A0A087YI49_POEFO Loading...

Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial

Decreases the sensitivity of PDP1 to magnesium ions, and this inhibition is reversed by the polyamine spermine.

AlphaFold DB , UniProt , Accession A0A087YI49, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 892 aa.

						>A0A087YI49_POEFO|A0A087YI49
MCSCVRSSRAMAPALLPRLLLPQMGFRLAGRGLWTSPQCLAVSGDSQLPPVPGQARVVICGGGIVGTSVAYHLAKLGWTDIVLLEQGRLGAGTTRLCAGILSMAKPISIESKMANYSSSLYQQLEEETGVKTGYVKTGSLCLAQNQDRFISLKRLATRLKVLGINCNIIKPKEIAKLHPLVNIHDLVGALHLPDDAVVSSPDVNHALAVAAARQGVQILDRTAVQQVVVEKGQVMAVETDRGSIECEYFVNCAGQWAYELGQASEVKVSVPLHGCEHFYLLTKPLQEPLAPNTPVIIDMDGRMYARPWQGGLLSGGFEKNPKPIFTEGRNQLEIQNMQEDWDHFEPMLSALLRRMPHIETAEIHQLVNCPESFTPDMRCLMGETPGVSGYYVLAGMNSSGLAFAGGAGKYLAEWMTYGYPTANVWPLDIKRFGNLQSSRTFLRHRVMEVMPLLYELKVPRWDFQTGRQLRTSPLYDRLDTQGARWMEKHGFERPKYFVPPGKDLLSLDQSKTFYKPDWFDIVGAEVKCCKEAVCVIDMSSFTKFELTSTGNQALELLQYLCANDLDVPVGHIVHTGMLNERGGYENDCSVVRLSKNSFFIISPTDQQVHCWSWIKKHMPNDPHLHLEDVSWKYTALNLIGPRAMDVLAELSYVSMTPEHFPSMFCKEMSVGYANGIRVMSMTHTGEPGFMLYIPIEYALHVYNEVMSVGQKYGIRNAGYYALRSLRIEKFFAFWGQDLDTFTTPLECGREFRVKFDKDTNFLGREALLQQRQEGVFRRFVMLVLEDHDTELDLWPWWGEPIYRSGQLAGTTTSSAYSYTLERHVCLGFVSPPPGPEGLPTPITPDFINRGDYEVNIAGQRYPAKAKLYPFSSLFTQQKRRKEDMELSNLQGK
					

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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	31	Very low	25.3	Very low	241 Å²	241	157.2 Å²	157.2	100%	1.187	87%	0.868	S	S	*	*				0	142	0	-72.7	173.2	174.1	0	0	108.3
2	C	23.6	Very low	25.3	Very low	114 Å²	114	151.8 Å²	151.8	77%	0.77	86%	0.859	S	S	*	*			trans	24.8	112.5	157.3	-58.2	0	0	0	0	118.9
3	S	23.6	Very low	27.1	Very low	106 Å²	106	149.5 Å²	149.5	74%	0.741	85%	0.854	S	S	*	*				72.9	146.8	82.9	84	0	0	0	0	113.4
4	C	24.8	Very low	26.9	Very low	123 Å²	123	145 Å²	145	83%	0.831	84%	0.844	S	S	*	*			cis	-158.7	171	32	-140.3	0	0	0	0	114.7
5	V	27.3	Very low	26.8	Very low	123 Å²	123	145.5 Å²	145.5	75%	0.745	84%	0.841	S	S	*	*			trans	-75.1	150.8	-179.5	167	0	0	0	0	113.4
6	R	24.9	Very low	26.8	Very low	249 Å²	249	145.6 Å²	145.6	94%	0.94	84%	0.837	S	S	*	*			trans	-163	152.6	133.3	-110.3	169.3	-168	-164.4	2.8	115.3
7	S	24.3	Very low	27.7	Very low	109 Å²	109	144.4 Å²	144.4	76%	0.762	84%	0.835	S	S	*	*			trans	-131.1	157.6	-168.2	56.2	0	0	0	0	111.7
8	S	23.1	Very low	27.8	Very low	126 Å²	126	148.9 Å²	148.9	88%	0.881	84%	0.836	S	S	*	*			trans	-156.1	153.1	154.2	48.6	0	0	0	0	112.2
9	R	25.6	Very low	27.6	Very low	245 Å²	245	150.2 Å²	150.2	93%	0.925	84%	0.84	S	S	*	*			trans	-116.9	145.7	-175.6	-87.8	-179.9	168	179.2	-4	111.5
10	A	27.5	Very low	27.6	Very low	96 Å²	96	149.6 Å²	149.6	79%	0.793	83%	0.834	S	S	*	*			trans	40	135.9	137.2	0	0	0	0	0	122.9
11	M	22.2	Very low	27.6	Very low	197 Å²	197	149.5 Å²	149.5	97%	0.97	83%	0.831	S	S	*	*			trans	-149.9	158.7	137.8	-78.3	-149.4	-156.8	0	0	111.4
12	A	25.6	Very low	27.9	Very low	92 Å²	92	144 Å²	144	76%	0.76	81%	0.813	S	S	*	*			trans	-144.3	-172.3	167.8	0	0	0	0	0	106.9
13	P	48.3	Very low	28.3	Very low	123 Å²	123	147.3 Å²	147.3	80%	0.799	82%	0.818	S	S	*	*			cis	-132.2	-168.5	-13.2	40.9	-22.8	0	0	0	113.4
14	A	25.3	Very low	28.3	Very low	86 Å²	86	151.6 Å²	151.6	71%	0.711	83%	0.828	S	S	*	*			trans	146.9	129.3	131.2	0	0	0	0	0	119.7
15	L	25.7	Very low	28.3	Very low	152 Å²	152	149 Å²	149	80%	0.796	82%	0.822	S	S	*	*			trans	61.3	111.6	134.6	-63.1	167.4	0	0	0	125.9
16	L	26.9	Very low	28	Very low	148 Å²	148	153.4 Å²	153.4	78%	0.775	83%	0.831	S	S	*	*				48.6	163.6	123.2	-76.9	168.1	0	0	0	122.5
17	P	40.8	Very low	28	Very low	125 Å²	125	152.5 Å²	152.5	81%	0.812	83%	0.828	S	S	*	*			cis	-139.6	-171.5	21.7	42.4	-21.1	0	0	0	119
18	R	29.3	Very low	27.9	Very low	226 Å²	226	155.3 Å²	155.3	85%	0.853	83%	0.834	S	S	*	*			trans	-86	165.5	179.3	-63.6	170	164.8	173.2	-6.6	114.5
19	L	24.4	Very low	28	Very low	172 Å²	172	154 Å²	154	90%	0.901	83%	0.83	S	S	*	*			trans	-148	171.6	150.9	-104.9	166.1	0	0	0	112.6
20	L	28.1	Very low	27.9	Very low	139 Å²	139	145.8 Å²	145.8	73%	0.728	82%	0.822	S	S	*	*			trans	-131.4	146.1	-148.7	-73.3	146.5	0	0	0	116.8
21	L	27.6	Very low	27.8	Very low	148 Å²	148	153.5 Å²	153.5	78%	0.775	83%	0.831	S	S	*	*			trans	61.1	170.4	141.2	-77.1	167.8	0	0	0	119.5
22	P	37.9	Very low	27.8	Very low	125 Å²	125	147.5 Å²	147.5	81%	0.812	82%	0.82	S	S	*	*			cis	-134.6	-178	15.5	42.2	-23	0	0	0	118.8
23	Q	31.4	Very low	27.7	Very low	184 Å²	184	151 Å²	151	86%	0.86	83%	0.825	S	S	*	*			trans	-108.5	155.2	174.8	-73.2	-177.3	-31.7	0	0	113.7
24	M	23.7	Very low	26.6	Very low	195 Å²	195	156.6 Å²	156.6	96%	0.961	83%	0.83	S	S	*	*			trans	-153.6	156.1	146.8	-81	-159.3	175.2	0	0	110.6
25	G	23.7	Very low	26.6	Very low	68 Å²	68	158.6 Å²	158.6	70%	0.701	83%	0.834	S	S	*	*			cis	169	3.3	-11.1	0	0	0	0	0	120.6
26	F	22	Very low	26.5	Very low	216 Å²	216	157.3 Å²	157.3	95%	0.947	84%	0.838	S	S	*	*			trans	-115.6	150.2	-170	-99.5	-79	0	0	0	117.4
27	R	23.8	Very low	26.8	Very low	230 Å²	230	156 Å²	156	87%	0.868	84%	0.838	S	S	*	*			trans	-111.7	157.8	-169.2	-63.6	174.5	170.6	-178	-3.2	113.3
28	L	24.1	Very low	26.2	Very low	169 Å²	169	159.3 Å²	159.3	89%	0.885	84%	0.843	S	S	*	*			trans	169.5	110.1	134.3	-89.1	154.8	0	0	0	107.2
29	A	23.6	Very low	26.1	Very low	97 Å²	97	154.1 Å²	154.1	80%	0.802	84%	0.84	S	S	*	*				91.7	114	66.9	0	0	0	0	0	114.4
30	G	23.6	Very low	26.6	Very low	74 Å²	74	154.6 Å²	154.6	76%	0.763	84%	0.842	S	S	*	*			trans	145.9	98.9	159.8	0	0	0	0	0	118.3
31	R	25.7	Very low	26.7	Very low	257 Å²	257	151.7 Å²	151.7	97%	0.97	84%	0.838	S	S	*	*			trans	31.9	126.4	145.3	-51.8	176.7	-179.1	-153.8	-1.2	119
32	G	23.1	Very low	27.4	Very low	72 Å²	72	151.9 Å²	151.9	74%	0.742	85%	0.845	S	S	*	*			cis	123.3	115.4	3.7	0	0	0	0	0	112.7
33	L	23.3	Very low	27.1	Very low	164 Å²	164	151 Å²	151	86%	0.859	84%	0.842	S	S	*	*			trans	-158	99.6	163.7	-105.1	143.6	0	0	0	111.3
34	W	24.6	Very low	27.2	Very low	241 Å²	241	145.9 Å²	145.9	91%	0.913	84%	0.838	S	S	*	*			trans	31	104.4	152.4	-57.7	81.7	0	0	0	120.9
35	T	25	Very low	28.1	Very low	129 Å²	129	144.6 Å²	144.6	79%	0.791	84%	0.835	S	S	*	*			trans	-127.1	129.1	152.2	53	0	0	0	0	109.2	P37	T35-P37 WeakPolarHBondContact O-CD 3.35Å
36	S	24.9	Very low	29.2	Very low	125 Å²	125	146.6 Å²	146.6	87%	0.874	84%	0.839	S	S	*	*			trans	-72.8	122.8	177.6	-59.7	0	0	0	0	111.7
37	P	32.4	Very low	31.1	Very low	120 Å²	120	145.1 Å²	145.1	78%	0.779	84%	0.835	S	S	*	*			trans	-109.3	107.2	179.5	34.6	-22	0	0	0	112.2	T35	T35-P37 WeakPolarHBondContact O-CD 3.35Å
38	Q	27.7	Very low	33.4	Very low	195 Å²	195	137.9 Å²	137.9	91%	0.911	81%	0.813	S	S	*	*			trans	-145.5	132.4	162.1	-70.2	-175.2	-12.2	0	0	107.3
39	C	28.2	Very low	35.8	Very low	117 Å²	117	134 Å²	134	79%	0.791	80%	0.798	S	S	*	*			cis	-152.4	127.2	-7.7	-152.3	0	0	0	0	108.5
40	L	35.2	Very low	38.7	Very low	182 Å²	182	134.9 Å²	134.9	95%	0.953	80%	0.795	S	S	*	*			trans	-97.5	96	168.5	-91.1	168.1	0	0	0	108.6
41	A	28.7	Very low	42	Very low	77 Å²	77	132.3 Å²	132.3	64%	0.636	77%	0.765	S	S	*	*			trans	-117.9	122.5	169.5	0	0	0	0	0	108.9	S43	A41-S43 PolarHBondContact O-N 3.11Å
42	V	43.2	Very low	45.3	Very low	153 Å²	153	121.3 Å²	121.3	93%	0.927	73%	0.726	S	S	*	*			trans	-87.6	106.5	178	176.1	0	0	0	0	108.7
43	S	31.4	Very low	48.8	Very low	106 Å²	106	120.5 Å²	120.5	74%	0.741	72%	0.719	S	S	*	*			trans	-161.4	125.1	171.9	58.3	0	0	0	0	112.8	A41	A41-S43 PolarHBondContact O-N 3.11Å
44	G	32.9	Very low	52.3	Low	77 Å²	77	119.8 Å²	119.8	79%	0.794	71%	0.711	S	S	*	*	S	Bend	trans	79.9	162.8	166.4	0	0	0	0	0	116	S46	G44-S46 PolarHBondContact O-N 3.32Å
45	D	43.6	Very low	55.8	Low	167 Å²	167	108.7 Å²	108.7	89%	0.893	67%	0.671	S	S	*	*			trans	-53.7	109.5	175.9	-79.1	-50.6	0	0	0	111.1	Q47	D45-Q47 VanDerWaalsContact C-N 3.34Å; D45-Q47 PolarHBondContact O-N 3.13Å
46	S	46.4	Very low	59.3	Low	110 Å²	110	106.5 Å²	106.5	77%	0.769	65%	0.648	S	S	*	*			trans	-74	89.2	171.9	61.4	0	0	0	0	109.2	G44 L48	G44-S46 PolarHBondContact O-N 3.32Å; S46-L48 PolarHBondContact O-N 3.49Å
47	Q	61.9	Low	62.8	Low	185 Å²	185	100.5 Å²	100.5	86%	0.864	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-52.6	124.5	168	-72.4	-176.9	-22.8	0	0	109.1	D45	D45-Q47 VanDerWaalsContact C-N 3.34Å; D45-Q47 PolarHBondContact O-N 3.13Å
48	L	71.9	Confident	66	Low	78 Å²	78	94.8 Å²	94.8	41%	0.408	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-60.4	136.7	178.3	-66.7	167.3	0	0	0	109.2	S46 R221 R241	S46-L48 PolarHBondContact O-N 3.49Å; L48-R221 HydrophobicContact CD1-CB 4.21Å; L48-R241 VanDerWaalsContact CB-CZ 3.47Å; L48-R241 PolarHBondContact O-NH2 2.72Å
49	P	74.6	Confident	69.4	Low	88 Å²	88	85.5 Å²	85.5	57%	0.571	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-61.4	128.5	-171.6	25.2	-35	0	0	0	111.2	R241	P49-R241 VanDerWaalsContact C-NH2 3.33Å; P49-R241 PolarHBondContact O-NH2 2.84Å
50	P	83.7	Confident	72.7	Confident	116 Å²	116	80.7 Å²	80.7	75%	0.753	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-56.4	149.6	-167.3	23.9	-35.1	0	0	0	112.7
51	V	93.7	Very high	75.7	Confident	20 Å²	20	72.3 Å²	72.3	12%	0.121	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-63.2	145.5	173.6	-60.7	0	0	0	0	110	L219 T222 R241 I244	V51-L219 HydrophobicContact CB-CD1 4.43Å; V51-L219 HydrophobicContact CG1-CD1 4.09Å; V51-T222 HydrophobicContact CG1-CG2 4.02Å; V51-R241 HydrophobicContact CG1-CB 3.97Å; V51-I244 HydrophobicContact CB-CD1 4Å; V51-I244 HydrophobicContact CB-CG1 4.05Å; V51-I244 HydrophobicContact CG1-CD1 4.47Å; V51-I244 HydrophobicContact CG2-CG1 4.11Å
52	P	96	Very high	79	Confident	25 Å²	25	68.7 Å²	68.7	16%	0.162	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-66.3	141	174.1	28.7	-34.6	0	0	0	109.8	Q54 V82 I244	P52-Q54 VanDerWaalsContact C-N 3.25Å; P52-Q54 PolarHBondContact O-N 3.22Å; P52-V82 HydrophobicContact CG-CG2 3.66Å; P52-I244 HydrophobicContact CG-CD1 4.45Å; P52-I244 WeakPolarHBondContact O-CG1 3.22Å; P52-I244 WeakPolarHBondContact O-CG2 3.19Å
53	G	96.1	Very high	81.5	Confident	56 Å²	56	62.1 Å²	62.1	58%	0.577	38%	0.384	S	S	*	.	S	Bend	trans	-68.6	-22.1	-179	0	0	0	0	0	114.4	E245	G53-E245 PolarHBondContact O-N 2.94Å
54	Q	97.3	Very high	84.7	Confident	148 Å²	148	57.2 Å²	57.2	69%	0.692	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.3	149.2	178.6	67.2	-178.6	23	0	0	111	P52 E245	P52-Q54 VanDerWaalsContact C-N 3.25Å; P52-Q54 PolarHBondContact O-N 3.22Å; Q54-E245 CarbonylContact C-O 3.38Å; Q54-E245 WeakPolarHBondContact CA-O 3.39Å; Q54-E245 HydrophobicContact CB-CB 4.4Å
55	A	98	Very high	87.8	Confident	9 Å²	9	54.4 Å²	54.4	7%	0.074	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	148.2	172.4	0	0	0	0	0	109.1	V57 V58 D80 V82 I244 E245 C246	A55-V57 VanDerWaalsContact C-N 3.33Å; A55-V58 HydrophobicContact CB-CG2 4.09Å; A55-D80 CarbonylContact C-O 3.35Å; A55-D80 WeakPolarHBondContact CB-O 3.45Å; A55-V82 HydrophobicContact CB-CB 4.27Å; A55-V82 HydrophobicContact CB-CG2 3.57Å; A55-I244 HydrophobicContact CB-CG2 3.77Å; A55-E245 PolarHBondContact N-O 3.07Å; A55-E245 VanDerWaalsContact O-O 3.09Å; A55-C246 WeakPolarHBondContact O-CA 3.41Å; A55-C246 WeakPolarHBondContact O-CB 3.45Å
56	R	98.2	Very high	90.4	Very high	82 Å²	82	46.5 Å²	46.5	31%	0.309	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-41.7	171.6	-177.2	176.8	179.4	178.8	-0.8	110.8	W78 D80 E247 Y248	R56-W78 HydrophobicContact CG-CE3 4.34Å; R56-W78 HydrophobicContact CG-CZ3 4.36Å; R56-W78 VanDerWaalsContact NH2-CZ2 3.29Å; R56-D80 HydrophobicContact CB-CB 3.99Å; R56-D80 PolarHBondContact N-O 2.91Å; R56-E247 PolarHBondContact O-N 3.48Å; R56-Y248 HydrophobicContact CG-CD2 4.37Å; R56-Y248 PolarHBondContact O-N 3.32Å
57	V	98.6	Very high	92.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	134	-178	57.7	0	0	0	0	111.9	A55 I59 L73 W78 D80 I81 V82 Y248 V250 M415	A55-V57 VanDerWaalsContact C-N 3.33Å; V57-I59 HydrophobicContact CG2-CG1 4.28Å; V57-L73 HydrophobicContact CG1-CD1 4.29Å; V57-L73 HydrophobicContact CG2-CD1 4.33Å; V57-W78 HydrophobicContact CB-CE3 4.44Å; V57-W78 HydrophobicContact CB-CZ3 4.3Å; V57-W78 HydrophobicContact CG1-CE3 4.07Å; V57-W78 HydrophobicContact CG1-CZ3 4.42Å; V57-D80 PolarHBondContact N-O 3.01Å; V57-I81 HydrophobicContact CG1-CB 4Å; V57-I81 HydrophobicContact CG1-CG1 3.67Å; V57-I81 HydrophobicContact CG1-CG2 3.96Å; V57-V82 PolarHBondContact O-N 3Å; V57-Y248 VanDerWaalsContact CA-O 3.31Å; V57-Y248 WeakPolarHBondContact CA-O 3.14Å; V57-V250 HydrophobicContact CG2-CG2 3.93Å; V57-M415 HydrophobicContact CG2-CE 3.87Å
58	V	98.8	Very high	94.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.1	173.5	179.1	0	0	0	0	109.7	A55 V82 L84 V237 I244 C246 Y248 F249 V250	A55-V58 HydrophobicContact CB-CG2 4.09Å; V58-V82 CarbonylContact C-O 3.43Å; V58-V82 WeakPolarHBondContact CA-O 3.49Å; V58-L84 HydrophobicContact CG1-CD1 3.56Å; V58-L84 HydrophobicContact CG1-CG 3.98Å; V58-V237 HydrophobicContact CB-CG2 3.95Å; V58-V237 HydrophobicContact CG1-CB 4.27Å; V58-V237 HydrophobicContact CG1-CG1 4.27Å; V58-V237 HydrophobicContact CG1-CG2 3.95Å; V58-V237 HydrophobicContact CG2-CG2 4.24Å; V58-I244 HydrophobicContact CG2-CB 4.32Å; V58-I244 HydrophobicContact CG2-CG2 3.89Å; V58-C246 HydrophobicContact CG2-CB 3.88Å; V58-Y248 PolarHBondContact N-O 3.19Å; V58-F249 HydrophobicContact CB-CD2 4.18Å; V58-F249 HydrophobicContact CG1-CD2 4.2Å; V58-F249 HydrophobicContact CG1-CE2 4.21Å; V58-F249 CarbonylContact O-C 3.58Å; V58-F249 WeakPolarHBondContact O-CA 3.31Å; V58-F249 WeakPolarHBondContact O-CD2 3.35Å; V58-V250 PolarHBondContact O-N 3.13Å
59	I	98.9	Very high	95.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	120.2	179.1	-57.5	166.1	0	0	0	108.2	V57 V69 A70 L73 I81 V82 L83 L84 V250 C252	V57-I59 HydrophobicContact CG2-CG1 4.28Å; I59-V69 HydrophobicContact CD1-CB 4.42Å; I59-V69 HydrophobicContact CD1-CG1 3.93Å; I59-V69 HydrophobicContact CG1-CG1 4.37Å; I59-A70 HydrophobicContact CD1-CB 3.66Å; I59-L73 HydrophobicContact CD1-CD1 4.25Å; I59-I81 HydrophobicContact CD1-CG2 3.79Å; I59-V82 PolarHBondContact N-O 3.32Å; I59-L83 HydrophobicContact CB-CB 4.49Å; I59-L83 HydrophobicContact CB-CG 4.41Å; I59-L83 HydrophobicContact CG2-CD1 4.31Å; I59-L83 HydrophobicContact CG2-CG 4.38Å; I59-L83 CarbonylContact O-C 3.54Å; I59-L83 WeakPolarHBondContact O-CA 3.4Å; I59-L84 PolarHBondContact O-N 3.22Å; I59-V250 HydrophobicContact CG1-CB 4.2Å; I59-V250 HydrophobicContact CG1-CG2 4.16Å; I59-V250 HydrophobicContact CG2-CB 4.44Å; I59-C252 HydrophobicContact CG2-CB 4.38Å
60	C	98.4	Very high	97.1	Very high	15 Å²	15	24.5 Å²	24.5	10%	0.101	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.9	177.7	-176.3	0	0	0	0	111.1	V224 F249 V250 C252 A253 L260	C60-V224 HydrophobicContact CB-CG2 4.09Å; C60-F249 HydrophobicContact CB-CE1 4.49Å; C60-F249 HydrophobicContact CB-CE2 3.78Å; C60-F249 HydrophobicContact CB-CZ 3.48Å; C60-F249 VanDerWaalsContact CB-CZ 3.48Å; C60-V250 PolarHBondContact N-O 3.32Å; C60-C252 CarbonylContact O-C 3.33Å; C60-C252 WeakPolarHBondContact O-CA 3.3Å; C60-C252 WeakPolarHBondContact O-CB 3.1Å; C60-C252 PolarHBondContact O-N 2.8Å; C60-A253 PolarHBondContact O-N 2.63Å; C60-A253 VanDerWaalsContact O-N 3.12Å; C60-L260 HydrophobicContact CB-CD2 4.14Å
61	G	97.6	Very high	97.8	Very high	7 Å²	7	19 Å²	19	7%	0.072	11%	0.114	C	C	.	.			trans	116.9	113.6	176.5	0	0	0	0	0	113.1	G63 G66 L84	G61-G63 VanDerWaalsContact C-N 3.32Å; G61-G63 PolarHBondContact O-N 2.79Å; G61-G66 WeakPolarHBondContact O-CA 3.43Å; G61-L84 PolarHBondContact N-O 3.31Å
62	G	97.1	Very high	98	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.11	C	C	.	.			trans	-90.9	21	179	0	0	0	0	0	114.9	E85 G90 N204	G62-E85 VanDerWaalsContact CA-OE2 3.31Å; G62-E85 WeakPolarHBondContact CA-OE2 3.48Å; G62-E85 PolarHBondContact N-OE2 2.9Å; G62-G90 PolarHBondContact O-N 2.98Å; G62-N204 PolarHBondContact O-ND2 3.02Å; G62-N204 VanDerWaalsContact O-ND2 3.1Å
63	G	96.8	Very high	98.2	Very high	15 Å²	15	17.2 Å²	17.2	16%	0.155	10%	0.102	C	C	.	.	S	Bend	trans	-77.1	173.8	164.9	0	0	0	0	0	112.2	G61 V65 G66 T67 N204	G61-G63 VanDerWaalsContact C-N 3.32Å; G61-G63 PolarHBondContact O-N 2.79Å; G63-V65 PolarHBondContact O-N 3.03Å; G63-G66 PolarHBondContact O-N 2.65Å; G63-T67 PolarHBondContact O-N 2.71Å; G63-T67 VanDerWaalsContact O-N 3.13Å; G63-T67 PolarHBondContact O-OG1 3.23Å; G63-N204 PolarHBondContact O-OD1 2.85Å
64	I	97.4	Very high	98.3	Very high	4 Å²	4	15 Å²	15	2%	0.021	8%	0.078	C	C	.	.	H	α-helix	trans	-55	-25.7	-173.5	-165.6	174.6	0	0	0	114.5	T67 S68 T94 Y121 V203 N204 L207 L401 A404	I64-T67 WeakPolarHBondContact CA-OG1 3.37Å; I64-T67 PolarHBondContact O-OG1 3.29Å; I64-S68 WeakPolarHBondContact O-CB 3.35Å; I64-S68 PolarHBondContact O-N 3.23Å; I64-S68 VanDerWaalsContact O-N 3.15Å; I64-T94 HydrophobicContact CB-CG2 3.8Å; I64-T94 HydrophobicContact CG2-CG2 4.05Å; I64-T94 PolarHBondContact N-OG1 2.83Å; I64-Y121 HydrophobicContact CD1-CE2 4.47Å; I64-V203 HydrophobicContact CD1-CB 4.28Å; I64-V203 HydrophobicContact CD1-CG1 3.67Å; I64-V203 HydrophobicContact CG1-CG1 4.35Å; I64-N204 WeakPolarHBondContact CA-OD1 3.34Å; I64-N204 HydrophobicContact CB-CB 4.34Å; I64-N204 PolarHBondContact N-OD1 2.81Å; I64-N204 VanDerWaalsContact N-OD1 3.09Å; I64-L207 HydrophobicContact CG1-CD1 3.86Å; I64-L401 HydrophobicContact CD1-CD1 3.5Å; I64-L401 VanDerWaalsContact CD1-CD1 3.5Å; I64-A404 HydrophobicContact CB-CB 4.31Å; I64-A404 HydrophobicContact CD1-CB 4.25Å; I64-A404 HydrophobicContact CG1-CB 3.86Å; I64-A404 HydrophobicContact CG2-CB 3.86Å
65	V	98.3	Very high	98.3	Very high	18 Å²	18	12.9 Å²	12.9	11%	0.109	7%	0.067	C	C	.	.	H	α-helix	trans	-72.3	-51.2	177.9	-177.4	0	0	0	0	111.3	G63 S68 V69 C252 L393 M396 A404	G63-V65 PolarHBondContact O-N 3.03Å; V65-S68 WeakPolarHBondContact O-CB 3.34Å; V65-S68 PolarHBondContact O-N 2.76Å; V65-V69 WeakPolarHBondContact O-CG2 3.19Å; V65-V69 PolarHBondContact O-N 3.14Å; V65-C252 HydrophobicContact CG1-CB 4.27Å; V65-L393 HydrophobicContact CG1-CB 3.92Å; V65-L393 HydrophobicContact CG1-CD2 3.57Å; V65-L393 HydrophobicContact CG1-CG 3.5Å; V65-L393 VanDerWaalsContact CG1-CG 3.5Å; V65-L393 WeakPolarHBondContact CG1-O 3.34Å; V65-M396 HydrophobicContact CB-CE 4.48Å; V65-M396 HydrophobicContact CG1-CE 3.76Å; V65-M396 HydrophobicContact CG2-CE 3.81Å; V65-M396 HydrophobicContact CG2-CG 4.08Å; V65-A404 HydrophobicContact CG2-CB 4.23Å
