-V1279 HydrophobicContact CB-CG2 3.52Å; E1271-V1279 HydrophobicContact CB-CG2 4.46Å; E1271-V1279 HydrophobicContact CG-CG1 4.19Å; E1271-V1279 HydrophobicContact CG-CG2 3.57Å; D1275-V1279 VanDerWaalsContact O-CG2 3.27Å; D1275-V1279 WeakPolarHBondContact O-CG2 3.38Å; D1275-V1279 PolarHBondContact O-N 3.11Å; V1279-L1282 PolarHBondContact O-N 2.83Å; V1279-K1283 HydrophobicContact CG1-CD 3.78Å; V1279-K1283 HydrophobicContact CG1-CG 4.46Å; V1279-K1283 WeakPolarHBondContact O-CB 3.3Å; V1279-K1283 WeakPolarHBondContact O-CG 3.16Å; V1279-K1283 PolarHBondContact O-N 3.04Å
1280	G	71.6	Confident	65	Low	30 Å²	30	101.6 Å²	101.6	31%	0.309	53%	0.532	S	S	.	.	H	α-helix	trans	-62.7	-43.1	177.1	0	0	0	0	0	113.3	A1276 D1277 A1278 K1284	A1276-G1280 PolarHBondContact O-N 2.72Å; D1277-G1280 PolarHBondContact O-N 2.72Å; A1278-G1280 VanDerWaalsContact C-N 3.34Å; A1278-G1280 PolarHBondContact O-N 3.19Å; G1280-K1284 VanDerWaalsContact O-CB 3.28Å; G1280-K1284 WeakPolarHBondContact O-CB 3.48Å; G1280-K1284 VanDerWaalsContact O-CG 3.29Å; G1280-K1284 WeakPolarHBondContact O-CG 3.49Å; G1280-K1284 PolarHBondContact O-N 2.9Å
1281	L	78.1	Confident	62.9	Low	118 Å²	118	106.9 Å²	106.9	62%	0.618	57%	0.566	S	S	*	*	H	α-helix	trans	-65.3	-44.7	176.4	-80.8	163.6	0	0	0	112.2	D1277 A1278 R1285	D1277-L1281 WeakPolarHBondContact O-CB 3.37Å; D1277-L1281 WeakPolarHBondContact O-CG 3.37Å; D1277-L1281 PolarHBondContact O-N 2.7Å; A1278-L1281 PolarHBondContact O-N 2.71Å; L1281-R1285 WeakPolarHBondContact O-CG 3.35Å; L1281-R1285 PolarHBondContact O-N 3.11Å
1282	L	76	Confident	60.7	Low	36 Å²	36	111.8 Å²	111.8	19%	0.188	59%	0.585	C	S	.	*	H	α-helix	trans	-65.2	-45	178	-70.7	164.3	0	0	0	111.1	M1266 I1267 A1270 A1278 V1279 R1285	M1266-L1282 HydrophobicContact CB-CD1 3.88Å; M1266-L1282 HydrophobicContact CB-CD2 4.17Å; M1266-L1282 HydrophobicContact CE-CD2 4.29Å; M1266-L1282 WeakPolarHBondContact O-CD1 3.35Å; I1267-L1282 HydrophobicContact CD1-CB 4.14Å; I1267-L1282 HydrophobicContact CG1-CB 3.54Å; I1267-L1282 HydrophobicContact CG1-CD1 3.96Å; I1267-L1282 HydrophobicContact CG1-CG 4.31Å; A1270-L1282 HydrophobicContact CB-CD1 4.3Å; A1278-L1282 WeakPolarHBondContact O-CB 3.19Å; A1278-L1282 WeakPolarHBondContact O-CD1 3.2Å; A1278-L1282 VanDerWaalsContact O-CG 3.22Å; A1278-L1282 WeakPolarHBondContact O-CG 3.48Å; A1278-L1282 PolarHBondContact O-N 3.39Å; V1279-L1282 PolarHBondContact O-N 2.83Å; L1282-R1285 PolarHBondContact O-N 2.91Å
1283	K	73.4	Confident	58.7	Low	102 Å²	102	111.2 Å²	111.2	44%	0.443	59%	0.588	S	S	.	*	H	α-helix	trans	-70.3	-31.6	178.1	-69.7	178.1	-177	170.4	0	113.2	I1267 E1271 V1279 R1285 T1286	I1267-K1283 HydrophobicContact CD1-CG 4.16Å; E1271-K1283 WeakPolarHBondContact OE1-CE 3.41Å; E1271-K1283 IonicContact OE1-NZ 3.69Å; E1271-K1283 PolarHBondContact OE1-NZ 3.09Å; V1279-K1283 HydrophobicContact CG1-CD 3.78Å; V1279-K1283 HydrophobicContact CG1-CG 4.46Å; V1279-K1283 WeakPolarHBondContact O-CB 3.3Å; V1279-K1283 WeakPolarHBondContact O-CG 3.16Å; V1279-K1283 PolarHBondContact O-N 3.04Å; K1283-R1285 PolarHBondContact O-N 2.81Å; K1283-T1286 WeakPolarHBondContact O-CB 3.3Å; K1283-T1286 PolarHBondContact O-N 2.86Å; K1283-T1286 PolarHBondContact O-OG1 3.32Å; K1283-T1286 VanDerWaalsContact O-OG1 3.07Å
1284	K	62.1	Low	56.4	Low	162 Å²	162	110 Å²	110	70%	0.704	59%	0.594	S	S	*	*	H	α-helix	trans	-64.3	-34.8	174.3	-85.3	175.7	178	172.9	0	113.1	G1280 T1286 R1287	G1280-K1284 VanDerWaalsContact O-CB 3.28Å; G1280-K1284 WeakPolarHBondContact O-CB 3.48Å; G1280-K1284 VanDerWaalsContact O-CG 3.29Å; G1280-K1284 WeakPolarHBondContact O-CG 3.49Å; G1280-K1284 PolarHBondContact O-N 2.9Å; K1284-T1286 PolarHBondContact O-N 3.07Å; K1284-T1286 VanDerWaalsContact O-N 3.09Å; K1284-R1287 PolarHBondContact O-N 3.24Å
1285	R	56.5	Low	54.6	Low	179 Å²	179	113.1 Å²	113.1	68%	0.675	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-2.2	179.2	-66.8	175.7	91.8	165.6	5.8	114	L1281 L1282 K1283	L1281-R1285 WeakPolarHBondContact O-CG 3.35Å; L1281-R1285 PolarHBondContact O-N 3.11Å; L1282-R1285 PolarHBondContact O-N 2.91Å; K1283-R1285 PolarHBondContact O-N 2.81Å
1286	T	50.8	Low	52.3	Low	88 Å²	88	112.4 Å²	112.4	54%	0.54	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.9	-28	178.7	-39.7	0	0	0	0	113.3	K1283 K1284 T1288	K1283-T1286 WeakPolarHBondContact O-CB 3.3Å; K1283-T1286 PolarHBondContact O-N 2.86Å; K1283-T1286 PolarHBondContact O-OG1 3.32Å; K1283-T1286 VanDerWaalsContact O-OG1 3.07Å; K1284-T1286 PolarHBondContact O-N 3.07Å; K1284-T1286 VanDerWaalsContact O-N 3.09Å; T1286-T1288 PolarHBondContact O-N 3.12Å
1287	R	42.1	Very low	50.2	Low	209 Å²	209	114.5 Å²	114.5	79%	0.789	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-4.9	-172.5	-62.7	-174	92	160.3	6.7	115.1	K1284	K1284-R1287 PolarHBondContact O-N 3.24Å
1288	T	35.2	Very low	48.2	Very low	120 Å²	120	117.5 Å²	117.5	74%	0.736	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113	5.6	-167.2	49.1	0	0	0	0	115.9	T1286	T1286-T1288 PolarHBondContact O-N 3.12Å
1289	A	31.7	Very low	46.1	Very low	85 Å²	85	122.1 Å²	122.1	70%	0.702	65%	0.649	S	S	*	*			trans	-103.4	48.9	-167.6	0	0	0	0	0	115.8
1290	K	30.2	Very low	43.9	Very low	183 Å²	183	129.2 Å²	129.2	80%	0.796	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-83	123.9	165	-75.4	-174.9	178.3	178	0	109.9	K1292	K1290-K1292 PolarHBondContact O-N 3.48Å
1291	P	32.9	Very low	42.1	Very low	117 Å²	117	131.4 Å²	131.4	76%	0.76	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-72.1	118.5	-179.8	28.3	-33.2	0	0	0	111.1	V1293	P1291-V1293 PolarHBondContact O-N 2.9Å
1292	K	29	Very low	39.8	Very low	197 Å²	197	133.7 Å²	133.7	86%	0.857	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-69.7	121	164.5	-72.1	-174.6	177.2	-177.6	0	108.6	K1290 I1294	K1290-K1292 PolarHBondContact O-N 3.48Å; K1292-I1294 PolarHBondContact O-N 3.05Å
1293	V	32.6	Very low	37.7	Very low	131 Å²	131	137.5 Å²	137.5	79%	0.794	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-70.5	121.1	168.4	177.7	0	0	0	0	108	P1291 V1295	P1291-V1293 PolarHBondContact O-N 2.9Å; V1293-V1295 HydrophobicContact CG1-CG2 4.36Å; V1293-V1295 PolarHBondContact O-N 3.09Å
1294	I	30.5	Very low	35.7	Very low	160 Å²	160	144.1 Å²	144.1	82%	0.821	77%	0.767	S	S	*	*			trans	-83.7	114.2	176.2	-61.5	172	0	0	0	107.8	K1292	K1292-I1294 PolarHBondContact O-N 3.05Å
1295	V	32.5	Very low	34.3	Very low	127 Å²	127	139.9 Å²	139.9	77%	0.77	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-102.7	132	167.4	-178.2	0	0	0	0	107.6	V1293	V1293-V1295 HydrophobicContact CG1-CG2 4.36Å; V1293-V1295 PolarHBondContact O-N 3.09Å
1296	G	32.6	Very low	33.1	Very low	60 Å²	60	136.6 Å²	136.6	62%	0.619	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-68.9	153	-174.5	0	0	0	0	0	113.8
1297	P	31	Very low	32.3	Very low	124 Å²	124	137 Å²	137	81%	0.805	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-85.4	146.2	-174.5	33.8	-35.7	0	0	0	113.5
1298	K	30.7	Very low	32	Very low	195 Å²	195	133.5 Å²	133.5	85%	0.848	78%	0.777	S	S	*	*			trans	-167.9	140.9	148.5	-108.3	154.6	-173.6	177.9	0	112
1299	T	32.8	Very low	32.1	Very low	121 Å²	121	133.7 Å²	133.7	74%	0.742	77%	0.774	S	S	*	*			trans	45.3	100.1	161.3	52.3	0	0	0	0	117.3
1300	I	29.9	Very low	32.4	Very low	169 Å²	169	135.2 Å²	135.2	87%	0.867	77%	0.77	S	S	*	*				65.6	119.1	65.5	-55.2	172.1	0	0	0	112.8
1301	G	32.5	Very low	32.8	Very low	77 Å²	77	132.9 Å²	132.9	79%	0.794	77%	0.766	S	S	*	*			trans	173.2	115.7	173.1	0	0	0	0	0	109.4
1302	E	30.9	Very low	32.9	Very low	165 Å²	165	134.2 Å²	134.2	77%	0.771	77%	0.767	S	S	*	*			trans	-109.8	144.5	-164.6	-60.9	177.4	99.3	0	0	114.4
1303	S	32.3	Very low	33.2	Very low	117 Å²	117	132.5 Å²	132.5	82%	0.818	77%	0.768	S	S	*	*			trans	165.2	121.6	139.2	36.3	0	0	0	0	107.8
1304	R	30.4	Very low	33.2	Very low	241 Å²	241	130.4 Å²	130.4	91%	0.909	76%	0.764	S	S	*	*			cis	77.3	119.8	37.1	-88.1	-173.5	160.8	166.9	-5.8	116.1
1305	G	32.6	Very low	33.3	Very low	73 Å²	73	127.4 Å²	127.4	75%	0.753	76%	0.763	S	S	*	*			trans	129.5	130.8	164.7	0	0	0	0	0	113.5
1306	S	32.3	Very low	33.2	Very low	110 Å²	110	130.9 Å²	130.9	77%	0.769	77%	0.771	S	S	*	*			cis	-177.6	168.1	-42.1	41.5	0	0	0	0	108.5
1307	S	33.8	Very low	33	Very low	95 Å²	95	137.5 Å²	137.5	66%	0.664	79%	0.785	S	S	*	*			trans	67.3	143.7	157.4	58	0	0	0	0	120.5
1308	D	36.1	Very low	32.9	Very low	137 Å²	137	137.8 Å²	137.8	73%	0.733	79%	0.785	S	S	*	*			cis	-171.5	157.8	-19.9	-98.5	-22.9	0	0	0	109
1309	N	36.7	Very low	32.8	Very low	123 Å²	123	137.3 Å²	137.3	66%	0.658	79%	0.786	S	S	*	*			trans	63.5	150.1	147.7	-68.2	37.3	0	0	0	120.6
1310	D	37.6	Very low	32.7	Very low	118 Å²	118	137 Å²	137	63%	0.631	79%	0.786	S	S	*	*			cis	-156.3	157.8	-8.9	-95.7	-18.3	0	0	0	111.6
1311	D	38	Very low	32.6	Very low	133 Å²	133	135.3 Å²	135.3	71%	0.711	78%	0.783	S	S	*	*			trans	60.6	123.2	147.2	-56.5	-11.2	0	0	0	125.5
1312	D	36.7	Very low	32.4	Very low	146 Å²	146	142.8 Å²	142.8	78%	0.781	79%	0.787	S	S	*	*				78.7	90.5	129.6	-65.8	0.1	0	0	0	124.8
1313	D	34.4	Very low	32.2	Very low	161 Å²	161	140.2 Å²	140.2	86%	0.861	79%	0.787	S	S	*	*				106.1	156.3	107.9	-135.2	-6.7	0	0	0	121.4
1314	A	33.4	Very low	32.1	Very low	87 Å²	87	143.4 Å²	143.4	72%	0.719	79%	0.794	S	S	*	*			trans	78.2	63.9	170	0	0	0	0	0	121.5