66	G	98.4	Very high	98.3	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-70.5	-37.9	-178.8	0	0	0	0	0	112.8	G61 G63 S68 V69 A70	G61-G66 WeakPolarHBondContact O-CA 3.43Å; G63-G66 PolarHBondContact O-N 2.65Å; G66-S68 VanDerWaalsContact C-N 3.3Å; G66-S68 PolarHBondContact O-N 2.83Å; G66-V69 PolarHBondContact O-N 3.19Å; G66-A70 WeakPolarHBondContact O-CB 3.17Å; G66-A70 PolarHBondContact O-N 2.72Å
67	T	98.6	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.2	-34.6	173.1	57	0	0	0	0	112	G63 I64 Y71 L83 N204 A208	G63-T67 PolarHBondContact O-N 2.71Å; G63-T67 VanDerWaalsContact O-N 3.13Å; G63-T67 PolarHBondContact O-OG1 3.23Å; I64-T67 WeakPolarHBondContact CA-OG1 3.37Å; I64-T67 PolarHBondContact O-OG1 3.29Å; T67-Y71 WeakPolarHBondContact O-CB 3.3Å; T67-Y71 PolarHBondContact O-N 2.87Å; T67-L83 HydrophobicContact CG2-CD1 4.08Å; T67-N204 VanDerWaalsContact CG2-OD1 3.24Å; T67-N204 WeakPolarHBondContact CG2-OD1 3.33Å; T67-N204 PolarHBondContact OG1-OD1 3Å; T67-A208 HydrophobicContact CG2-CB 4.06Å
68	S	98.8	Very high	98.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.6	-43.5	171.4	-176	0	0	0	0	112.7	I64 V65 G66 Y71 H72 A404	I64-S68 WeakPolarHBondContact O-CB 3.35Å; I64-S68 PolarHBondContact O-N 3.23Å; I64-S68 VanDerWaalsContact O-N 3.15Å; V65-S68 WeakPolarHBondContact O-CB 3.34Å; V65-S68 PolarHBondContact O-N 2.76Å; G66-S68 VanDerWaalsContact C-N 3.3Å; G66-S68 PolarHBondContact O-N 2.83Å; S68-Y71 PolarHBondContact O-N 3.15Å; S68-H72 PolarHBondContact O-N 2.88Å; S68-H72 PolarHBondContact O-ND1 2.67Å; S68-H72 PolarHBondContact OG-CE1 2.77Å; S68-H72 PolarHBondContact OG-ND1 3.29Å; S68-A404 VanDerWaalsContact CB-O 3.24Å; S68-A404 WeakPolarHBondContact CB-O 3.48Å; S68-A404 PolarHBondContact OG-O 3.15Å
69	V	98.8	Very high	98.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-46	175	172.8	0	0	0	0	110.6	I59 V65 G66 Y71 H72 L73 V250 L393 L411	I59-V69 HydrophobicContact CD1-CB 4.42Å; I59-V69 HydrophobicContact CD1-CG1 3.93Å; I59-V69 HydrophobicContact CG1-CG1 4.37Å; V65-V69 WeakPolarHBondContact O-CG2 3.19Å; V65-V69 PolarHBondContact O-N 3.14Å; G66-V69 PolarHBondContact O-N 3.19Å; V69-Y71 PolarHBondContact O-N 2.87Å; V69-H72 PolarHBondContact O-N 3.16Å; V69-L73 HydrophobicContact CG1-CD1 3.72Å; V69-L73 HydrophobicContact CG1-CG 4.28Å; V69-L73 WeakPolarHBondContact O-CB 3.27Å; V69-L73 WeakPolarHBondContact O-CG 3.14Å; V69-L73 PolarHBondContact O-N 2.75Å; V69-V250 HydrophobicContact CG1-CG1 4.36Å; V69-V250 HydrophobicContact CG1-CG2 4.44Å; V69-L393 HydrophobicContact CG2-CD2 3.71Å; V69-L411 HydrophobicContact CG2-CD2 4.04Å
70	A	98.8	Very high	98.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-46.9	178.1	0	0	0	0	0	112.5	I59 G66 H72 A74 I81 L83 A211 V216	I59-A70 HydrophobicContact CD1-CB 3.66Å; G66-A70 WeakPolarHBondContact O-CB 3.17Å; G66-A70 PolarHBondContact O-N 2.72Å; A70-H72 PolarHBondContact O-N 2.85Å; A70-A74 WeakPolarHBondContact O-CB 3.43Å; A70-A74 PolarHBondContact O-N 2.67Å; A70-A74 VanDerWaalsContact O-N 3.07Å; A70-I81 HydrophobicContact CB-CG2 4.49Å; A70-L83 HydrophobicContact CB-CD1 4.16Å; A70-A211 HydrophobicContact CB-CB 4.2Å; A70-V216 HydrophobicContact CB-CG1 4.09Å; A70-V216 HydrophobicContact CB-CG2 4.47Å
71	Y	98.8	Very high	98.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.8	-47.6	175.5	168.5	-105.9	0	0	0	112.1	T67 S68 V69 K75 L120 E127 L207 A210	T67-Y71 WeakPolarHBondContact O-CB 3.3Å; T67-Y71 PolarHBondContact O-N 2.87Å; S68-Y71 PolarHBondContact O-N 3.15Å; V69-Y71 PolarHBondContact O-N 2.87Å; Y71-K75 HydrophobicContact CE1-CD 4.01Å; Y71-K75 HydrophobicContact CE2-CD 4.31Å; Y71-K75 WeakPolarHBondContact O-CB 3.33Å; Y71-K75 PolarHBondContact O-N 2.69Å; Y71-K75 PolarHBondContact OH-NZ 3.43Å; Y71-L120 HydrophobicContact CE1-CD1 3.74Å; Y71-L120 HydrophobicContact CE1-CD2 4.18Å; Y71-E127 WeakPolarHBondContact CE2-OE1 3.3Å; Y71-E127 PolarHBondContact OH-OE2 3.29Å; Y71-L207 HydrophobicContact CD1-CD2 3.91Å; Y71-L207 HydrophobicContact CE1-CD2 4.49Å; Y71-L207 HydrophobicContact CG-CD2 4.02Å; Y71-A210 HydrophobicContact CD2-CB 3.43Å; Y71-A210 VanDerWaalsContact CD2-CB 3.43Å; Y71-A210 HydrophobicContact CE2-CB 3.54Å
72	H	98.8	Very high	98.2	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.037	14%	0.135	C	C	.	.	H	α-helix	trans	-72.3	-38	-177.2	-69.9	99.6	0	0	0	112.9	S68 V69 A70 K75 L76 Y116 G405 K409 A412	S68-H72 PolarHBondContact O-N 2.88Å; S68-H72 PolarHBondContact O-ND1 2.67Å; S68-H72 PolarHBondContact OG-CE1 2.77Å; S68-H72 PolarHBondContact OG-ND1 3.29Å; V69-H72 PolarHBondContact O-N 3.16Å; A70-H72 PolarHBondContact O-N 2.85Å; H72-K75 PolarHBondContact O-N 2.8Å; H72-L76 WeakPolarHBondContact O-CB 3.48Å; H72-L76 VanDerWaalsContact O-CG 3.27Å; H72-L76 WeakPolarHBondContact O-CG 3.36Å; H72-L76 PolarHBondContact O-N 2.84Å; H72-Y116 AromaticContact NE2-CE1 3.47Å; H72-Y116 WeakPolarHBondContact NE2-CE1 3.4Å; H72-Y116 AromaticContact NE2-CZ 3.75Å; H72-Y116 PolarHBondContact NE2-OH 3.26Å; H72-Y116 VanDerWaalsContact NE2-OH 3.15Å; H72-G405 PolarHBondContact CE1-O 3.3Å; H72-K409 PolarHBondContact ND1-N 2.82Å; H72-A412 HydrophobicContact CB-CB 3.52Å
73	L	98.8	Very high	98.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-45.8	174.4	-75.6	171.9	0	0	0	111.4	V57 I59 V69 K75 L76 G77 W78 I81 A412 M415	V57-L73 HydrophobicContact CG1-CD1 4.29Å; V57-L73 HydrophobicContact CG2-CD1 4.33Å; I59-L73 HydrophobicContact CD1-CD1 4.25Å; V69-L73 HydrophobicContact CG1-CD1 3.72Å; V69-L73 HydrophobicContact CG1-CG 4.28Å; V69-L73 WeakPolarHBondContact O-CB 3.27Å; V69-L73 WeakPolarHBondContact O-CG 3.14Å; V69-L73 PolarHBondContact O-N 2.75Å; L73-K75 VanDerWaalsContact C-N 3.33Å; L73-K75 PolarHBondContact O-N 2.75Å; L73-L76 CarbonylContact O-C 3.48Å; L73-L76 PolarHBondContact O-N 3.42Å; L73-G77 PolarHBondContact O-N 3.02Å; L73-W78 HydrophobicContact CB-CB 4.39Å; L73-W78 HydrophobicContact CD2-CD2 4.07Å; L73-W78 HydrophobicContact CD2-CE3 4.06Å; L73-W78 HydrophobicContact CD2-CG 4.43Å; L73-W78 HydrophobicContact CD2-CZ3 4.5Å; L73-W78 WeakPolarHBondContact O-CB 3.33Å; L73-W78 PolarHBondContact O-N 3.47Å; L73-I81 HydrophobicContact CB-CD1 3.67Å; L73-A412 HydrophobicContact CD2-CB 3.83Å; L73-A412 HydrophobicContact CG-CB 3.85Å; L73-M415 HydrophobicContact CD1-CE 4.4Å; L73-M415 HydrophobicContact CD1-SD 4.28Å; L73-M415 HydrophobicContact CD2-CB 4.13Å; L73-M415 HydrophobicContact CD2-SD 4.4Å
74	A	98.4	Very high	98.3	Very high	8 Å²	8	21.7 Å²	21.7	7%	0.066	13%	0.128	C	C	.	.	H	α-helix	trans	-61.3	-42.9	175.9	0	0	0	0	0	111.6	A70 L76 G77 I81 Q214 V216	A70-A74 WeakPolarHBondContact O-CB 3.43Å; A70-A74 PolarHBondContact O-N 2.67Å; A70-A74 VanDerWaalsContact O-N 3.07Å; A74-L76 PolarHBondContact O-N 3.24Å; A74-G77 WeakPolarHBondContact O-CA 3.46Å; A74-G77 PolarHBondContact O-N 2.73Å; A74-I81 HydrophobicContact CB-CD1 3.97Å; A74-Q214 HydrophobicContact CB-CB 3.76Å; A74-Q214 PolarHBondContact O-OE1 2.98Å; A74-V216 HydrophobicContact CB-CG2 3.79Å
75	K	97.8	Very high	98.3	Very high	104 Å²	104	22.1 Å²	22.1	45%	0.452	13%	0.13	S	C	.	.	H	α-helix	trans	-66.2	-23.7	178	-170.4	168.4	-173	167.4	0	113.5	Y71 H72 L73 G77 Q214	Y71-K75 HydrophobicContact CE1-CD 4.01Å; Y71-K75 HydrophobicContact CE2-CD 4.31Å; Y71-K75 WeakPolarHBondContact O-CB 3.33Å; Y71-K75 PolarHBondContact O-N 2.69Å; Y71-K75 PolarHBondContact OH-NZ 3.43Å; H72-K75 PolarHBondContact O-N 2.8Å; L73-K75 VanDerWaalsContact C-N 3.33Å; L73-K75 PolarHBondContact O-N 2.75Å; K75-G77 VanDerWaalsContact C-N 3.29Å; K75-Q214 VanDerWaalsContact CA-OE1 3.25Å
76	L	98.1	Very high	98.1	Very high	57 Å²	57	23.7 Å²	23.7	30%	0.298	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	5.3	170.4	-67.8	-179.9	0	0	0	113.3	H72 L73 A74 A412 E413 T416 Y417	H72-L76 WeakPolarHBondContact O-CB 3.48Å; H72-L76 VanDerWaalsContact O-CG 3.27Å; H72-L76 WeakPolarHBondContact O-CG 3.36Å; H72-L76 PolarHBondContact O-N 2.84Å; L73-L76 CarbonylContact O-C 3.48Å; L73-L76 PolarHBondContact O-N 3.42Å; A74-L76 PolarHBondContact O-N 3.24Å; L76-A412 HydrophobicContact CD1-CB 3.94Å; L76-E413 HydrophobicContact CD1-CG 4.19Å; L76-T416 HydrophobicContact CB-CG2 4.25Å; L76-T416 HydrophobicContact CD1-CG2 4.41Å; L76-Y417 WeakPolarHBondContact CD2-OH 3.26Å
77	G	97.8	Very high	97.8	Very high	57 Å²	57	24 Å²	24	59%	0.588	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.5	14	174.6	0	0	0	0	0	115.1	L73 A74 K75	L73-G77 PolarHBondContact O-N 3.02Å; A74-G77 WeakPolarHBondContact O-CA 3.46Å; A74-G77 PolarHBondContact O-N 2.73Å; K75-G77 VanDerWaalsContact C-N 3.29Å
78	W	98	Very high	97.5	Very high	15 Å²	15	30 Å²	30	6%	0.057	16%	0.162	C	C	.	.			trans	-75.4	130.9	170.6	-79.4	36.9	0	0	0	110.5	R56 V57 L73 I81 Y248 M415 T416	R56-W78 HydrophobicContact CG-CE3 4.34Å; R56-W78 HydrophobicContact CG-CZ3 4.36Å; R56-W78 VanDerWaalsContact NH2-CZ2 3.29Å; V57-W78 HydrophobicContact CB-CE3 4.44Å; V57-W78 HydrophobicContact CB-CZ3 4.3Å; V57-W78 HydrophobicContact CG1-CE3 4.07Å; V57-W78 HydrophobicContact CG1-CZ3 4.42Å; L73-W78 HydrophobicContact CB-CB 4.39Å; L73-W78 HydrophobicContact CD2-CD2 4.07Å; L73-W78 HydrophobicContact CD2-CE3 4.06Å; L73-W78 HydrophobicContact CD2-CG 4.43Å; L73-W78 HydrophobicContact CD2-CZ3 4.5Å; L73-W78 WeakPolarHBondContact O-CB 3.33Å; L73-W78 PolarHBondContact O-N 3.47Å; W78-I81 HydrophobicContact CB-CD1 4.05Å; W78-I81 HydrophobicContact CB-CG1 4.41Å; W78-I81 VanDerWaalsContact O-CD1 3.26Å; W78-I81 WeakPolarHBondContact O-CD1 3.37Å; W78-Y248 HydrophobicContact CH2-CD1 4.48Å; W78-Y248 AromaticContact CH2-CD2 3.83Å; W78-Y248 HydrophobicContact CH2-CD2 3.83Å; W78-Y248 HydrophobicContact CH2-CE1 4.4Å; W78-Y248 AromaticContact CH2-CE2 3.77Å; W78-Y248 HydrophobicContact CH2-CE2 3.77Å; W78-Y248 HydrophobicContact CH2-CG 4.23Å; W78-Y248 AromaticContact CZ3-CD2 3.73Å; W78-Y248 HydrophobicContact CZ3-CD2 3.73Å; W78-Y248 HydrophobicContact CZ3-CE2 4.1Å; W78-Y248 HydrophobicContact CZ3-CG 4.14Å; W78-M415 HydrophobicContact CH2-CB 4.14Å; W78-M415 HydrophobicContact CH2-CE 4.49Å; W78-M415 HydrophobicContact CZ2-CB 4.44Å; W78-M415 VanDerWaalsContact CZ2-O 3.29Å; W78-M415 WeakPolarHBondContact CZ2-O 3.13Å; W78-M415 HydrophobicContact CZ3-CE 4.2Å; W78-T416 PolarHBondContact NE1-OG1 2.96Å
79	T	96.9	Very high	97.2	Very high	87 Å²	87	33.1 Å²	33.1	53%	0.534	18%	0.178	S	C	.	.			trans	-99.2	176.9	171.2	58.1	0	0	0	0	110.8	I81	T79-I81 VanDerWaalsContact C-N 3.29Å; T79-I81 PolarHBondContact O-N 2.83Å
80	D	97.7	Very high	96.9	Very high	92 Å²	92	33.4 Å²	33.4	49%	0.492	18%	0.181	S	C	.	.	S	Bend	trans	59.4	41.3	171.5	-47.4	-68.1	0	0	0	112.6	A55 R56 V57	A55-D80 CarbonylContact C-O 3.35Å; A55-D80 WeakPolarHBondContact CB-O 3.45Å; R56-D80 HydrophobicContact CB-CB 3.99Å; R56-D80 PolarHBondContact N-O 2.91Å; V57-D80 PolarHBondContact N-O 3.01Å
81	I	98.8	Very high	96.4	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.015	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.1	178.8	-53.8	175	0	0	0	108.6	V57 I59 A70 L73 A74 W78 T79 V216 Q217	V57-I81 HydrophobicContact CG1-CB 4Å; V57-I81 HydrophobicContact CG1-CG1 3.67Å; V57-I81 HydrophobicContact CG1-CG2 3.96Å; I59-I81 HydrophobicContact CD1-CG2 3.79Å; A70-I81 HydrophobicContact CB-CG2 4.49Å; L73-I81 HydrophobicContact CB-CD1 3.67Å; A74-I81 HydrophobicContact CB-CD1 3.97Å; W78-I81 HydrophobicContact CB-CD1 4.05Å; W78-I81 HydrophobicContact CB-CG1 4.41Å; W78-I81 VanDerWaalsContact O-CD1 3.26Å; W78-I81 WeakPolarHBondContact O-CD1 3.37Å; T79-I81 VanDerWaalsContact C-N 3.29Å; T79-I81 PolarHBondContact O-N 2.83Å; I81-V216 HydrophobicContact CB-CG1 4.25Å; I81-V216 HydrophobicContact CB-CG2 4.01Å; I81-V216 HydrophobicContact CD1-CG2 4.06Å; I81-V216 HydrophobicContact CG2-CB 4.5Å; I81-V216 HydrophobicContact CG2-CG1 3.85Å; I81-V216 HydrophobicContact CG2-CG2 4.03Å; I81-Q217 PolarHBondContact O-N 2.92Å
82	V	98.8	Very high	96	Very high	1 Å²	1	34 Å²	34	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.5	173.5	-179.9	0	0	0	0	109.6	P52 A55 V57 V58 I59 L84 Q217 L219 I244	P52-V82 HydrophobicContact CG-CG2 3.66Å; A55-V82 HydrophobicContact CB-CB 4.27Å; A55-V82 HydrophobicContact CB-CG2 3.57Å; V57-V82 PolarHBondContact O-N 3Å; V58-V82 CarbonylContact C-O 3.43Å; V58-V82 WeakPolarHBondContact CA-O 3.49Å; I59-V82 PolarHBondContact N-O 3.32Å; V82-L84 HydrophobicContact CG1-CD2 3.56Å; V82-L84 HydrophobicContact CG1-CG 4.1Å; V82-Q217 CarbonylContact C-O 3.55Å; V82-Q217 WeakPolarHBondContact CA-O 3.4Å; V82-Q217 HydrophobicContact CG2-CB 4.31Å; V82-L219 HydrophobicContact CG1-CD1 4.17Å; V82-I244 HydrophobicContact CG1-CD1 4.17Å
83	L	98.8	Very high	95.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.1	167.9	-172	152.4	0	0	0	109.5	I59 T67 A70 E85 L89 Q217 I218 L219	I59-L83 HydrophobicContact CB-CB 4.49Å; I59-L83 HydrophobicContact CB-CG 4.41Å; I59-L83 HydrophobicContact CG2-CD1 4.31Å; I59-L83 HydrophobicContact CG2-CG 4.38Å; I59-L83 CarbonylContact O-C 3.54Å; I59-L83 WeakPolarHBondContact O-CA 3.4Å; T67-L83 HydrophobicContact CG2-CD1 4.08Å; A70-L83 HydrophobicContact CB-CD1 4.16Å; L83-E85 HydrophobicContact CD2-CB 4.42Å; L83-L89 HydrophobicContact CD2-CD2 4.16Å; L83-Q217 PolarHBondContact N-O 2.91Å; L83-I218 HydrophobicContact CB-CG1 4.32Å; L83-I218 HydrophobicContact CD2-CG2 4Å; L83-L219 PolarHBondContact O-N 2.92Å
84	L	98.4	Very high	95.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.8	178.2	-56.6	-179.2	0	0	0	110.4	V58 I59 G61 V82 L219 T222 V224 V237 T239 I244	V58-L84 HydrophobicContact CG1-CD1 3.56Å; V58-L84 HydrophobicContact CG1-CG 3.98Å; I59-L84 PolarHBondContact O-N 3.22Å; G61-L84 PolarHBondContact N-O 3.31Å; V82-L84 HydrophobicContact CG1-CD2 3.56Å; V82-L84 HydrophobicContact CG1-CG 4.1Å; L84-L219 HydrophobicContact CD2-CB 3.97Å; L84-L219 HydrophobicContact CD2-CD1 3.98Å; L84-L219 HydrophobicContact CD2-CG 4.39Å; L84-T222 HydrophobicContact CD2-CG2 3.89Å; L84-V224 HydrophobicContact CB-CG2 4.19Å; L84-V224 HydrophobicContact CD1-CG2 3.55Å; L84-V237 HydrophobicContact CD1-CG1 4.4Å; L84-T239 HydrophobicContact CD1-CG2 3.67Å; L84-I244 HydrophobicContact CD1-CD1 4.19Å; L84-I244 HydrophobicContact CD2-CD1 4.21Å
85	E	96.8	Very high	94.9	Very high	14 Å²	14	39.5 Å²	39.5	7%	0.065	21%	0.209	C	C	.	.			trans	-130.9	127.5	175.3	170.6	50.8	-111.7	0	0	109.6	G62 L83 G87 R88 L89 L219 D220 R221 T222	G62-E85 VanDerWaalsContact CA-OE2 3.31Å; G62-E85 WeakPolarHBondContact CA-OE2 3.48Å; G62-E85 PolarHBondContact N-OE2 2.9Å; L83-E85 HydrophobicContact CD2-CB 4.42Å; E85-G87 PolarHBondContact O-N 2.9Å; E85-G87 PolarHBondContact OE1-N 2.91Å; E85-R88 WeakPolarHBondContact CG-O 3.42Å; E85-L89 HydrophobicContact CB-CD2 4.19Å; E85-L89 HydrophobicContact CG-CD2 4.4Å; E85-L219 PolarHBondContact N-O 3.32Å; E85-D220 CarbonylContact O-C 3.46Å; E85-D220 VanDerWaalsContact O-C 3.25Å; E85-D220 WeakPolarHBondContact O-CA 3.42Å; E85-R221 PolarHBondContact O-N 2.93Å; E85-T222 CarbonylContact C-O 3.49Å; E85-T222 PolarHBondContact O-N 3.02Å
86	Q	93.8	Very high	94.5	Very high	51 Å²	51	35.3 Å²	35.3	24%	0.238	19%	0.192	C	C	.	.	S	Bend	trans	-72.2	-28.1	-175.4	68.8	-175.7	5.3	0	0	113.3	A223 L332	Q86-A223 HydrophobicContact CB-CB 3.88Å; Q86-L332 WeakPolarHBondContact CG-O 3.31Å; Q86-L332 PolarHBondContact NE2-O 2.96Å
87	G	92.4	Very high	94.2	Very high	7 Å²	7	34.1 Å²	34.1	7%	0.072	19%	0.188	C	C	.	.	S	Bend	trans	-112	-128.9	175.2	0	0	0	0	0	111.2	E85 D220 R221	E85-G87 PolarHBondContact O-N 2.9Å; E85-G87 PolarHBondContact OE1-N 2.91Å; G87-D220 WeakPolarHBondContact O-CB 3.35Å; G87-R221 PolarHBondContact O-N 2.62Å
88	R	92.4	Very high	93.9	Very high	125 Å²	125	32.1 Å²	32.1	47%	0.472	17%	0.166	S	C	.	.	S	Bend	trans	-99.1	155.9	169.1	-65.3	169.3	-69.9	170.1	-2	111.5	E85 G90 A91 E333	E85-R88 WeakPolarHBondContact CG-O 3.42Å; R88-G90 PolarHBondContact O-N 3.36Å; R88-A91 HydrophobicContact CB-CB 4.3Å; R88-A91 WeakPolarHBondContact O-CB 3.48Å; R88-A91 PolarHBondContact O-N 3.3Å; R88-E333 WeakPolarHBondContact CB-OE1 3.5Å; R88-E333 WeakPolarHBondContact CG-OE1 3.29Å; R88-E333 IonicContact CZ-OE1 2.74Å; R88-E333 IonicContact CZ-OE2 3.6Å; R88-E333 PolarHBondContact N-OE1 3.48Å; R88-E333 IonicContact NE-OE1 2.66Å; R88-E333 PolarHBondContact NE-OE1 3.12Å; R88-E333 IonicContact NE-OE2 2.69Å; R88-E333 PolarHBondContact NE-OE2 3.34Å; R88-E333 IonicContact NH2-OE1 3.3Å; R88-E333 IonicContact NH2-OE2 2.83Å; R88-E333 PolarHBondContact NH2-OE2 3.12Å
89	L	92.8	Very high	93.7	Very high	66 Å²	66	31.6 Å²	31.6	35%	0.346	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	130.1	173.8	-64.5	178.4	0	0	0	111.7	L83 E85 A91 A208 I218	L83-L89 HydrophobicContact CD2-CD2 4.16Å; E85-L89 HydrophobicContact CB-CD2 4.19Å; E85-L89 HydrophobicContact CG-CD2 4.4Å; L89-A91 VanDerWaalsContact C-N 3.26Å; L89-A91 PolarHBondContact O-N 2.99Å; L89-A208 HydrophobicContact CD1-CB 4.24Å; L89-I218 HydrophobicContact CD1-CG2 3.92Å; L89-I218 HydrophobicContact CD2-CG2 3.69Å; L89-I218 HydrophobicContact CG-CG2 4.32Å
90	G	91.3	Very high	93.7	Very high	5 Å²	5	29 Å²	29	5%	0.052	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	6	-177.6	0	0	0	0	0	115.7	G62 R88 G92 R95 N204	G62-G90 PolarHBondContact O-N 2.98Å; R88-G90 PolarHBondContact O-N 3.36Å; G90-G92 PolarHBondContact O-N 3.39Å; G90-R95 WeakPolarHBondContact O-CB 3.37Å; G90-R95 PolarHBondContact O-N 3.37Å; G90-N204 WeakPolarHBondContact CA-ND2 3.11Å; G90-N204 PolarHBondContact N-ND2 2.85Å
91	A	89.9	Confident	93.6	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.033	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-12	-176.7	0	0	0	0	0	115.3	R88 L89 E333 I334	R88-A91 HydrophobicContact CB-CB 4.3Å; R88-A91 WeakPolarHBondContact O-CB 3.48Å; R88-A91 PolarHBondContact O-N 3.3Å; L89-A91 VanDerWaalsContact C-N 3.26Å; L89-A91 PolarHBondContact O-N 2.99Å; A91-E333 HydrophobicContact CB-CB 4.05Å; A91-E333 HydrophobicContact CB-CG 3.64Å; A91-I334 PolarHBondContact O-N 2.8Å
92	G	90.1	Very high	93.4	Very high	9 Å²	9	25.2 Å²	25.2	9%	0.093	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-158.9	168.2	0	0	0	0	0	113.5	G90 T94 R95	G90-G92 PolarHBondContact O-N 3.39Å; G92-T94 PolarHBondContact O-N 3.4Å; G92-R95 PolarHBondContact O-N 3.37Å
93	T	90.8	Very high	93.2	Very high	20 Å²	20	25.3 Å²	25.3	12%	0.123	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-59.9	-22.2	-175.8	-44.6	0	0	0	0	113.3	R95 L96 C97 I334 P370 E371	T93-R95 VanDerWaalsContact C-N 3.26Å; T93-R95 PolarHBondContact O-N 2.99Å; T93-R95 VanDerWaalsContact O-N 3.14Å; T93-L96 WeakPolarHBondContact O-CA 3.31Å; T93-L96 PolarHBondContact O-N 2.76Å; T93-C97 PolarHBondContact O-N 3Å; T93-C97 PolarHBondContact O-SG 3.05Å; T93-C97 VanDerWaalsContact O-SG 3.36Å; T93-I334 VanDerWaalsContact N-CD1 3.32Å; T93-I334 VanDerWaalsContact OG1-CD1 3.23Å; T93-I334 WeakPolarHBondContact OG1-CD1 3.48Å; T93-P370 WeakPolarHBondContact CG2-O 3.29Å; T93-P370 PolarHBondContact OG1-O 2.96Å; T93-E371 HydrophobicContact CG2-CB 4.34Å
94	T	92.8	Very high	92.9	Very high	14 Å²	14	26.1 Å²	26.1	9%	0.086	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-46.9	-43.3	177.4	-61	0	0	0	0	113.7	I64 G92 L96 C97 S200 N204	I64-T94 HydrophobicContact CB-CG2 3.8Å; I64-T94 HydrophobicContact CG2-CG2 4.05Å; I64-T94 PolarHBondContact N-OG1 2.83Å; G92-T94 PolarHBondContact O-N 3.4Å; T94-L96 PolarHBondContact O-N 2.99Å; T94-C97 PolarHBondContact O-N 2.85Å; T94-S200 WeakPolarHBondContact O-CB 3.34Å; T94-N204 HydrophobicContact CG2-CB 3.97Å
95	R	89.8	Confident	92.7	Very high	97 Å²	97	27.4 Å²	27.4	37%	0.366	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-74.5	-11.8	-179	73.5	-168.5	-176	119.6	0.1	115	G90 G92 T93 P201 I334	G90-R95 WeakPolarHBondContact O-CB 3.37Å; G90-R95 PolarHBondContact O-N 3.37Å; G92-R95 PolarHBondContact O-N 3.37Å; T93-R95 VanDerWaalsContact C-N 3.26Å; T93-R95 PolarHBondContact O-N 2.99Å; T93-R95 VanDerWaalsContact O-N 3.14Å; R95-P201 HydrophobicContact CB-CG 4.35Å; R95-I334 PolarHBondContact NH2-O 3.37Å
96	L	89.3	Confident	92.2	Very high	16 Å²	16	30.5 Å²	30.5	8%	0.084	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-107.5	-2	-178.2	-55.5	176.1	0	0	0	112	T93 T94 A98 Y279 I334 C369	T93-L96 WeakPolarHBondContact O-CA 3.31Å; T93-L96 PolarHBondContact O-N 2.76Å; T94-L96 PolarHBondContact O-N 2.99Å; L96-A98 PolarHBondContact O-N 2.84Å; L96-Y279 VanDerWaalsContact O-CE1 3.24Å; L96-Y279 WeakPolarHBondContact O-CE1 3.43Å; L96-I334 HydrophobicContact CD1-CG2 3.61Å; L96-C369 HydrophobicContact CB-CB 4.19Å; L96-C369 HydrophobicContact CD1-CB 3.48Å; L96-C369 VanDerWaalsContact CD1-CB 3.48Å; L96-C369 HydrophobicContact CG-CB 4.4Å
97	C	90.6	Very high	92	Very high	32 Å²	32	29.6 Å²	29.6	22%	0.216	16%	0.158	C	C	.	.	S	Bend	trans	-65.4	134	175.2	-63.4	0	0	0	0	111.4	T93 T94 G99 S200 L401	T93-C97 PolarHBondContact O-N 3Å; T93-C97 PolarHBondContact O-SG 3.05Å; T93-C97 VanDerWaalsContact O-SG 3.36Å; T94-C97 PolarHBondContact O-N 2.85Å; C97-G99 PolarHBondContact O-N 2.91Å; C97-S200 WeakPolarHBondContact CB-OG 3.32Å; C97-S200 PolarHBondContact O-OG 3.22Å; C97-L401 HydrophobicContact CB-CB 4.41Å
98	A	92.2	Very high	92	Very high	16 Å²	16	32 Å²	32	13%	0.132	17%	0.174	C	C	.	.			trans	-62.1	-0.9	-176.9	0	0	0	0	0	116.5	L96 I100 Y304 R306 L313	L96-A98 PolarHBondContact O-N 2.84Å; A98-I100 VanDerWaalsContact C-N 3.29Å; A98-I100 HydrophobicContact CB-CD1 4.27Å; A98-I100 HydrophobicContact CB-CG1 4.49Å; A98-I100 PolarHBondContact O-N 2.84Å; A98-Y304 HydrophobicContact CB-CE2 3.73Å; A98-R306 WeakPolarHBondContact O-CD 3.43Å; A98-L313 HydrophobicContact CB-CD1 4.3Å; A98-L313 HydrophobicContact CB-CD2 3.73Å
99	G	94.1	Very high	92.1	Very high	4 Å²	4	26.7 Å²	26.7	4%	0.041	16%	0.155	C	C	.	.			trans	83.3	-10	177.7	0	0	0	0	0	115.7	C97 L101 V197 V198 L401	C97-G99 PolarHBondContact O-N 2.91Å; G99-L101 PolarHBondContact O-N 2.83Å; G99-V197 VanDerWaalsContact O-CA 3.32Å; G99-V197 WeakPolarHBondContact O-CA 3.42Å; G99-V198 WeakPolarHBondContact CA-O 3.16Å; G99-V198 PolarHBondContact O-N 3.5Å; G99-L401 WeakPolarHBondContact O-CD2 3.29Å
100	I	96.1	Very high	92.3	Very high	33 Å²	33	24 Å²	24	17%	0.169	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	123.7	-170.7	-60.6	164.2	0	0	0	111.8	A98 V295 Y304	A98-I100 VanDerWaalsContact C-N 3.29Å; A98-I100 HydrophobicContact CB-CD1 4.27Å; A98-I100 HydrophobicContact CB-CG1 4.49Å; A98-I100 PolarHBondContact O-N 2.84Å; I100-V295 HydrophobicContact CD1-CG1 3.71Å; I100-V295 HydrophobicContact CG1-CG1 3.94Å; I100-V295 HydrophobicContact CG1-CG2 4.33Å; I100-V295 HydrophobicContact CG2-CG1 3.98Å; I100-V295 HydrophobicContact CG2-CG2 4.49Å; I100-Y304 HydrophobicContact CD1-CD2 3.4Å; I100-Y304 HydrophobicContact CD1-CE2 3.9Å; I100-Y304 HydrophobicContact CD1-CG 4.08Å
101	L	95.9	Very high	92.5	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.026	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	107.6	169.2	-60.7	175	0	0	0	109.2	G99 Y121 Y134 D195 A196 V198 L401	G99-L101 PolarHBondContact O-N 2.83Å; L101-Y121 HydrophobicContact CD1-CD2 3.93Å; L101-Y121 HydrophobicContact CD2-CD2 4.09Å; L101-Y121 HydrophobicContact CD2-CE2 3.94Å; L101-Y134 HydrophobicContact CD1-CD2 4.49Å; L101-Y134 HydrophobicContact CD1-CE2 4.12Å; L101-D195 WeakPolarHBondContact O-CB 3.47Å; L101-A196 WeakPolarHBondContact CA-O 3.48Å; L101-A196 HydrophobicContact CB-CB 4.43Å; L101-A196 WeakPolarHBondContact CB-O 3.44Å; L101-A196 HydrophobicContact CD1-CB 4.27Å; L101-A196 PolarHBondContact N-O 3.43Å; L101-A196 PolarHBondContact O-N 3.4Å; L101-A196 VanDerWaalsContact O-N 3.09Å; L101-V198 HydrophobicContact CD1-CB 4.34Å; L101-V198 HydrophobicContact CD1-CG1 3.59Å; L101-V198 HydrophobicContact CD1-CG2 3.86Å; L101-V198 HydrophobicContact CD2-CG2 4.22Å; L101-V198 HydrophobicContact CG-CG2 3.97Å; L101-L401 HydrophobicContact CD2-CD2 4.33Å; L101-L401 HydrophobicContact CD2-CG 3.88Å
102	S	94.4	Very high	92.8	Very high	9 Å²	9	28.2 Å²	28.2	6%	0.063	16%	0.157	C	C	.	.			trans	-120	132	170.1	-174.2	0	0	0	0	112.2	A104 K105 D195	S102-A104 VanDerWaalsContact C-N 3.32Å; S102-A104 PolarHBondContact OG-N 3.44Å; S102-K105 WeakPolarHBondContact O-CE 3.4Å; S102-D195 VanDerWaalsContact CA-CG 3.47Å; S102-D195 WeakPolarHBondContact CA-OD1 3.35Å; S102-D195 VanDerWaalsContact CA-OD2 3.3Å; S102-D195 WeakPolarHBondContact CA-OD2 3.22Å; S102-D195 WeakPolarHBondContact CB-OD2 3.4Å; S102-D195 PolarHBondContact OG-OD2 3.39Å
103	M	94.1	Very high	93.2	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.02	15%	0.153	C	C	.	.			trans	-81.2	-13.3	176	-61.9	176.2	-80.1	0	0	113	K105 S111 N115 I164 L192 D194 D195	M103-K105 PolarHBondContact O-N 3.08Å; M103-K105 VanDerWaalsContact O-N 3.12Å; M103-S111 WeakPolarHBondContact O-CB 3.45Å; M103-S111 PolarHBondContact O-OG 3.39Å; M103-N115 HydrophobicContact CG-CB 4.31Å; M103-N115 HydrophobicContact SD-CB 4.02Å; M103-N115 PolarHBondContact SD-OD1 3.36Å; M103-I164 HydrophobicContact CB-CD1 4.22Å; M103-I164 HydrophobicContact CB-CG2 4.1Å; M103-I164 HydrophobicContact CE-CG2 4Å; M103-I164 HydrophobicContact SD-CG1 4.39Å; M103-I164 HydrophobicContact SD-CG2 3.96Å; M103-L192 HydrophobicContact CB-CD2 4.46Å; M103-D194 HydrophobicContact CE-CB 3.74Å; M103-D195 VanDerWaalsContact CE-OD1 3.29Å; M103-D195 WeakPolarHBondContact CE-OD1 3.46Å; M103-D195 PolarHBondContact N-OD1 3.31Å
104	A	93.9	Very high	93.5	Very high	16 Å²	16	27 Å²	27	13%	0.132	15%	0.149	C	C	.	.			trans	-74.3	97.6	-179.9	0	0	0	0	0	111.3	S102 L155 L159 L192	S102-A104 VanDerWaalsContact C-N 3.32Å; S102-A104 PolarHBondContact OG-N 3.44Å; A104-L155 HydrophobicContact CB-CD2 3.94Å; A104-L159 HydrophobicContact CB-CD1 4.16Å; A104-L192 HydrophobicContact CB-CD1 3.71Å; A104-L192 HydrophobicContact CB-CD2 3.98Å
105	K	93.4	Very high	93.7	Very high	29 Å²	29	29.5 Å²	29.5	13%	0.126	16%	0.161	C	C	.	.			trans	-129	151.7	-174.9	-60	-68.2	179.2	-177.8	0	113.2	S102 M103 I107 E110 S111 L155 S399 F403	S102-K105 WeakPolarHBondContact O-CE 3.4Å; M103-K105 PolarHBondContact O-N 3.08Å; M103-K105 VanDerWaalsContact O-N 3.12Å; K105-I107 VanDerWaalsContact C-N 3.3Å; K105-I107 PolarHBondContact O-N 2.87Å; K105-E110 HydrophobicContact CB-CB 3.57Å; K105-E110 HydrophobicContact CG-CB 3.97Å; K105-S111 PolarHBondContact N-OG 3.45Å; K105-L155 WeakPolarHBondContact O-CD1 3.5Å; K105-S399 PolarHBondContact NZ-OG 2.97Å; K105-F403 HydrophobicContact CD-CE1 3.75Å; K105-F403 HydrophobicContact CD-CZ 3.84Å; K105-F403 HydrophobicContact CG-CE1 3.95Å; K105-F403 HydrophobicContact CG-CZ 4.37Å
106	P	86.4	Confident	94.1	Very high	78 Å²	78	28 Å²	28	51%	0.506	16%	0.156	S	C	.	.	S	Bend	trans	-60.2	-30.5	-175.4	-27.5	36.1	0	0	0	115.6	E110 R158	P106-E110 WeakPolarHBondContact CD-OE2 3.49Å; P106-R158 PolarHBondContact O-NH1 2.91Å
107	I	90	Very high	94.5	Very high	32 Å²	32	27.2 Å²	27.2	16%	0.164	15%	0.152	C	C	.	.	S	Bend	trans	-127.2	149.4	179.5	60.7	171.2	0	0	0	112.4	K105 I109 E110 S111 P426 L427	K105-I107 VanDerWaalsContact C-N 3.3Å; K105-I107 PolarHBondContact O-N 2.87Å; I107-I109 VanDerWaalsContact C-N 3.31Å; I107-I109 HydrophobicContact CD1-CG2 3.71Å; I107-I109 HydrophobicContact CG1-CG2 4.09Å; I107-I109 PolarHBondContact O-N 3.44Å; I107-E110 HydrophobicContact CD1-CG 4.07Å; I107-E110 HydrophobicContact CG1-CB 4.14Å; I107-E110 HydrophobicContact CG1-CG 3.65Å; I107-E110 WeakPolarHBondContact CG1-OE2 3.27Å; I107-E110 WeakPolarHBondContact O-CB 3.42Å; I107-E110 PolarHBondContact O-N 2.83Å; I107-E110 VanDerWaalsContact O-N 3.12Å; I107-S111 PolarHBondContact O-N 3.45Å; I107-P426 HydrophobicContact CD1-CB 3.64Å; I107-P426 HydrophobicContact CD1-CG 4.38Å; I107-L427 HydrophobicContact CD1-CD2 4.26Å
108	S	91.6	Very high	94.8	Very high	59 Å²	59	26.1 Å²	26.1	41%	0.413	14%	0.144	S	C	.	.	H	α-helix	trans	-62.5	-31.6	-168.5	-48.3	0	0	0	0	114.7	S111 K112	S108-S111 PolarHBondContact O-N 2.9Å; S108-K112 WeakPolarHBondContact O-CG 3.34Å; S108-K112 PolarHBondContact O-N 3.05Å
109	I	94.6	Very high	95	Very high	12 Å²	12	27.5 Å²	27.5	6%	0.062	15%	0.153	C	C	.	.	H	α-helix	trans	-68.1	-36.7	177.4	-174.5	60.6	0	0	0	111.9	I107 K112 M113 Y410 A422 V424 L427	I107-I109 VanDerWaalsContact C-N 3.31Å; I107-I109 HydrophobicContact CD1-CG2 3.71Å; I107-I109 HydrophobicContact CG1-CG2 4.09Å; I107-I109 PolarHBondContact O-N 3.44Å; I109-K112 PolarHBondContact O-N 3.17Å; I109-M113 WeakPolarHBondContact O-CG 3.1Å; I109-M113 PolarHBondContact O-N 3.3Å; I109-Y410 HydrophobicContact CD1-CD2 4.16Å; I109-Y410 HydrophobicContact CD1-CE2 3.65Å; I109-A422 HydrophobicContact CD1-CB 3.87Å; I109-V424 HydrophobicContact CD1-CG1 4.15Å; I109-V424 HydrophobicContact CG1-CG1 4.26Å; I109-L427 HydrophobicContact CG1-CD1 3.91Å; I109-L427 HydrophobicContact CG2-CD1 4.01Å; I109-L427 HydrophobicContact CG2-CD2 4.42Å; I109-L427 HydrophobicContact CG2-CG 4.13Å
110	E	96.4	Very high	95.2	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.042	15%	0.152	C	C	.	.	H	α-helix	trans	-66.8	-40.4	175.3	-70.7	172	172.3	0	0	111.8	K105 P106 I107 M113 A114 F403 L427	K105-E110 HydrophobicContact CB-CB 3.57Å; K105-E110 HydrophobicContact CG-CB 3.97Å; P106-E110 WeakPolarHBondContact CD-OE2 3.49Å; I107-E110 HydrophobicContact CD1-CG 4.07Å; I107-E110 HydrophobicContact CG1-CB 4.14Å; I107-E110 HydrophobicContact CG1-CG 3.65Å; I107-E110 WeakPolarHBondContact CG1-OE2 3.27Å; I107-E110 WeakPolarHBondContact O-CB 3.42Å; I107-E110 PolarHBondContact O-N 2.83Å; I107-E110 VanDerWaalsContact O-N 3.12Å; E110-M113 HydrophobicContact CB-CE 4.43Å; E110-M113 HydrophobicContact CG-CE 4.06Å; E110-M113 PolarHBondContact O-N 3.13Å; E110-A114 WeakPolarHBondContact O-CB 3.4Å; E110-A114 PolarHBondContact O-N 2.89Å; E110-F403 HydrophobicContact CB-CE1 3.7Å; E110-F403 HydrophobicContact CB-CZ 3.79Å; E110-F403 HydrophobicContact CG-CE1 4.07Å; E110-F403 HydrophobicContact CG-CE2 4.33Å; E110-F403 HydrophobicContact CG-CZ 3.72Å; E110-L427 HydrophobicContact CG-CD2 4.48Å
111	S	96.5	Very high	95.3	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-64.2	-39.4	172.5	-75.2	0	0	0	0	112.2	M103 K105 I107 S108 A114 N115 L159	M103-S111 WeakPolarHBondContact O-CB 3.45Å; M103-S111 PolarHBondContact O-OG 3.39Å; K105-S111 PolarHBondContact N-OG 3.45Å; I107-S111 PolarHBondContact O-N 3.45Å; S108-S111 PolarHBondContact O-N 2.9Å; S111-A114 PolarHBondContact O-N 3.26Å; S111-N115 WeakPolarHBondContact O-CB 3.29Å; S111-N115 PolarHBondContact O-N 3.07Å; S111-L159 WeakPolarHBondContact OG-CD2 3.4Å
112	K	96.4	Very high	95.3	Very high	96 Å²	96	31.4 Å²	31.4	42%	0.417	17%	0.17	S	C	.	.	H	α-helix	trans	-62.4	-45.1	173	-75.4	-180	177.3	-172.1	0	111.8	S108 I109 Y116 L162	S108-K112 WeakPolarHBondContact O-CG 3.34Å; S108-K112 PolarHBondContact O-N 3.05Å; I109-K112 PolarHBondContact O-N 3.17Å; K112-Y116 PolarHBondContact O-N 3.23Å; K112-L162 HydrophobicContact CG-CD2 4.19Å
113	M	97.7	Very high	95.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-46.5	175.6	-71.8	-171.3	-58.1	0	0	111.5	I109 E110 Y116 S117 M381 F403 A407 Y410 L427	I109-M113 WeakPolarHBondContact O-CG 3.1Å; I109-M113 PolarHBondContact O-N 3.3Å; E110-M113 HydrophobicContact CB-CE 4.43Å; E110-M113 HydrophobicContact CG-CE 4.06Å; E110-M113 PolarHBondContact O-N 3.13Å; M113-Y116 PolarHBondContact O-N 3.09Å; M113-S117 PolarHBondContact O-N 3.29Å; M113-S117 PolarHBondContact O-OG 3.3Å; M113-M381 HydrophobicContact SD-CE 4.17Å; M113-F403 HydrophobicContact CB-CD1 4.42Å; M113-F403 HydrophobicContact CE-CB 4.39Å; M113-F403 HydrophobicContact CE-CD1 4.19Å; M113-F403 HydrophobicContact CE-CG 4.15Å; M113-A407 HydrophobicContact SD-CB 3.68Å; M113-Y410 HydrophobicContact CG-CD2 3.72Å; M113-Y410 HydrophobicContact CG-CE2 3.68Å; M113-Y410 HydrophobicContact SD-CD2 4.29Å; M113-L427 HydrophobicContact CE-CD1 3.48Å; M113-L427 VanDerWaalsContact CE-CD1 3.48Å; M113-L427 HydrophobicContact SD-CD1 3.92Å
114	A	97.4	Very high	95.6	Very high	4 Å²	4	35.9 Å²	35.9	3%	0.033	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-42.6	-179.9	0	0	0	0	0	113.4	E110 S111 S117 S118 A402	E110-A114 WeakPolarHBondContact O-CB 3.4Å; E110-A114 PolarHBondContact O-N 2.89Å; S111-A114 PolarHBondContact O-N 3.26Å; A114-S117 PolarHBondContact O-N 2.78Å; A114-S118 WeakPolarHBondContact O-CB 3.34Å; A114-S118 PolarHBondContact O-N 3.4Å; A114-A402 WeakPolarHBondContact CA-O 3.39Å
115	N	96.8	Very high	95.7	Very high	65 Å²	65	38.5 Å²	38.5	35%	0.348	20%	0.199	S	C	.	.	H	α-helix	trans	-62.3	-42	175.3	-177	68.9	0	0	0	111.9	M103 S111 S119 I164	M103-N115 HydrophobicContact CG-CB 4.31Å; M103-N115 HydrophobicContact SD-CB 4.02Å; M103-N115 PolarHBondContact SD-OD1 3.36Å; S111-N115 WeakPolarHBondContact O-CB 3.29Å; S111-N115 PolarHBondContact O-N 3.07Å; N115-S119 PolarHBondContact O-N 3.44Å; N115-S119 VanDerWaalsContact O-N 3.12Å; N115-S119 PolarHBondContact O-OG 3.29Å; N115-I164 HydrophobicContact CB-CD1 4.42Å
116	Y	97.8	Very high	95.8	Very high	65 Å²	65	45.2 Å²	45.2	26%	0.255	23%	0.231	S	C	.	.	H	α-helix	trans	-65.8	-45.6	174.6	-179	-89.8	0	0	0	112.1	H72 K112 M113 S118 S119 L120 K409	H72-Y116 AromaticContact NE2-CE1 3.47Å; H72-Y116 WeakPolarHBondContact NE2-CE1 3.4Å; H72-Y116 AromaticContact NE2-CZ 3.75Å; H72-Y116 PolarHBondContact NE2-OH 3.26Å; H72-Y116 VanDerWaalsContact NE2-OH 3.15Å; K112-Y116 PolarHBondContact O-N 3.23Å; M113-Y116 PolarHBondContact O-N 3.09Å; Y116-S118 VanDerWaalsContact C-N 3.34Å; Y116-S118 PolarHBondContact O-N 3.15Å; Y116-S119 PolarHBondContact O-N 3.46Å; Y116-L120 HydrophobicContact CE1-CB 4.3Å; Y116-L120 HydrophobicContact CE1-CD2 4.04Å; Y116-L120 WeakPolarHBondContact O-CB 3.48Å; Y116-L120 PolarHBondContact O-N 2.8Å; Y116-K409 HydrophobicContact CD1-CB 4.49Å; Y116-K409 HydrophobicContact CD1-CD 4.27Å; Y116-K409 HydrophobicContact CD2-CD 3.98Å; Y116-K409 HydrophobicContact CE1-CB 3.97Å; Y116-K409 HydrophobicContact CE1-CD 3.88Å; Y116-K409 HydrophobicContact CE2-CD 3.59Å; Y116-K409 HydrophobicContact CG-CD 4.31Å
117	S	98.2	Very high	96.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.1	-44.9	177	-58.7	0	0	0	0	112.1	M113 A114 S119 L120 Y121 A402 F403 G405 G406	M113-S117 PolarHBondContact O-N 3.29Å; M113-S117 PolarHBondContact O-OG 3.3Å; A114-S117 PolarHBondContact O-N 2.78Å; S117-S119 PolarHBondContact O-N 3.4Å; S117-L120 PolarHBondContact O-N 2.83Å; S117-Y121 WeakPolarHBondContact O-CB 3.41Å; S117-Y121 VanDerWaalsContact O-CD1 3.29Å; S117-Y121 WeakPolarHBondContact O-CD1 3.43Å; S117-Y121 WeakPolarHBondContact O-CD2 3.39Å; S117-Y121 PolarHBondContact O-N 2.77Å; S117-A402 WeakPolarHBondContact CB-O 3.3Å; S117-A402 PolarHBondContact OG-O 2.97Å; S117-F403 PolarHBondContact OG-O 2.76Å; S117-G405 WeakPolarHBondContact OG-CA 2.99Å; S117-G405 PolarHBondContact OG-N 3.05Å; S117-G405 VanDerWaalsContact OG-N 3.15Å; S117-G406 PolarHBondContact OG-N 3.01Å
118	S	97.1	Very high	96.4	Very high	9 Å²	9	43.6 Å²	43.6	6%	0.063	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-46.6	176.2	168.4	0	0	0	0	111.7	A114 Y116 L120 Y121 Q122 Y134	A114-S118 WeakPolarHBondContact O-CB 3.34Å; A114-S118 PolarHBondContact O-N 3.4Å; Y116-S118 VanDerWaalsContact C-N 3.34Å; Y116-S118 PolarHBondContact O-N 3.15Å; S118-L120 PolarHBondContact O-N 2.61Å; S118-Y121 PolarHBondContact O-N 2.75Å; S118-Q122 PolarHBondContact O-N 3.49Å; S118-Y134 WeakPolarHBondContact O-CE2 3.24Å; S118-Y134 PolarHBondContact OG-OH 3.38Å
119	S	97	Very high	96.6	Very high	46 Å²	46	43.8 Å²	43.8	32%	0.322	23%	0.228	S	C	.	.	H	α-helix	trans	-61.7	-43.3	176.7	-55.4	0	0	0	0	112.3	N115 Y116 S117 Q123	N115-S119 PolarHBondContact O-N 3.44Å; N115-S119 VanDerWaalsContact O-N 3.12Å; N115-S119 PolarHBondContact O-OG 3.29Å; Y116-S119 PolarHBondContact O-N 3.46Å; S117-S119 PolarHBondContact O-N 3.4Å; S119-Q123 WeakPolarHBondContact O-CG 3.22Å; S119-Q123 PolarHBondContact O-N 2.92Å
120	L	98.2	Very high	96.6	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-48.1	177.8	176.4	61.8	0	0	0	111.4	Y71 Y116 S117 S118 Q122 Q123 L124 L207	Y71-L120 HydrophobicContact CE1-CD1 3.74Å; Y71-L120 HydrophobicContact CE1-CD2 4.18Å; Y116-L120 HydrophobicContact CE1-CB 4.3Å; Y116-L120 HydrophobicContact CE1-CD2 4.04Å; Y116-L120 WeakPolarHBondContact O-CB 3.48Å; Y116-L120 PolarHBondContact O-N 2.8Å; S117-L120 PolarHBondContact O-N 2.83Å; S118-L120 PolarHBondContact O-N 2.61Å; L120-Q122 PolarHBondContact O-N 3.34Å; L120-Q123 PolarHBondContact O-N 3.04Å; L120-L124 HydrophobicContact CD1-CD2 4.25Å; L120-L124 HydrophobicContact CD1-CG 4.19Å; L120-L124 HydrophobicContact CG-CD1 4.34Å; L120-L124 HydrophobicContact CG-CG 4.26Å; L120-L124 WeakPolarHBondContact O-CG 3.39Å; L120-L124 PolarHBondContact O-N 2.84Å; L120-L207 HydrophobicContact CD2-CD2 4.17Å