1315	A	31.2	Very low	32.1	Very low	97 Å²	97	143.3 Å²	143.3	80%	0.802	79%	0.794	S	S	*	*				76.7	125.1	128.7	0	0	0	0	0	124.2
1316	E	31.4	Very low	31.8	Very low	200 Å²	200	146.6 Å²	146.6	94%	0.935	79%	0.79	S	S	*	*			trans	66.1	108.7	157.3	-56.5	-155.7	133.3	0	0	120.5
1317	E	27.5	Very low	31.6	Very low	198 Å²	198	153.5 Å²	153.5	93%	0.925	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-92.2	152.1	-174.2	-65.7	-177.1	100.8	0	0	115.6
1318	V	29.9	Very low	31.1	Very low	131 Å²	131	156.9 Å²	156.9	79%	0.794	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-89.2	134.6	163.8	173.5	0	0	0	0	110.5	P1320	V1318-P1320 WeakPolarHBondContact O-CD 3.37Å
1319	Q	29	Very low	30.6	Very low	185 Å²	185	161.9 Å²	161.9	86%	0.864	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-64.8	142.1	178.4	-58.3	178.7	11.3	0	0	113.9
1320	P	30.9	Very low	30.1	Very low	115 Å²	115	160.3 Å²	160.3	75%	0.747	81%	0.805	S	S	*	*			trans	-131.4	108.4	159	32.5	-15.2	0	0	0	115.3	V1318	V1318-P1320 WeakPolarHBondContact O-CD 3.37Å
1321	V	27.9	Very low	29.3	Very low	133 Å²	133	160.4 Å²	160.4	81%	0.806	81%	0.81	S	S	*	*			trans	41.6	119.8	131.3	-174.4	0	0	0	0	119.6
1322	R	27.8	Very low	28.7	Very low	234 Å²	234	162 Å²	162	88%	0.883	81%	0.811	S	S	*	*				-163.9	128.6	128.4	-110.5	158.3	-166.8	-175.1	5.1	117.5
1323	S	27	Very low	28	Very low	110 Å²	110	163.5 Å²	163.5	77%	0.769	81%	0.811	S	S	*	*			trans	50.5	113.1	149.1	60.8	0	0	0	0	121.1
1324	L	30.4	Very low	27.5	Very low	185 Å²	185	160.5 Å²	160.5	97%	0.969	80%	0.802	S	S	*	*			trans	-113.1	146.8	146.8	-96.5	166.1	0	0	0	109.8
1325	R	30.2	Very low	27.1	Very low	239 Å²	239	161.1 Å²	161.1	90%	0.902	80%	0.801	S	S	*	*			trans	-124	147	-175	-161.6	173.9	-175	175.7	1.8	110.1
1326	E	25.8	Very low	26.8	Very low	141 Å²	141	161.7 Å²	161.7	66%	0.659	79%	0.791	S	S	*	*			trans	-46.8	144.5	-169.2	-60.9	169.1	86.1	0	0	115.8	K1328	E1326-K1328 WeakPolarHBondContact OE1-CE 3.25Å; E1326-K1328 IonicContact OE1-NZ 2.73Å; E1326-K1328 PolarHBondContact OE1-NZ 3.27Å
1327	R	26.8	Very low	26.5	Very low	255 Å²	255	158.4 Å²	158.4	96%	0.962	78%	0.78	S	S	*	*			trans	-146.7	140.8	131.6	-110.1	163.3	-166.5	-157.7	0.3	111.2
1328	K	24.3	Very low	26.3	Very low	166 Å²	166	153.1 Å²	153.1	72%	0.722	76%	0.758	S	S	*	*			trans	-93.3	147	-168.4	-64.7	161	-176.6	159.5	0	110.6	E1326	E1326-K1328 WeakPolarHBondContact OE1-CE 3.25Å; E1326-K1328 IonicContact OE1-NZ 2.73Å; E1326-K1328 PolarHBondContact OE1-NZ 3.27Å
1329	R	25.1	Very low	26.1	Very low	243 Å²	243	152.3 Å²	152.3	92%	0.917	75%	0.745	S	S	*	*			trans	-106.6	132.9	152	-97.3	-177.2	169.4	170.3	-2.9	108.3
1330	V	25.9	Very low	25.9	Very low	90 Å²	90	145.7 Å²	145.7	55%	0.545	72%	0.719	S	S	.	*			trans	-90.2	154	176.6	176.2	0	0	0	0	108.6	D955	D955-V1330 HydrophobicContact CB-CG1 4.46Å; D955-V1330 WeakPolarHBondContact OD2-CG1 3.37Å
1331	T	21.8	Very low	25.7	Very low	119 Å²	119	145.2 Å²	145.2	73%	0.73	71%	0.711	S	S	*	*			trans	-117.9	142.1	178.2	45.5	0	0	0	0	109.2
1332	F	24.3	Very low	25.6	Very low	167 Å²	167	145.6 Å²	145.6	73%	0.732	71%	0.713	S	S	*	*			trans	-132	161.5	166.4	-128.6	-99.5	0	0	0	112.1	D955	D955-F1332 WeakPolarHBondContact OD2-CD2 3.36Å
1333	F	23.7	Very low	25.4	Very low	178 Å²	178	140 Å²	140	78%	0.781	70%	0.7	S	S	*	*			trans	-91.8	138.8	-170.2	-88.2	-113.4	0	0	0	109.8
1334	S	23.5	Very low	25.3	Very low	98 Å²	98	139.2 Å²	139.2	69%	0.685	70%	0.695	S	S	*	*				83.3	159.9	74.1	-163.7	0	0	0	0	112.8
1335	S	24.3	Very low	25	Very low	100 Å²	100	137.9 Å²	137.9	70%	0.699	69%	0.688	S	S	*	*			trans	69.3	137.1	-168.5	52.3	0	0	0	0	114.8
1336	D	25.1	Very low	24.7	Very low	108 Å²	108	136.2 Å²	136.2	58%	0.578	69%	0.687	S	S	*	*			cis	-150.9	167.1	-21.5	-93	-38.9	0	0	0	107.7	K363	K363-D1336 IonicContact NZ-OD1 2.65Å; K363-D1336 PolarHBondContact NZ-OD1 3.22Å
1337	D	24.8	Very low	24.6	Very low	131 Å²	131	134 Å²	134	70%	0.701	69%	0.687	S	S	*	*			trans	13.7	137.3	159.7	-45.4	-33.6	0	0	0	122.8
1338	N	25	Very low	24.5	Very low	88 Å²	88	130.1 Å²	130.1	47%	0.471	68%	0.678	S	S	.	*			trans	96.4	136.4	155	-55.8	-10.3	0	0	0	123.5	D1568	N1338-D1568 WeakPolarHBondContact CA-OD2 3.27Å; N1338-D1568 WeakPolarHBondContact CB-OD2 3.47Å; N1338-D1568 PolarHBondContact OD1-OD2 2.82Å
1339	E	24.8	Very low	24.6	Very low	113 Å²	113	129.5 Å²	129.5	53%	0.528	68%	0.682	S	S	.	*			trans	36.7	123.7	160	-140.2	153.8	-125.8	0	0	124.9	D1568	E1339-D1568 WeakPolarHBondContact CA-OD2 3.11Å; E1339-D1568 HydrophobicContact CB-CB 4.14Å; E1339-D1568 HydrophobicContact CG-CB 3.9Å; E1339-D1568 PolarHBondContact N-OD2 2.94Å; E1339-D1568 WeakPolarHBondContact OE1-CA 3.35Å; E1339-D1568 VanDerWaalsContact OE1-CB 3.27Å; E1339-D1568 WeakPolarHBondContact OE1-CB 3.49Å
1340	S	25	Very low	24.7	Very low	46 Å²	46	122.8 Å²	122.8	32%	0.322	66%	0.66	S	S	.	*			trans	60.8	81	148.3	70.6	0	0	0	0	119.8	K805	K805-S1340 PolarHBondContact NZ-O 3.35Å
1341	D	26	Very low	24.8	Very low	106 Å²	106	125.9 Å²	125.9	57%	0.567	67%	0.673	S	S	*	*			trans	-146.1	99.2	151.1	-98.6	-13.1	0	0	0	110.3	K805	K805-D1341 IonicContact NZ-OD1 3.5Å; K805-D1341 PolarHBondContact NZ-OD1 3.08Å
1342	V	25.7	Very low	25.1	Very low	141 Å²	141	124 Å²	124	86%	0.855	68%	0.678	S	S	*	*			trans	-109.1	36.4	168.6	-71.4	0	0	0	0	111.4
1343	D	24.3	Very low	25.2	Very low	115 Å²	115	123 Å²	123	62%	0.615	68%	0.68	S	S	*	*			trans	-121	148.7	175.3	-145	-26.6	0	0	0	111.3
1344	S	24.5	Very low	25.4	Very low	95 Å²	95	120.6 Å²	120.6	66%	0.664	68%	0.675	S	S	*	*			trans	62.3	73.7	-177.3	74.2	0	0	0	0	118.6
1345	I	24.5	Very low	25.5	Very low	157 Å²	157	119.8 Å²	119.8	81%	0.805	67%	0.67	S	S	*	*			trans	-154.1	76.5	139.1	-99.1	145.7	0	0	0	110.1
1346	F	24	Very low	25.6	Very low	203 Å²	203	121.4 Å²	121.4	89%	0.89	67%	0.671	S	S	*	*			trans	-145.2	48.2	161.7	-85.5	-62.2	0	0	0	111.7	F1348	F1346-F1348 PolarHBondContact O-N 3.31Å
1347	S	23.5	Very low	25.7	Very low	95 Å²	95	124.3 Å²	124.3	66%	0.664	68%	0.681	S	S	*	*			trans	-64.6	113.6	159.9	50.2	0	0	0	0	109.1	D1349	S1347-D1349 PolarHBondContact O-N 3.33Å
1348	F	24.6	Very low	25.7	Very low	174 Å²	174	122.8 Å²	122.8	76%	0.763	68%	0.681	S	S	*	*			trans	-64.3	82.8	170.6	-99.6	-97	0	0	0	110.4	F1346	F1346-F1348 PolarHBondContact O-N 3.31Å
1349	D	27.2	Very low	25.8	Very low	153 Å²	153	127.9 Å²	127.9	82%	0.818	69%	0.694	S	S	*	*			trans	-70.7	133.1	164	-93.2	-31.7	0	0	0	109.5	S1347	S1347-D1349 PolarHBondContact O-N 3.33Å
1350	K	26.6	Very low	25.8	Very low	101 Å²	101	128 Å²	128	44%	0.439	70%	0.703	S	S	.	*			trans	-101.9	162.7	-176.5	-113.3	-172.4	174.1	-170.9	0	110.7	K1256 V1257	K1256-K1350 PolarHBondContact O-NZ 2.98Å; V1257-K1350 HydrophobicContact CG2-CD 4.39Å
1351	D	28.7	Very low	25.9	Very low	155 Å²	155	133.7 Å²	133.7	83%	0.829	73%	0.729	S	S	*	*			trans	73.1	104.7	162.7	-51.5	-26.4	0	0	0	116.1
1352	G	28.1	Very low	25.9	Very low	81 Å²	81	136.3 Å²	136.3	84%	0.835	74%	0.738	S	S	*	*			trans	-168.3	30.5	178.4	0	0	0	0	0	113.9
1353	N	25.3	Very low	26	Very low	146 Å²	146	133.6 Å²	133.6	78%	0.781	74%	0.739	S	S	*	*			trans	-98.2	101.3	-175.6	-169.6	8.9	0	0	0	112.1
1354	N	27.1	Very low	26	Very low	126 Å²	126	137 Å²	137	67%	0.674	75%	0.748	S	S	*	*			trans	179.1	139.5	164.4	-109.3	28.4	0	0	0	105.5
1355	S	26.5	Very low	26.2	Very low	82 Å²	82	137.2 Å²	137.2	57%	0.573	76%	0.755	S	S	*	*			cis	-166.4	146.5	-9.5	38.9	0	0	0	0	108.2
1356	D	26	Very low	26.4	Very low	134 Å²	134	138.5 Å²	138.5	72%	0.717	76%	0.758	S	S	*	*			trans	38.6	101.6	149.1	-45.8	-36	0	0	0	119.1
1357	E	27.2	Very low	26.4	Very low	168 Å²	168	135 Å²	135	79%	0.785	75%	0.753	S	S	*	*				-167	131.7	120.7	-111.9	-179.6	-154.8	0	0	111.8	Y1359	E1357-Y1359 WeakPolarHBondContact OE2-CE2 3.32Å
1358	S	24.4	Very low	26.7	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	76%	0.76	S	S	*	*			trans	-126	98.5	-177	58.5	0	0	0	0	111.6	T1360	S1358-T1360 VanDerWaalsContact C-N 3.33Å; S1358-T1360 PolarHBondContact O-N 2.9Å; S1358-T1360 VanDerWaalsContact O-N 3.1Å
1359	Y	26.8	Very low	26.7	Very low	194 Å²	194	136.8 Å²	136.8	76%	0.761	76%	0.759	S	S	*	*			trans	-84.8	72.8	173.4	-85.2	-83.4	0	0	0	112.3	E1357 L1361	E1357-Y1359 WeakPolarHBondContact OE2-CE2 3.32Å; Y1359-L1361 PolarHBondContact O-N 3.29Å
1360	T	25	Very low	26.7	Very low	116 Å²	116	138.6 Å²	138.6	71%	0.712	76%	0.759	S	S	*	*			trans	-84.5	98.1	162.5	45.9	0	0	0	0	110	S1358 E1362	S1358-T1360 VanDerWaalsContact C-N 3.33Å; S1358-T1360 PolarHBondContact O-N 2.9Å; S1358-T1360 VanDerWaalsContact O-N 3.1Å; T1360-E1362 PolarHBondContact O-N 3.19Å
1361	L	28.1	Very low	26.7	Very low	165 Å²	165	139.9 Å²	139.9	86%	0.864	78%	0.776	S	S	*	*			trans	-85.1	76.7	169	-87	168.7	0	0	0	110.9	Y1359 G1363	Y1359-L1361 PolarHBondContact O-N 3.29Å; L1361-G1363 PolarHBondContact O-N 2.8Å; L1361-G1363 VanDerWaalsContact O-N 3.07Å
1362	E	25.1	Very low	26.6	Very low	162 Å²	162	136.1 Å²	136.1	76%	0.757	76%	0.762	S	S	*	*			trans	-72	93.2	165.9	-76.2	-151.9	118.7	0	0	110.6	T1360 K1364	T1360-E1362 PolarHBondContact O-N 3.19Å; E1362-K1364 PolarHBondContact O-N 3.36Å
1363	G	27.5	Very low	26.7	Very low	84 Å²	84	139.3 Å²	139.3	87%	0.866	76%	0.755	S	S	*	*			trans	-74.5	60.1	177.4	0	0	0	0	0	114.7	L1361	L1361-G1363 PolarHBondContact O-N 2.8Å; L1361-G1363 VanDerWaalsContact O-N 3.07Å