121	Y	97.9	Very high	96.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.9	-21.7	-175.5	-56	-14.8	0	0	0	113.1	I64 L101 S117 S118 L124 T132 V198 V203 L207 L401 G405	I64-Y121 HydrophobicContact CD1-CE2 4.47Å; L101-Y121 HydrophobicContact CD1-CD2 3.93Å; L101-Y121 HydrophobicContact CD2-CD2 4.09Å; L101-Y121 HydrophobicContact CD2-CE2 3.94Å; S117-Y121 WeakPolarHBondContact O-CB 3.41Å; S117-Y121 VanDerWaalsContact O-CD1 3.29Å; S117-Y121 WeakPolarHBondContact O-CD1 3.43Å; S117-Y121 WeakPolarHBondContact O-CD2 3.39Å; S117-Y121 PolarHBondContact O-N 2.77Å; S118-Y121 PolarHBondContact O-N 2.75Å; Y121-L124 HydrophobicContact CD1-CD1 3.91Å; Y121-T132 WeakPolarHBondContact O-CB 3.34Å; Y121-T132 WeakPolarHBondContact O-CG2 3.25Å; Y121-T132 PolarHBondContact O-OG1 3.08Å; Y121-V198 HydrophobicContact CD2-CG1 4.46Å; Y121-V198 HydrophobicContact CD2-CG2 4.32Å; Y121-V203 HydrophobicContact CD1-CG1 3.48Å; Y121-V203 VanDerWaalsContact CD1-CG1 3.48Å; Y121-V203 HydrophobicContact CD2-CG1 3.93Å; Y121-V203 HydrophobicContact CD2-CG2 4.21Å; Y121-V203 HydrophobicContact CE1-CG1 3.51Å; Y121-V203 HydrophobicContact CE2-CG1 3.95Å; Y121-V203 HydrophobicContact CG-CG1 3.72Å; Y121-V203 HydrophobicContact CG-CG2 4.16Å; Y121-L207 HydrophobicContact CE1-CD1 4.38Å; Y121-L401 HydrophobicContact CE2-CD1 4.22Å; Y121-L401 VanDerWaalsContact CE2-O 3.3Å; Y121-L401 WeakPolarHBondContact CE2-O 3.42Å; Y121-L401 PolarHBondContact OH-O 2.99Å; Y121-L401 VanDerWaalsContact OH-O 3.1Å; Y121-G405 PolarHBondContact OH-N 2.87Å; Y121-G405 VanDerWaalsContact OH-N 3.07Å
122	Q	96.2	Very high	96.5	Very high	120 Å²	120	50.8 Å²	50.8	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-70.3	-38.7	168.2	-171.9	179.6	-3.5	0	0	111.8	S118 L120 Y134	S118-Q122 PolarHBondContact O-N 3.49Å; L120-Q122 PolarHBondContact O-N 3.34Å; Q122-Y134 HydrophobicContact CB-CD1 4.48Å; Q122-Y134 HydrophobicContact CB-CD2 4.2Å; Q122-Y134 HydrophobicContact CB-CE1 4.34Å; Q122-Y134 HydrophobicContact CB-CE2 4.06Å; Q122-Y134 HydrophobicContact CB-CG 4.42Å; Q122-Y134 HydrophobicContact CG-CD1 4.4Å; Q122-Y134 HydrophobicContact CG-CE1 4.32Å
123	Q	96.9	Very high	96.4	Very high	107 Å²	107	48 Å²	48	50%	0.5	26%	0.258	S	S	.	.	H	α-helix	trans	-82.3	-23.9	-177	-68	169.7	1.5	0	0	113.8	S119 L120 E125 E126 E127	S119-Q123 WeakPolarHBondContact O-CG 3.22Å; S119-Q123 PolarHBondContact O-N 2.92Å; L120-Q123 PolarHBondContact O-N 3.04Å; Q123-E125 VanDerWaalsContact C-N 3.28Å; Q123-E125 PolarHBondContact O-N 3.36Å; Q123-E126 WeakPolarHBondContact O-CB 3.3Å; Q123-E126 PolarHBondContact O-N 2.77Å; Q123-E127 PolarHBondContact O-N 3.38Å; Q123-E127 VanDerWaalsContact O-N 3.13Å
124	L	96.7	Very high	96.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-30.5	-176.3	-81.5	175.3	0	0	0	114.1	L120 Y121 E126 E127 T128 T132 V203 A206 L207 A210	L120-L124 HydrophobicContact CD1-CD2 4.25Å; L120-L124 HydrophobicContact CD1-CG 4.19Å; L120-L124 HydrophobicContact CG-CD1 4.34Å; L120-L124 HydrophobicContact CG-CG 4.26Å; L120-L124 WeakPolarHBondContact O-CG 3.39Å; L120-L124 PolarHBondContact O-N 2.84Å; Y121-L124 HydrophobicContact CD1-CD1 3.91Å; L124-E126 VanDerWaalsContact C-N 3.33Å; L124-E127 PolarHBondContact O-N 3.44Å; L124-T128 HydrophobicContact CD2-CG2 4.28Å; L124-T128 VanDerWaalsContact O-CB 3.3Å; L124-T128 WeakPolarHBondContact O-CB 3.47Å; L124-T128 WeakPolarHBondContact O-CG2 3.37Å; L124-T128 PolarHBondContact O-N 2.87Å; L124-T128 PolarHBondContact O-OG1 2.97Å; L124-T132 HydrophobicContact CB-CG2 3.76Å; L124-T132 HydrophobicContact CD1-CG2 4.37Å; L124-V203 HydrophobicContact CD1-CG1 4.42Å; L124-A206 HydrophobicContact CB-CB 4.14Å; L124-A206 HydrophobicContact CD1-CB 4.15Å; L124-L207 HydrophobicContact CD1-CD2 3.84Å; L124-L207 HydrophobicContact CD1-CG 3.84Å; L124-L207 HydrophobicContact CD2-CD2 4.23Å; L124-A210 HydrophobicContact CD2-CB 4.44Å
125	E	95.7	Very high	96.3	Very high	71 Å²	71	52.8 Å²	52.8	33%	0.332	28%	0.282	S	S	.	.	H	α-helix	trans	-66.3	-36.4	175.8	-175.4	167.9	166.1	0	0	111.4	Q123 G129 V130 K131	Q123-E125 VanDerWaalsContact C-N 3.28Å; Q123-E125 PolarHBondContact O-N 3.36Å; E125-G129 VanDerWaalsContact O-CA 3.26Å; E125-G129 WeakPolarHBondContact O-CA 3.42Å; E125-G129 PolarHBondContact O-N 3.46Å; E125-V130 WeakPolarHBondContact CA-O 3.45Å; E125-K131 HydrophobicContact CG-CG 4.43Å; E125-K131 WeakPolarHBondContact OE1-CD 3.46Å; E125-K131 WeakPolarHBondContact OE1-CE 3.39Å; E125-K131 WeakPolarHBondContact OE1-CG 3.03Å; E125-K131 IonicContact OE1-NZ 3.52Å; E125-K131 WeakPolarHBondContact OE2-CA 3.22Å
126	E	95.6	Very high	96.3	Very high	171 Å²	171	55.2 Å²	55.2	80%	0.799	29%	0.289	S	S	*	.	H	α-helix	trans	-71.1	-40.6	176.1	-58.5	179.5	170.5	0	0	111.7	Q123 L124	Q123-E126 WeakPolarHBondContact O-CB 3.3Å; Q123-E126 PolarHBondContact O-N 2.77Å; L124-E126 VanDerWaalsContact C-N 3.33Å
127	E	95.1	Very high	96.3	Very high	70 Å²	70	52.5 Å²	52.5	33%	0.327	28%	0.279	S	S	.	.	H	α-helix	trans	-70.5	-37.5	178.2	-176.3	174.3	178.4	0	0	112.5	Y71 Q123 L124 R213	Y71-E127 WeakPolarHBondContact CE2-OE1 3.3Å; Y71-E127 PolarHBondContact OH-OE2 3.29Å; Q123-E127 PolarHBondContact O-N 3.38Å; Q123-E127 VanDerWaalsContact O-N 3.13Å; L124-E127 PolarHBondContact O-N 3.44Å; E127-R213 PolarHBondContact O-NH1 2.98Å
128	T	95.5	Very high	96.2	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-110.9	-26.1	-167	69.4	0	0	0	0	114.7	L124 V130 A206 A210 R213	L124-T128 HydrophobicContact CD2-CG2 4.28Å; L124-T128 VanDerWaalsContact O-CB 3.3Å; L124-T128 WeakPolarHBondContact O-CB 3.47Å; L124-T128 WeakPolarHBondContact O-CG2 3.37Å; L124-T128 PolarHBondContact O-N 2.87Å; L124-T128 PolarHBondContact O-OG1 2.97Å; T128-V130 PolarHBondContact O-N 3.38Å; T128-V130 WeakPolarHBondContact OG1-CB 3.44Å; T128-V130 PolarHBondContact OG1-N 3.1Å; T128-A206 HydrophobicContact CG2-CB 4.44Å; T128-A206 WeakPolarHBondContact CG2-O 3.31Å; T128-A210 HydrophobicContact CG2-CB 3.74Å; T128-R213 PolarHBondContact O-NH1 3.29Å; T128-R213 PolarHBondContact O-NH2 3.24Å
129	G	94.7	Very high	96.3	Very high	64 Å²	64	52.1 Å²	52.1	66%	0.66	28%	0.277	S	S	*	.	S	Bend	trans	73.5	3.5	-164.7	0	0	0	0	0	114.1	E125	E125-G129 VanDerWaalsContact O-CA 3.26Å; E125-G129 WeakPolarHBondContact O-CA 3.42Å; E125-G129 PolarHBondContact O-N 3.46Å
130	V	95	Very high	96.3	Very high	27 Å²	27	50 Å²	50	16%	0.164	26%	0.262	C	S	.	.			trans	-94.9	122.1	175.4	-178.9	0	0	0	0	109	E125 T128 T132 A206 V209	E125-V130 WeakPolarHBondContact CA-O 3.45Å; T128-V130 PolarHBondContact O-N 3.38Å; T128-V130 WeakPolarHBondContact OG1-CB 3.44Å; T128-V130 PolarHBondContact OG1-N 3.1Å; V130-T132 PolarHBondContact O-N 2.66Å; V130-A206 HydrophobicContact CB-CB 3.94Å; V130-A206 HydrophobicContact CG1-CB 4.01Å; V130-V209 HydrophobicContact CG2-CB 4.46Å; V130-V209 HydrophobicContact CG2-CG1 4.48Å; V130-V209 HydrophobicContact CG2-CG2 4.24Å
131	K	95	Very high	96.3	Very high	142 Å²	142	50.1 Å²	50.1	62%	0.617	26%	0.263	S	S	*	.			trans	-69.4	123.5	179.6	-54.1	-146.8	168.4	-154.9	0	110.9	E125 G133 D202	E125-K131 HydrophobicContact CG-CG 4.43Å; E125-K131 WeakPolarHBondContact OE1-CD 3.46Å; E125-K131 WeakPolarHBondContact OE1-CE 3.39Å; E125-K131 WeakPolarHBondContact OE1-CG 3.03Å; E125-K131 IonicContact OE1-NZ 3.52Å; E125-K131 WeakPolarHBondContact OE2-CA 3.22Å; K131-G133 VanDerWaalsContact C-N 3.28Å; K131-G133 PolarHBondContact O-N 3.29Å; K131-D202 WeakPolarHBondContact O-CB 3.27Å
132	T	95.6	Very high	96.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	26%	0.263	C	S	.	.			trans	-82.8	-5.2	177.2	53.9	0	0	0	0	113.8	Y121 L124 V130 Y134 S199 V203 A206	Y121-T132 WeakPolarHBondContact O-CB 3.34Å; Y121-T132 WeakPolarHBondContact O-CG2 3.25Å; Y121-T132 PolarHBondContact O-OG1 3.08Å; L124-T132 HydrophobicContact CB-CG2 3.76Å; L124-T132 HydrophobicContact CD1-CG2 4.37Å; V130-T132 PolarHBondContact O-N 2.66Å; T132-Y134 PolarHBondContact O-N 2.82Å; T132-S199 PolarHBondContact O-N 3.47Å; T132-V203 HydrophobicContact CG2-CG2 3.98Å; T132-A206 HydrophobicContact CG2-CB 4.17Å
133	G	94.5	Very high	96.5	Very high	37 Å²	37	44.4 Å²	44.4	38%	0.381	24%	0.236	S	C	.	.			trans	67.1	23.4	-173.7	0	0	0	0	0	113.3	K131 V135	K131-G133 VanDerWaalsContact C-N 3.28Å; K131-G133 PolarHBondContact O-N 3.29Å; G133-V135 PolarHBondContact O-N 3.12Å
134	Y	96.9	Very high	96.5	Very high	48 Å²	48	41.9 Å²	41.9	19%	0.188	23%	0.225	C	C	.	.			trans	-65.2	114.6	-177	-166.8	-80.7	0	0	0	112	L101 S118 Q122 T132 K136 A196 V197 V198	L101-Y134 HydrophobicContact CD1-CD2 4.49Å; L101-Y134 HydrophobicContact CD1-CE2 4.12Å; S118-Y134 WeakPolarHBondContact O-CE2 3.24Å; S118-Y134 PolarHBondContact OG-OH 3.38Å; Q122-Y134 HydrophobicContact CB-CD1 4.48Å; Q122-Y134 HydrophobicContact CB-CD2 4.2Å; Q122-Y134 HydrophobicContact CB-CE1 4.34Å; Q122-Y134 HydrophobicContact CB-CE2 4.06Å; Q122-Y134 HydrophobicContact CB-CG 4.42Å; Q122-Y134 HydrophobicContact CG-CD1 4.4Å; Q122-Y134 HydrophobicContact CG-CE1 4.32Å; T132-Y134 PolarHBondContact O-N 2.82Å; Y134-K136 HydrophobicContact CE1-CB 4.37Å; Y134-A196 HydrophobicContact CE1-CB 3.96Å; Y134-A196 HydrophobicContact CE2-CB 3.86Å; Y134-V197 WeakPolarHBondContact CA-O 3.47Å; Y134-V198 HydrophobicContact CD2-CG1 3.47Å; Y134-V198 VanDerWaalsContact CD2-CG1 3.47Å; Y134-V198 HydrophobicContact CE2-CG1 4.3Å; Y134-V198 HydrophobicContact CG-CG1 4.1Å
135	V	96.5	Very high	96.5	Very high	57 Å²	57	44.5 Å²	44.5	35%	0.345	24%	0.239	S	C	.	.	B	Isolated β-bridge	trans	-123.7	119	173.4	-176.6	0	0	0	0	108.6	G133 T137 A196 V197 N292	G133-V135 PolarHBondContact O-N 3.12Å; V135-T137 HydrophobicContact CB-CG2 4.46Å; V135-T137 HydrophobicContact CG1-CG2 4.04Å; V135-T137 PolarHBondContact O-N 3.35Å; V135-A196 CarbonylContact O-C 3.39Å; V135-A196 WeakPolarHBondContact O-CA 3.21Å; V135-A196 WeakPolarHBondContact O-CB 3.39Å; V135-V197 PolarHBondContact N-O 3.15Å; V135-V197 PolarHBondContact O-N 3.21Å; V135-N292 HydrophobicContact CG1-CB 4.45Å
136	K	96.6	Very high	96.5	Very high	116 Å²	116	45.6 Å²	45.6	50%	0.504	24%	0.244	S	C	.	.			trans	-75.8	90	174.4	-169	-178.2	-172.7	179.5	0	109.7	Y134 P193 D194	Y134-K136 HydrophobicContact CE1-CB 4.37Å; K136-P193 VanDerWaalsContact CE-O 3.31Å; K136-P193 WeakPolarHBondContact CE-O 3.36Å; K136-D194 WeakPolarHBondContact CE-OD1 3.22Å; K136-D194 IonicContact NZ-OD1 2.75Å; K136-D194 PolarHBondContact NZ-OD1 3.02Å
137	T	96.8	Very high	96.5	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.049	22%	0.221	C	C	.	.			trans	-85.8	-29.1	179.8	54.5	0	0	0	0	112.6	V135 D195 V197 P294	V135-T137 HydrophobicContact CB-CG2 4.46Å; V135-T137 HydrophobicContact CG1-CG2 4.04Å; V135-T137 PolarHBondContact O-N 3.35Å; T137-D195 PolarHBondContact N-O 3.06Å; T137-V197 HydrophobicContact CG2-CB 4.36Å; T137-V197 HydrophobicContact CG2-CG2 3.97Å; T137-P294 WeakPolarHBondContact O-CA 3.17Å; T137-P294 WeakPolarHBondContact O-CG 3.47Å
138	G	97.6	Very high	96.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	21%	0.207	C	C	.	.			trans	67.1	176.6	-155.1	0	0	0	0	0	112.9	L192 D195 P294 V295	G138-L192 CarbonylContact C-O 3.58Å; G138-L192 WeakPolarHBondContact CA-O 3.43Å; G138-D195 VanDerWaalsContact CA-O 3.3Å; G138-D195 WeakPolarHBondContact CA-O 3.23Å; G138-D195 PolarHBondContact N-O 3.33Å; G138-P294 WeakPolarHBondContact O-CA 3.41Å; G138-V295 PolarHBondContact O-N 2.91Å
139	S	98.1	Very high	96.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	156	173.9	83.4	0	0	0	0	112.9	H191 L192 D195 V295	S139-H191 WeakPolarHBondContact O-CA 3.14Å; S139-H191 PolarHBondContact O-CD2 2.7Å; S139-L192 PolarHBondContact N-O 3.37Å; S139-L192 PolarHBondContact O-N 3.33Å; S139-L192 WeakPolarHBondContact OG-CD1 3.35Å; S139-D195 WeakPolarHBondContact CB-OD2 3.2Å; S139-D195 PolarHBondContact OG-OD2 3.05Å; S139-V295 CarbonylContact C-O 3.54Å; S139-V295 VanDerWaalsContact CA-O 3.27Å; S139-V295 WeakPolarHBondContact CA-O 3.32Å
140	L	98.5	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	98.3	-179.3	-63.5	174	0	0	0	109.2	L142 I169 I174 L177 H178 H191 P294 V295 I296 I297	L140-L142 HydrophobicContact CB-CD2 4.11Å; L140-L142 PolarHBondContact O-N 3.04Å; L140-I169 HydrophobicContact CD2-CD1 3.85Å; L140-I174 HydrophobicContact CD1-CG2 4.29Å; L140-L177 HydrophobicContact CD1-CB 4.16Å; L140-L177 HydrophobicContact CD2-CD1 4.05Å; L140-H178 HydrophobicContact CD1-CB 4.22Å; L140-H191 HydrophobicContact CD2-CB 3.69Å; L140-P294 HydrophobicContact CD1-CB 3.95Å; L140-P294 HydrophobicContact CD1-CG 4.32Å; L140-P294 HydrophobicContact CG-CB 3.89Å; L140-V295 PolarHBondContact N-O 3.45Å; L140-I296 HydrophobicContact CB-CD1 3.86Å; L140-I296 HydrophobicContact CD1-CD1 3.78Å; L140-I296 HydrophobicContact CG-CD1 4.32Å; L140-I297 PolarHBondContact O-N 2.89Å
141	C	98.2	Very high	96.8	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.041	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	113.6	170.2	-57.2	0	0	0	0	109.2	L152 A189 L190 I297 M299	C141-L152 HydrophobicContact CB-CD1 4.44Å; C141-L152 HydrophobicContact CB-CD2 3.8Å; C141-L152 WeakPolarHBondContact O-CD1 3.15Å; C141-A189 CarbonylContact O-C 3.47Å; C141-A189 WeakPolarHBondContact O-CA 3.37Å; C141-A189 VanDerWaalsContact O-CB 3.27Å; C141-A189 WeakPolarHBondContact O-CB 3.43Å; C141-L190 HydrophobicContact CB-CB 4.27Å; C141-L190 PolarHBondContact N-O 2.82Å; C141-L190 PolarHBondContact O-N 2.98Å; C141-I297 CarbonylContact C-O 3.49Å; C141-I297 WeakPolarHBondContact CA-O 3.16Å; C141-M299 HydrophobicContact CB-CE 4.24Å
142	L	98.4	Very high	96.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	156.2	-172.4	-51.3	-172.5	0	0	0	112.5	L140 I174 V181 L186 A189 I296 I297 D298 R354	L140-L142 HydrophobicContact CB-CD2 4.11Å; L140-L142 PolarHBondContact O-N 3.04Å; L142-I174 HydrophobicContact CD2-CD1 4.16Å; L142-I174 HydrophobicContact CD2-CG2 4.37Å; L142-V181 HydrophobicContact CD1-CG1 4.48Å; L142-L186 HydrophobicContact CB-CD2 4.06Å; L142-L186 HydrophobicContact CD1-CD1 4.07Å; L142-L186 HydrophobicContact CD1-CD2 4.33Å; L142-L186 HydrophobicContact CD2-CD1 4.2Å; L142-A189 HydrophobicContact CD2-CB 3.92Å; L142-I296 HydrophobicContact CD1-CG2 3.69Å; L142-I296 HydrophobicContact CG-CG2 4.15Å; L142-I297 PolarHBondContact N-O 3.4Å; L142-D298 HydrophobicContact CD1-CB 4.17Å; L142-R354 HydrophobicContact CD1-CG 4.35Å
143	A	98.1	Very high	96.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	116.5	168.9	0	0	0	0	0	111.1	N145 R148 F149 L152 V187 G188	A143-N145 VanDerWaalsContact C-N 3.35Å; A143-R148 HydrophobicContact CB-CB 3.88Å; A143-R148 HydrophobicContact CB-CG 3.71Å; A143-F149 HydrophobicContact CB-CB 3.84Å; A143-F149 HydrophobicContact CB-CD2 4.22Å; A143-F149 HydrophobicContact CB-CG 4.49Å; A143-L152 HydrophobicContact CB-CD1 3.92Å; A143-V187 PolarHBondContact O-N 3.08Å; A143-G188 PolarHBondContact N-O 2.78Å
144	Q	97.4	Very high	96.9	Very high	55 Å²	55	31.4 Å²	31.4	26%	0.257	15%	0.153	S	C	.	.	S	Bend	trans	-83.4	-15.1	174.5	-61.7	-178.5	21.5	0	0	112.2	L186 D298 D300 R354	Q144-L186 HydrophobicContact CG-CD2 4.05Å; Q144-D298 PolarHBondContact NE2-OD1 3.16Å; Q144-D298 PolarHBondContact NE2-OD2 2.92Å; Q144-D300 HydrophobicContact CB-CB 3.95Å; Q144-D300 HydrophobicContact CG-CB 3.79Å; Q144-D300 PolarHBondContact N-OD2 2.77Å; Q144-R354 VanDerWaalsContact NE2-NH2 3.2Å
145	N	96.8	Very high	96.9	Very high	55 Å²	55	30.2 Å²	30.2	29%	0.294	15%	0.15	S	C	.	.	S	Bend	trans	-141	164.9	-178.6	62.7	74.9	0	0	0	112	A143 D147 R148 F149 D300	A143-N145 VanDerWaalsContact C-N 3.35Å; N145-D147 PolarHBondContact O-N 3.4Å; N145-D147 PolarHBondContact OD1-N 3.1Å; N145-R148 PolarHBondContact O-N 3.44Å; N145-R148 PolarHBondContact OD1-N 2.77Å; N145-F149 PolarHBondContact O-N 3.18Å; N145-F149 VanDerWaalsContact O-N 3.09Å; N145-D300 PolarHBondContact ND2-OD1 3Å; N145-D300 PolarHBondContact ND2-OD2 3.19Å
146	Q	95.9	Very high	96.8	Very high	94 Å²	94	27.7 Å²	27.7	44%	0.439	14%	0.135	S	C	.	.	H	α-helix	trans	-65.3	-35.4	-175.3	-177.1	65.5	3.7	0	0	112.8	F149 I150	Q146-F149 CarbonylContact O-C 3.54Å; Q146-F149 WeakPolarHBondContact O-CA 3.28Å; Q146-F149 WeakPolarHBondContact O-CB 3.47Å; Q146-F149 PolarHBondContact O-N 3.48Å; Q146-F149 VanDerWaalsContact O-N 3.16Å; Q146-I150 HydrophobicContact CG-CD1 4.12Å; Q146-I150 WeakPolarHBondContact O-CG1 3.35Å; Q146-I150 PolarHBondContact O-N 2.8Å
147	D	95.7	Very high	96.7	Very high	58 Å²	58	22.8 Å²	22.8	31%	0.31	12%	0.115	S	C	.	.	H	α-helix	trans	-72	-37.8	-178.9	-67.2	-41	0	0	0	112.2	N145 F149 I150 S151 L456 F513	N145-D147 PolarHBondContact O-N 3.4Å; N145-D147 PolarHBondContact OD1-N 3.1Å; D147-F149 VanDerWaalsContact C-N 3.29Å; D147-F149 PolarHBondContact O-N 3.31Å; D147-I150 PolarHBondContact O-N 3.09Å; D147-S151 PolarHBondContact O-N 2.98Å; D147-L456 HydrophobicContact CB-CD2 3.59Å; D147-F513 HydrophobicContact CB-CD2 4.17Å; D147-F513 HydrophobicContact CB-CE2 3.96Å; D147-F513 VanDerWaalsContact O-CE2 3.29Å; D147-F513 WeakPolarHBondContact O-CE2 3.45Å
148	R	96.8	Very high	96.5	Very high	10 Å²	10	25 Å²	25	4%	0.038	12%	0.123	C	C	.	.	H	α-helix	trans	-60.4	-41.6	167	-175	66.7	65.3	169.6	8.4	110.7	A143 N145 I150 S151 L152 M299 D300 Y454	A143-R148 HydrophobicContact CB-CB 3.88Å; A143-R148 HydrophobicContact CB-CG 3.71Å; N145-R148 PolarHBondContact O-N 3.44Å; N145-R148 PolarHBondContact OD1-N 2.77Å; R148-I150 PolarHBondContact O-N 3.49Å; R148-S151 WeakPolarHBondContact O-CB 3.13Å; R148-S151 PolarHBondContact O-N 2.9Å; R148-L152 WeakPolarHBondContact O-CG 3.49Å; R148-L152 PolarHBondContact O-N 2.7Å; R148-M299 PolarHBondContact NH1-SD 3.44Å; R148-D300 WeakPolarHBondContact CB-OD2 3.22Å; R148-D300 WeakPolarHBondContact CG-OD2 3.49Å; R148-D300 IonicContact CZ-OD1 2.75Å; R148-D300 IonicContact NE-OD1 2.69Å; R148-D300 PolarHBondContact NE-OD1 2.98Å; R148-D300 IonicContact NE-OD2 2.9Å; R148-D300 IonicContact NH2-OD1 3.5Å; R148-D300 PolarHBondContact NH2-OD1 2.69Å; R148-Y454 PolarHBondContact NH1-O 2.76Å; R148-Y454 PolarHBondContact NH2-O 2.89Å
149	F	97.3	Very high	96.3	Very high	23 Å²	23	25 Å²	25	10%	0.101	12%	0.122	C	C	.	.	H	α-helix	trans	-65.2	-37.2	178.3	-166.4	-132	0	0	0	112.5	A143 N145 Q146 D147 L152 K153 I168 V187	A143-F149 HydrophobicContact CB-CB 3.84Å; A143-F149 HydrophobicContact CB-CD2 4.22Å; A143-F149 HydrophobicContact CB-CG 4.49Å; N145-F149 PolarHBondContact O-N 3.18Å; N145-F149 VanDerWaalsContact O-N 3.09Å; Q146-F149 CarbonylContact O-C 3.54Å; Q146-F149 WeakPolarHBondContact O-CA 3.28Å; Q146-F149 WeakPolarHBondContact O-CB 3.47Å; Q146-F149 PolarHBondContact O-N 3.48Å; Q146-F149 VanDerWaalsContact O-N 3.16Å; D147-F149 VanDerWaalsContact C-N 3.29Å; D147-F149 PolarHBondContact O-N 3.31Å; F149-L152 PolarHBondContact O-N 3.37Å; F149-K153 WeakPolarHBondContact O-CG 3.5Å; F149-K153 PolarHBondContact O-N 3.28Å; F149-I168 HydrophobicContact CE2-CG2 3.52Å; F149-I168 HydrophobicContact CZ-CG2 3.47Å; F149-I168 VanDerWaalsContact CZ-CG2 3.47Å; F149-V187 HydrophobicContact CB-CB 4.47Å; F149-V187 HydrophobicContact CB-CG1 4.01Å; F149-V187 HydrophobicContact CD1-CG1 3.66Å; F149-V187 HydrophobicContact CE1-CG1 4.23Å; F149-V187 HydrophobicContact CG-CG1 3.89Å
150	I	96.4	Very high	96	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.015	15%	0.145	C	C	.	.	H	α-helix	trans	-62.3	-45.7	170.3	-70.5	158.6	0	0	0	110.7	Q146 D147 R148 L152 K153 R154 F513 Y514 L793	Q146-I150 HydrophobicContact CG-CD1 4.12Å; Q146-I150 WeakPolarHBondContact O-CG1 3.35Å; Q146-I150 PolarHBondContact O-N 2.8Å; D147-I150 PolarHBondContact O-N 3.09Å; R148-I150 PolarHBondContact O-N 3.49Å; I150-L152 PolarHBondContact O-N 2.9Å; I150-K153 PolarHBondContact O-N 3.37Å; I150-R154 WeakPolarHBondContact O-CG 3.48Å; I150-R154 PolarHBondContact O-N 3.44Å; I150-F513 HydrophobicContact CB-CD2 4.21Å; I150-F513 HydrophobicContact CB-CE2 4.48Å; I150-F513 HydrophobicContact CG2-CB 4Å; I150-F513 HydrophobicContact CG2-CD1 4.14Å; I150-F513 HydrophobicContact CG2-CD2 3.8Å; I150-F513 HydrophobicContact CG2-CE2 4.29Å; I150-F513 HydrophobicContact CG2-CG 3.73Å; I150-Y514 HydrophobicContact CD1-CE2 4.16Å; I150-L793 HydrophobicContact CD1-CD2 3.98Å; I150-L793 HydrophobicContact CG1-CD1 4.39Å; I150-L793 HydrophobicContact CG1-CD2 4.38Å; I150-L793 HydrophobicContact CG2-CD1 4.01Å; I150-L793 HydrophobicContact CG2-CD2 3.93Å
151	S	95.6	Very high	95.6	Very high	35 Å²	35	32.2 Å²	32.2	25%	0.245	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-45.3	176.5	-170.7	0	0	0	0	112.2	D147 R148 K153 R154 L155	D147-S151 PolarHBondContact O-N 2.98Å; R148-S151 WeakPolarHBondContact O-CB 3.13Å; R148-S151 PolarHBondContact O-N 2.9Å; S151-K153 PolarHBondContact O-N 3.25Å; S151-R154 PolarHBondContact O-N 3.14Å; S151-L155 PolarHBondContact O-N 3.03Å
152	L	96.5	Very high	95.3	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-39.9	174.9	-71.4	-176.6	0	0	0	112.8	C141 A143 R148 F149 I150 L155 A156 I168 L190 M299	C141-L152 HydrophobicContact CB-CD1 4.44Å; C141-L152 HydrophobicContact CB-CD2 3.8Å; C141-L152 WeakPolarHBondContact O-CD1 3.15Å; A143-L152 HydrophobicContact CB-CD1 3.92Å; R148-L152 WeakPolarHBondContact O-CG 3.49Å; R148-L152 PolarHBondContact O-N 2.7Å; F149-L152 PolarHBondContact O-N 3.37Å; I150-L152 PolarHBondContact O-N 2.9Å; L152-L155 WeakPolarHBondContact O-CB 3.39Å; L152-L155 PolarHBondContact O-N 3.08Å; L152-A156 WeakPolarHBondContact O-CB 3.31Å; L152-A156 PolarHBondContact O-N 3.01Å; L152-I168 HydrophobicContact CB-CD1 4.46Å; L152-L190 HydrophobicContact CB-CB 4.18Å; L152-L190 HydrophobicContact CD1-CB 4.21Å; L152-L190 HydrophobicContact CD2-CB 4.11Å; L152-L190 HydrophobicContact CD2-CD2 4.35Å; L152-L190 HydrophobicContact CG-CB 4.41Å; L152-M299 HydrophobicContact CD2-CE 3.71Å
153	K	96.7	Very high	95	Very high	63 Å²	63	37.3 Å²	37.3	27%	0.274	20%	0.2	S	C	.	.	H	α-helix	trans	-62.1	-43.4	173.6	-75.8	172.5	176.7	-179.1	0	112.2	F149 I150 S151 L155 A156 T157 I168 A857	F149-K153 WeakPolarHBondContact O-CG 3.5Å; F149-K153 PolarHBondContact O-N 3.28Å; I150-K153 PolarHBondContact O-N 3.37Å; S151-K153 PolarHBondContact O-N 3.25Å; K153-L155 VanDerWaalsContact C-N 3.25Å; K153-L155 PolarHBondContact O-N 3.2Å; K153-A156 PolarHBondContact O-N 3.01Å; K153-T157 WeakPolarHBondContact O-CG2 3.46Å; K153-T157 PolarHBondContact O-N 3.49Å; K153-T157 PolarHBondContact O-OG1 2.83Å; K153-I168 HydrophobicContact CG-CD1 3.97Å; K153-I168 HydrophobicContact CG-CG1 4.11Å; K153-I168 HydrophobicContact CG-CG2 4.39Å; K153-A857 HydrophobicContact CB-CB 4.09Å; K153-A857 WeakPolarHBondContact CB-O 3.3Å
154	R	95.2	Very high	94.8	Very high	25 Å²	25	37.6 Å²	37.6	9%	0.094	20%	0.201	C	C	.	.	H	α-helix	trans	-64	-28	173.6	-69.4	-179.8	-178.7	-96.2	4	113	I150 S151 T157 R158 W794 E799 A857	I150-R154 WeakPolarHBondContact O-CG 3.48Å; I150-R154 PolarHBondContact O-N 3.44Å; S151-R154 PolarHBondContact O-N 3.14Å; R154-T157 PolarHBondContact O-OG1 3.33Å; R154-R158 WeakPolarHBondContact O-CG 3.35Å; R154-R158 PolarHBondContact O-NE 3.46Å; R154-W794 PolarHBondContact NH1-O 3.49Å; R154-W794 PolarHBondContact NH2-O 3.22Å; R154-E799 IonicContact NH1-OE1 2.71Å; R154-E799 PolarHBondContact NH1-OE1 3.34Å; R154-A857 HydrophobicContact CG-CB 3.64Å
155	L	95.1	Very high	94.7	Very high	22 Å²	22	38.7 Å²	38.7	12%	0.115	21%	0.208	C	C	.	.	H	α-helix	trans	-74.3	-47	172.1	-176.9	51.6	0	0	0	110.8	A104 K105 S151 L152 K153 T157 R158 L159 L190	A104-L155 HydrophobicContact CB-CD2 3.94Å; K105-L155 WeakPolarHBondContact O-CD1 3.5Å; S151-L155 PolarHBondContact O-N 3.03Å; L152-L155 WeakPolarHBondContact O-CB 3.39Å; L152-L155 PolarHBondContact O-N 3.08Å; K153-L155 VanDerWaalsContact C-N 3.25Å; K153-L155 PolarHBondContact O-N 3.2Å; L155-T157 VanDerWaalsContact C-N 3.35Å; L155-T157 PolarHBondContact O-N 2.84Å; L155-R158 PolarHBondContact O-N 2.87Å; L155-R158 VanDerWaalsContact O-N 3.12Å; L155-L159 HydrophobicContact CD1-CD1 4.24Å; L155-L159 HydrophobicContact CD1-CG 4.12Å; L155-L159 HydrophobicContact CG-CD1 3.97Å; L155-L159 HydrophobicContact CG-CG 4.34Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 2.88Å; L155-L190 HydrophobicContact CB-CD2 4.35Å; L155-L190 HydrophobicContact CD2-CD2 4.19Å; L155-L190 HydrophobicContact CG-CD2 4.12Å
156	A	95.5	Very high	94.7	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.033	20%	0.195	C	C	.	.	H	α-helix	trans	-57.7	-41.9	178	0	0	0	0	0	113.2	L152 K153 R158 L159 K160 I168 L190	L152-A156 WeakPolarHBondContact O-CB 3.31Å; L152-A156 PolarHBondContact O-N 3.01Å; K153-A156 PolarHBondContact O-N 3.01Å; A156-R158 VanDerWaalsContact C-N 3.31Å; A156-R158 PolarHBondContact O-N 2.92Å; A156-L159 PolarHBondContact O-N 2.89Å; A156-K160 WeakPolarHBondContact O-CG 3.45Å; A156-K160 PolarHBondContact O-N 3.26Å; A156-I168 HydrophobicContact CB-CD1 3.92Å; A156-I168 HydrophobicContact CB-CG1 3.99Å; A156-L190 HydrophobicContact CB-CD1 3.71Å
157	T	94.2	Very high	94.7	Very high	14 Å²	14	34.9 Å²	34.9	9%	0.086	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-37.3	177	53.5	0	0	0	0	112.4	K153 R154 L155 V161 P800 N855	K153-T157 WeakPolarHBondContact O-CG2 3.46Å; K153-T157 PolarHBondContact O-N 3.49Å; K153-T157 PolarHBondContact O-OG1 2.83Å; R154-T157 PolarHBondContact O-OG1 3.33Å; L155-T157 VanDerWaalsContact C-N 3.35Å; L155-T157 PolarHBondContact O-N 2.84Å; T157-V161 PolarHBondContact O-N 3.34Å; T157-P800 WeakPolarHBondContact O-CG 3.37Å; T157-N855 VanDerWaalsContact CG2-OD1 3.27Å; T157-N855 WeakPolarHBondContact CG2-OD1 3.33Å
158	R	92.6	Very high	94.8	Very high	55 Å²	55	35 Å²	35	21%	0.208	19%	0.192	C	C	.	.	H	α-helix	trans	-74.4	-37.6	176.8	-69.5	-179.3	-64.7	148.2	4.3	112.9	P106 R154 L155 A156 K160 V161 L162 G798	P106-R158 PolarHBondContact O-NH1 2.91Å; R154-R158 WeakPolarHBondContact O-CG 3.35Å; R154-R158 PolarHBondContact O-NE 3.46Å; L155-R158 PolarHBondContact O-N 2.87Å; L155-R158 VanDerWaalsContact O-N 3.12Å; A156-R158 VanDerWaalsContact C-N 3.31Å; A156-R158 PolarHBondContact O-N 2.92Å; R158-K160 VanDerWaalsContact C-N 3.33Å; R158-K160 PolarHBondContact O-N 3.19Å; R158-V161 WeakPolarHBondContact O-CB 3.46Å; R158-V161 PolarHBondContact O-N 3.2Å; R158-L162 PolarHBondContact O-N 3.37Å; R158-G798 VanDerWaalsContact CG-O 3.28Å; R158-G798 WeakPolarHBondContact CG-O 3.42Å
159	L	93.9	Very high	94.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-40.1	174.2	-70.5	171.3	0	0	0	111.8	A104 S111 L155 A156 V161 L162 G163 I164 C166 L190 L192	A104-L159 HydrophobicContact CB-CD1 4.16Å; S111-L159 WeakPolarHBondContact OG-CD2 3.4Å; L155-L159 HydrophobicContact CD1-CD1 4.24Å; L155-L159 HydrophobicContact CD1-CG 4.12Å; L155-L159 HydrophobicContact CG-CD1 3.97Å; L155-L159 HydrophobicContact CG-CG 4.34Å; L155-L159 WeakPolarHBondContact O-CG 3.3Å; L155-L159 PolarHBondContact O-N 2.88Å; A156-L159 PolarHBondContact O-N 2.89Å; L159-V161 VanDerWaalsContact C-N 3.29Å; L159-V161 PolarHBondContact O-N 2.93Å; L159-L162 CarbonylContact O-C 3.56Å; L159-L162 WeakPolarHBondContact O-CA 3.5Å; L159-L162 WeakPolarHBondContact O-CB 3.36Å; L159-L162 PolarHBondContact O-N 3.26Å; L159-G163 PolarHBondContact O-N 3.02Å; L159-I164 HydrophobicContact CB-CB 4.16Å; L159-I164 HydrophobicContact CB-CG2 4.4Å; L159-I164 HydrophobicContact CD2-CB 4.33Å; L159-I164 HydrophobicContact CD2-CD1 3.72Å; L159-I164 HydrophobicContact CD2-CG2 4.26Å; L159-I164 PolarHBondContact O-N 3.01Å; L159-C166 HydrophobicContact CD1-CB 4.37Å; L159-L190 HydrophobicContact CD1-CD2 4.14Å; L159-L192 HydrophobicContact CD1-CD2 3.94Å
160	K	91.3	Very high	94.9	Very high	108 Å²	108	41.2 Å²	41.2	47%	0.47	22%	0.219	S	C	.	.	H	α-helix	trans	-62.4	-32.8	175.1	-72.5	177.3	-178	-165.7	0	113.3	A156 R158 L162 G163 C166	A156-K160 WeakPolarHBondContact O-CG 3.45Å; A156-K160 PolarHBondContact O-N 3.26Å; R158-K160 VanDerWaalsContact C-N 3.33Å; R158-K160 PolarHBondContact O-N 3.19Å; K160-L162 VanDerWaalsContact C-N 3.26Å; K160-L162 PolarHBondContact O-N 3.45Å; K160-G163 PolarHBondContact O-N 3.47Å; K160-C166 WeakPolarHBondContact CE-O 3.48Å; K160-C166 PolarHBondContact NZ-O 3.2Å
161	V	90.6	Very high	94.9	Very high	43 Å²	43	42.4 Å²	42.4	26%	0.261	23%	0.227	S	C	.	.	H	α-helix	trans	-64.7	-31.5	171.6	169.6	0	0	0	0	112.2	T157 R158 L159 G163 P800 L807 T810	T157-V161 PolarHBondContact O-N 3.34Å; R158-V161 WeakPolarHBondContact O-CB 3.46Å; R158-V161 PolarHBondContact O-N 3.2Å; L159-V161 VanDerWaalsContact C-N 3.29Å; L159-V161 PolarHBondContact O-N 2.93Å; V161-G163 PolarHBondContact O-N 2.88Å; V161-P800 HydrophobicContact CG2-CB 3.6Å; V161-P800 HydrophobicContact CG2-CG 3.53Å; V161-L807 HydrophobicContact CB-CD2 4.22Å; V161-L807 HydrophobicContact CG1-CD2 4.22Å; V161-L807 HydrophobicContact CG2-CD1 3.82Å; V161-L807 HydrophobicContact CG2-CD2 3.95Å; V161-T810 HydrophobicContact CG1-CG2 3.77Å; V161-T810 HydrophobicContact CG2-CG2 4.36Å
162	L	91.1	Very high	95	Very high	47 Å²	47	49 Å²	49	25%	0.246	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	4.1	176.3	-60.4	177.4	0	0	0	113.3	K112 R158 L159 K160 I164	K112-L162 HydrophobicContact CG-CD2 4.19Å; R158-L162 PolarHBondContact O-N 3.37Å; L159-L162 CarbonylContact O-C 3.56Å; L159-L162 WeakPolarHBondContact O-CA 3.5Å; L159-L162 WeakPolarHBondContact O-CB 3.36Å; L159-L162 PolarHBondContact O-N 3.26Å; K160-L162 VanDerWaalsContact C-N 3.26Å; K160-L162 PolarHBondContact O-N 3.45Å; L162-I164 HydrophobicContact CB-CD1 3.87Å; L162-I164 HydrophobicContact CB-CG1 4.14Å; L162-I164 HydrophobicContact CD1-CD1 4.11Å; L162-I164 PolarHBondContact O-N 2.81Å
163	G	91.8	Very high	95	Very high	67 Å²	67	52.8 Å²	52.8	69%	0.691	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	7.8	-174.2	0	0	0	0	0	114.4	L159 K160 V161 N165	L159-G163 PolarHBondContact O-N 3.02Å; K160-G163 PolarHBondContact O-N 3.47Å; V161-G163 PolarHBondContact O-N 2.88Å; G163-N165 PolarHBondContact O-N 3Å
164	I	94.5	Very high	95.1	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	26%	0.256	C	S	.	.			trans	-80.5	118.5	-178.7	-62.2	162.2	0	0	0	109.1	M103 N115 L159 L162 C166 L192	M103-I164 HydrophobicContact CB-CD1 4.22Å; M103-I164 HydrophobicContact CB-CG2 4.1Å; M103-I164 HydrophobicContact CE-CG2 4Å; M103-I164 HydrophobicContact SD-CG1 4.39Å; M103-I164 HydrophobicContact SD-CG2 3.96Å; N115-I164 HydrophobicContact CB-CD1 4.42Å; L159-I164 HydrophobicContact CB-CB 4.16Å; L159-I164 HydrophobicContact CB-CG2 4.4Å; L159-I164 HydrophobicContact CD2-CB 4.33Å; L159-I164 HydrophobicContact CD2-CD1 3.72Å; L159-I164 HydrophobicContact CD2-CG2 4.26Å; L159-I164 PolarHBondContact O-N 3.01Å; L162-I164 HydrophobicContact CB-CD1 3.87Å; L162-I164 HydrophobicContact CB-CG1 4.14Å; L162-I164 HydrophobicContact CD1-CD1 4.11Å; L162-I164 PolarHBondContact O-N 2.81Å; I164-C166 PolarHBondContact O-N 2.78Å; I164-L192 HydrophobicContact CG2-CD2 4.26Å
165	N	95	Very high	95.1	Very high	77 Å²	77	50.6 Å²	50.6	41%	0.412	27%	0.268	S	S	.	.			trans	-64.9	119.7	178.7	179.8	16.6	0	0	0	110.9	G163 P193 D194	G163-N165 PolarHBondContact O-N 3Å; N165-P193 VanDerWaalsContact ND2-CG 3.33Å; N165-P193 WeakPolarHBondContact ND2-CG 3.42Å; N165-D194 WeakPolarHBondContact CB-OD2 3.3Å; N165-D194 PolarHBondContact ND2-OD2 2.96Å
166	C	96.5	Very high	95.1	Very high	1 Å²	1	58 Å²	58	1%	0.007	30%	0.299	C	S	.	.			trans	-156.6	146.7	178.6	63.5	0	0	0	0	112	L159 K160 I164 L190 H191 L192	L159-C166 HydrophobicContact CD1-CB 4.37Å; K160-C166 WeakPolarHBondContact CE-O 3.48Å; K160-C166 PolarHBondContact NZ-O 3.2Å; I164-C166 PolarHBondContact O-N 2.78Å; C166-L190 HydrophobicContact CB-CD1 3.76Å; C166-H191 WeakPolarHBondContact CA-O 3.24Å; C166-L192 HydrophobicContact CB-CD2 4.3Å; C166-L192 HydrophobicContact CB-CG 4.21Å
167	N	96.4	Very high	95.1	Very high	69 Å²	69	61 Å²	61	37%	0.369	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.1	-173	-65.9	-66.7	0	0	0	111.1	I169 H191	N167-I169 HydrophobicContact CB-CG2 4.1Å; N167-H191 PolarHBondContact N-O 2.74Å; N167-H191 PolarHBondContact O-N 2.77Å
168	I	97.8	Very high	95.2	Very high	61 Å²	61	60.3 Å²	60.3	31%	0.313	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	117.8	169.6	-65.7	-68.5	0	0	0	107	F149 L152 K153 A156 A189 L190	F149-I168 HydrophobicContact CE2-CG2 3.52Å; F149-I168 HydrophobicContact CZ-CG2 3.47Å; F149-I168 VanDerWaalsContact CZ-CG2 3.47Å; L152-I168 HydrophobicContact CB-CD1 4.46Å; K153-I168 HydrophobicContact CG-CD1 3.97Å; K153-I168 HydrophobicContact CG-CG1 4.11Å; K153-I168 HydrophobicContact CG-CG2 4.39Å; A156-I168 HydrophobicContact CB-CD1 3.92Å; A156-I168 HydrophobicContact CB-CG1 3.99Å; I168-A189 WeakPolarHBondContact CA-O 3.24Å; I168-L190 HydrophobicContact CD1-CB 4.17Å; I168-L190 HydrophobicContact CD1-CD1 4.02Å
169	I	98	Very high	95.1	Very high	10 Å²	10	62 Å²	62	5%	0.051	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	155.4	-172.2	65.7	165.2	0	0	0	112.2	L140 N167 E173 I174 L177 G188 A189 H191	L140-I169 HydrophobicContact CD2-CD1 3.85Å; N167-I169 HydrophobicContact CB-CG2 4.1Å; I169-E173 HydrophobicContact CB-CB 4.08Å; I169-E173 HydrophobicContact CD1-CB 4.15Å; I169-I174 HydrophobicContact CD1-CG1 3.78Å; I169-I174 HydrophobicContact CG1-CG1 4.19Å; I169-L177 HydrophobicContact CD1-CD1 3.95Å; I169-G188 WeakPolarHBondContact O-CA 3.12Å; I169-A189 HydrophobicContact CD1-CB 4.49Å; I169-A189 HydrophobicContact CG1-CB 4.02Å; I169-A189 PolarHBondContact N-O 2.8Å; I169-A189 PolarHBondContact O-N 2.94Å; I169-H191 HydrophobicContact CD1-CB 3.96Å; I169-H191 HydrophobicContact CG1-CB 4.22Å; I169-H191 HydrophobicContact CG2-CB 4.2Å
170	K	97.6	Very high	95.1	Very high	152 Å²	152	63.3 Å²	63.3	66%	0.661	34%	0.335	S	S	*	.			trans	-87.6	159.8	179	-65.1	-178.8	-179.7	178.9	0	111.5	K172 E173 I174	K170-K172 VanDerWaalsContact C-N 3.26Å; K170-K172 PolarHBondContact O-N 3.01Å; K170-K172 VanDerWaalsContact O-N 3.12Å; K170-E173 WeakPolarHBondContact CB-OE2 3.28Å; K170-E173 PolarHBondContact N-OE2 3.32Å; K170-E173 WeakPolarHBondContact O-CB 3.48Å; K170-E173 PolarHBondContact O-N 3.34Å; K170-I174 PolarHBondContact O-N 3.49Å
171	P	97.7	Very high	95.3	Very high	28 Å²	28	58.5 Å²	58.5	18%	0.182	32%	0.315	C	S	.	.	H	α-helix	trans	-52.9	-37.1	-179.1	-28.9	35.9	0	0	0	115	E173 I174 A175 I183 L186	P171-E173 PolarHBondContact O-N 3.47Å; P171-I174 WeakPolarHBondContact O-CB 3.16Å; P171-I174 PolarHBondContact O-N 2.86Å; P171-A175 PolarHBondContact O-N 3.16Å; P171-I183 HydrophobicContact CB-CB 4.11Å; P171-I183 HydrophobicContact CB-CD1 4.19Å; P171-I183 WeakPolarHBondContact O-CD1 3.35Å; P171-L186 HydrophobicContact CB-CB 4.45Å; P171-L186 HydrophobicContact CG-CB 4.2Å; P171-L186 WeakPolarHBondContact CG-O 3.28Å
172	K	96.8	Very high	95.6	Very high	173 Å²	173	58.4 Å²	58.4	75%	0.752	31%	0.313	S	S	*	.	H	α-helix	trans	-65.3	-18.8	176.4	-66.8	-171.7	178.3	-175.5	0	114.6	K170 K176	K170-K172 VanDerWaalsContact C-N 3.26Å; K170-K172 PolarHBondContact O-N 3.01Å; K170-K172 VanDerWaalsContact O-N 3.12Å; K172-K176 WeakPolarHBondContact O-CG 3.4Å
173	E	97.3	Very high	95.9	Very high	83 Å²	83	57.7 Å²	57.7	39%	0.388	31%	0.309	S	S	.	.	H	α-helix	trans	-88.1	-33	175.8	-62.6	169.2	99.3	0	0	110.6	I169 K170 P171 A175 K176 L177	I169-E173 HydrophobicContact CB-CB 4.08Å; I169-E173 HydrophobicContact CD1-CB 4.15Å; K170-E173 WeakPolarHBondContact CB-OE2 3.28Å; K170-E173 PolarHBondContact N-OE2 3.32Å; K170-E173 WeakPolarHBondContact O-CB 3.48Å; K170-E173 PolarHBondContact O-N 3.34Å; P171-E173 PolarHBondContact O-N 3.47Å; E173-A175 PolarHBondContact O-N 3.03Å; E173-K176 WeakPolarHBondContact O-CB 3.41Å; E173-K176 PolarHBondContact O-N 3.09Å; E173-L177 WeakPolarHBondContact O-CG 3.13Å; E173-L177 PolarHBondContact O-N 3.5Å
174	I	97.5	Very high	96.1	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57	-50.3	173.1	-57.4	174.5	0	0	0	110.2	L140 L142 I169 K170 P171 K176 L177 H178 V181 I183 L186 A189	L140-I174 HydrophobicContact CD1-CG2 4.29Å; L142-I174 HydrophobicContact CD2-CD1 4.16Å; L142-I174 HydrophobicContact CD2-CG2 4.37Å; I169-I174 HydrophobicContact CD1-CG1 3.78Å; I169-I174 HydrophobicContact CG1-CG1 4.19Å; K170-I174 PolarHBondContact O-N 3.49Å; P171-I174 WeakPolarHBondContact O-CB 3.16Å; P171-I174 PolarHBondContact O-N 2.86Å; I174-K176 PolarHBondContact O-N 2.77Å; I174-L177 PolarHBondContact O-N 2.84Å; I174-H178 PolarHBondContact O-N 3.04Å; I174-V181 HydrophobicContact CG2-CB 4.4Å; I174-V181 HydrophobicContact CG2-CG1 3.82Å; I174-I183 HydrophobicContact CB-CG2 4Å; I174-I183 HydrophobicContact CG2-CG2 3.91Å; I174-L186 HydrophobicContact CD1-CD1 3.7Å; I174-A189 HydrophobicContact CD1-CB 3.53Å; I174-A189 HydrophobicContact CG1-CB 3.97Å
175	A	95.4	Very high	96.2	Very high	42 Å²	42	65.3 Å²	65.3	35%	0.347	33%	0.327	S	S	.	.	H	α-helix	trans	-64.3	-21.3	179.7	0	0	0	0	0	114.3	P171 E173 I183	P171-A175 PolarHBondContact O-N 3.16Å; E173-A175 PolarHBondContact O-N 3.03Å; A175-I183 HydrophobicContact CB-CD1 3.92Å; A175-I183 HydrophobicContact CB-CG1 4.45Å; A175-I183 HydrophobicContact CB-CG2 4.11Å