1364	K	24.7	Very low	26.9	Very low	187 Å²	187	140.9 Å²	140.9	81%	0.813	76%	0.755	S	S	*	*			trans	-101.7	102.1	167.6	-82.5	179	180	163.4	0	110.8	E1362	E1362-K1364 PolarHBondContact O-N 3.36Å
1365	A	29.6	Very low	27.1	Very low	99 Å²	99	138.2 Å²	138.2	82%	0.818	76%	0.757	S	S	*	*			trans	-132	142.6	166.6	0	0	0	0	0	109.5
1366	E	29.2	Very low	27.1	Very low	183 Å²	183	140.3 Å²	140.3	86%	0.855	77%	0.771	S	S	*	*			trans	-83.1	147	-159.9	-61.3	-171.1	124.9	0	0	115
1367	T	23.8	Very low	27.4	Very low	130 Å²	130	137.7 Å²	137.7	80%	0.798	77%	0.768	S	S	*	*			trans	-81.2	118.5	172.8	-58.9	0	0	0	0	111
1368	K	28.5	Very low	27.4	Very low	186 Å²	186	136 Å²	136	81%	0.809	77%	0.765	S	S	*	*			trans	-148.9	73.7	165.6	-115.7	161.2	-167.2	163.5	0	115.2
1369	V	25.3	Very low	27.8	Very low	120 Å²	120	138.4 Å²	138.4	73%	0.727	77%	0.765	S	S	*	*			trans	35.9	114.7	134.7	-171.3	0	0	0	0	118.4
1370	K	27.7	Very low	27.9	Very low	192 Å²	192	135.9 Å²	135.9	84%	0.835	76%	0.76	S	S	*	*				-165.5	125	115.2	-102.8	168.2	-171	179.4	0	112.8
1371	T	25.6	Very low	28.1	Very low	127 Å²	127	138.3 Å²	138.3	78%	0.779	76%	0.761	S	S	*	*			trans	22.9	137.4	140.1	3	0	0	0	0	119
1372	S	28.1	Very low	28.1	Very low	77 Å²	77	136.9 Å²	136.9	54%	0.538	76%	0.759	S	S	.	*			cis	-178.5	131	48.3	162.8	0	0	0	0	116
1373	Q	29.7	Very low	28.4	Very low	147 Å²	147	134 Å²	134	69%	0.687	76%	0.762	S	S	*	*			trans	67	151.7	148.9	-64.9	175	74.2	0	0	118.4
1374	K	29	Very low	28.4	Very low	180 Å²	180	135.8 Å²	135.8	78%	0.783	76%	0.762	S	S	*	*			cis	-163.6	157.7	-2.4	-121	166.9	-178.4	159.9	0	111
1375	G	30.3	Very low	28.6	Very low	69 Å²	69	130.9 Å²	130.9	71%	0.711	76%	0.757	S	S	*	*			trans	85.8	126.3	168	0	0	0	0	0	114.8
1376	S	28.4	Very low	28.8	Very low	126 Å²	126	134.2 Å²	134.2	88%	0.881	76%	0.761	S	S	*	*			cis	69	135.2	12.1	-77	0	0	0	0	117.4
1377	A	30.8	Very low	28.9	Very low	79 Å²	79	128.5 Å²	128.5	65%	0.653	75%	0.751	S	S	*	*			cis	-169.5	168.8	-8.2	0	0	0	0	0	114
1378	N	29	Very low	29.2	Very low	133 Å²	133	129.5 Å²	129.5	71%	0.711	75%	0.75	S	S	*	*			trans	74.6	133.9	139.2	-90.9	-32.3	0	0	0	124
1379	Q	31	Very low	29.3	Very low	150 Å²	150	129 Å²	129	70%	0.701	75%	0.748	S	S	*	*			trans	72.7	155.7	132.5	-71.6	173.6	34.5	0	0	120.8
1380	Q	29.4	Very low	29.6	Very low	142 Å²	142	128.3 Å²	128.3	66%	0.664	75%	0.749	S	S	*	*			cis	-172.1	173.6	-30.1	-148.5	178.8	38.6	0	0	109
1381	K	29.4	Very low	29.9	Very low	167 Å²	167	125.2 Å²	125.2	73%	0.726	75%	0.748	S	S	*	*			trans	71.6	118.8	161.6	-66.6	166.4	-177.5	168.6	0	116.3
1382	T	27.6	Very low	30.1	Very low	134 Å²	134	126.1 Å²	126.1	82%	0.822	74%	0.744	S	S	*	*				77.5	114.1	55.7	66.1	0	0	0	0	116.1
1383	A	32	Very low	30.4	Very low	101 Å²	101	128.6 Å²	128.6	84%	0.835	76%	0.758	S	S	*	*			trans	-165.6	175.6	149.7	0	0	0	0	0	110.3
1384	S	28.5	Very low	30.3	Very low	122 Å²	122	129.6 Å²	129.6	85%	0.853	76%	0.76	S	S	*	*			trans	-153.6	172.3	-171.5	-59.8	0	0	0	0	113.8
1385	A	28.9	Very low	30.6	Very low	85 Å²	85	125.8 Å²	125.8	70%	0.702	75%	0.753	S	S	*	*			trans	85.3	151.7	157.4	0	0	0	0	0	120.4
1386	D	33.3	Very low	30.6	Very low	169 Å²	169	131.6 Å²	131.6	90%	0.904	76%	0.759	S	S	*	*			trans	59.1	147.5	162.1	-52.9	-27.6	0	0	0	120.7
1387	G	31.4	Very low	30.7	Very low	63 Å²	63	136.9 Å²	136.9	65%	0.649	76%	0.76	S	S	*	*			cis	171.3	140.3	-11.1	0	0	0	0	0	115.4
1388	L	29.5	Very low	30.8	Very low	150 Å²	150	138.4 Å²	138.4	79%	0.785	77%	0.766	S	S	*	*			trans	70.5	140.4	155.7	-93.6	62.9	0	0	0	123.2
1389	K	31.2	Very low	30.9	Very low	176 Å²	176	143.4 Å²	143.4	77%	0.765	78%	0.775	S	S	*	*			trans	79.9	97.5	145.6	-71.5	168	177.9	171	0	122.5
1390	S	30.3	Very low	31	Very low	106 Å²	106	143.5 Å²	143.5	74%	0.741	78%	0.778	S	S	*	*				43.6	149.3	111.3	65	0	0	0	0	122
1391	P	34.9	Very low	31.1	Very low	127 Å²	127	143.6 Å²	143.6	83%	0.825	78%	0.783	S	S	*	*			cis	-140.3	-174.2	29.8	41.7	-22.2	0	0	0	117.2
1392	Q	28.8	Very low	31.3	Very low	146 Å²	146	141.9 Å²	141.9	68%	0.682	78%	0.781	S	S	*	*			trans	-87.4	171.7	176.1	-64	-167.1	-28.5	0	0	113.6	K1394	Q1392-K1394 VanDerWaalsContact OE1-CE 3.23Å
1393	P	35.1	Very low	31.7	Very low	129 Å²	129	139.6 Å²	139.6	84%	0.838	77%	0.771	S	S	*	*				-129	139.4	118.8	36.6	-30.7	0	0	0	115.3
1394	K	27.9	Very low	31.8	Very low	168 Å²	168	141.5 Å²	141.5	73%	0.73	77%	0.767	S	S	*	*			trans	-90.1	-174.2	155.2	-59.8	177.3	175.1	173	0	107.6	Q1392	Q1392-K1394 VanDerWaalsContact OE1-CE 3.23Å
1395	P	34.7	Very low	32.1	Very low	99 Å²	99	142.7 Å²	142.7	64%	0.643	76%	0.764	S	S	*	*			cis	-148.8	-173.4	6.9	44.2	-23.7	0	0	0	118
1396	K	31.6	Very low	32.3	Very low	192 Å²	192	146.5 Å²	146.5	84%	0.835	77%	0.772	S	S	*	*			trans	81.6	157.5	155.8	-62.2	159.8	-172.4	173.8	0	119.9
1397	R	29.2	Very low	32.2	Very low	236 Å²	236	145.6 Å²	145.6	89%	0.891	77%	0.768	S	S	*	*			cis	-178.4	99	-33.8	-170.4	-175.6	-158.1	-175.4	7.4	112.8
1398	S	32.9	Very low	32.2	Very low	111 Å²	111	151.2 Å²	151.2	78%	0.776	77%	0.774	S	S	*	*			trans	-170.9	112.6	160.5	46.1	0	0	0	0	110.5
1399	R	30.6	Very low	32.2	Very low	238 Å²	238	150.4 Å²	150.4	90%	0.898	78%	0.775	S	S	*	*				72.6	104.7	76	-91.3	-169.8	170	175.3	-3.5	114.7
1400	I	33.3	Very low	32.3	Very low	152 Å²	152	147.6 Å²	147.6	78%	0.779	77%	0.773	S	S	*	*				162.2	123	125.4	-86	159	0	0	0	110
1401	L	32.8	Very low	32.4	Very low	144 Å²	144	149.4 Å²	149.4	75%	0.754	77%	0.774	S	S	*	*			trans	39.2	141.2	149.8	-52.2	175.9	0	0	0	120.5
1402	D	33.1	Very low	32.2	Very low	131 Å²	131	147.8 Å²	147.8	70%	0.701	77%	0.766	S	S	*	*			cis	-153.8	151.5	8.6	-116.1	-25.4	0	0	0	113
1403	S	35.4	Very low	32.3	Very low	86 Å²	86	146.1 Å²	146.1	60%	0.601	77%	0.771	S	S	*	*			trans	19.2	152.5	155.2	64.9	0	0	0	0	123.6
1404	D	34.1	Very low	32.3	Very low	141 Å²	141	144.7 Å²	144.7	75%	0.754	76%	0.756	S	S	*	*			cis	-170.5	136.1	-23.4	-81.6	-39.6	0	0	0	102.8
1405	D	34.4	Very low	32.5	Very low	148 Å²	148	140.5 Å²	140.5	79%	0.791	75%	0.748	S	S	*	*				59.8	126.5	63.4	-79.3	-16.6	0	0	0	115.8
1406	D	33.8	Very low	32.5	Very low	164 Å²	164	138.8 Å²	138.8	88%	0.877	74%	0.738	S	S	*	*			trans	-173.1	115.9	130.8	-108.5	-16.8	0	0	0	111.5
1407	D	31.6	Very low	32.5	Very low	150 Å²	150	132.3 Å²	132.3	80%	0.802	73%	0.726	S	S	*	*			trans	-72.1	159.9	154.9	-85.8	-50.7	0	0	0	109.3
1408	F	31.7	Very low	32.8	Very low	181 Å²	181	126.2 Å²	126.2	79%	0.794	72%	0.72	S	S	*	*			trans	-155.7	149.6	131.6	-134.7	-126.4	0	0	0	115.5	V1410	F1408-V1410 HydrophobicContact CD1-CB 3.98Å; F1408-V1410 HydrophobicContact CD1-CG2 3.94Å; F1408-V1410 HydrophobicContact CE1-CB 3.62Å; F1408-V1410 HydrophobicContact CE1-CG1 4.25Å; F1408-V1410 HydrophobicContact CE1-CG2 3.39Å; F1408-V1410 HydrophobicContact CZ-CB 4.48Å; F1408-V1410 HydrophobicContact CZ-CG2 3.79Å
1409	V	28.1	Very low	32.8	Very low	133 Å²	133	127 Å²	127	81%	0.806	72%	0.719	S	S	*	*			trans	-101.6	-146.8	168.5	177.8	0	0	0	0	106.4
1410	V	33.8	Very low	32.8	Very low	118 Å²	118	123.4 Å²	123.4	72%	0.715	71%	0.713	S	S	*	*			trans	90	155.5	159.4	-167.8	0	0	0	0	115.8	F1408	F1408-V1410 HydrophobicContact CD1-CB 3.98Å; F1408-V1410 HydrophobicContact CD1-CG2 3.94Å; F1408-V1410 HydrophobicContact CE1-CB 3.62Å; F1408-V1410 HydrophobicContact CE1-CG1 4.25Å; F1408-V1410 HydrophobicContact CE1-CG2 3.39Å; F1408-V1410 HydrophobicContact CZ-CB 4.48Å; F1408-V1410 HydrophobicContact CZ-CG2 3.79Å
1411	D	31.7	Very low	32.8	Very low	144 Å²	144	124.1 Å²	124.1	77%	0.77	71%	0.713	S	S	*	*			trans	-104	175.3	-148.1	-154	-29.2	0	0	0	113.3
1412	S	31.5	Very low	32.9	Very low	92 Å²	92	124.6 Å²	124.6	64%	0.643	72%	0.715	S	S	*	*			trans	-45.3	146.5	179.3	52.3	0	0	0	0	119
1413	S	32.1	Very low	32.9	Very low	112 Å²	112	124 Å²	124	78%	0.783	72%	0.717	S	S	*	*				156.2	155.7	115.8	57.7	0	0	0	0	116.3
1414	D	34.1	Very low	32.8	Very low	98 Å²	98	129.4 Å²	129.4	52%	0.524	73%	0.729	S	S	.	*			trans	58.6	70.1	145.5	-98	41.7	0	0	0	123.1	K1538	D1414-K1538 WeakPolarHBondContact O-CE 3.38Å; D1414-K1538 PolarHBondContact O-NZ 2.89Å
1415	S	32.7	Very low	32.8	Very low	81 Å²	81	133.5 Å²	133.5	57%	0.566	73%	0.734	S	S	*	*				35.2	-166.3	127.7	45.7	0	0	0	0	122.7	D1537 K1538	S1415-D1537 WeakPolarHBondContact CB-OD1 3.49Å; S1415-K1538 WeakPolarHBondContact O-CE 3.29Å; S1415-K1538 PolarHBondContact O-NZ 3.07Å; S1415-K1538 WeakPolarHBondContact OG-CE 3.28Å
1416	S	34.5	Very low	32.7	Very low	62 Å²	62	134.5 Å²	134.5	43%	0.434	73%	0.731	S	S	.	*			trans	67.2	112.6	-179.3	68.1	0	0	0	0	122.1	D1537 K1538	S1416-D1537 VanDerWaalsContact CA-CB 3.47Å; S1416-D1537 WeakPolarHBondContact CA-OD2 3.37Å; S1416-D1537 PolarHBondContact N-OD1 3.01Å; S1416-D1537 PolarHBondContact N-OD2 2.97Å; S1416-K1538 WeakPolarHBondContact OG-CE 3.38Å; S1416-K1538 PolarHBondContact OG-NZ 2.89Å
1417	G	31.9	Very low	32.7	Very low	56 Å²	56	135.4 Å²	135.4	58%	0.577	73%	0.728	S	S	*	*			trans	-92.6	161.6	157.5	0	0	0	0	0	116.2	D1537	G1417-D1537 PolarHBondContact N-OD2 2.87Å; G1417-D1537 VanDerWaalsContact N-OD2 3.16Å
1418	S	33.9	Very low	32.7	Very low	109 Å²	109	136.7 Å²	136.7	76%	0.762	73%	0.726	S	S	*	*			trans	-167.2	131	167.6	49.7	0	0	0	0	106.2
1419	V	33	Very low	33	Very low	128 Å²	128	132.7 Å²	132.7	78%	0.776	72%	0.721	S	S	*	*				52.7	120.5	88.3	177.8	0	0	0	0	111.6
1420	E	30.5	Very low	33.5	Very low	162 Å²	162	132.5 Å²	132.5	76%	0.757	72%	0.722	S	S	*	*			cis	-167	-164.6	-2	-125.9	-171.5	157.9	0	0	111.4