176	K	95.6	Very high	96.3	Very high	177 Å²	177	62.3 Å²	62.3	77%	0.77	31%	0.312	S	S	*	.	H	α-helix	trans	-78.2	-27.4	172.2	-66.7	176.9	-178	-176.4	0	112.6	K172 E173 I174	K172-K176 WeakPolarHBondContact O-CG 3.4Å; E173-K176 WeakPolarHBondContact O-CB 3.41Å; E173-K176 PolarHBondContact O-N 3.09Å; I174-K176 PolarHBondContact O-N 2.77Å
177	L	95.7	Very high	96.4	Very high	66 Å²	66	64.8 Å²	64.8	35%	0.346	33%	0.327	S	S	.	.	H	α-helix	trans	-91.9	-31.6	-178.3	-67.4	173.3	0	0	0	112.3	L140 I169 E173 I174 P294	L140-L177 HydrophobicContact CD1-CB 4.16Å; L140-L177 HydrophobicContact CD2-CD1 4.05Å; I169-L177 HydrophobicContact CD1-CD1 3.95Å; E173-L177 WeakPolarHBondContact O-CG 3.13Å; E173-L177 PolarHBondContact O-N 3.5Å; I174-L177 PolarHBondContact O-N 2.84Å; L177-P294 HydrophobicContact CB-CG 4.36Å; L177-P294 WeakPolarHBondContact O-CD 3.42Å
178	H	95.9	Very high	96.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.309	C	S	.	.			trans	-139.6	104.1	-180	-163.9	-54	0	0	0	111.2	L140 I174 L180 V181 T293 P294 I296	L140-H178 HydrophobicContact CD1-CB 4.22Å; I174-H178 PolarHBondContact O-N 3.04Å; H178-L180 PolarHBondContact ND1-N 3.08Å; H178-L180 PolarHBondContact O-N 2.71Å; H178-V181 HydrophobicContact CB-CB 4.46Å; H178-V181 HydrophobicContact CB-CG2 4.05Å; H178-V181 PolarHBondContact O-N 2.7Å; H178-T293 HydrophobicContact CB-CG2 4.36Å; H178-T293 VanDerWaalsContact CD2-CG2 3.44Å; H178-T293 WeakPolarHBondContact CD2-CG2 2.88Å; H178-P294 PolarHBondContact CD2-O 2.9Å; H178-P294 VanDerWaalsContact CD2-O 3.3Å; H178-I296 HydrophobicContact CB-CD1 4.15Å; H178-I296 VanDerWaalsContact CD2-CD1 3.48Å; H178-I296 WeakPolarHBondContact CD2-CD1 3.23Å
179	P	90.7	Very high	96.5	Very high	90 Å²	90	58.6 Å²	58.6	58%	0.584	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-31.2	-169.5	26	-34.5	0	0	0	113.9	V181 L289	P179-V181 VanDerWaalsContact C-N 3.31Å; P179-V181 PolarHBondContact O-N 3.04Å; P179-L289 HydrophobicContact CG-CD2 4.26Å
180	L	93.4	Very high	96.5	Very high	29 Å²	29	58.1 Å²	58.1	15%	0.152	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.3	-178.2	-53.1	-179.1	0	0	0	114.3	H178 N182 L285 L289 M355 H357 I358	H178-L180 PolarHBondContact ND1-N 3.08Å; H178-L180 PolarHBondContact O-N 2.71Å; L180-N182 PolarHBondContact O-N 3.4Å; L180-L285 HydrophobicContact CD1-CD1 3.97Å; L180-L289 HydrophobicContact CD1-CD1 3.99Å; L180-L289 HydrophobicContact CD1-CD2 3.74Å; L180-L289 HydrophobicContact CD1-CG 3.86Å; L180-L289 HydrophobicContact CG-CD2 3.89Å; L180-M355 WeakPolarHBondContact O-CA 3.26Å; L180-H357 HydrophobicContact CD2-CB 4.04Å; L180-I358 HydrophobicContact CD1-CG2 4.07Å
181	V	96.5	Very high	96.5	Very high	8 Å²	8	52.2 Å²	52.2	5%	0.048	27%	0.266	C	S	.	.			trans	-78.1	119.9	-175.6	166.8	0	0	0	0	110.4	L142 I174 H178 P179 I183 L186 I296 R354 M355	L142-V181 HydrophobicContact CD1-CG1 4.48Å; I174-V181 HydrophobicContact CG2-CB 4.4Å; I174-V181 HydrophobicContact CG2-CG1 3.82Å; H178-V181 HydrophobicContact CB-CB 4.46Å; H178-V181 HydrophobicContact CB-CG2 4.05Å; H178-V181 PolarHBondContact O-N 2.7Å; P179-V181 VanDerWaalsContact C-N 3.31Å; P179-V181 PolarHBondContact O-N 3.04Å; V181-I183 HydrophobicContact CG1-CG2 3.98Å; V181-I183 PolarHBondContact O-N 3.2Å; V181-L186 HydrophobicContact CG1-CD1 4.34Å; V181-I296 HydrophobicContact CG2-CD1 3.69Å; V181-I296 HydrophobicContact CG2-CG1 3.7Å; V181-R354 WeakPolarHBondContact CA-O 3.48Å; V181-M355 HydrophobicContact CG2-CE 4.06Å
182	N	97.1	Very high	96.5	Very high	41 Å²	41	50.9 Å²	50.9	22%	0.219	26%	0.258	C	S	.	.			trans	-62.1	127	161.9	179.4	7.6	0	0	0	109	L180 H184 R353 R354 P356	L180-N182 PolarHBondContact O-N 3.4Å; N182-H184 PolarHBondContact OD1-CD2 3.35Å; N182-H184 VanDerWaalsContact OD1-CD2 3.25Å; N182-H184 PolarHBondContact OD1-N 2.9Å; N182-H184 VanDerWaalsContact OD1-N 3.14Å; N182-R353 WeakPolarHBondContact CB-O 3.4Å; N182-R353 PolarHBondContact ND2-O 3.48Å; N182-R354 PolarHBondContact N-O 2.96Å; N182-R354 PolarHBondContact O-NH1 2.85Å; N182-P356 HydrophobicContact CB-CG 4.4Å
183	I	97.1	Very high	96.6	Very high	32 Å²	32	44.2 Å²	44.2	16%	0.164	23%	0.232	C	C	.	.			trans	-115.2	-1	-176.8	61.4	157.1	0	0	0	113.9	P171 I174 A175 V181 D185 L186	P171-I183 HydrophobicContact CB-CB 4.11Å; P171-I183 HydrophobicContact CB-CD1 4.19Å; P171-I183 WeakPolarHBondContact O-CD1 3.35Å; I174-I183 HydrophobicContact CB-CG2 4Å; I174-I183 HydrophobicContact CG2-CG2 3.91Å; A175-I183 HydrophobicContact CB-CD1 3.92Å; A175-I183 HydrophobicContact CB-CG1 4.45Å; A175-I183 HydrophobicContact CB-CG2 4.11Å; V181-I183 HydrophobicContact CG1-CG2 3.98Å; V181-I183 PolarHBondContact O-N 3.2Å; I183-D185 VanDerWaalsContact C-N 3.31Å; I183-D185 PolarHBondContact O-N 3.42Å; I183-L186 HydrophobicContact CB-CD1 4.42Å; I183-L186 HydrophobicContact CG2-CD1 4.27Å; I183-L186 PolarHBondContact O-N 3.27Å
184	H	95.9	Very high	96.5	Very high	178 Å²	178	42.5 Å²	42.5	82%	0.824	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.6	-167.3	-67.9	-65.9	0	0	0	114.1	N182	N182-H184 PolarHBondContact OD1-CD2 3.35Å; N182-H184 VanDerWaalsContact OD1-CD2 3.25Å; N182-H184 PolarHBondContact OD1-N 2.9Å; N182-H184 VanDerWaalsContact OD1-N 3.14Å
185	D	95.4	Very high	96.5	Very high	54 Å²	54	42.5 Å²	42.5	29%	0.289	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	1.7	177.2	65.6	-32.4	0	0	0	113.3	I183 R354	I183-D185 VanDerWaalsContact C-N 3.31Å; I183-D185 PolarHBondContact O-N 3.42Å; D185-R354 IonicContact OD1-CZ 3.58Å; D185-R354 IonicContact OD1-NH1 3.59Å; D185-R354 PolarHBondContact OD1-NH1 3.36Å; D185-R354 IonicContact OD1-NH2 3.52Å; D185-R354 IonicContact OD2-CZ 2.79Å; D185-R354 IonicContact OD2-NH1 3.41Å; D185-R354 PolarHBondContact OD2-NH1 3.01Å; D185-R354 IonicContact OD2-NH2 3.37Å; D185-R354 PolarHBondContact OD2-NH2 3.3Å
186	L	98	Very high	96.6	Very high	15 Å²	15	40.5 Å²	40.5	8%	0.079	21%	0.209	C	C	.	.			trans	-91.3	137.5	-175.4	-63.9	-177.7	0	0	0	112.5	L142 Q144 P171 I174 V181 I183	L142-L186 HydrophobicContact CB-CD2 4.06Å; L142-L186 HydrophobicContact CD1-CD1 4.07Å; L142-L186 HydrophobicContact CD1-CD2 4.33Å; L142-L186 HydrophobicContact CD2-CD1 4.2Å; Q144-L186 HydrophobicContact CG-CD2 4.05Å; P171-L186 HydrophobicContact CB-CB 4.45Å; P171-L186 HydrophobicContact CG-CB 4.2Å; P171-L186 WeakPolarHBondContact CG-O 3.28Å; I174-L186 HydrophobicContact CD1-CD1 3.7Å; V181-L186 HydrophobicContact CG1-CD1 4.34Å; I183-L186 HydrophobicContact CB-CD1 4.42Å; I183-L186 HydrophobicContact CG2-CD1 4.27Å; I183-L186 PolarHBondContact O-N 3.27Å
187	V	97.9	Very high	96.7	Very high	53 Å²	53	32.3 Å²	32.3	32%	0.321	17%	0.174	S	C	.	.			trans	-81.4	-35.5	168.5	179.6	0	0	0	0	110.7	A143 F149	A143-V187 PolarHBondContact O-N 3.08Å; F149-V187 HydrophobicContact CB-CB 4.47Å; F149-V187 HydrophobicContact CB-CG1 4.01Å; F149-V187 HydrophobicContact CD1-CG1 3.66Å; F149-V187 HydrophobicContact CE1-CG1 4.23Å; F149-V187 HydrophobicContact CG-CG1 3.89Å
188	G	98.1	Very high	96.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.3	-168	179.3	0	0	0	0	0	112.1	A143 I169	A143-G188 PolarHBondContact N-O 2.78Å; I169-G188 WeakPolarHBondContact O-CA 3.12Å
189	A	98.4	Very high	96.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	162	177.4	0	0	0	0	0	112.9	C141 L142 I168 I169 I174	C141-A189 CarbonylContact O-C 3.47Å; C141-A189 WeakPolarHBondContact O-CA 3.37Å; C141-A189 VanDerWaalsContact O-CB 3.27Å; C141-A189 WeakPolarHBondContact O-CB 3.43Å; L142-A189 HydrophobicContact CD2-CB 3.92Å; I168-A189 WeakPolarHBondContact CA-O 3.24Å; I169-A189 HydrophobicContact CD1-CB 4.49Å; I169-A189 HydrophobicContact CG1-CB 4.02Å; I169-A189 PolarHBondContact N-O 2.8Å; I169-A189 PolarHBondContact O-N 2.94Å; I174-A189 HydrophobicContact CD1-CB 3.53Å; I174-A189 HydrophobicContact CG1-CB 3.97Å
190	L	98.4	Very high	96.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117	160.9	173.3	59.3	0	0	0	108.4	C141 L152 L155 A156 L159 C166 I168 L192	C141-L190 HydrophobicContact CB-CB 4.27Å; C141-L190 PolarHBondContact N-O 2.82Å; C141-L190 PolarHBondContact O-N 2.98Å; L152-L190 HydrophobicContact CB-CB 4.18Å; L152-L190 HydrophobicContact CD1-CB 4.21Å; L152-L190 HydrophobicContact CD2-CB 4.11Å; L152-L190 HydrophobicContact CD2-CD2 4.35Å; L152-L190 HydrophobicContact CG-CB 4.41Å; L155-L190 HydrophobicContact CB-CD2 4.35Å; L155-L190 HydrophobicContact CD2-CD2 4.19Å; L155-L190 HydrophobicContact CG-CD2 4.12Å; A156-L190 HydrophobicContact CB-CD1 3.71Å; L159-L190 HydrophobicContact CD1-CD2 4.14Å; C166-L190 HydrophobicContact CB-CD1 3.76Å; I168-L190 HydrophobicContact CD1-CB 4.17Å; I168-L190 HydrophobicContact CD1-CD1 4.02Å; L190-L192 HydrophobicContact CD2-CD1 4.3Å; L190-L192 HydrophobicContact CG-CD1 4.03Å
191	H	98.4	Very high	96.8	Very high	28 Å²	28	28.4 Å²	28.4	13%	0.13	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125	176.2	175.1	-147.3	0	0	0	110.3	S139 L140 C166 N167 I169	S139-H191 WeakPolarHBondContact O-CA 3.14Å; S139-H191 PolarHBondContact O-CD2 2.7Å; L140-H191 HydrophobicContact CD2-CB 3.69Å; C166-H191 WeakPolarHBondContact CA-O 3.24Å; N167-H191 PolarHBondContact N-O 2.74Å; N167-H191 PolarHBondContact O-N 2.77Å; I169-H191 HydrophobicContact CD1-CB 3.96Å; I169-H191 HydrophobicContact CG1-CB 4.22Å; I169-H191 HydrophobicContact CG2-CB 4.2Å
192	L	97.9	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	96.7	171.4	-64.3	109.4	0	0	0	108.5	M103 A104 G138 S139 L159 I164 C166 L190 D194 D195	M103-L192 HydrophobicContact CB-CD2 4.46Å; A104-L192 HydrophobicContact CB-CD1 3.71Å; A104-L192 HydrophobicContact CB-CD2 3.98Å; G138-L192 CarbonylContact C-O 3.58Å; G138-L192 WeakPolarHBondContact CA-O 3.43Å; S139-L192 PolarHBondContact N-O 3.37Å; S139-L192 PolarHBondContact O-N 3.33Å; S139-L192 WeakPolarHBondContact OG-CD1 3.35Å; L159-L192 HydrophobicContact CD1-CD2 3.94Å; I164-L192 HydrophobicContact CG2-CD2 4.26Å; C166-L192 HydrophobicContact CB-CD2 4.3Å; C166-L192 HydrophobicContact CB-CG 4.21Å; L190-L192 HydrophobicContact CD2-CD1 4.3Å; L190-L192 HydrophobicContact CG-CD1 4.03Å; L192-D194 PolarHBondContact O-N 2.84Å; L192-D195 HydrophobicContact CB-CB 4.12Å; L192-D195 VanDerWaalsContact CB-CG 3.5Å; L192-D195 WeakPolarHBondContact CB-OD2 3.45Å; L192-D195 PolarHBondContact O-N 2.82Å
193	P	97.1	Very high	96.9	Very high	33 Å²	33	29.3 Å²	29.3	21%	0.214	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-15.6	-177.1	29.9	-37.2	0	0	0	113.4	K136 N165	K136-P193 VanDerWaalsContact CE-O 3.31Å; K136-P193 WeakPolarHBondContact CE-O 3.36Å; N165-P193 VanDerWaalsContact ND2-CG 3.33Å; N165-P193 WeakPolarHBondContact ND2-CG 3.42Å
194	D	95.9	Very high	96.9	Very high	46 Å²	46	28 Å²	28	25%	0.246	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-2.8	-177	-63.4	-45.8	0	0	0	113.4	M103 K136 N165 L192	M103-D194 HydrophobicContact CE-CB 3.74Å; K136-D194 WeakPolarHBondContact CE-OD1 3.22Å; K136-D194 IonicContact NZ-OD1 2.75Å; K136-D194 PolarHBondContact NZ-OD1 3.02Å; N165-D194 WeakPolarHBondContact CB-OD2 3.3Å; N165-D194 PolarHBondContact ND2-OD2 2.96Å; L192-D194 PolarHBondContact O-N 2.84Å
195	D	97.7	Very high	97	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.134	C	C	.	.			trans	-66.1	158.2	168	-81.2	-0.2	0	0	0	111.1	L101 S102 M103 T137 G138 S139 L192	L101-D195 WeakPolarHBondContact O-CB 3.47Å; S102-D195 VanDerWaalsContact CA-CG 3.47Å; S102-D195 WeakPolarHBondContact CA-OD1 3.35Å; S102-D195 VanDerWaalsContact CA-OD2 3.3Å; S102-D195 WeakPolarHBondContact CA-OD2 3.22Å; S102-D195 WeakPolarHBondContact CB-OD2 3.4Å; S102-D195 PolarHBondContact OG-OD2 3.39Å; M103-D195 VanDerWaalsContact CE-OD1 3.29Å; M103-D195 WeakPolarHBondContact CE-OD1 3.46Å; M103-D195 PolarHBondContact N-OD1 3.31Å; T137-D195 PolarHBondContact N-O 3.06Å; G138-D195 VanDerWaalsContact CA-O 3.3Å; G138-D195 WeakPolarHBondContact CA-O 3.23Å; G138-D195 PolarHBondContact N-O 3.33Å; S139-D195 WeakPolarHBondContact CB-OD2 3.2Å; S139-D195 PolarHBondContact OG-OD2 3.05Å; L192-D195 HydrophobicContact CB-CB 4.12Å; L192-D195 VanDerWaalsContact CB-CG 3.5Å; L192-D195 WeakPolarHBondContact CB-OD2 3.45Å; L192-D195 PolarHBondContact O-N 2.82Å
196	A	97.4	Very high	97.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	172.4	-169.7	0	0	0	0	0	113.2	L101 Y134 V135	L101-A196 WeakPolarHBondContact CA-O 3.48Å; L101-A196 HydrophobicContact CB-CB 4.43Å; L101-A196 WeakPolarHBondContact CB-O 3.44Å; L101-A196 HydrophobicContact CD1-CB 4.27Å; L101-A196 PolarHBondContact N-O 3.43Å; L101-A196 PolarHBondContact O-N 3.4Å; L101-A196 VanDerWaalsContact O-N 3.09Å; Y134-A196 HydrophobicContact CE1-CB 3.96Å; Y134-A196 HydrophobicContact CE2-CB 3.86Å; V135-A196 CarbonylContact O-C 3.39Å; V135-A196 WeakPolarHBondContact O-CA 3.21Å; V135-A196 WeakPolarHBondContact O-CB 3.39Å
197	V	97.2	Very high	97.1	Very high	5 Å²	5	20.8 Å²	20.8	3%	0.03	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.9	164.9	178.4	0	0	0	0	109.5	G99 Y134 V135 T137 V295 R306	G99-V197 VanDerWaalsContact O-CA 3.32Å; G99-V197 WeakPolarHBondContact O-CA 3.42Å; Y134-V197 WeakPolarHBondContact CA-O 3.47Å; V135-V197 PolarHBondContact N-O 3.15Å; V135-V197 PolarHBondContact O-N 3.21Å; T137-V197 HydrophobicContact CG2-CB 4.36Å; T137-V197 HydrophobicContact CG2-CG2 3.97Å; V197-V295 HydrophobicContact CG2-CG2 3.59Å; V197-R306 VanDerWaalsContact CG1-NH1 3.35Å
198	V	96.6	Very high	97.1	Very high	7 Å²	7	18.5 Å²	18.5	4%	0.042	10%	0.104	C	C	.	.			trans	-129	166	174.7	-70	0	0	0	0	111.1	G99 L101 Y121 Y134 V203 L401	G99-V198 WeakPolarHBondContact CA-O 3.16Å; G99-V198 PolarHBondContact O-N 3.5Å; L101-V198 HydrophobicContact CD1-CB 4.34Å; L101-V198 HydrophobicContact CD1-CG1 3.59Å; L101-V198 HydrophobicContact CD1-CG2 3.86Å; L101-V198 HydrophobicContact CD2-CG2 4.22Å; L101-V198 HydrophobicContact CG-CG2 3.97Å; Y121-V198 HydrophobicContact CD2-CG1 4.46Å; Y121-V198 HydrophobicContact CD2-CG2 4.32Å; Y134-V198 HydrophobicContact CD2-CG1 3.47Å; Y134-V198 VanDerWaalsContact CD2-CG1 3.47Å; Y134-V198 HydrophobicContact CE2-CG1 4.3Å; Y134-V198 HydrophobicContact CG-CG1 4.1Å; V198-V203 HydrophobicContact CB-CG2 3.83Å; V198-V203 HydrophobicContact CG1-CG2 4.27Å; V198-V203 HydrophobicContact CG2-CG2 3.95Å; V198-L401 HydrophobicContact CG2-CD1 3.8Å; V198-L401 HydrophobicContact CG2-CD2 3.79Å; V198-L401 HydrophobicContact CG2-CG 4.07Å
199	S	95.3	Very high	97.1	Very high	35 Å²	35	20 Å²	20	25%	0.245	11%	0.113	C	C	.	.			trans	-85.8	107.3	166.8	-177.1	0	0	0	0	109.8	T132 D202 V203	T132-S199 PolarHBondContact O-N 3.47Å; S199-D202 WeakPolarHBondContact CB-OD2 3.36Å; S199-D202 PolarHBondContact O-N 2.94Å; S199-D202 VanDerWaalsContact O-N 3.11Å; S199-D202 VanDerWaalsContact OG-CG 3.28Å; S199-D202 PolarHBondContact OG-OD2 3.29Å; S199-V203 WeakPolarHBondContact O-CG2 3.21Å; S199-V203 PolarHBondContact O-N 3.09Å
200	S	93.3	Very high	97.1	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.028	11%	0.114	C	C	.	.	H	α-helix	trans	-55.1	-42.3	-177.1	-38.1	0	0	0	0	114.2	T94 C97 N204	T94-S200 WeakPolarHBondContact O-CB 3.34Å; C97-S200 WeakPolarHBondContact CB-OG 3.32Å; C97-S200 PolarHBondContact O-OG 3.22Å; S200-N204 PolarHBondContact O-N 3.04Å
201	P	94.3	Very high	97.1	Very high	57 Å²	57	20.1 Å²	20.1	37%	0.37	11%	0.114	S	C	.	.	H	α-helix	trans	-64.2	-41.5	173.4	-20.3	32.8	0	0	0	113.2	R95 N204 H205	R95-P201 HydrophobicContact CB-CG 4.35Å; P201-N204 WeakPolarHBondContact O-CB 3.35Å; P201-N204 PolarHBondContact O-N 3.28Å; P201-H205 PolarHBondContact O-N 2.87Å
202	D	96.2	Very high	97.1	Very high	68 Å²	68	21.2 Å²	21.2	36%	0.364	13%	0.128	S	C	.	.	H	α-helix	trans	-75.2	-34.3	-173.3	-54.8	-40.2	0	0	0	111.8	K131 S199 N204 H205 A206	K131-D202 WeakPolarHBondContact O-CB 3.27Å; S199-D202 WeakPolarHBondContact CB-OD2 3.36Å; S199-D202 PolarHBondContact O-N 2.94Å; S199-D202 VanDerWaalsContact O-N 3.11Å; S199-D202 VanDerWaalsContact OG-CG 3.28Å; S199-D202 PolarHBondContact OG-OD2 3.29Å; D202-N204 VanDerWaalsContact C-N 3.35Å; D202-H205 PolarHBondContact O-N 2.83Å; D202-A206 WeakPolarHBondContact O-CB 3.29Å; D202-A206 PolarHBondContact O-N 2.88Å
203	V	97.8	Very high	97	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-44	168.6	174.3	0	0	0	0	111.1	I64 Y121 L124 T132 V198 S199 H205 A206 L207	I64-V203 HydrophobicContact CD1-CB 4.28Å; I64-V203 HydrophobicContact CD1-CG1 3.67Å; I64-V203 HydrophobicContact CG1-CG1 4.35Å; Y121-V203 HydrophobicContact CD1-CG1 3.48Å; Y121-V203 VanDerWaalsContact CD1-CG1 3.48Å; Y121-V203 HydrophobicContact CD2-CG1 3.93Å; Y121-V203 HydrophobicContact CD2-CG2 4.21Å; Y121-V203 HydrophobicContact CE1-CG1 3.51Å; Y121-V203 HydrophobicContact CE2-CG1 3.95Å; Y121-V203 HydrophobicContact CG-CG1 3.72Å; Y121-V203 HydrophobicContact CG-CG2 4.16Å; L124-V203 HydrophobicContact CD1-CG1 4.42Å; T132-V203 HydrophobicContact CG2-CG2 3.98Å; V198-V203 HydrophobicContact CB-CG2 3.83Å; V198-V203 HydrophobicContact CG1-CG2 4.27Å; V198-V203 HydrophobicContact CG2-CG2 3.95Å; S199-V203 WeakPolarHBondContact O-CG2 3.21Å; S199-V203 PolarHBondContact O-N 3.09Å; V203-H205 VanDerWaalsContact C-N 3.32Å; V203-H205 PolarHBondContact O-N 2.75Å; V203-A206 PolarHBondContact O-N 3.49Å; V203-L207 HydrophobicContact CG1-CD1 4.17Å; V203-L207 WeakPolarHBondContact O-CG 3.31Å; V203-L207 PolarHBondContact O-N 2.85Å
204	N	97.6	Very high	97	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-40.7	176.1	-175	54.3	0	0	0	111.7	G62 G63 I64 T67 G90 T94 S200 P201 D202 A208	G62-N204 PolarHBondContact O-ND2 3.02Å; G62-N204 VanDerWaalsContact O-ND2 3.1Å; G63-N204 PolarHBondContact O-OD1 2.85Å; I64-N204 WeakPolarHBondContact CA-OD1 3.34Å; I64-N204 HydrophobicContact CB-CB 4.34Å; I64-N204 PolarHBondContact N-OD1 2.81Å; I64-N204 VanDerWaalsContact N-OD1 3.09Å; T67-N204 VanDerWaalsContact CG2-OD1 3.24Å; T67-N204 WeakPolarHBondContact CG2-OD1 3.33Å; T67-N204 PolarHBondContact OG1-OD1 3Å; G90-N204 WeakPolarHBondContact CA-ND2 3.11Å; G90-N204 PolarHBondContact N-ND2 2.85Å; T94-N204 HydrophobicContact CG2-CB 3.97Å; S200-N204 PolarHBondContact O-N 3.04Å; P201-N204 WeakPolarHBondContact O-CB 3.35Å; P201-N204 PolarHBondContact O-N 3.28Å; D202-N204 VanDerWaalsContact C-N 3.35Å; N204-A208 WeakPolarHBondContact O-CB 3.22Å; N204-A208 PolarHBondContact O-N 2.86Å
205	H	97.3	Very high	97	Very high	96 Å²	96	31.2 Å²	31.2	44%	0.444	18%	0.178	S	C	.	.	H	α-helix	trans	-66.9	-42.8	176.7	-173.6	50.6	0	0	0	112.2	P201 D202 V203 L207 A208 V209	P201-H205 PolarHBondContact O-N 2.87Å; D202-H205 PolarHBondContact O-N 2.83Å; V203-H205 VanDerWaalsContact C-N 3.32Å; V203-H205 PolarHBondContact O-N 2.75Å; H205-L207 PolarHBondContact O-N 3.14Å; H205-A208 PolarHBondContact O-N 2.77Å; H205-V209 WeakPolarHBondContact O-CG2 3.38Å; H205-V209 PolarHBondContact O-N 2.98Å