1421	Q	33.9	Very low	33.6	Very low	167 Å²	167	130.8 Å²	130.8	78%	0.78	72%	0.72	S	S	*	*			trans	84.3	117.2	165.8	-49.9	-169.5	9.7	0	0	116.4
1422	L	35	Very low	33.8	Very low	154 Å²	154	129.4 Å²	129.4	81%	0.806	72%	0.717	S	S	*	*				81.9	136.4	56.3	-70	165.9	0	0	0	112.5
1423	T	33.3	Very low	34	Very low	119 Å²	119	133.2 Å²	133.2	73%	0.73	72%	0.722	S	S	*	*			cis	-146	148.6	24.6	57.8	0	0	0	0	114.8
1424	K	32.7	Very low	34.1	Very low	198 Å²	198	136.1 Å²	136.1	86%	0.861	72%	0.723	S	S	*	*				-172.9	106	128.5	-105.2	164.5	-174.1	171.6	0	113.3
1425	R	34.4	Very low	34.1	Very low	227 Å²	227	135.3 Å²	135.3	86%	0.857	73%	0.73	S	S	*	*			trans	27	132.7	137.6	-74.7	171.5	167.9	-177.4	-4.9	118.3
1426	K	32.7	Very low	34.2	Very low	170 Å²	170	138.5 Å²	138.5	74%	0.739	74%	0.736	S	S	*	*			cis	-171.1	144.7	39.3	-122.7	164.3	-176.8	176.4	0	112.8
1427	K	33.2	Very low	34.1	Very low	183 Å²	183	143.3 Å²	143.3	80%	0.796	75%	0.749	S	S	*	*			trans	67.2	145.3	156.1	-65.8	178.3	177.3	-177.4	0	117.4
1428	K	32.8	Very low	34.2	Very low	176 Å²	176	148.5 Å²	148.5	77%	0.765	76%	0.756	S	S	*	*			cis	-156.4	122.3	-5	-106.3	-178.8	170.5	-168.9	0	105.7
1429	S	36.7	Very low	34.1	Very low	98 Å²	98	149.2 Å²	149.2	69%	0.685	75%	0.751	S	S	*	*				67	141.2	78.8	74.1	0	0	0	0	116
1430	P	39	Very low	34.2	Very low	129 Å²	129	147.1 Å²	147.1	84%	0.838	75%	0.747	S	S	*	*			cis	-113.7	-142.9	2.7	28.3	-3.7	0	0	0	111.1
1431	A	36.5	Very low	34.2	Very low	81 Å²	81	145.3 Å²	145.3	67%	0.669	75%	0.748	S	S	*	*			cis	-159.1	164.9	4.5	0	0	0	0	0	115.5
1432	T	36.1	Very low	34.2	Very low	116 Å²	116	147 Å²	147	71%	0.712	75%	0.752	S	S	*	*			trans	1.2	153.2	152.6	57.7	0	0	0	0	123.9
1433	K	34.1	Very low	33.9	Very low	172 Å²	172	143.9 Å²	143.9	75%	0.748	75%	0.749	S	S	*	*			cis	-168.7	140.3	-13.6	-103.3	173	179.2	-178.6	0	106.2
1434	E	34.5	Very low	34	Very low	172 Å²	172	143.9 Å²	143.9	80%	0.804	75%	0.75	S	S	*	*			cis	93.3	146.2	45.8	-161	178.3	-138.2	0	0	113.9
1435	A	34.5	Very low	33.7	Very low	81 Å²	81	138.6 Å²	138.6	67%	0.669	74%	0.744	S	S	*	*			trans	84.9	149.3	176.9	0	0	0	0	0	118.1
1436	Q	35.2	Very low	33.3	Very low	149 Å²	149	134.5 Å²	134.5	70%	0.696	74%	0.735	S	S	*	*			cis	-162.9	147.7	-14.8	-115.7	177.9	86.1	0	0	113.3
1437	K	32.5	Very low	33.1	Very low	163 Å²	163	133.4 Å²	133.4	71%	0.709	73%	0.73	S	S	*	*			trans	51.4	134.3	140.8	-76.2	176.9	-172.6	152.3	0	124.8
1438	K	33.8	Very low	32.9	Very low	164 Å²	164	132.9 Å²	132.9	71%	0.713	73%	0.73	S	S	*	*				90.4	123.8	128.4	-81.4	-179.8	154.6	-88.4	0	123
1439	D	32.5	Very low	32.8	Very low	125 Å²	125	129.2 Å²	129.2	67%	0.668	72%	0.724	S	S	*	*				59.6	128	126	-53	-20.9	0	0	0	123.7
1440	A	33.5	Very low	32.6	Very low	83 Å²	83	131.2 Å²	131.2	69%	0.686	73%	0.732	S	S	*	*			trans	91.9	125.5	131.4	0	0	0	0	0	123
1441	T	31.4	Very low	32.1	Very low	125 Å²	125	133.4 Å²	133.4	77%	0.767	73%	0.731	S	S	*	*			trans	78.3	138.6	136.7	49.6	0	0	0	0	123.6
1442	K	33.2	Very low	31.9	Very low	203 Å²	203	134.7 Å²	134.7	88%	0.883	73%	0.733	S	S	*	*			trans	77.2	145.4	148.8	-74.7	169.9	-179.8	-178.6	0	119.7
1443	A	29.2	Very low	31.7	Very low	88 Å²	88	137.7 Å²	137.7	73%	0.727	74%	0.736	S	S	*	*			trans	-107	-166.9	161.4	0	0	0	0	0	107.6
1444	P	35.5	Very low	31.6	Very low	118 Å²	118	139 Å²	139	77%	0.766	74%	0.742	S	S	*	*			cis	-122.9	-167.2	-20.1	40.8	-26.1	0	0	0	111.4
1445	A	26.7	Very low	31.3	Very low	88 Å²	88	139.3 Å²	139.3	73%	0.727	74%	0.741	S	S	*	*			trans	66.3	175.1	162.6	0	0	0	0	0	114.5
1446	E	26.7	Very low	31.2	Very low	141 Å²	141	144.3 Å²	144.3	66%	0.659	75%	0.748	S	S	*	*			cis	-163.8	166.3	-6.5	-141.3	178.1	170.5	0	0	109.3
1447	K	27.7	Very low	31.1	Very low	146 Å²	146	142.9 Å²	142.9	64%	0.635	75%	0.745	S	S	*	*			trans	64.8	126.4	157.3	-73.3	147.5	-172.3	157.8	0	118
1448	E	29.1	Very low	31.1	Very low	173 Å²	173	141.8 Å²	141.8	81%	0.808	75%	0.746	S	S	*	*				74	164.8	63	-75.4	-173	175.9	0	0	114.4
1449	P	31.2	Very low	30.9	Very low	99 Å²	99	140.9 Å²	140.9	64%	0.643	75%	0.749	S	S	*	*			cis	-129.9	-177.5	-10.8	24.7	-1.5	0	0	0	113.7
1450	T	32.2	Very low	30.7	Very low	139 Å²	139	139.4 Å²	139.4	85%	0.853	75%	0.745	S	S	*	*				162.8	131	116.3	39.6	0	0	0	0	114
1451	E	28.5	Very low	30.6	Very low	175 Å²	175	142.3 Å²	142.3	82%	0.818	75%	0.747	S	S	*	*			trans	-91.6	-180	173.3	-51	-179.3	113.7	0	0	112.6
1452	P	31.8	Very low	30.5	Very low	109 Å²	109	144 Å²	144	71%	0.708	75%	0.751	S	S	*	*				-149.7	130.1	92.4	33.8	-13.9	0	0	0	119.1
1453	K	31.6	Very low	30.3	Very low	178 Å²	178	138.3 Å²	138.3	77%	0.774	74%	0.736	S	S	*	*				69.7	101.3	129.9	-57.6	168.4	-170.5	172.7	0	121.7
1454	K	31.9	Very low	30.2	Very low	200 Å²	200	141 Å²	141	87%	0.87	74%	0.738	S	S	*	*				161.9	108.7	117.2	-89.2	176.5	179.5	-174.9	0	109
1455	K	29.6	Very low	29.9	Very low	179 Å²	179	139.6 Å²	139.6	78%	0.778	73%	0.732	S	S	*	*				66	98.6	68	-78	-148.9	168	-154.7	0	116
1456	F	31.5	Very low	30	Very low	186 Å²	186	142.4 Å²	142.4	82%	0.816	73%	0.734	S	S	*	*				177.5	129.5	114.1	-102.8	-89.9	0	0	0	105.4
1457	D	32.3	Very low	30.1	Very low	119 Å²	119	141.7 Å²	141.7	64%	0.636	73%	0.734	S	S	*	*				62.4	127	55.6	-68.8	-33.7	0	0	0	112.1
1458	L	32.4	Very low	30.3	Very low	140 Å²	140	141.7 Å²	141.7	73%	0.733	74%	0.741	S	S	*	*			cis	-132.9	151.6	-2.7	-112.2	66.3	0	0	0	106.7
1459	N	30.9	Very low	30.4	Very low	144 Å²	144	141.1 Å²	141.1	77%	0.77	74%	0.744	S	S	*	*				69.4	139.2	64.2	-143.9	14.1	0	0	0	115.6
1460	T	28.8	Very low	30.6	Very low	95 Å²	95	144.6 Å²	144.6	58%	0.583	76%	0.757	S	S	*	*			trans	90.9	96.9	145.7	-52.1	0	0	0	0	122.2
1461	I	29.7	Very low	30.6	Very low	144 Å²	144	143.9 Å²	143.9	74%	0.738	75%	0.748	S	S	*	*				84.2	143.1	127.2	-71.4	-177.6	0	0	0	122.6
1462	L	31.1	Very low	30.8	Very low	161 Å²	161	142.3 Å²	142.3	84%	0.843	75%	0.75	S	S	*	*			trans	63.5	155.5	170.8	-70.8	160	0	0	0	116
1463	S	27.1	Very low	30.7	Very low	83 Å²	83	141.5 Å²	141.5	58%	0.58	74%	0.743	S	S	*	*			cis	-164.8	-177.8	-19.8	49.2	0	0	0	0	109.1
1464	D	27.6	Very low	30.7	Very low	143 Å²	143	140 Å²	140	77%	0.765	74%	0.742	S	S	*	*			trans	8.5	136.1	136.9	-44.6	-22.7	0	0	0	116.3
1465	S	28.6	Very low	30.8	Very low	90 Å²	90	137.5 Å²	137.5	63%	0.629	74%	0.737	S	S	*	*			cis	168	170.7	12.4	44.6	0	0	0	0	107.5
1466	L	29	Very low	31	Very low	147 Å²	147	133.3 Å²	133.3	77%	0.77	74%	0.736	S	S	*	*			trans	65.7	170.9	170	-39.4	175	0	0	0	113.7
1467	D	29.5	Very low	31.1	Very low	126 Å²	126	129.6 Å²	129.6	67%	0.674	73%	0.733	S	S	*	*			cis	-162.1	-164.7	-47.7	-88.5	-26.1	0	0	0	105.2
1468	D	31.9	Very low	31.2	Very low	146 Å²	146	128.7 Å²	128.7	78%	0.781	74%	0.736	S	S	*	*			trans	63.4	97.2	158.5	-55.6	-20.2	0	0	0	119.1
1469	D	31.3	Very low	31.3	Very low	160 Å²	160	127.9 Å²	127.9	86%	0.856	74%	0.742	S	S	*	*				31	137	118.7	-60.6	-23.4	0	0	0	121.4
1470	D	35.2	Very low	31.3	Very low	172 Å²	172	123.9 Å²	123.9	92%	0.92	74%	0.735	S	S	*	*			trans	-145.9	137.7	144.9	-145.1	-12.8	0	0	0	110.5
1471	D	31.7	Very low	31.4	Very low	124 Å²	124	125 Å²	125	66%	0.663	75%	0.747	S	S	*	*			trans	-109.3	144.6	-149.8	-153.9	-20.6	0	0	0	113.7	V1473	D1471-V1473 HydrophobicContact CB-CG2 4.27Å; D1471-V1473 PolarHBondContact OD1-N 2.78Å; D1471-V1473 VanDerWaalsContact OD1-N 3.09Å
1472	V	33.2	Very low	31.5	Very low	142 Å²	142	125.3 Å²	125.3	86%	0.861	76%	0.755	S	S	*	*			trans	-140.6	58.1	161.8	-162.1	0	0	0	0	111.6
1473	V	30.9	Very low	31.4	Very low	93 Å²	93	123.7 Å²	123.7	56%	0.564	75%	0.752	S	S	*	*				28.8	117.3	124.6	-155.2	0	0	0	0	115.4	D1471	D1471-V1473 HydrophobicContact CB-CG2 4.27Å; D1471-V1473 PolarHBondContact OD1-N 2.78Å; D1471-V1473 VanDerWaalsContact OD1-N 3.09Å
1474	L	31.6	Very low	31.7	Very low	145 Å²	145	128.4 Å²	128.4	76%	0.759	77%	0.765	S	S	*	*				-163.6	128.8	83.8	-85.6	160.4	0	0	0	114
1475	I	32.7	Very low	32	Very low	148 Å²	148	130.1 Å²	130.1	76%	0.759	77%	0.768	S	S	*	*			trans	66.2	92	146.3	-56.1	172.6	0	0	0	115.7
1476	A	33.7	Very low	32	Very low	91 Å²	91	130.6 Å²	130.6	75%	0.752	78%	0.777	S	S	*	*				83.8	145	78.8	0	0	0	0	0	114
1477	S	34.9	Very low	32.2	Very low	109 Å²	109	132.5 Å²	132.5	76%	0.762	78%	0.782	S	S	*	*			cis	-174.8	160.6	0.2	38.1	0	0	0	0	108.8
1478	S	34.2	Very low	32.2	Very low	100 Å²	100	135.6 Å²	135.6	70%	0.699	79%	0.79	S	S	*	*			cis	-175.8	168.8	-13.8	52.3	0	0	0	0	109.7
1479	S	34	Very low	32.3	Very low	122 Å²	122	138.5 Å²	138.5	85%	0.853	80%	0.795	S	S	*	*			trans	61.4	147.6	159.9	56.5	0	0	0	0	119.7
1480	G	31	Very low	32.2	Very low	60 Å²	60	139.2 Å²	139.2	62%	0.619	79%	0.794	S	S	*	*			cis	170.5	128.1	-4.8	0	0	0	0	0	108.6
1481	S	30.6	Very low	32.1	Very low	120 Å²	120	139.2 Å²	139.2	84%	0.839	79%	0.792	S	S	*	*				76.3	101.7	71.7	69.8	0	0	0	0	115.6
1482	V	32.2	Very low	32	Very low	149 Å²	149	138.9 Å²	138.9	90%	0.903	79%	0.794	S	S	*	*			trans	-143.5	150.6	158.2	-178.6	0	0	0	0	108.3
1483	T	28.7	Very low	31.9	Very low	127 Å²	127	138 Å²	138	78%	0.779	79%	0.788	S	S	*	*			trans	-134.5	143.2	-170.7	50.3	0	0	0	0	112.4
1484	E	33.9	Very low	32.1	Very low	182 Å²	182	141.3 Å²	141.3	85%	0.85	80%	0.798	S	S	*	*			trans	-168.5	126	156.8	-102.3	157.2	-157.4	0	0	105
1485	E	32.6	Very low	32.3	Very low	180 Å²	180	142.8 Å²	142.8	84%	0.841	80%	0.801	S	S	*	*				98.7	119.5	52.3	-82.6	-147.1	147.5	0	0	113.5