206	A	98.2	Very high	97.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-46.4	175.4	0	0	0	0	0	111.6	L124 T128 V130 T132 D202 V203 A208 V209 A210	L124-A206 HydrophobicContact CB-CB 4.14Å; L124-A206 HydrophobicContact CD1-CB 4.15Å; T128-A206 HydrophobicContact CG2-CB 4.44Å; T128-A206 WeakPolarHBondContact CG2-O 3.31Å; V130-A206 HydrophobicContact CB-CB 3.94Å; V130-A206 HydrophobicContact CG1-CB 4.01Å; T132-A206 HydrophobicContact CG2-CB 4.17Å; D202-A206 WeakPolarHBondContact O-CB 3.29Å; D202-A206 PolarHBondContact O-N 2.88Å; V203-A206 PolarHBondContact O-N 3.49Å; A206-A208 PolarHBondContact O-N 2.82Å; A206-V209 PolarHBondContact O-N 2.94Å; A206-A210 WeakPolarHBondContact O-CB 3.09Å; A206-A210 PolarHBondContact O-N 2.84Å
207	L	98.6	Very high	97.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.4	-44.1	174.3	-73.1	167.7	0	0	0	112.3	I64 Y71 L120 Y121 L124 V203 H205 A210 A211	I64-L207 HydrophobicContact CG1-CD1 3.86Å; Y71-L207 HydrophobicContact CD1-CD2 3.91Å; Y71-L207 HydrophobicContact CE1-CD2 4.49Å; Y71-L207 HydrophobicContact CG-CD2 4.02Å; L120-L207 HydrophobicContact CD2-CD2 4.17Å; Y121-L207 HydrophobicContact CE1-CD1 4.38Å; L124-L207 HydrophobicContact CD1-CD2 3.84Å; L124-L207 HydrophobicContact CD1-CG 3.84Å; L124-L207 HydrophobicContact CD2-CD2 4.23Å; V203-L207 HydrophobicContact CG1-CD1 4.17Å; V203-L207 WeakPolarHBondContact O-CG 3.31Å; V203-L207 PolarHBondContact O-N 2.85Å; H205-L207 PolarHBondContact O-N 3.14Å; L207-A210 PolarHBondContact O-N 2.87Å; L207-A211 WeakPolarHBondContact O-CB 3.19Å; L207-A211 PolarHBondContact O-N 3.27Å
208	A	98.2	Very high	97.1	Very high	5 Å²	5	37.6 Å²	37.6	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-41.5	176.6	0	0	0	0	0	112.5	T67 L89 N204 H205 A206 A212 I218	T67-A208 HydrophobicContact CG2-CB 4.06Å; L89-A208 HydrophobicContact CD1-CB 4.24Å; N204-A208 WeakPolarHBondContact O-CB 3.22Å; N204-A208 PolarHBondContact O-N 2.86Å; H205-A208 PolarHBondContact O-N 2.77Å; A206-A208 PolarHBondContact O-N 2.82Å; A208-A212 VanDerWaalsContact O-CB 3.28Å; A208-A212 WeakPolarHBondContact O-CB 2.98Å; A208-A212 PolarHBondContact O-N 2.83Å; A208-I218 HydrophobicContact CB-CD1 3.89Å; A208-I218 WeakPolarHBondContact O-CD1 3.24Å
209	V	98.1	Very high	97.1	Very high	33 Å²	33	38.4 Å²	38.4	20%	0.2	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-42.3	175.5	168.7	0	0	0	0	111.2	V130 H205 A206 A212 R213	V130-V209 HydrophobicContact CG2-CB 4.46Å; V130-V209 HydrophobicContact CG2-CG1 4.48Å; V130-V209 HydrophobicContact CG2-CG2 4.24Å; H205-V209 WeakPolarHBondContact O-CG2 3.38Å; H205-V209 PolarHBondContact O-N 2.98Å; A206-V209 PolarHBondContact O-N 2.94Å; V209-A212 PolarHBondContact O-N 2.83Å; V209-R213 WeakPolarHBondContact O-CB 3.23Å; V209-R213 VanDerWaalsContact O-CG 3.31Å; V209-R213 WeakPolarHBondContact O-CG 3.43Å; V209-R213 PolarHBondContact O-N 3Å
210	A	97.8	Very high	97.1	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-44.6	177.3	0	0	0	0	0	111.9	Y71 L124 T128 A206 L207	Y71-A210 HydrophobicContact CD2-CB 3.43Å; Y71-A210 VanDerWaalsContact CD2-CB 3.43Å; Y71-A210 HydrophobicContact CE2-CB 3.54Å; L124-A210 HydrophobicContact CD2-CB 4.44Å; T128-A210 HydrophobicContact CG2-CB 3.74Å; A206-A210 WeakPolarHBondContact O-CB 3.09Å; A206-A210 PolarHBondContact O-N 2.84Å; L207-A210 PolarHBondContact O-N 2.87Å
211	A	98.3	Very high	97.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-48.6	174.6	0	0	0	0	0	112.1	A70 L207 R213 Q214 G215 V216	A70-A211 HydrophobicContact CB-CB 4.2Å; L207-A211 WeakPolarHBondContact O-CB 3.19Å; L207-A211 PolarHBondContact O-N 3.27Å; A211-R213 VanDerWaalsContact C-N 3.32Å; A211-R213 PolarHBondContact O-N 2.79Å; A211-Q214 CarbonylContact O-C 3.56Å; A211-Q214 PolarHBondContact O-N 3.38Å; A211-G215 PolarHBondContact O-N 3.01Å; A211-V216 HydrophobicContact CB-CB 4.06Å; A211-V216 HydrophobicContact CB-CG1 4.48Å; A211-V216 HydrophobicContact CB-CG2 3.88Å; A211-V216 WeakPolarHBondContact O-CB 3.44Å; A211-V216 WeakPolarHBondContact O-CG2 3.3Å; A211-V216 PolarHBondContact O-N 3.19Å
212	A	97.6	Very high	97.1	Very high	52 Å²	52	43.3 Å²	43.3	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-63.3	-35.1	-179.6	0	0	0	0	0	112.9	A208 V209 Q214 G215 I218	A208-A212 VanDerWaalsContact O-CB 3.28Å; A208-A212 WeakPolarHBondContact O-CB 2.98Å; A208-A212 PolarHBondContact O-N 2.83Å; V209-A212 PolarHBondContact O-N 2.83Å; A212-Q214 PolarHBondContact O-N 2.85Å; A212-G215 PolarHBondContact O-N 3.15Å; A212-I218 HydrophobicContact CB-CD1 4.34Å
213	R	97	Very high	97.1	Very high	159 Å²	159	41 Å²	41	60%	0.6	21%	0.213	S	C	*	.	H	α-helix	trans	-61.6	-22.4	172.7	-78.8	178.2	-176.9	-177.6	6.3	113.8	E127 T128 V209 A211	E127-R213 PolarHBondContact O-NH1 2.98Å; T128-R213 PolarHBondContact O-NH1 3.29Å; T128-R213 PolarHBondContact O-NH2 3.24Å; V209-R213 WeakPolarHBondContact O-CB 3.23Å; V209-R213 VanDerWaalsContact O-CG 3.31Å; V209-R213 WeakPolarHBondContact O-CG 3.43Å; V209-R213 PolarHBondContact O-N 3Å; A211-R213 VanDerWaalsContact C-N 3.32Å; A211-R213 PolarHBondContact O-N 2.79Å
214	Q	96.7	Very high	97	Very high	75 Å²	75	42 Å²	42	35%	0.35	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	11.6	177.5	-60.2	-179.5	34	0	0	112.4	A74 K75 A211 A212	A74-Q214 HydrophobicContact CB-CB 3.76Å; A74-Q214 PolarHBondContact O-OE1 2.98Å; K75-Q214 VanDerWaalsContact CA-OE1 3.25Å; A211-Q214 CarbonylContact O-C 3.56Å; A211-Q214 PolarHBondContact O-N 3.38Å; A212-Q214 PolarHBondContact O-N 2.85Å
215	G	96.8	Very high	96.9	Very high	55 Å²	55	47.3 Å²	47.3	57%	0.567	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	94	5.8	173.2	0	0	0	0	0	115.7	A211 A212 Q217	A211-G215 PolarHBondContact O-N 3.01Å; A212-G215 PolarHBondContact O-N 3.15Å; G215-Q217 PolarHBondContact O-N 2.92Å
216	V	98.4	Very high	96.8	Very high	8 Å²	8	46.4 Å²	46.4	5%	0.048	24%	0.24	C	C	.	.			trans	-64.2	126.9	172.4	179.1	0	0	0	0	110.2	A70 A74 I81 A211 I218	A70-V216 HydrophobicContact CB-CG1 4.09Å; A70-V216 HydrophobicContact CB-CG2 4.47Å; A74-V216 HydrophobicContact CB-CG2 3.79Å; I81-V216 HydrophobicContact CB-CG1 4.25Å; I81-V216 HydrophobicContact CB-CG2 4.01Å; I81-V216 HydrophobicContact CD1-CG2 4.06Å; I81-V216 HydrophobicContact CG2-CB 4.5Å; I81-V216 HydrophobicContact CG2-CG1 3.85Å; I81-V216 HydrophobicContact CG2-CG2 4.03Å; A211-V216 HydrophobicContact CB-CB 4.06Å; A211-V216 HydrophobicContact CB-CG1 4.48Å; A211-V216 HydrophobicContact CB-CG2 3.88Å; A211-V216 WeakPolarHBondContact O-CB 3.44Å; A211-V216 WeakPolarHBondContact O-CG2 3.3Å; A211-V216 PolarHBondContact O-N 3.19Å; V216-I218 HydrophobicContact CG1-CG1 3.93Å
217	Q	98.1	Very high	96.8	Very high	87 Å²	87	46.6 Å²	46.6	41%	0.407	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	120.8	171.8	-64.1	-176.7	53.3	0	0	109.3	I81 V82 L83 G215	I81-Q217 PolarHBondContact O-N 2.92Å; V82-Q217 CarbonylContact C-O 3.55Å; V82-Q217 WeakPolarHBondContact CA-O 3.4Å; V82-Q217 HydrophobicContact CG2-CB 4.31Å; L83-Q217 PolarHBondContact N-O 2.91Å; G215-Q217 PolarHBondContact O-N 2.92Å
218	I	97.8	Very high	96.7	Very high	44 Å²	44	48.5 Å²	48.5	23%	0.226	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	113.6	-179.9	-56.2	-178.4	0	0	0	108.5	L83 L89 A208 A212 V216	L83-I218 HydrophobicContact CB-CG1 4.32Å; L83-I218 HydrophobicContact CD2-CG2 4Å; L89-I218 HydrophobicContact CD1-CG2 3.92Å; L89-I218 HydrophobicContact CD2-CG2 3.69Å; L89-I218 HydrophobicContact CG-CG2 4.32Å; A208-I218 HydrophobicContact CB-CD1 3.89Å; A208-I218 WeakPolarHBondContact O-CD1 3.24Å; A212-I218 HydrophobicContact CB-CD1 4.34Å; V216-I218 HydrophobicContact CG1-CG1 3.93Å
219	L	96.9	Very high	96.7	Very high	24 Å²	24	49.4 Å²	49.4	13%	0.126	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	104.2	-177.1	-54.4	179.8	0	0	0	109.3	V51 V82 L83 L84 E85	V51-L219 HydrophobicContact CB-CD1 4.43Å; V51-L219 HydrophobicContact CG1-CD1 4.09Å; V82-L219 HydrophobicContact CG1-CD1 4.17Å; L83-L219 PolarHBondContact O-N 2.92Å; L84-L219 HydrophobicContact CD2-CB 3.97Å; L84-L219 HydrophobicContact CD2-CD1 3.98Å; L84-L219 HydrophobicContact CD2-CG 4.39Å; E85-L219 PolarHBondContact N-O 3.32Å
220	D	93.4	Very high	96.5	Very high	57 Å²	57	53.2 Å²	53.2	31%	0.305	27%	0.273	S	S	.	.	S	Bend	trans	-77.7	171.4	168.8	87.6	-24.5	0	0	0	110.9	E85 G87 T222	E85-D220 CarbonylContact O-C 3.46Å; E85-D220 VanDerWaalsContact O-C 3.25Å; E85-D220 WeakPolarHBondContact O-CA 3.42Å; G87-D220 WeakPolarHBondContact O-CB 3.35Å; D220-T222 PolarHBondContact O-N 2.93Å; D220-T222 VanDerWaalsContact O-N 3.11Å; D220-T222 PolarHBondContact O-OG1 3Å
221	R	94	Very high	96.1	Very high	141 Å²	141	63.4 Å²	63.4	53%	0.532	32%	0.317	S	S	.	.	S	Bend	trans	48.2	40.8	-178	-51.5	177.5	-164.5	-167.8	1.7	113.7	L48 E85 G87 R241	L48-R221 HydrophobicContact CD1-CB 4.21Å; E85-R221 PolarHBondContact O-N 2.93Å; G87-R221 PolarHBondContact O-N 2.62Å; R221-R241 WeakPolarHBondContact O-CD 3.5Å
222	T	95.3	Very high	95.8	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.006	33%	0.333	C	S	.	.			trans	-134.7	103.6	-177.4	-51.7	0	0	0	0	108.4	V51 L84 E85 D220 T239 R241	V51-T222 HydrophobicContact CG1-CG2 4.02Å; L84-T222 HydrophobicContact CD2-CG2 3.89Å; E85-T222 CarbonylContact C-O 3.49Å; E85-T222 PolarHBondContact O-N 3.02Å; D220-T222 PolarHBondContact O-N 2.93Å; D220-T222 VanDerWaalsContact O-N 3.11Å; D220-T222 PolarHBondContact O-OG1 3Å; T222-T239 HydrophobicContact CG2-CG2 4.1Å; T222-R241 HydrophobicContact CG2-CB 4.45Å; T222-R241 HydrophobicContact CG2-CG 4.48Å; T222-R241 PolarHBondContact OG1-NH1 3.07Å
223	A	94.8	Very high	95.7	Very high	19 Å²	19	66.7 Å²	66.7	16%	0.157	33%	0.332	C	S	.	.			trans	-92.1	122.7	-174.6	0	0	0	0	0	110.9	Q86 Q225 T239 D240	Q86-A223 HydrophobicContact CB-CB 3.88Å; A223-Q225 PolarHBondContact O-N 3.04Å; A223-T239 CarbonylContact O-C 3.57Å; A223-T239 VanDerWaalsContact O-CA 3.23Å; A223-T239 WeakPolarHBondContact O-CA 3.42Å; A223-T239 WeakPolarHBondContact O-CB 3.36Å; A223-D240 PolarHBondContact N-OD1 3.28Å; A223-D240 PolarHBondContact O-N 3.04Å; A223-D240 VanDerWaalsContact O-N 3.07Å
224	V	96.6	Very high	95.8	Very high	23 Å²	23	59.2 Å²	59.2	14%	0.139	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.9	168.7	177	0	0	0	0	109.2	C60 L84 V237 F249 L260	C60-V224 HydrophobicContact CB-CG2 4.09Å; L84-V224 HydrophobicContact CB-CG2 4.19Å; L84-V224 HydrophobicContact CD1-CG2 3.55Å; V224-V237 HydrophobicContact CB-CG1 4.26Å; V224-V237 HydrophobicContact CG1-CG1 3.54Å; V224-V237 HydrophobicContact CG2-CG1 3.79Å; V224-F249 HydrophobicContact CG1-CE2 4.45Å; V224-F249 HydrophobicContact CG1-CZ 4.29Å; V224-L260 HydrophobicContact CB-CD1 4.36Å; V224-L260 HydrophobicContact CG1-CD1 3.69Å
225	Q	95	Very high	95.8	Very high	113 Å²	113	59.5 Å²	59.5	53%	0.528	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-44.6	178.9	-59	-170	3.9	0	0	111.7	A223 E238 D240 A263	A223-Q225 PolarHBondContact O-N 3.04Å; Q225-E238 PolarHBondContact N-O 3.5Å; Q225-D240 VanDerWaalsContact NE2-CA 3.29Å; Q225-A263 WeakPolarHBondContact O-CB 3.28Å
226	Q	95.4	Very high	95.9	Very high	78 Å²	78	57.3 Å²	57.3	36%	0.364	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	162.5	178.7	58.4	176.4	-2.7	0	0	111.4	E238	Q226-E238 HydrophobicContact CG-CB 3.71Å; Q226-E238 HydrophobicContact CG-CG 3.93Å; Q226-E238 PolarHBondContact O-N 3.27Å
227	V	97.8	Very high	95.9	Very high	3 Å²	3	57 Å²	57	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.3	170.5	-175.6	0	0	0	0	108	V229 V234 F249 S264 Y390	V227-V229 HydrophobicContact CG1-CG2 4.32Å; V227-V234 HydrophobicContact CG1-CG1 3.93Å; V227-V234 HydrophobicContact CG1-CG2 4.04Å; V227-F249 HydrophobicContact CG1-CB 4.31Å; V227-F249 HydrophobicContact CG1-CG 4.34Å; V227-F249 HydrophobicContact CG2-CD1 3.6Å; V227-F249 HydrophobicContact CG2-CD2 4.13Å; V227-F249 HydrophobicContact CG2-CE1 3.51Å; V227-F249 HydrophobicContact CG2-CE2 4.05Å; V227-F249 HydrophobicContact CG2-CG 3.89Å; V227-F249 HydrophobicContact CG2-CZ 3.73Å; V227-S264 PolarHBondContact N-OG 3.34Å; V227-Y390 HydrophobicContact CB-CD2 4.42Å; V227-Y390 HydrophobicContact CB-CE2 4.09Å; V227-Y390 HydrophobicContact CG1-CD2 4.15Å; V227-Y390 HydrophobicContact CG1-CE2 4.31Å; V227-Y390 HydrophobicContact CG2-CD2 4.4Å; V227-Y390 HydrophobicContact CG2-CE2 3.77Å
228	V	97.7	Very high	95.9	Very high	40 Å²	40	55.5 Å²	55.5	24%	0.242	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	125.6	177.7	-174.8	0	0	0	0	108.4	M235 A236 E238	V228-M235 PolarHBondContact O-N 3.49Å; V228-A236 HydrophobicContact CB-CB 4.05Å; V228-A236 HydrophobicContact CG2-CB 4.13Å; V228-A236 PolarHBondContact N-O 3.02Å; V228-E238 HydrophobicContact CG2-CG 3.9Å
229	V	96.9	Very high	95.8	Very high	25 Å²	25	53.8 Å²	53.8	15%	0.152	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.2	-176.4	175.7	0	0	0	0	109.2	V227 Q233 V266 V387	V227-V229 HydrophobicContact CG1-CG2 4.32Å; V229-Q233 CarbonylContact C-O 3.24Å; V229-Q233 VanDerWaalsContact CA-O 3.26Å; V229-Q233 WeakPolarHBondContact CA-O 3.27Å; V229-V266 HydrophobicContact CB-CB 4.04Å; V229-V266 HydrophobicContact CB-CG2 3.88Å; V229-V266 HydrophobicContact CG1-CB 4.15Å; V229-V266 HydrophobicContact CG1-CG1 4.28Å; V229-V266 HydrophobicContact CG1-CG2 3.91Å; V229-V266 HydrophobicContact CG2-CB 4.33Å; V229-V387 HydrophobicContact CB-CG1 4.44Å; V229-V387 HydrophobicContact CG1-CG1 3.81Å; V229-V387 HydrophobicContact CG1-CG2 4.26Å; V229-V387 HydrophobicContact CG2-CG1 3.68Å; V229-V387 HydrophobicContact CG2-CG2 4.48Å
230	E	94.6	Very high	95.7	Very high	112 Å²	112	56.8 Å²	56.8	52%	0.523	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	138	173.1	-62.3	-167.6	-178.6	0	0	110.2	G232 Q233 M235	E230-G232 PolarHBondContact O-N 2.89Å; E230-Q233 PolarHBondContact N-O 2.95Å; E230-Q233 PolarHBondContact O-N 3.31Å; E230-M235 HydrophobicContact CB-CG 3.7Å; E230-M235 HydrophobicContact CG-CG 3.84Å
231	K	89.9	Confident	95.7	Very high	215 Å²	215	56.8 Å²	56.8	94%	0.935	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	23	177.1	-58	170.6	-174.1	160.6	0	114.5
232	G	91.4	Very high	95.8	Very high	32 Å²	32	51.6 Å²	51.6	33%	0.33	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	15.5	-177.6	0	0	0	0	0	115.2	E230 V387 S388	E230-G232 PolarHBondContact O-N 2.89Å; G232-V387 CarbonylContact O-C 3.53Å; G232-V387 WeakPolarHBondContact O-CA 3.48Å; G232-S388 PolarHBondContact O-N 2.92Å
233	Q	95.7	Very high	95.8	Very high	90 Å²	90	53.7 Å²	53.7	42%	0.421	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.5	176.7	-175.9	174.8	-11.1	0	0	111.1	V229 E230 S388	V229-Q233 CarbonylContact C-O 3.24Å; V229-Q233 VanDerWaalsContact CA-O 3.26Å; V229-Q233 WeakPolarHBondContact CA-O 3.27Å; E230-Q233 PolarHBondContact N-O 2.95Å; E230-Q233 PolarHBondContact O-N 3.31Å; Q233-S388 WeakPolarHBondContact CA-O 3.4Å
234	V	98.1	Very high	96	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	131.7	169.8	176.2	0	0	0	0	110.1	V227 F249 V387 S388 Y390	V227-V234 HydrophobicContact CG1-CG1 3.93Å; V227-V234 HydrophobicContact CG1-CG2 4.04Å; V234-F249 HydrophobicContact CG1-CB 4.05Å; V234-F249 HydrophobicContact CG2-CB 4.19Å; V234-V387 HydrophobicContact CG2-CG1 3.89Å; V234-S388 PolarHBondContact N-O 2.9Å; V234-Y390 HydrophobicContact CG2-CD2 4.36Å
235	M	98	Very high	96.1	Very high	82 Å²	82	57.9 Å²	57.9	40%	0.404	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-35.7	176.9	-63.7	-54.2	-54.6	0	0	113.3	V228 E230 C246	V228-M235 PolarHBondContact O-N 3.49Å; E230-M235 HydrophobicContact CB-CG 3.7Å; E230-M235 HydrophobicContact CG-CG 3.84Å; M235-C246 CarbonylContact C-O 3.56Å; M235-C246 VanDerWaalsContact C-O 3.3Å; M235-C246 PolarHBondContact O-N 3.42Å
236	A	98.1	Very high	96.3	Very high	9 Å²	9	52.9 Å²	52.9	7%	0.074	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	168.7	-179.3	0	0	0	0	0	112.2	V228 I244	V228-A236 HydrophobicContact CB-CB 4.05Å; V228-A236 HydrophobicContact CG2-CB 4.13Å; V228-A236 PolarHBondContact N-O 3.02Å; A236-I244 CarbonylContact C-O 3.44Å; A236-I244 WeakPolarHBondContact CA-O 3.45Å; A236-I244 WeakPolarHBondContact CB-O 3.28Å
237	V	98.1	Very high	96.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.9	172.2	179.9	0	0	0	0	109.3	V58 L84 V224 T239 S243 I244 F249	V58-V237 HydrophobicContact CB-CG2 3.95Å; V58-V237 HydrophobicContact CG1-CB 4.27Å; V58-V237 HydrophobicContact CG1-CG1 4.27Å; V58-V237 HydrophobicContact CG1-CG2 3.95Å; V58-V237 HydrophobicContact CG2-CG2 4.24Å; L84-V237 HydrophobicContact CD1-CG1 4.4Å; V224-V237 HydrophobicContact CB-CG1 4.26Å; V224-V237 HydrophobicContact CG1-CG1 3.54Å; V224-V237 HydrophobicContact CG2-CG1 3.79Å; V237-T239 HydrophobicContact CG1-CG2 4.4Å; V237-S243 WeakPolarHBondContact O-CA 3.36Å; V237-I244 PolarHBondContact N-O 2.88Å; V237-I244 PolarHBondContact O-N 3.18Å; V237-F249 HydrophobicContact CG1-CE2 4.16Å; V237-F249 HydrophobicContact CG2-CD2 3.45Å; V237-F249 VanDerWaalsContact CG2-CD2 3.45Å; V237-F249 HydrophobicContact CG2-CE2 3.82Å; V237-F249 HydrophobicContact CG2-CG 4.35Å
238	E	97.7	Very high	96.4	Very high	57 Å²	57	56.3 Å²	56.3	27%	0.266	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130	173.8	-66.7	-57.7	145.6	0	0	110.4	Q225 Q226 V228 S243	Q225-E238 PolarHBondContact N-O 3.5Å; Q226-E238 HydrophobicContact CG-CB 3.71Å; Q226-E238 HydrophobicContact CG-CG 3.93Å; Q226-E238 PolarHBondContact O-N 3.27Å; V228-E238 HydrophobicContact CG2-CG 3.9Å; E238-S243 VanDerWaalsContact CD-OG 3.27Å; E238-S243 WeakPolarHBondContact OE1-CB 3.43Å; E238-S243 PolarHBondContact OE1-OG 2.91Å; E238-S243 WeakPolarHBondContact OE2-CB 3.42Å
239	T	96.6	Very high	96.5	Very high	8 Å²	8	54.4 Å²	54.4	5%	0.049	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	168.2	176.3	77.1	0	0	0	0	111.1	L84 T222 A223 V237 R241 G242	L84-T239 HydrophobicContact CD1-CG2 3.67Å; T222-T239 HydrophobicContact CG2-CG2 4.1Å; A223-T239 CarbonylContact O-C 3.57Å; A223-T239 VanDerWaalsContact O-CA 3.23Å; A223-T239 WeakPolarHBondContact O-CA 3.42Å; A223-T239 WeakPolarHBondContact O-CB 3.36Å; V237-T239 HydrophobicContact CG1-CG2 4.4Å; T239-R241 PolarHBondContact O-N 3.19Å; T239-R241 PolarHBondContact OG1-N 2.84Å; T239-G242 WeakPolarHBondContact CB-O 3.42Å; T239-G242 PolarHBondContact N-O 3.38Å; T239-G242 PolarHBondContact O-N 3.02Å; T239-G242 PolarHBondContact OG1-N 3.49Å; T239-G242 PolarHBondContact OG1-O 3.49Å