1486	A	30.5	Very low	32.5	Very low	99 Å²	99	140.9 Å²	140.9	82%	0.818	80%	0.798	S	S	*	*			trans	60.7	167	162	0	0	0	0	0	117.7
1487	E	32.3	Very low	32.6	Very low	187 Å²	187	143 Å²	143	87%	0.874	80%	0.801	S	S	*	*			cis	-144.9	167.2	-4.1	-151.5	172	-149.9	0	0	110.9
1488	K	29.3	Very low	32.6	Very low	191 Å²	191	143.4 Å²	143.4	83%	0.83	79%	0.791	S	S	*	*			trans	-79.1	143.9	179.4	-60	172.1	-178.6	173.9	0	112.4
1489	K	33.4	Very low	32.5	Very low	207 Å²	207	146.2 Å²	146.2	90%	0.9	79%	0.793	S	S	*	*			trans	-136.6	126.7	149	-73.4	-172.2	178.4	169.4	0	111.4
1490	E	29	Very low	32.4	Very low	176 Å²	176	147.6 Å²	147.6	82%	0.822	78%	0.784	S	S	*	*			trans	-83.7	141.2	168.1	-64	167.1	108.2	0	0	109.5
1491	I	34.5	Very low	32.4	Very low	172 Å²	172	150.5 Å²	150.5	88%	0.882	79%	0.79	S	S	*	*			trans	-128.9	135.7	152.7	-62.9	-175.6	0	0	0	107.1
1492	V	28.1	Very low	32.5	Very low	117 Å²	117	153.3 Å²	153.3	71%	0.709	79%	0.789	S	S	*	*			trans	-110.9	-179	-172.5	178.8	0	0	0	0	108.6
1493	V	32.9	Very low	32.4	Very low	122 Å²	122	151.7 Å²	151.7	74%	0.739	78%	0.78	S	S	*	*			trans	97	126.7	175.6	178.8	0	0	0	0	113.1
1494	E	34.2	Very low	32.8	Very low	163 Å²	163	151.1 Å²	151.1	76%	0.762	78%	0.779	S	S	*	*			cis	-150.8	135.7	-13.3	-107.6	166.4	-175.2	0	0	106.3
1495	Q	35.1	Very low	32.6	Very low	176 Å²	176	151.4 Å²	151.4	82%	0.822	78%	0.777	S	S	*	*				51.9	151.9	90.6	-92	-161.7	60.5	0	0	117.3
1496	P	37.9	Very low	32.6	Very low	109 Å²	109	154.6 Å²	154.6	71%	0.708	78%	0.781	S	S	*	*			cis	-112.6	-159.4	-5.4	39.8	-23.6	0	0	0	110.6
1497	V	35.2	Very low	32.7	Very low	134 Å²	134	153.5 Å²	153.5	81%	0.812	78%	0.78	S	S	*	*			cis	-152.4	-166.1	7.9	77.1	0	0	0	0	111
1498	E	34.5	Very low	32.7	Very low	119 Å²	119	149 Å²	149	56%	0.556	78%	0.775	S	S	*	*			trans	-96.2	-177.3	-177.3	-48.5	179.9	108.7	0	0	112.9	K1500	E1498-K1500 IonicContact OE1-NZ 2.64Å; E1498-K1500 PolarHBondContact OE1-NZ 2.91Å; E1498-K1500 IonicContact OE2-NZ 3.73Å
1499	Q	32.3	Very low	32.9	Very low	159 Å²	159	149 Å²	149	74%	0.743	77%	0.774	S	S	*	*			cis	-152.5	121.8	31.1	-68.9	-172.7	-15.4	0	0	116.3
1500	K	31.5	Very low	32.9	Very low	151 Å²	151	145.7 Å²	145.7	66%	0.657	76%	0.762	S	S	*	*				55.9	120.6	120.9	-69.7	169.3	172	137.7	0	124.2	E1498	E1498-K1500 IonicContact OE1-NZ 2.64Å; E1498-K1500 PolarHBondContact OE1-NZ 2.91Å; E1498-K1500 IonicContact OE2-NZ 3.73Å
1501	V	31.9	Very low	33.1	Very low	121 Å²	121	145 Å²	145	73%	0.733	76%	0.759	S	S	*	*				73.6	139.7	120.1	174.3	0	0	0	0	117.4
1502	E	32.8	Very low	33	Very low	178 Å²	178	141 Å²	141	83%	0.832	75%	0.751	S	S	*	*			cis	-148.3	179.8	30.7	-152.4	142.3	-124	0	0	114.9
1503	T	30.1	Very low	33	Very low	115 Å²	115	140.4 Å²	140.4	71%	0.706	75%	0.753	S	S	*	*			trans	-124.8	161.6	172.9	65	0	0	0	0	111.4
1504	P	36.4	Very low	33.1	Very low	116 Å²	116	141 Å²	141	75%	0.753	76%	0.757	S	S	*	*				-156.6	132	107	35.9	-15.8	0	0	0	118.7
1505	K	30.1	Very low	33	Very low	187 Å²	187	138 Å²	138	81%	0.813	76%	0.76	S	S	*	*				27.4	119.1	127.1	-52.3	167.9	-177	170.3	0	119.7
1506	R	33.5	Very low	32.9	Very low	248 Å²	248	135.4 Å²	135.4	94%	0.936	76%	0.761	S	S	*	*				168	137.5	105.9	-97.7	178.4	166	169	-3.6	115.3
1507	G	32.1	Very low	32.6	Very low	76 Å²	76	136.4 Å²	136.4	78%	0.784	77%	0.766	S	S	*	*			trans	86.1	143.4	148.1	0	0	0	0	0	117
1508	A	32.5	Very low	32.4	Very low	93 Å²	93	139.8 Å²	139.8	77%	0.769	77%	0.769	S	S	*	*			cis	164.4	156.8	-26.9	0	0	0	0	0	106.8
1509	K	33.5	Very low	32.6	Very low	189 Å²	189	139.5 Å²	139.5	82%	0.822	78%	0.778	S	S	*	*			trans	72.2	153.3	-177.5	-58.8	-167.9	171.6	-175.7	0	115.6
1510	Q	32.5	Very low	32.7	Very low	138 Å²	138	141.1 Å²	141.1	65%	0.645	78%	0.782	S	S	*	*			cis	178.7	144.1	-40.8	-113.7	167.5	-28.4	0	0	106.9
1511	Q	33.7	Very low	32.9	Very low	161 Å²	161	145 Å²	145	75%	0.752	79%	0.793	S	S	*	*			trans	46.4	113.5	143.3	-64.4	156.9	-21.2	0	0	118.5
1512	A	31.8	Very low	33.1	Very low	88 Å²	88	143.9 Å²	143.9	73%	0.727	80%	0.796	S	S	*	*				88.8	134.4	50.6	0	0	0	0	0	115.9
1513	S	29.6	Very low	33.3	Very low	105 Å²	105	139.8 Å²	139.8	73%	0.734	79%	0.793	S	S	*	*			trans	82.1	161.9	149.3	81.2	0	0	0	0	121.3
1514	T	33.8	Very low	33.6	Very low	135 Å²	135	141.6 Å²	141.6	83%	0.828	79%	0.793	S	S	*	*			trans	78.5	107	167.1	62.1	0	0	0	0	119.4
1515	A	31.7	Very low	33.4	Very low	99 Å²	99	144.3 Å²	144.3	82%	0.818	79%	0.793	S	S	*	*			trans	-71.2	167.5	165.9	0	0	0	0	0	113.2
1516	S	33.4	Very low	33.8	Very low	123 Å²	123	140.2 Å²	140.2	86%	0.86	79%	0.785	S	S	*	*			trans	-164.5	153.9	131	49.1	0	0	0	0	113
1517	T	31.6	Very low	33.7	Very low	130 Å²	130	137.5 Å²	137.5	80%	0.798	78%	0.78	S	S	*	*			trans	-91.9	144.5	-178.9	21.1	0	0	0	0	113.1
1518	K	32.2	Very low	33.8	Very low	204 Å²	204	144.2 Å²	144.2	89%	0.887	78%	0.782	S	S	*	*				-175.2	142.6	122.2	-100.2	150.1	-171.8	166.5	0	114.1
1519	P	38.5	Very low	33.9	Very low	113 Å²	113	147.4 Å²	147.4	73%	0.734	78%	0.781	S	S	*	*			trans	-99.1	164.3	178.6	38.7	-35.6	0	0	0	113.5
1520	K	34.3	Very low	33.9	Very low	194 Å²	194	145 Å²	145	84%	0.843	78%	0.776	S	S	*	*			trans	-171.1	126.9	147.6	-110.3	159.1	-172.2	176.8	0	115.8
1521	R	34.2	Very low	33.9	Very low	232 Å²	232	147.3 Å²	147.3	88%	0.875	78%	0.784	S	S	*	*			trans	49.4	113.3	134.5	-77.2	-174.7	169.5	-175.6	-4.1	121.9
1522	A	36	Very low	33.9	Very low	98 Å²	98	148.7 Å²	148.7	81%	0.81	79%	0.787	S	S	*	*				94.4	162.9	108	0	0	0	0	0	122
1523	A	37.5	Very low	34.2	Very low	91 Å²	91	155.8 Å²	155.8	75%	0.752	80%	0.795	S	S	*	*			trans	80.7	97.1	163.9	0	0	0	0	0	120
1524	E	37.6	Very low	34.9	Very low	153 Å²	153	155.4 Å²	155.4	72%	0.715	79%	0.79	S	S	*	*				40.4	125.2	122.8	-61.6	-154.9	98.3	0	0	123
1525	K	32.2	Very low	35	Very low	174 Å²	174	154.9 Å²	154.9	76%	0.757	79%	0.787	S	S	*	*				45.7	156.2	120.7	-64.1	175.1	-167.5	146	0	121.1
1526	P	37.8	Very low	35.3	Very low	100 Å²	100	155.9 Å²	155.9	65%	0.649	78%	0.779	S	S	*	*			cis	-145	-178.9	-30.3	40.9	-23.4	0	0	0	115.3
1527	K	32	Very low	35.6	Very low	191 Å²	191	153.2 Å²	153.2	83%	0.83	76%	0.755	S	S	*	*			trans	73.7	145.6	149.7	-78.8	166.4	-178	173.1	0	120.5
1528	R	34.3	Very low	36	Very low	218 Å²	218	150.3 Å²	150.3	82%	0.823	73%	0.731	S	S	*	*			trans	80.4	97.6	151.6	-79.4	179.8	166.9	160.7	-1.9	121.8
1529	E	33.2	Very low	36.3	Very low	160 Å²	160	149.2 Å²	149.2	75%	0.748	73%	0.726	S	S	*	*				73	146.5	107	-97.7	179.6	134.5	0	0	123.8
1530	I	34.9	Very low	36.4	Very low	139 Å²	139	152.1 Å²	152.1	71%	0.713	73%	0.727	S	S	*	*			trans	86.4	85.8	156.8	-60.2	153	0	0	0	119.1
1531	K	32.4	Very low	36.5	Very low	185 Å²	185	146.1 Å²	146.1	80%	0.804	72%	0.72	S	S	*	*				50.6	131.8	116.9	-70.6	172.9	178	168.5	0	122.6
1532	K	33.9	Very low	37	Very low	191 Å²	191	140.8 Å²	140.8	83%	0.83	72%	0.716	S	S	*	*			trans	84.5	104.5	140.9	-74.7	179.3	174.1	-167.6	0	121.2
1533	R	37.6	Very low	37.1	Very low	237 Å²	237	141 Å²	141	89%	0.894	71%	0.711	S	S	*	*				18.9	158.1	97.8	-102.9	-172.7	-172.6	-164.4	3.5	118.1
1534	P	42.8	Very low	37.1	Very low	96 Å²	96	145.7 Å²	145.7	62%	0.623	72%	0.715	S	S	*	*			cis	-150.7	-177.4	14.2	35.2	-10	0	0	0	119.2
1535	T	38	Very low	37.1	Very low	125 Å²	125	149.7 Å²	149.7	77%	0.767	72%	0.723	S	S	*	*			trans	57.8	158.5	138.9	51.2	0	0	0	0	124.4
1536	N	37.8	Very low	37.2	Very low	119 Å²	119	145.9 Å²	145.9	64%	0.636	72%	0.719	S	S	*	*			cis	178.2	171.9	-26.6	-166.6	26.3	0	0	0	111.8
1537	D	39.5	Very low	37	Very low	67 Å²	67	150.8 Å²	150.8	36%	0.358	73%	0.73	S	S	.	*			trans	104.9	142.3	137.2	-79.3	-64.2	0	0	0	129.1	S1415 S1416 G1417	S1415-D1537 WeakPolarHBondContact CB-OD1 3.49Å; S1416-D1537 VanDerWaalsContact CA-CB 3.47Å; S1416-D1537 WeakPolarHBondContact CA-OD2 3.37Å; S1416-D1537 PolarHBondContact N-OD1 3.01Å; S1416-D1537 PolarHBondContact N-OD2 2.97Å; G1417-D1537 PolarHBondContact N-OD2 2.87Å; G1417-D1537 VanDerWaalsContact N-OD2 3.16Å
1538	K	38.8	Very low	37.2	Very low	70 Å²	70	151 Å²	151	30%	0.304	73%	0.731	S	S	.	*			trans	49.3	136.7	147.5	-81.7	-153.1	-164.9	144	0	124.4	D1414 S1415 S1416	D1414-K1538 WeakPolarHBondContact O-CE 3.38Å; D1414-K1538 PolarHBondContact O-NZ 2.89Å; S1415-K1538 WeakPolarHBondContact O-CE 3.29Å; S1415-K1538 PolarHBondContact O-NZ 3.07Å; S1415-K1538 WeakPolarHBondContact OG-CE 3.28Å; S1416-K1538 WeakPolarHBondContact OG-CE 3.38Å; S1416-K1538 PolarHBondContact OG-NZ 2.89Å
1539	K	39.7	Very low	37.1	Very low	180 Å²	180	146 Å²	146	78%	0.783	73%	0.729	S	S	*	*				-177.9	133.7	88	-91.9	179.6	-172.9	164.6	0	115.3
1540	K	40.7	Very low	37.5	Very low	174 Å²	174	144 Å²	144	76%	0.757	73%	0.73	S	S	*	*			trans	36.8	150.7	138.6	-50.9	-167.4	176.1	-165.9	0	121.5
1541	G	35.8	Very low	37.7	Very low	68 Å²	68	142.7 Å²	142.7	70%	0.701	73%	0.73	S	S	*	*			cis	-170.5	-127.8	14.7	0	0	0	0	0	116.8
1542	P	44.7	Very low	37.7	Very low	121 Å²	121	138.8 Å²	138.8	79%	0.786	73%	0.727	S	S	*	*				-142.3	155.2	-123	39.2	-19.2	0	0	0	121.7
1543	S	38	Very low	37.7	Very low	101 Å²	101	138.3 Å²	138.3	71%	0.706	73%	0.727	S	S	*	*			trans	88.1	129	139.5	77.4	0	0	0	0	124.2
1544	K	38.2	Very low	37.4	Very low	190 Å²	190	133 Å²	133	83%	0.826	72%	0.721	S	S	*	*				164.9	134.4	110.4	-88.9	166.4	-176.3	172.4	0	116.2
1545	R	37.1	Very low	36.9	Very low	237 Å²	237	132.8 Å²	132.8	89%	0.894	72%	0.722	S	S	*	*			trans	34.9	152.6	144.2	-68	-177.2	176.7	179.2	-2	122.9
1546	S	33.7	Very low	36.5	Very low	95 Å²	95	135.6 Å²	135.6	66%	0.664	73%	0.727	S	S	*	*			cis	178.6	144.9	-20	58	0	0	0	0	114.6
1547	K	34.3	Very low	36.3	Very low	202 Å²	202	137 Å²	137	88%	0.878	73%	0.734	S	S	*	*			trans	66.6	112.3	156.6	-64.8	-177.1	177	-175.6	0	122.3
1548	K	35.2	Very low	35.9	Very low	197 Å²	197	138 Å²	138	86%	0.857	75%	0.746	S	S	*	*				164.6	134.1	111.7	-96.1	-172.6	175.2	-176.1	0	115
1549	S	32.9	Very low	35.6	Very low	112 Å²	112	140.7 Å²	140.7	78%	0.783	77%	0.768	S	S	*	*			trans	60.8	155.1	147.5	-55.2	0	0	0	0	123.2
1550	P	42.1	Very low	35.1	Very low	119 Å²	119	139.4 Å²	139.4	77%	0.773	77%	0.769	S	S	*	*			trans	-115.2	-167.3	-177.4	47.8	-36.9	0	0	0	112.6
1551	P	39.2	Very low	34.7	Very low	110 Å²	110	136.6 Å²	136.6	71%	0.714	77%	0.767	S	S	*	*			cis	-134.9	-169.4	-0.4	41.1	-21.1	0	0	0	116.6
1552	S	32.7	Very low	34.4	Very low	104 Å²	104	139.6 Å²	139.6	73%	0.727	77%	0.771	S	S	*	*			trans	79.4	134.7	153.1	37.3	0	0	0	0	123.5
1553	E	32.5	Very low	33.8	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	77%	0.768	S	S	*	*			trans	84.9	109.6	149.4	-70.5	-179.3	175.9	0	0	124.6
1554	V	32.4	Very low	33.3	Very low	125 Å²	125	141.3 Å²	141.3	76%	0.758	77%	0.774	S	S	*	*				85.8	140.2	125.6	176.9	0	0	0	0	122.7
1555	S	31.2	Very low	33	Very low	93 Å²	93	138.3 Å²	138.3	65%	0.65	77%	0.774	S	S	*	*			trans	66.3	122.9	160.1	58.4	0	0	0	0	123
1556	E	31	Very low	32.6	Very low	184 Å²	184	134.9 Å²	134.9	86%	0.86	77%	0.768	S	S	*	*			trans	52.7	122.6	131.3	-62.6	170.4	-173.5	0	0	120.9
1557	D	33.4	Very low	32.3	Very low	148 Å²	148	134.4 Å²	134.4	79%	0.791	77%	0.765	S	S	*	*				-177.4	151.4	81.6	-158.6	2.9	0	0	0	114.7
1558	S	31.2	Very low	32	Very low	88 Å²	88	127.6 Å²	127.6	62%	0.615	74%	0.738	S	S	*	*			trans	70.9	123.6	144.5	79.7	0	0	0	0	125.1
1559	V	31.4	Very low	31.7	Very low	126 Å²	126	124.5 Å²	124.5	76%	0.764	74%	0.735	S	S	*	*				92.7	123.1	114	161.2	0	0	0	0	124
1560	L	30.3	Very low	31.4	Very low	154 Å²	154	123.9 Å²	123.9	81%	0.806	72%	0.722	S	S	*	*			trans	68.7	147.2	157	-69.1	165	0	0	0	119.9
1561	T	31.7	Very low	30.7	Very low	115 Å²	115	122.9 Å²	122.9	71%	0.706	72%	0.719	S	S	*	*			cis	-140.9	137.5	4.6	42.9	0	0	0	0	114.4
1562	V	29.9	Very low	30.1	Very low	130 Å²	130	123.1 Å²	123.1	79%	0.788	71%	0.714	S	S	*	*			trans	38.7	113.9	132.1	-170.4	0	0	0	0	121.4
1563	S	31.5	Very low	30.2	Very low	105 Å²	105	120.3 Å²	120.3	73%	0.734	69%	0.69	S	S	*	*				-177.6	118.9	116.3	62.3	0	0	0	0	112.8
1564	D	27.3	Very low	30.1	Very low	153 Å²	153	112.7 Å²	112.7	82%	0.818	66%	0.655	S	S	*	*			trans	17.2	137.2	158.8	-40.6	-31.9	0	0	0	121.8
1565	P	33.2	Very low	30.1	Very low	127 Å²	127	107.5 Å²	107.5	83%	0.825	63%	0.625	S	S	*	*				-137.9	148.5	120.8	38.4	-28.3	0	0	0	115.2
1566	E	27.4	Very low	30.1	Very low	165 Å²	165	105.2 Å²	105.2	77%	0.771	60%	0.604	S	S	*	*			trans	-91	-172.3	160.7	-61.6	172.7	136.7	0	0	110.1
1567	S	28.2	Very low	29.9	Very low	86 Å²	86	97.5 Å²	97.5	60%	0.601	57%	0.571	S	S	*	*			trans	79.3	80.1	175.9	70.1	0	0	0	0	118.4
1568	D	26.7	Very low	29.7	Very low	59 Å²	59	94.2 Å²	94.2	32%	0.316	55%	0.55	S	S	.	*				41.3	123.7	116.9	-25	-28	0	0	0	120.4	N1338 E1339	N1338-D1568 WeakPolarHBondContact CA-OD2 3.27Å; N1338-D1568 WeakPolarHBondContact CB-OD2 3.47Å; N1338-D1568 PolarHBondContact OD1-OD2 2.82Å; E1339-D1568 WeakPolarHBondContact CA-OD2 3.11Å; E1339-D1568 HydrophobicContact CB-CB 4.14Å; E1339-D1568 HydrophobicContact CG-CB 3.9Å; E1339-D1568 PolarHBondContact N-OD2 2.94Å; E1339-D1568 WeakPolarHBondContact OE1-CA 3.35Å; E1339-D1568 VanDerWaalsContact OE1-CB 3.27Å; E1339-D1568 WeakPolarHBondContact OE1-CB 3.49Å
1569	V	29.9	Very low	29.5	Very low	131 Å²	131	91.2 Å²	91.2	79%	0.794	53%	0.529	S	S	*	.			trans	-144	111.3	147.1	-178	0	0	0	0	109.1	S1571	V1569-S1571 PolarHBondContact O-N 3.08Å
1570	L	26.8	Very low	29.3	Very low	99 Å²	99	88.4 Å²	88.4	52%	0.518	52%	0.515	S	S	.	.			trans	-63.9	115.4	163.7	-95.2	164	0	0	0	109.6
1571	S	28	Very low	29.5	Very low	99 Å²	99	83.9 Å²	83.9	69%	0.692	49%	0.492	S	S	*	.			trans	-115.2	67	164.8	68.3	0	0	0	0	109.9	V1569 I1573	V1569-S1571 PolarHBondContact O-N 3.08Å; S1571-I1573 PolarHBondContact O-N 2.76Å
1572	D	26.6	Very low	29.4	Very low	114 Å²	114	82.5 Å²	82.5	61%	0.61	48%	0.48	S	S	*	.			trans	-52.4	130.7	152.1	-63.8	-55.5	0	0	0	107.7
1573	I	34.3	Very low	29.4	Very low	45 Å²	45	77.6 Å²	77.6	23%	0.231	46%	0.456	C	S	.	.			trans	151.2	112.8	160	-85.5	163.1	0	0	0	110	K496 D552 S1571	K496-I1573 HydrophobicContact CD-CD1 4.32Å; K496-I1573 VanDerWaalsContact NZ-CD1 3.29Å; D552-I1573 VanDerWaalsContact OD1-CG2 3.29Å; D552-I1573 WeakPolarHBondContact OD1-CG2 3.02Å; D552-I1573 VanDerWaalsContact OD2-CG2 3.3Å; D552-I1573 WeakPolarHBondContact OD2-CG2 3.12Å; S1571-I1573 PolarHBondContact O-N 2.76Å
1574	D	30.8	Very low	29.3	Very low	21 Å²	21	77 Å²	77	11%	0.112	45%	0.447	C	S	.	.			trans	-82.5	164.3	163.6	-50.5	-76.7	0	0	0	111.8	R720 Y764	R720-D1574 HydrophobicContact CB-CB 4.12Å; R720-D1574 WeakPolarHBondContact CD-O 3.33Å; R720-D1574 PolarHBondContact NH1-O 2.8Å; Y764-D1574 WeakPolarHBondContact CE2-OD1 3.26Å; Y764-D1574 PolarHBondContact OH-OD1 3.23Å
1575	A	30.9	Very low	29.3	Very low	16 Å²	16	78.3 Å²	78.3	13%	0.132	45%	0.446	C	S	.	.			trans	-123.6	167.5	155.1	0	0	0	0	0	110.4	M716 H766	M716-A1575 HydrophobicContact CE-CB 3.29Å; H766-A1575 PolarHBondContact CD2-N 3.46Å; H766-A1575 WeakPolarHBondContact CE1-CB 3.38Å; H766-A1575 PolarHBondContact CE1-N 3.08Å; H766-A1575 WeakPolarHBondContact NE2-CA 3.2Å; H766-A1575 VanDerWaalsContact NE2-CB 3.31Å; H766-A1575 WeakPolarHBondContact NE2-CB 3.33Å; H766-A1575 PolarHBondContact NE2-N 3.27Å; H766-A1575 PolarHBondContact NE2-O 3.19Å
1576	F	31.1	Very low	29.1	Very low	45 Å²	45	77.9 Å²	77.9	20%	0.197	44%	0.435	C	S	.	.			trans	-131.7	155	178.5	-129.4	-114.6	0	0	0	111.1	P731 K735 L836 E844	P731-F1576 HydrophobicContact CB-CD1 4.3Å; P731-F1576 HydrophobicContact CB-CD2 3.32Å; P731-F1576 HydrophobicContact CB-CE1 4.07Å; P731-F1576 HydrophobicContact CB-CE2 3.03Å; P731-F1576 HydrophobicContact CB-CG 3.94Å; P731-F1576 HydrophobicContact CB-CZ 3.43Å; P731-F1576 VanDerWaalsContact CB-CZ 3.43Å; P731-F1576 HydrophobicContact CG-CD2 4.36Å; P731-F1576 HydrophobicContact CG-CE2 4.39Å; K735-F1576 HydrophobicContact CD-CE2 3.92Å; K735-F1576 HydrophobicContact CD-CZ 4.4Å; K735-F1576 HydrophobicContact CG-CE2 4.18Å; K735-F1576 HydrophobicContact CG-CZ 4.3Å; L836-F1576 HydrophobicContact CD1-CD1 4.49Å; L836-F1576 HydrophobicContact CD1-CE1 3.98Å; E844-F1576 HydrophobicContact CG-CZ 4.12Å; E844-F1576 WeakPolarHBondContact OE1-CE1 3.49Å; E844-F1576 WeakPolarHBondContact OE1-CZ 3.45Å
1577	A	28.5	Very low	29.1	Very low	21 Å²	21	75.6 Å²	75.6	17%	0.174	43%	0.428	C	S	.	.			trans	-66.3	137.3	-177.8	0	0	0	0	0	111.6	D838 I843 S1579	D838-A1577 HydrophobicContact CB-CB 3.49Å; D838-A1577 VanDerWaalsContact CB-CB 3.49Å; I843-A1577 HydrophobicContact CD1-CB 4.3Å; A1577-S1579 PolarHBondContact O-N 2.59Å
1578	F	27.5	Very low	29.2	Very low	80 Å²	80	79 Å²	79	35%	0.351	43%	0.429	S	S	.	.			trans	-75.1	84.6	158.2	-110.4	-109	0	0	0	108.4	L599 E689 I712 S1580	L599-F1578 HydrophobicContact CD1-CB 3.5Å; L599-F1578 VanDerWaalsContact CD1-CB 3.5Å; L599-F1578 HydrophobicContact CD1-CD1 4.32Å; L599-F1578 HydrophobicContact CD1-CG 4.25Å; E689-F1578 VanDerWaalsContact OE2-CE1 3.31Å; E689-F1578 WeakPolarHBondContact OE2-CE1 3.32Å; I712-F1578 HydrophobicContact CG2-CE2 3.51Å; I712-F1578 HydrophobicContact CG2-CZ 3.66Å; F1578-S1580 PolarHBondContact O-N 2.7Å
1579	S	27.9	Very low	29.5	Very low	25 Å²	25	85.8 Å²	85.8	18%	0.175	45%	0.45	C	S	.	.			trans	-74.1	116.5	163.9	179.8	0	0	0	0	108	F837 A1577 D1581	F837-S1579 PolarHBondContact N-OG 3.33Å; F837-S1579 WeakPolarHBondContact O-CB 3.43Å; A1577-S1579 PolarHBondContact O-N 2.59Å; S1579-D1581 PolarHBondContact O-N 2.93Å
1580	S	27.2	Very low	29.7	Very low	66 Å²	66	87.2 Å²	87.2	46%	0.462	45%	0.446	S	S	.	.			trans	-69.9	99.8	175.3	55.5	0	0	0	0	109.8	F1578 D1582	F1578-S1580 PolarHBondContact O-N 2.7Å; S1580-D1582 PolarHBondContact O-N 2.83Å
1581	D	33.3	Very low	30	Very low	60 Å²	60	84.8 Å²	84.8	32%	0.321	44%	0.436	S	S	.	.			trans	-77.3	85.3	-171.1	-119.9	-65.2	0	0	0	112.7	R683 N834 S1579 G1583	R683-D1581 VanDerWaalsContact CZ-CG 3.49Å; R683-D1581 IonicContact CZ-OD1 2.75Å; R683-D1581 IonicContact CZ-OD2 2.72Å; R683-D1581 IonicContact NE-OD1 3.52Å; R683-D1581 IonicContact NE-OD2 3.13Å; R683-D1581 IonicContact NH2-OD1 3.62Å; R683-D1581 PolarHBondContact NH2-OD1 3.49Å; R683-D1581 IonicContact NH2-OD2 3.69Å; R683-D1581 PolarHBondContact NH2-OD2 2.89Å; N834-D1581 PolarHBondContact ND2-OD1 2.67Å; S1579-D1581 PolarHBondContact O-N 2.93Å; D1581-G1583 PolarHBondContact O-N 2.95Å
1582	D	29.7	Very low	30.4	Very low	86 Å²	86	82.6 Å²	82.6	46%	0.46	42%	0.423	S	S	.	.			trans	-65.7	97.1	178.4	-117.2	-35.2	0	0	0	111.4	T1105 S1580 V1584	T1105-D1582 HydrophobicContact CG2-CB 3.63Å; S1580-D1582 PolarHBondContact O-N 2.83Å; D1582-V1584 PolarHBondContact O-N 2.9Å
1583	G	30.1	Very low	31	Very low	27 Å²	27	80.4 Å²	80.4	28%	0.278	41%	0.414	S	S	.	.			trans	-58.7	93.6	-174	0	0	0	0	0	114.7	N686 D1581	N686-G1583 PolarHBondContact ND2-O 3.19Å; D1581-G1583 PolarHBondContact O-N 2.95Å
1584	V	30.7	Very low	31.3	Very low	91 Å²	91	81 Å²	81	55%	0.552	42%	0.421	S	S	*	.			trans	-23.9	124.7	177.1	-178.5	0	0	0	0	115.9	D1582 I1586	D1582-V1584 PolarHBondContact O-N 2.9Å; V1584-I1586 HydrophobicContact CG1-CG1 4.11Å; V1584-I1586 PolarHBondContact O-N 3.01Å
1585	K	25.9	Very low	31.7	Very low	182 Å²	182	88.8 Å²	88.8	79%	0.791	45%	0.449	S	S	*	.			trans	-67.9	84.3	166	-73.4	175.6	179.7	163.6	0	111.7
1586	I	28.7	Very low	32.2	Very low	118 Å²	118	97.1 Å²	97.1	61%	0.605	48%	0.477	S	S	*	.			trans	-74.6	125.8	161.1	-57.8	179.8	0	0	0	108.1	V1584 Y1588	V1584-I1586 HydrophobicContact CG1-CG1 4.11Å; V1584-I1586 PolarHBondContact O-N 3.01Å; I1586-Y1588 VanDerWaalsContact O-CD2 3.29Å; I1586-Y1588 WeakPolarHBondContact O-CD2 3.5Å; I1586-Y1588 PolarHBondContact O-N 3.1Å; I1586-Y1588 VanDerWaalsContact O-N 3.09Å
1587	D	28.8	Very low	32.9	Very low	116 Å²	116	99.5 Å²	99.5	62%	0.62	49%	0.491	S	S	*	.			trans	-66.2	110.5	174.6	-177.2	8	0	0	0	110.1	R1589	D1587-R1589 PolarHBondContact O-N 3.45Å; D1587-R1589 WeakPolarHBondContact OD1-CG 3.39Å; D1587-R1589 IonicContact OD1-NE 2.66Å; D1587-R1589 WeakPolarHBondContact OD2-CD 3.48Å; D1587-R1589 IonicContact OD2-NE 3.89Å
1588	Y	30.4	Very low	33.7	Very low	158 Å²	158	104 Å²	104	62%	0.62	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	14.9	-168.5	-101.9	-92	0	0	0	115.5	I1586 F1590 T1591	I1586-Y1588 VanDerWaalsContact O-CD2 3.29Å; I1586-Y1588 WeakPolarHBondContact O-CD2 3.5Å; I1586-Y1588 PolarHBondContact O-N 3.1Å; I1586-Y1588 VanDerWaalsContact O-N 3.09Å; Y1588-F1590 VanDerWaalsContact C-N 3.29Å; Y1588-F1590 PolarHBondContact O-N 2.78Å; Y1588-T1591 HydrophobicContact CD1-CG2 4.28Å; Y1588-T1591 VanDerWaalsContact CD1-OG1 3.29Å; Y1588-T1591 WeakPolarHBondContact CD1-OG1 3.45Å; Y1588-T1591 HydrophobicContact CE1-CG2 4Å
1589	R	31.4	Very low	34.3	Very low	201 Å²	201	104.1 Å²	104.1	76%	0.758	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-24.2	179.8	-75	179.4	-178.7	-153.4	-4.9	114.3	D1587	D1587-R1589 PolarHBondContact O-N 3.45Å; D1587-R1589 WeakPolarHBondContact OD1-CG 3.39Å; D1587-R1589 IonicContact OD1-NE 2.66Å; D1587-R1589 WeakPolarHBondContact OD2-CD 3.48Å; D1587-R1589 IonicContact OD2-NE 3.89Å
1590	F	34.2	Very low	34.9	Very low	161 Å²	161	109.8 Å²	109.8	71%	0.706	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-38.3	177	-131	-104.4	0	0	0	113.5	Y1588 A1592 V1593 C1594	Y1588-F1590 VanDerWaalsContact C-N 3.29Å; Y1588-F1590 PolarHBondContact O-N 2.78Å; F1590-A1592 PolarHBondContact O-N 2.89Å; F1590-V1593 WeakPolarHBondContact O-CA 3.49Å; F1590-V1593 WeakPolarHBondContact O-CB 3.42Å; F1590-V1593 PolarHBondContact O-N 2.85Å; F1590-C1594 PolarHBondContact O-N 2.98Å; F1590-C1594 VanDerWaalsContact O-N 3.1Å
1591	T	34.9	Very low	35.5	Very low	49 Å²	49	116.1 Å²	116.1	30%	0.301	56%	0.558	S	S	.	*	H	α-helix	trans	-64.8	-29.2	-177.8	-22.5	0	0	0	0	112.5	Y1588 V1593 R1595	Y1588-T1591 HydrophobicContact CD1-CG2 4.28Å; Y1588-T1591 VanDerWaalsContact CD1-OG1 3.29Å; Y1588-T1591 WeakPolarHBondContact CD1-OG1 3.45Å; Y1588-T1591 HydrophobicContact CE1-CG2 4Å; T1591-V1593 VanDerWaalsContact C-N 3.28Å; T1591-V1593 PolarHBondContact O-N 2.78Å; T1591-R1595 WeakPolarHBondContact O-CB 3.5Å; T1591-R1595 WeakPolarHBondContact O-CG 3.38Å; T1591-R1595 PolarHBondContact O-N 2.75Å
1592	A	35.1	Very low	35.8	Very low	52 Å²	52	118.8 Å²	118.8	43%	0.43	58%	0.577	S	S	.	*	H	α-helix	trans	-67.3	-25.4	171.2	0	0	0	0	0	113.5	F1590 R1596	F1590-A1592 PolarHBondContact O-N 2.89Å; A1592-R1596 WeakPolarHBondContact O-CB 3.29Å; A1592-R1596 WeakPolarHBondContact O-CD 3.29Å; A1592-R1596 VanDerWaalsContact O-CG 3.25Å; A1592-R1596 WeakPolarHBondContact O-CG 3.48Å; A1592-R1596 PolarHBondContact O-N 3.26Å
1593	V	39	Very low	36.1	Very low	69 Å²	69	119 Å²	119	42%	0.418	58%	0.584	S	S	.	*	H	α-helix	trans	-80.8	-49.4	174.6	-179.4	0	0	0	0	109.8	F1590 T1591 R1595 R1596 I1597	F1590-V1593 WeakPolarHBondContact O-CA 3.49Å; F1590-V1593 WeakPolarHBondContact O-CB 3.42Å; F1590-V1593 PolarHBondContact O-N 2.85Å; T1591-V1593 VanDerWaalsContact C-N 3.28Å; T1591-V1593 PolarHBondContact O-N 2.78Å; V1593-R1595 PolarHBondContact O-N 2.85Å; V1593-R1596 CarbonylContact O-C 3.58Å; V1593-R1596 WeakPolarHBondContact O-CA 3.44Å; V1593-R1596 PolarHBondContact O-N 3.11Å; V1593-I1597 HydrophobicContact CG1-CD1 3.79Å; V1593-I1597 HydrophobicContact CG1-CG1 4.41Å; V1593-I1597 WeakPolarHBondContact O-CG1 3.02Å; V1593-I1597 PolarHBondContact O-N 2.97Å
1594	C	40.3	Very low	36.3	Very low	56 Å²	56	124.5 Å²	124.5	38%	0.378	61%	0.607	S	S	.	*	H	α-helix	trans	-61	-42.6	178.7	-61.8	0	0	0	0	112.5	F1590 R1596 I1597 I1598	F1590-C1594 PolarHBondContact O-N 2.98Å; F1590-C1594 VanDerWaalsContact O-N 3.1Å; C1594-R1596 VanDerWaalsContact C-N 3.32Å; C1594-R1596 PolarHBondContact O-N 3.31Å; C1594-I1597 PolarHBondContact O-N 3.02Å; C1594-I1598 WeakPolarHBondContact O-CG1 3.27Å; C1594-I1598 PolarHBondContact O-N 2.87Å
1595	R	40.1	Very low	36.6	Very low	186 Å²	186	129.7 Å²	129.7	70%	0.702	62%	0.622	S	S	*	*	H	α-helix	trans	-64.5	-33.7	173.1	-73.4	-176.5	177.1	174.8	0.1	112.4	T1591 V1593 S1599	T1591-R1595 WeakPolarHBondContact O-CB 3.5Å; T1591-R1595 WeakPolarHBondContact O-CG 3.38Å; T1591-R1595 PolarHBondContact O-N 2.75Å; V1593-R1595 PolarHBondContact O-N 2.85Å; R1595-S1599 WeakPolarHBondContact O-CB 3.39Å; R1595-S1599 PolarHBondContact O-N 2.75Å
1596	R	41.6	Very low	36.9	Very low	190 Å²	190	129.2 Å²	129.2	72%	0.717	62%	0.623	S	S	*	*	H	α-helix	trans	-73.9	-24.1	173	-80.7	177	171.3	169.7	-1.2	114.1	A1592 V1593 C1594 K1600	A1592-R1596 WeakPolarHBondContact O-CB 3.29Å; A1592-R1596 WeakPolarHBondContact O-CD 3.29Å; A1592-R1596 VanDerWaalsContact O-CG 3.25Å; A1592-R1596 WeakPolarHBondContact O-CG 3.48Å; A1592-R1596 PolarHBondContact O-N 3.26Å; V1593-R1596 CarbonylContact O-C 3.58Å; V1593-R1596 WeakPolarHBondContact O-CA 3.44Å; V1593-R1596 PolarHBondContact O-N 3.11Å; C1594-R1596 VanDerWaalsContact C-N 3.32Å; C1594-R1596 PolarHBondContact O-N 3.31Å; R1596-K1600 WeakPolarHBondContact O-CB 3.42Å; R1596-K1600 VanDerWaalsContact O-CG 3.25Å; R1596-K1600 WeakPolarHBondContact O-CG 3.36Å; R1596-K1600 PolarHBondContact O-N 3.03Å
1597	I	45.1	Very low	37.1	Very low	96 Å²	96	133.7 Å²	133.7	49%	0.492	64%	0.638	S	S	.	*	H	α-helix	trans	-80	-50.6	174.6	-70.6	170.7	0	0	0	110.2	V1593 C1594 S1599 K1600 Y1601	V1593-I1597 HydrophobicContact CG1-CD1 3.79Å; V1593-I1597 HydrophobicContact CG1-CG1 4.41Å; V1593-I1597 WeakPolarHBondContact O-CG1 3.02Å; V1593-I1597 PolarHBondContact O-N 2.97Å; C1594-I1597 PolarHBondContact O-N 3.02Å; I1597-S1599 PolarHBondContact O-N 2.83Å; I1597-K1600 WeakPolarHBondContact O-CA 3.5Å; I1597-K1600 PolarHBondContact O-N 3.38Å; I1597-Y1601 PolarHBondContact O-N 3.28Å
1598	I	45.3	Very low	37.3	Very low	114 Å²	114	137.6 Å²	137.6	59%	0.585	65%	0.652	S	S	*	*	H	α-helix	trans	-65.3	-42.7	179.4	-64.2	170.2	0	0	0	110.6	C1594 K1600 Y1601 V1602	C1594-I1598 WeakPolarHBondContact O-CG1 3.27Å; C1594-I1598 PolarHBondContact O-N 2.87Å; I1598-K1600 PolarHBondContact O-N 2.93Å; I1598-Y1601 PolarHBondContact O-N 3.46Å; I1598-V1602 HydrophobicContact CG2-CG2 4.5Å; I1598-V1602 PolarHBondContact O-N 3.03Å
1599	S	39.6	Very low	37.6	Very low	83 Å²	83	135 Å²	135	58%	0.58	66%	0.663	S	S	*	*	H	α-helix	trans	-67.9	-12.1	173.1	-171.8	0	0	0	0	114	R1595 I1597 S1603	R1595-S1599 WeakPolarHBondContact O-CB 3.39Å; R1595-S1599 PolarHBondContact O-N 2.75Å; I1597-S1599 PolarHBondContact O-N 2.83Å; S1599-S1603 WeakPolarHBondContact O-CB 3.3Å
1600	K	41.1	Very low	37.9	Very low	144 Å²	144	128.9 Å²	128.9	63%	0.626	66%	0.663	S	S	*	*	H	α-helix	trans	-90.8	-40.1	168.1	-84.9	-177.8	174	-172.9	0	112.1	R1596 I1597 I1598 V1602 S1603 L1604	R1596-K1600 WeakPolarHBondContact O-CB 3.42Å; R1596-K1600 VanDerWaalsContact O-CG 3.25Å; R1596-K1600 WeakPolarHBondContact O-CG 3.36Å; R1596-K1600 PolarHBondContact O-N 3.03Å; I1597-K1600 WeakPolarHBondContact O-CA 3.5Å; I1597-K1600 PolarHBondContact O-N 3.38Å; I1598-K1600 PolarHBondContact O-N 2.93Å; K1600-V1602 VanDerWaalsContact C-N 3.35Å; K1600-V1602 PolarHBondContact O-N 3.26Å; K1600-S1603 PolarHBondContact O-N 3.01Å; K1600-L1604 WeakPolarHBondContact O-CB 3.48Å; K1600-L1604 WeakPolarHBondContact O-CG 3.4Å; K1600-L1604 PolarHBondContact O-N 3.46Å
1601	Y	40.5	Very low	38.2	Very low	199 Å²	199	127.2 Å²	127.2	78%	0.78	67%	0.668	S	S	*	*	H	α-helix	trans	-65.2	-37	179.5	-120.5	-103.2	0	0	0	112.7	I1597 I1598	I1597-Y1601 PolarHBondContact O-N 3.28Å; I1598-Y1601 PolarHBondContact O-N 3.46Å
1602	V	39.5	Very low	38.3	Very low	117 Å²	117	129.8 Å²	129.8	71%	0.709	69%	0.689	S	S	*	*	S	Bend	trans	-80.5	-25.5	175.3	-178.2	0	0	0	0	112.1	I1598 K1600	I1598-V1602 HydrophobicContact CG2-CG2 4.5Å; I1598-V1602 PolarHBondContact O-N 3.03Å; K1600-V1602 VanDerWaalsContact C-N 3.35Å; K1600-V1602 PolarHBondContact O-N 3.26Å
1603	S	35.6	Very low	38.5	Very low	89 Å²	89	136.1 Å²	136.1	62%	0.622	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	1.7	-178.8	-172.1	0	0	0	0	115	S1599 K1600	S1599-S1603 WeakPolarHBondContact O-CB 3.3Å; K1600-S1603 PolarHBondContact O-N 3.01Å
1604	L	35.2	Very low	38.5	Very low	144 Å²	144	141.7 Å²	141.7	75%	0.754	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	13.4	-174.7	-88.3	169.1	0	0	0	115.3	K1600	K1600-L1604 WeakPolarHBondContact O-CB 3.48Å; K1600-L1604 WeakPolarHBondContact O-CG 3.4Å; K1600-L1604 PolarHBondContact O-N 3.46Å
1605	K	35.7	Very low	38.4	Very low	199 Å²	199	148.3 Å²	148.3	87%	0.865	75%	0.747	S	S	*	*	S	Bend	trans	-121.1	-6.7	178.4	-124.4	178.5	-178.2	-178.8	0	116.8
1606	E	33.4	Very low	38.2	Very low	172 Å²	172	144.3 Å²	144.3	80%	0.804	75%	0.754	S	S	*	*	S	Bend	trans	-139.7	80.7	-177.9	-65.7	-168.5	146.2	0	0	113
1607	K	32.5	Very low	37.9	Very low	212 Å²	212	139.8 Å²	139.8	92%	0.922	76%	0.757	S	S	*	*			trans	-174.9	52.4	156.1	-105.2	153.3	-168.9	171.3	0	115.6
1608	Q	33.4	Very low	37.5	Very low	199 Å²	199	144.5 Å²	144.5	93%	0.93	78%	0.777	S	S	*	*			trans	-141	82.4	159.4	-79.1	-160.5	-4.1	0	0	112.2
1609	A	37.3	Very low	37.1	Very low	102 Å²	102	143.1 Å²	143.1	84%	0.843	78%	0.783	S	S	*	*			trans	-163.5	107.2	157.6	0	0	0	0	0	110.3
1610	G	36.3	Very low	36.8	Very low	74 Å²	74	145.2 Å²	145.2	76%	0.763	79%	0.792	S	S	*	*			trans	-79.3	156.5	165.7	0	0	0	0	0	111.3
1611	P	40	Very low	36.5	Very low	125 Å²	125	148 Å²	148	81%	0.812	80%	0.804	S	S	*	*			trans	-92.8	150.5	-163.9	35	-36.2	0	0	0	115
1612	S	38.8	Very low	36.3	Very low	104 Å²	104	148 Å²	148	73%	0.727	81%	0.808	S	S	*	*				178.1	142.4	116.8	51.3	0	0	0	0	117.4
1613	K	39.1	Very low	36.3	Very low	185 Å²	185	147.7 Å²	147.7	80%	0.804	81%	0.808	S	S	*	*			trans	67.7	110.6	138.6	-73.8	167.8	-176.6	168.3	0	122.7
1614	K	38.7	Very low	36.2	Very low	186 Å²	186	152.4 Å²	152.4	81%	0.809	82%	0.818	S	S	*	*				105.9	119.1	125	-74.6	175.2	173.7	-178.7	0	121.3
1615	K	37.8	Very low	36	Very low	195 Å²	195	153.1 Å²	153.1	85%	0.848	82%	0.815	S	S	*	*			trans	64.5	121.7	147.8	-62.1	-171.2	173.5	-166.7	0	117.5
1616	A	35.8	Very low	35.8	Very low	102 Å²	102	150.5 Å²	150.5	84%	0.843	81%	0.806	S	S	*	*				82.5	134.9	53.8	0	0	0	0	0	112.7
1617	A	35.2	Very low	35.8	Very low	95 Å²	95	146.4 Å²	146.4	79%	0.785	80%	0.801	S	S	*	*			cis	-155.5	-160.4	8.6	0	0	0	0	0	113
1618	E	36.8	Very low	35.8	Very low	194 Å²	194	143 Å²	143	91%	0.907	79%	0.793	S	S	*	*			trans	107.2	158.3	156.1	-60	-154.4	103.8	0	0	122.9
1619	A	36.5	Very low	35.7	Very low	86 Å²	86	142.3 Å²	142.3	71%	0.711	79%	0.787	S	S	*	*			trans	-24.1	147.5	-178.2	0	0	0	0	0	120.6
1620	V	34.3	Very low	35.6	Very low	126 Å²	126	142.8 Å²	142.8	76%	0.764	78%	0.784	S	S	*	*			cis	97.2	110.3	34.8	171.7	0	0	0	0	115.3
1621	K	33.3	Very low	35.7	Very low	202 Å²	202	143.7 Å²	143.7	88%	0.878	78%	0.784	S	S	*	*			trans	76.5	143.8	157.8	-74.3	168.2	-177.6	174.8	0	122.2
1622	K	38.2	Very low	36	Very low	199 Å²	199	143.9 Å²	143.9	87%	0.865	79%	0.785	S	S	*	*			trans	-41.6	158	165.2	-68.1	179.3	177.2	-178.3	0	113.6
1623	P	39.3	Very low	35.8	Very low	111 Å²	111	148.4 Å²	148.4	72%	0.721	79%	0.792	S	S	*	*			cis	-160.4	179.3	49.2	45.5	-23.7	0	0	0	121.3
1624	K	32.2	Very low	35.8	Very low	189 Å²	189	149.6 Å²	149.6	82%	0.822	79%	0.791	S	S	*	*			trans	56.6	136.9	140.8	-81	177.3	178.5	-179.2	0	123.9
1625	K	32.1	Very low	35.9	Very low	158 Å²	158	147.2 Å²	147.2	69%	0.687	78%	0.783	S	S	*	*			trans	91.3	135.6	134	-90.4	-176.2	158.6	-136.9	0	122.8
1626	E	31.5	Very low	35.8	Very low	145 Å²	145	143.1 Å²	143.1	68%	0.678	78%	0.775	S	S	*	*			trans	75.3	98.6	136.9	-75.5	160.8	-175.5	0	0	123.7
1627	A	32.6	Very low	36	Very low	85 Å²	85	149.7 Å²	149.7	70%	0.702	78%	0.778	S	S	*	*				83.8	129.1	109	0	0	0	0	0	123.4
1628	N	32.1	Very low	36.1	Very low	140 Å²	140	153.9 Å²	153.9	75%	0.749	78%	0.778	S	S	*	*			trans	80.9	131.2	138.1	-101.6	-42.1	0	0	0	122.3
1629	K	32.2	Very low	36.3	Very low	185 Å²	185	156.8 Å²	156.8	80%	0.804	78%	0.781	S	S	*	*			trans	68.5	150.7	157.1	-60.8	167	-174.1	175.6	0	115.8
1630	S	34.2	Very low	36.5	Very low	113 Å²	113	156.9 Å²	156.9	79%	0.79	78%	0.781	S	S	*	*			cis	-159	156.5	-8.1	35.7	0	0	0	0	110.5
1631	A	39.4	Very low	37.1	Very low	93 Å²	93	157.1 Å²	157.1	77%	0.769	79%	0.786	S	S	*	*			trans	-82.4	166.5	178.4	0	0	0	0	0	114.1
1632	P	45	Very low	37.3	Very low	128 Å²	128	156.6 Å²	156.6	83%	0.831	78%	0.784	S	S	*	*			trans	-122.6	163.7	138.1	36.2	-28.9	0	0	0	113.6
1633	K	36	Very low	37.3	Very low	199 Å²	199	156.8 Å²	156.8	87%	0.865	79%	0.785	S	S	*	*			trans	-105.5	160.2	-177	-54.5	168.4	-179.2	173.4	0	111.1
1634	R	39	Very low	37.2	Very low	210 Å²	210	159.4 Å²	159.4	79%	0.792	79%	0.785	S	S	*	*			trans	161.1	151.7	138.1	-93.9	-175.7	151.3	165	-9.7	113
1635	E	39.5	Very low	37.4	Very low	137 Å²	137	157.7 Å²	157.7	64%	0.64	78%	0.78	S	S	*	*			cis	-156.1	138.8	-21.1	-142.3	158.4	-136.1	0	0	112.9
1636	T	37.5	Very low	37.7	Very low	108 Å²	108	154.2 Å²	154.2	66%	0.663	78%	0.775	S	S	*	*			trans	-7	145.2	166.2	64.2	0	0	0	0	124.1
1637	R	38.6	Very low	37.9	Very low	241 Å²	241	154.3 Å²	154.3	91%	0.909	78%	0.78	S	S	*	*				179.8	155.2	111.9	-95	169.5	-177.3	-157.6	1	109.7
1638	K	38.2	Very low	38.1	Very low	182 Å²	182	156.3 Å²	156.3	79%	0.791	78%	0.779	S	S	*	*			cis	160.3	109.5	-29.2	-112.9	-170	173.3	-180	0	106.8
1639	R	41.4	Very low	38.4	Very low	255 Å²	255	160 Å²	160	96%	0.962	78%	0.782	S	S	*	*				168.8	157.6	129.1	-95.3	173.1	172.8	175.7	-2.8	113.3
1640	A	40.4	Very low	38.6	Very low	88 Å²	88	155 Å²	155	73%	0.727	77%	0.77	S	S	*	*			trans	-140.3	-179.2	173.7	0	0	0	0	0	108.1
1641	P	47.4	Very low	38.9	Very low	131 Å²	131	156.4 Å²	156.4	85%	0.851	77%	0.769	S	S	*	*				-147.6	-168.5	97.1	39.3	-21.5	0	0	0	115.4
1642	K	36.8	Very low	38.9	Very low	192 Å²	192	161 Å²	161	84%	0.835	77%	0.774	S	S	*	*			trans	-105	167.9	-169.2	-45.9	166.3	-178.9	177.2	0	112.2
1643	F	37.7	Very low	38.6	Very low	202 Å²	202	159.1 Å²	159.1	89%	0.886	77%	0.765	S	S	*	*				-149.2	-162.4	126.6	-116	-78	0	0	0	112.2
1644	K	36.4	Very low	38.7	Very low	166 Å²	166	156.3 Å²	156.3	72%	0.722	76%	0.759	S	S	*	*			trans	-156.6	162.7	-134.9	-148.6	-172.4	174.9	-163.8	0	114.7
1645	Q	37.3	Very low	38.6	Very low	154 Å²	154	150.6 Å²	150.6	72%	0.72	75%	0.751	S	S	*	*			trans	73.8	153.6	163.7	-70.8	161.6	-103.5	0	0	117.5
1646	S	37.7	Very low	38.6	Very low	85 Å²	85	153.1 Å²	153.1	59%	0.594	76%	0.76	S	S	*	*			cis	-175.3	145.9	-21.5	51.6	0	0	0	0	113.3
1647	N	35.7	Very low	38.7	Very low	147 Å²	147	155.5 Å²	155.5	79%	0.786	76%	0.764	S	S	*	*			trans	66.9	166.3	158.4	-58.1	5.4	0	0	0	117
1648	L	37.7	Very low	38.7	Very low	127 Å²	127	149.4 Å²	149.4	67%	0.665	76%	0.755	S	S	*	*			cis	-154.5	146.9	10.4	-163.2	77.2	0	0	0	112
1649	W	37.9	Very low	39.5	Very low	218 Å²	218	147.2 Å²	147.2	83%	0.826	76%	0.76	S	S	*	*			trans	61	134.2	166.9	-63.9	-5.5	0	0	0	117.6
1650	S	36.8	Very low	39.3	Very low	78 Å²	78	142.4 Å²	142.4	55%	0.545	75%	0.752	S	S	.	*			cis	84	144.5	33.2	94	0	0	0	0	113.9
1651	D	40.7	Very low	39.1	Very low	143 Å²	143	144 Å²	144	77%	0.765	75%	0.752	S	S	*	*			cis	-113.6	-152.8	1.2	-73.5	-85.2	0	0	0	109.7
1652	E	39.1	Very low	38.7	Very low	189 Å²	189	147 Å²	147	88%	0.883	76%	0.755	S	S	*	*			cis	-153	-151.6	9.3	-155.7	167	-136.2	0	0	110
1653	S	39	Very low	38.6	Very low	90 Å²	90	146.5 Å²	146.5	63%	0.629	76%	0.755	S	S	*	*			trans	-128.5	177.3	-166	64.9	0	0	0	0	112.6
1654	D	38.7	Very low	38.7	Very low	140 Å²	140	142.8 Å²	142.8	75%	0.749	76%	0.755	S	S	*	*			cis	-157.8	174.7	33.6	-126.2	-50.9	0	0	0	116.3
1655	S	37.2	Very low	38.6	Very low	89 Å²	89	142.6 Å²	142.6	62%	0.622	76%	0.761	S	S	*	*			trans	-149.6	155.6	-166.1	60.8	0	0	0	0	113.6
1656	F	39.1	Very low	38.5	Very low	190 Å²	190	140.4 Å²	140.4	83%	0.833	76%	0.763	S	S	*	*			trans	-154.6	98.4	154.8	-105.6	-83.4	0	0	0	108.6
1657	E	39.2	Very low	38.2	Very low	158 Å²	158	141.5 Å²	141.5	74%	0.738	77%	0.771	S	S	*	*				75.5	118.2	85.8	-77.2	-158.8	149.9	0	0	115.9
1658	P	37.8	Very low	38	Very low	113 Å²	113	147.9 Å²	147.9	73%	0.734	79%	0.792	S	S	*	*			trans	-107.6	143.4	167.2	37.2	-28.9	0	0	0	113.2
1659	P	54.8	Low	38	Very low	136 Å²	136	149 Å²	149	88%	0.883	80%	0.799	S	S	*	*			trans	-80.1	156.9	172.7	32.6	-34	0	0	0	113.1
1660	I	37.9	Very low	38	Very low	154 Å²	154	145.3 Å²	145.3	79%	0.79	80%	0.797	S	S	*	*			trans	-114	138.2	-162.8	-93.1	171.2	0	0	0	111.9
1661	V	36.8	Very low	38.1	Very low	121 Å²	121	149.1 Å²	149.1	73%	0.733	81%	0.811	S	S	*	*			trans	61.7	126.4	154.2	167.3	0	0	0	0	119.6
1662	E	38.3	Very low	37.9	Very low	194 Å²	194	149.4 Å²	149.4	91%	0.907	81%	0.814	S	S	*	*				-151.7	153.3	112.9	-115.7	-178.3	-172.5	0	0	111.7
1663	E	34.6	Very low	37.9	Very low	182 Å²	182	146.9 Å²	146.9	85%	0.85	81%	0.809	S	S	*	*			trans	-96.5	151.4	-170.9	-60	176.6	126.8	0	0	112.6
1664	S	39.8	Very low	37.8	Very low	125 Å²	125	150.7 Å²	150.7	87%	0.874	82%	0.821	S	S	*	*			trans	-165.9	134.7	145.9	22.6	0	0	0	0	112.8
1665	D	33.9	Very low	37.7	Very low	161 Å²	161	151.5 Å²	151.5	86%	0.861	83%	0.827	S	S	*	*			trans	-68.6	139.9	175.9	-72.4	-66.2	0	0	0	112.9
1666	S	36.5	Very low	37.8	Very low	109 Å²	109	156.3 Å²	156.3	76%	0.762	84%	0.842	S	S	*	*				-175.5	110.9	119.4	34.6	0	0	0	0	114
1667	S	31.4	Very low	37.7	Very low	107 Å²	107	153.5 Å²	153.5	75%	0.748	84%	0.843	S	S	*	*			trans	20.4	115.5	146.5	60.4	0	0	0	0	120.2
1668	F	31.2	Very low	37.5	Very low	282 Å²	282	153.1 Å²	153.1	100%	1.237	85%	0.853	S	S	*	*				-151.3	0	107.9	-129	-80.8	0	0	0	112.1

Retrieved 1,668 of 1,668 residues in 597.2 ms (Link to these results)

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