240	D	94.5	Very high	96.6	Very high	87 Å²	87	53.2 Å²	53.2	47%	0.465	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-1.9	168	66.7	-34.9	0	0	0	114.8	A223 Q225	A223-D240 PolarHBondContact N-OD1 3.28Å; A223-D240 PolarHBondContact O-N 3.04Å; A223-D240 VanDerWaalsContact O-N 3.07Å; Q225-D240 VanDerWaalsContact NE2-CA 3.29Å
241	R	93.8	Very high	96.8	Very high	56 Å²	56	47.9 Å²	47.9	21%	0.211	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	5.6	-173.6	-59.7	179.5	63.2	-131.1	-16.4	113.8	L48 P49 V51 R221 T222 T239	L48-R241 VanDerWaalsContact CB-CZ 3.47Å; L48-R241 PolarHBondContact O-NH2 2.72Å; P49-R241 VanDerWaalsContact C-NH2 3.33Å; P49-R241 PolarHBondContact O-NH2 2.84Å; V51-R241 HydrophobicContact CG1-CB 3.97Å; R221-R241 WeakPolarHBondContact O-CD 3.5Å; T222-R241 HydrophobicContact CG2-CB 4.45Å; T222-R241 HydrophobicContact CG2-CG 4.48Å; T222-R241 PolarHBondContact OG1-NH1 3.07Å; T239-R241 PolarHBondContact O-N 3.19Å; T239-R241 PolarHBondContact OG1-N 2.84Å
242	G	94.9	Very high	97.1	Very high	32 Å²	32	38 Å²	38	33%	0.33	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	130.7	174.9	-178.4	0	0	0	0	0	113.2	T239	T239-G242 WeakPolarHBondContact CB-O 3.42Å; T239-G242 PolarHBondContact N-O 3.38Å; T239-G242 PolarHBondContact O-N 3.02Å; T239-G242 PolarHBondContact OG1-N 3.49Å; T239-G242 PolarHBondContact OG1-O 3.49Å
243	S	97.1	Very high	97.4	Very high	45 Å²	45	37 Å²	37	32%	0.315	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	151.2	175.4	-160.6	0	0	0	0	111.3	V237 E238	V237-S243 WeakPolarHBondContact O-CA 3.36Å; E238-S243 VanDerWaalsContact CD-OG 3.27Å; E238-S243 WeakPolarHBondContact OE1-CB 3.43Å; E238-S243 PolarHBondContact OE1-OG 2.91Å; E238-S243 WeakPolarHBondContact OE2-CB 3.42Å
244	I	98.5	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	113.5	172.5	-49	-176.3	0	0	0	107.7	V51 P52 A55 V58 V82 L84 A236 V237	V51-I244 HydrophobicContact CB-CD1 4Å; V51-I244 HydrophobicContact CB-CG1 4.05Å; V51-I244 HydrophobicContact CG1-CD1 4.47Å; V51-I244 HydrophobicContact CG2-CG1 4.11Å; P52-I244 HydrophobicContact CG-CD1 4.45Å; P52-I244 WeakPolarHBondContact O-CG1 3.22Å; P52-I244 WeakPolarHBondContact O-CG2 3.19Å; A55-I244 HydrophobicContact CB-CG2 3.77Å; V58-I244 HydrophobicContact CG2-CB 4.32Å; V58-I244 HydrophobicContact CG2-CG2 3.89Å; V82-I244 HydrophobicContact CG1-CD1 4.17Å; L84-I244 HydrophobicContact CD1-CD1 4.19Å; L84-I244 HydrophobicContact CD2-CD1 4.21Å; A236-I244 CarbonylContact C-O 3.44Å; A236-I244 WeakPolarHBondContact CA-O 3.45Å; A236-I244 WeakPolarHBondContact CB-O 3.28Å; V237-I244 PolarHBondContact N-O 2.88Å; V237-I244 PolarHBondContact O-N 3.18Å
245	E	98.6	Very high	96.9	Very high	130 Å²	130	34.3 Å²	34.3	61%	0.607	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	132.5	171.8	-66.5	-178.7	-173.3	0	0	110	G53 Q54 A55	G53-E245 PolarHBondContact O-N 2.94Å; Q54-E245 CarbonylContact C-O 3.38Å; Q54-E245 WeakPolarHBondContact CA-O 3.39Å; Q54-E245 HydrophobicContact CB-CB 4.4Å; A55-E245 PolarHBondContact N-O 3.07Å; A55-E245 VanDerWaalsContact O-O 3.09Å
246	C	98.4	Very high	96.6	Very high	9 Å²	9	32 Å²	32	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	150	179.2	68.9	0	0	0	0	115.1	A55 V58 M235	A55-C246 WeakPolarHBondContact O-CA 3.41Å; A55-C246 WeakPolarHBondContact O-CB 3.45Å; V58-C246 HydrophobicContact CG2-CB 3.88Å; M235-C246 CarbonylContact C-O 3.56Å; M235-C246 VanDerWaalsContact C-O 3.3Å; M235-C246 PolarHBondContact O-N 3.42Å
247	E	97.6	Very high	96.5	Very high	98 Å²	98	31.6 Å²	31.6	46%	0.458	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-32	175.1	-64.4	170	-139.6	0	0	112.9	R56	R56-E247 PolarHBondContact O-N 3.48Å
248	Y	98.6	Very high	96.3	Very high	55 Å²	55	32.4 Å²	32.4	22%	0.216	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.1	-172.5	-60.6	-83.8	0	0	0	112.1	R56 V57 V58 W78 G389 Y391 M415	R56-Y248 HydrophobicContact CG-CD2 4.37Å; R56-Y248 PolarHBondContact O-N 3.32Å; V57-Y248 VanDerWaalsContact CA-O 3.31Å; V57-Y248 WeakPolarHBondContact CA-O 3.14Å; V58-Y248 PolarHBondContact N-O 3.19Å; W78-Y248 HydrophobicContact CH2-CD1 4.48Å; W78-Y248 AromaticContact CH2-CD2 3.83Å; W78-Y248 HydrophobicContact CH2-CD2 3.83Å; W78-Y248 HydrophobicContact CH2-CE1 4.4Å; W78-Y248 AromaticContact CH2-CE2 3.77Å; W78-Y248 HydrophobicContact CH2-CE2 3.77Å; W78-Y248 HydrophobicContact CH2-CG 4.23Å; W78-Y248 AromaticContact CZ3-CD2 3.73Å; W78-Y248 HydrophobicContact CZ3-CD2 3.73Å; W78-Y248 HydrophobicContact CZ3-CE2 4.1Å; W78-Y248 HydrophobicContact CZ3-CG 4.14Å; Y248-G389 WeakPolarHBondContact CA-O 3.09Å; Y248-Y391 HydrophobicContact CD1-CD2 4.38Å; Y248-Y391 AromaticContact CD1-CE2 3.84Å; Y248-Y391 HydrophobicContact CD1-CE2 3.84Å; Y248-Y391 HydrophobicContact CE1-CE2 4.27Å; Y248-M415 HydrophobicContact CD1-CE 4.19Å; Y248-M415 HydrophobicContact CG-CE 4.16Å
249	F	98.8	Very high	96	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.5	170.4	-176	-109.5	0	0	0	110.8	V58 C60 V224 V227 V234 V237 N251 L260 G389 Y390 Y391	V58-F249 HydrophobicContact CB-CD2 4.18Å; V58-F249 HydrophobicContact CG1-CD2 4.2Å; V58-F249 HydrophobicContact CG1-CE2 4.21Å; V58-F249 CarbonylContact O-C 3.58Å; V58-F249 WeakPolarHBondContact O-CA 3.31Å; V58-F249 WeakPolarHBondContact O-CD2 3.35Å; C60-F249 HydrophobicContact CB-CE1 4.49Å; C60-F249 HydrophobicContact CB-CE2 3.78Å; C60-F249 HydrophobicContact CB-CZ 3.48Å; C60-F249 VanDerWaalsContact CB-CZ 3.48Å; V224-F249 HydrophobicContact CG1-CE2 4.45Å; V224-F249 HydrophobicContact CG1-CZ 4.29Å; V227-F249 HydrophobicContact CG1-CB 4.31Å; V227-F249 HydrophobicContact CG1-CG 4.34Å; V227-F249 HydrophobicContact CG2-CD1 3.6Å; V227-F249 HydrophobicContact CG2-CD2 4.13Å; V227-F249 HydrophobicContact CG2-CE1 3.51Å; V227-F249 HydrophobicContact CG2-CE2 4.05Å; V227-F249 HydrophobicContact CG2-CG 3.89Å; V227-F249 HydrophobicContact CG2-CZ 3.73Å; V234-F249 HydrophobicContact CG1-CB 4.05Å; V234-F249 HydrophobicContact CG2-CB 4.19Å; V237-F249 HydrophobicContact CG1-CE2 4.16Å; V237-F249 HydrophobicContact CG2-CD2 3.45Å; V237-F249 VanDerWaalsContact CG2-CD2 3.45Å; V237-F249 HydrophobicContact CG2-CE2 3.82Å; V237-F249 HydrophobicContact CG2-CG 4.35Å; F249-N251 HydrophobicContact CD1-CB 4.44Å; F249-N251 HydrophobicContact CE1-CB 3.9Å; F249-L260 HydrophobicContact CE1-CD2 4.22Å; F249-L260 HydrophobicContact CZ-CD2 4Å; F249-G389 PolarHBondContact N-O 3.19Å; F249-Y390 HydrophobicContact CD1-CD1 4.26Å; F249-Y390 AromaticContact CD1-CD2 3.93Å; F249-Y390 HydrophobicContact CD1-CD2 3.93Å; F249-Y390 AromaticContact CD1-CE1 3.98Å; F249-Y390 HydrophobicContact CD1-CE1 3.98Å; F249-Y390 AromaticContact CD1-CE2 3.65Å; F249-Y390 HydrophobicContact CD1-CE2 3.65Å; F249-Y390 HydrophobicContact CD1-CG 4.24Å; F249-Y390 AromaticContact CD1-CZ 3.67Å; F249-Y390 HydrophobicContact CE1-CE1 4.27Å; F249-Y390 AromaticContact CE1-CE2 3.98Å; F249-Y390 HydrophobicContact CE1-CE2 3.98Å; F249-Y390 AromaticContact CE1-CZ 3.74Å; F249-Y391 PolarHBondContact O-N 2.72Å
250	V	98.8	Very high	95.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	110.5	173.7	-163.3	0	0	0	0	111	V57 V58 I59 C60 V69 C252 Y391 L411 M415	V57-V250 HydrophobicContact CG2-CG2 3.93Å; V58-V250 PolarHBondContact O-N 3.13Å; I59-V250 HydrophobicContact CG1-CB 4.2Å; I59-V250 HydrophobicContact CG1-CG2 4.16Å; I59-V250 HydrophobicContact CG2-CB 4.44Å; C60-V250 PolarHBondContact N-O 3.32Å; V69-V250 HydrophobicContact CG1-CG1 4.36Å; V69-V250 HydrophobicContact CG1-CG2 4.44Å; V250-C252 PolarHBondContact O-N 2.6Å; V250-C252 VanDerWaalsContact O-N 3.16Å; V250-Y391 WeakPolarHBondContact CA-O 3.33Å; V250-L411 HydrophobicContact CG1-CD2 3.69Å; V250-M415 HydrophobicContact CG2-CE 3.63Å; V250-M415 HydrophobicContact CG2-SD 3.69Å
251	N	98.6	Very high	95.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	95	174.1	-173.2	-14.8	0	0	0	110.3	F249 A253 A257 Y390 Y391 V392 L393	F249-N251 HydrophobicContact CD1-CB 4.44Å; F249-N251 HydrophobicContact CE1-CB 3.9Å; N251-A253 WeakPolarHBondContact OD1-CB 3.37Å; N251-A253 PolarHBondContact OD1-N 3.42Å; N251-A257 PolarHBondContact ND2-O 2.82Å; N251-A257 VanDerWaalsContact ND2-O 3.1Å; N251-A257 WeakPolarHBondContact OD1-CA 3.36Å; N251-A257 WeakPolarHBondContact OD1-CB 3.42Å; N251-Y390 HydrophobicContact CB-CE1 3.74Å; N251-Y390 PolarHBondContact ND2-OH 2.93Å; N251-Y391 PolarHBondContact N-O 3.24Å; N251-V392 HydrophobicContact CB-CG2 4.3Å; N251-L393 PolarHBondContact O-N 3.14Å
252	C	98.3	Very high	95.7	Very high	8 Å²	8	28.8 Å²	28.8	5%	0.054	16%	0.155	C	C	.	.			trans	-105.5	20.6	171.6	-64.6	0	0	0	0	112	I59 C60 V65 V250 G254	I59-C252 HydrophobicContact CG2-CB 4.38Å; C60-C252 CarbonylContact O-C 3.33Å; C60-C252 WeakPolarHBondContact O-CA 3.3Å; C60-C252 WeakPolarHBondContact O-CB 3.1Å; C60-C252 PolarHBondContact O-N 2.8Å; V65-C252 HydrophobicContact CG1-CB 4.27Å; V250-C252 PolarHBondContact O-N 2.6Å; V250-C252 VanDerWaalsContact O-N 3.16Å; C252-G254 PolarHBondContact O-N 2.94Å
253	A	95.9	Very high	95.5	Very high	10 Å²	10	29.8 Å²	29.8	8%	0.083	16%	0.16	C	C	.	.			trans	-76.2	28.7	-166.7	0	0	0	0	0	114.4	C60 N251 Q255 W256 A257 L260	C60-A253 PolarHBondContact O-N 2.63Å; C60-A253 VanDerWaalsContact O-N 3.12Å; N251-A253 WeakPolarHBondContact OD1-CB 3.37Å; N251-A253 PolarHBondContact OD1-N 3.42Å; A253-Q255 PolarHBondContact O-N 3.26Å; A253-W256 HydrophobicContact CB-CB 4.26Å; A253-W256 WeakPolarHBondContact O-CA 3.45Å; A253-W256 WeakPolarHBondContact O-CB 3.19Å; A253-W256 PolarHBondContact O-N 3.39Å; A253-A257 HydrophobicContact CB-CB 4.32Å; A253-A257 PolarHBondContact O-N 3.19Å; A253-L260 HydrophobicContact CB-CD2 3.9Å
254	G	93.2	Very high	95.1	Very high	27 Å²	27	27.9 Å²	27.9	28%	0.278	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	49.8	-123.3	174.7	0	0	0	0	0	113.5	C252 W256 A257	C252-G254 PolarHBondContact O-N 2.94Å; G254-W256 VanDerWaalsContact C-N 3.3Å; G254-W256 PolarHBondContact O-N 2.95Å; G254-A257 WeakPolarHBondContact O-CB 3.49Å; G254-A257 PolarHBondContact O-N 3.32Å
255	Q	90.2	Very high	94.8	Very high	7 Å²	7	36.7 Å²	36.7	3%	0.033	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-64.9	-29.2	175.4	65.1	175.8	5.7	0	0	114	A253 A257 F325 I334	A253-Q255 PolarHBondContact O-N 3.26Å; Q255-A257 VanDerWaalsContact C-N 3.26Å; Q255-A257 PolarHBondContact O-N 2.78Å; Q255-F325 VanDerWaalsContact OE1-CE2 3.24Å; Q255-I334 HydrophobicContact CG-CD1 4.47Å; Q255-I334 VanDerWaalsContact NE2-CG1 3.31Å
256	W	93.2	Very high	94.5	Very high	35 Å²	35	33.2 Å²	33.2	13%	0.133	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-79.2	-6.9	-178.4	-58.2	-97.6	0	0	0	113.2	A253 G254 Y258 E259 L260 N330 Q331 I334	A253-W256 HydrophobicContact CB-CB 4.26Å; A253-W256 WeakPolarHBondContact O-CA 3.45Å; A253-W256 WeakPolarHBondContact O-CB 3.19Å; A253-W256 PolarHBondContact O-N 3.39Å; G254-W256 VanDerWaalsContact C-N 3.3Å; G254-W256 PolarHBondContact O-N 2.95Å; W256-Y258 PolarHBondContact O-N 2.85Å; W256-E259 WeakPolarHBondContact CA-OE2 3.45Å; W256-E259 PolarHBondContact O-N 3.19Å; W256-L260 WeakPolarHBondContact O-CB 3.33Å; W256-L260 PolarHBondContact O-N 3.03Å; W256-N330 VanDerWaalsContact CD1-CB 3.44Å; W256-N330 HydrophobicContact CG-CB 4.49Å; W256-N330 VanDerWaalsContact NE1-CB 3.28Å; W256-Q331 VanDerWaalsContact CE2-O 3.29Å; W256-Q331 VanDerWaalsContact CZ2-O 3.23Å; W256-Q331 WeakPolarHBondContact CZ2-O 3.46Å; W256-Q331 PolarHBondContact NE1-O 3.33Å; W256-I334 HydrophobicContact CH2-CD1 3.86Å; W256-I334 HydrophobicContact CH2-CG1 3.69Å; W256-I334 HydrophobicContact CZ2-CG1 4.15Å; W256-I334 HydrophobicContact CZ3-CD1 4.23Å
257	A	94.9	Very high	94.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-28.1	-176.6	0	0	0	0	0	112.9	N251 A253 G254 Q255 G261 V270 L272 A394	N251-A257 PolarHBondContact ND2-O 2.82Å; N251-A257 VanDerWaalsContact ND2-O 3.1Å; N251-A257 WeakPolarHBondContact OD1-CA 3.36Å; N251-A257 WeakPolarHBondContact OD1-CB 3.42Å; A253-A257 HydrophobicContact CB-CB 4.32Å; A253-A257 PolarHBondContact O-N 3.19Å; G254-A257 WeakPolarHBondContact O-CB 3.49Å; G254-A257 PolarHBondContact O-N 3.32Å; Q255-A257 VanDerWaalsContact C-N 3.26Å; Q255-A257 PolarHBondContact O-N 2.78Å; A257-G261 PolarHBondContact O-N 2.75Å; A257-G261 VanDerWaalsContact O-N 3.15Å; A257-V270 HydrophobicContact CB-CG1 4.01Å; A257-L272 HydrophobicContact CB-CD2 4.26Å; A257-A394 HydrophobicContact CB-CB 3.73Å
258	Y	93.7	Very high	94.1	Very high	16 Å²	16	35.5 Å²	35.5	6%	0.063	18%	0.183	C	C	.	.	H	α-helix	trans	-65.8	-55.6	171.8	-177.9	-83.6	0	0	0	111.2	W256 L260 G261 Q262 V270 S437 R439 L442	W256-Y258 PolarHBondContact O-N 2.85Å; Y258-L260 VanDerWaalsContact C-N 3.32Å; Y258-L260 PolarHBondContact O-N 3.31Å; Y258-G261 PolarHBondContact O-N 2.95Å; Y258-Q262 HydrophobicContact CD1-CG 4.23Å; Y258-Q262 HydrophobicContact CE1-CG 3.74Å; Y258-Q262 WeakPolarHBondContact O-CG 3.18Å; Y258-Q262 PolarHBondContact O-N 3.38Å; Y258-Q262 VanDerWaalsContact O-N 3.13Å; Y258-V270 VanDerWaalsContact CD2-O 3.3Å; Y258-V270 WeakPolarHBondContact CD2-O 3.46Å; Y258-S437 WeakPolarHBondContact CE2-O 3.22Å; Y258-S437 PolarHBondContact OH-O 3.37Å; Y258-R439 HydrophobicContact CE1-CG 3.97Å; Y258-R439 WeakPolarHBondContact OH-CG 3.35Å; Y258-L442 HydrophobicContact CD2-CD1 3.81Å; Y258-L442 HydrophobicContact CE2-CD1 3.44Å; Y258-L442 VanDerWaalsContact CE2-CD1 3.44Å
259	E	91.7	Very high	93.8	Very high	52 Å²	52	34 Å²	34	24%	0.243	18%	0.181	C	C	.	.	H	α-helix	trans	-59.2	-43.7	-178.9	-72.6	66.2	-144.1	0	0	111.6	W256 G261 Q262 A263 N330 R439	W256-E259 WeakPolarHBondContact CA-OE2 3.45Å; W256-E259 PolarHBondContact O-N 3.19Å; E259-G261 VanDerWaalsContact C-N 3.34Å; E259-G261 PolarHBondContact O-N 3.12Å; E259-Q262 CarbonylContact O-C 3.48Å; E259-Q262 WeakPolarHBondContact O-CA 3.43Å; E259-Q262 PolarHBondContact O-N 3.47Å; E259-A263 WeakPolarHBondContact O-CB 3.36Å; E259-A263 PolarHBondContact O-N 3.45Å; E259-N330 PolarHBondContact OE2-ND2 3.01Å; E259-N330 VanDerWaalsContact OE2-ND2 3.17Å; E259-R439 IonicContact OE1-NH2 3.39Å
260	L	93.1	Very high	93.7	Very high	16 Å²	16	34.1 Å²	34.1	8%	0.084	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-40.7	177.1	174.8	57.8	0	0	0	112.4	C60 V224 F249 A253 W256 Y258 Q262 A263	C60-L260 HydrophobicContact CB-CD2 4.14Å; V224-L260 HydrophobicContact CB-CD1 4.36Å; V224-L260 HydrophobicContact CG1-CD1 3.69Å; F249-L260 HydrophobicContact CE1-CD2 4.22Å; F249-L260 HydrophobicContact CZ-CD2 4Å; A253-L260 HydrophobicContact CB-CD2 3.9Å; W256-L260 WeakPolarHBondContact O-CB 3.33Å; W256-L260 PolarHBondContact O-N 3.03Å; Y258-L260 VanDerWaalsContact C-N 3.32Å; Y258-L260 PolarHBondContact O-N 3.31Å; L260-Q262 PolarHBondContact O-N 3.3Å; L260-A263 PolarHBondContact O-N 3.42Å
261	G	93.4	Very high	93.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.7	-26.2	172.2	0	0	0	0	0	113.4	A257 Y258 E259 V268	A257-G261 PolarHBondContact O-N 2.75Å; A257-G261 VanDerWaalsContact O-N 3.15Å; Y258-G261 PolarHBondContact O-N 2.95Å; E259-G261 VanDerWaalsContact C-N 3.34Å; E259-G261 PolarHBondContact O-N 3.12Å; G261-V268 CarbonylContact C-O 3.53Å; G261-V268 PolarHBondContact O-N 3.05Å
262	Q	92.3	Very high	93.3	Very high	65 Å²	65	34.2 Å²	34.2	30%	0.304	18%	0.182	S	C	.	.	H	α-helix	trans	-94.6	-10.2	177.7	-62.1	-57.3	-69.2	0	0	114.5	Y258 E259 L260 V268	Y258-Q262 HydrophobicContact CD1-CG 4.23Å; Y258-Q262 HydrophobicContact CE1-CG 3.74Å; Y258-Q262 WeakPolarHBondContact O-CG 3.18Å; Y258-Q262 PolarHBondContact O-N 3.38Å; Y258-Q262 VanDerWaalsContact O-N 3.13Å; E259-Q262 CarbonylContact O-C 3.48Å; E259-Q262 WeakPolarHBondContact O-CA 3.43Å; E259-Q262 PolarHBondContact O-N 3.47Å; L260-Q262 PolarHBondContact O-N 3.3Å; Q262-V268 PolarHBondContact NE2-O 3.18Å
263	A	90.5	Very high	93.1	Very high	52 Å²	52	34.8 Å²	34.8	43%	0.43	18%	0.184	S	C	.	.	H	α-helix	trans	-81.4	-24.2	-175.4	0	0	0	0	0	113.9	Q225 E259 L260	Q225-A263 WeakPolarHBondContact O-CB 3.28Å; E259-A263 WeakPolarHBondContact O-CB 3.36Å; E259-A263 PolarHBondContact O-N 3.45Å; L260-A263 PolarHBondContact O-N 3.42Å
264	S	89.4	Confident	92.9	Very high	5 Å²	5	34.6 Å²	34.6	4%	0.035	18%	0.184	C	C	.	.	S	Bend	trans	-83.5	153.9	-179.4	-49.9	0	0	0	0	111.4	V227 V266	V227-S264 PolarHBondContact N-OG 3.34Å; S264-V266 PolarHBondContact O-N 2.62Å
265	E	90.6	Very high	92.9	Very high	185 Å²	185	33.3 Å²	33.3	86%	0.864	17%	0.17	S	C	*	.	S	Bend	trans	-56.6	-49.1	176.8	-176.9	177.8	-177.8	0	0	111.4	K267	E265-K267 PolarHBondContact O-N 2.65Å
266	V	92.9	Very high	93	Very high	58 Å²	58	34.6 Å²	34.6	35%	0.352	18%	0.176	S	C	.	.	S	Bend	trans	-81.4	101.4	168.5	-176.3	0	0	0	0	108.9	V229 S264 V387	V229-V266 HydrophobicContact CB-CB 4.04Å; V229-V266 HydrophobicContact CB-CG2 3.88Å; V229-V266 HydrophobicContact CG1-CB 4.15Å; V229-V266 HydrophobicContact CG1-CG1 4.28Å; V229-V266 HydrophobicContact CG1-CG2 3.91Å; V229-V266 HydrophobicContact CG2-CB 4.33Å; S264-V266 PolarHBondContact O-N 2.62Å; V266-V387 HydrophobicContact CG1-CG2 3.64Å
267	K	93.4	Very high	93	Very high	147 Å²	147	33.6 Å²	33.6	64%	0.639	17%	0.173	S	C	*	.			trans	-70.2	131.5	-177.3	-64.4	-179.6	-179.6	-178.6	0	112.3	E265	E265-K267 PolarHBondContact O-N 2.65Å
268	V	93.8	Very high	93	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.042	17%	0.173	C	C	.	.			trans	-105.6	133.1	174.9	176.8	0	0	0	0	110.6	G261 Q262 V270 T384 V387 Y390	G261-V268 CarbonylContact C-O 3.53Å; G261-V268 PolarHBondContact O-N 3.05Å; Q262-V268 PolarHBondContact NE2-O 3.18Å; V268-V270 HydrophobicContact CG1-CG2 3.88Å; V268-V270 PolarHBondContact O-N 2.67Å; V268-T384 HydrophobicContact CG1-CG2 3.43Å; V268-T384 VanDerWaalsContact CG1-CG2 3.43Å; V268-V387 HydrophobicContact CG2-CG2 4.15Å; V268-Y390 HydrophobicContact CB-CE1 4.46Å; V268-Y390 HydrophobicContact CB-CE2 4.4Å; V268-Y390 HydrophobicContact CG1-CD1 4.23Å; V268-Y390 HydrophobicContact CG1-CE1 3.93Å; V268-Y390 HydrophobicContact CG2-CD1 4.48Å; V268-Y390 HydrophobicContact CG2-CD2 3.87Å; V268-Y390 HydrophobicContact CG2-CE1 4.41Å; V268-Y390 HydrophobicContact CG2-CE2 3.77Å; V268-Y390 HydrophobicContact CG2-CG 4.23Å
269	S	93.5	Very high	93.1	Very high	25 Å²	25	33.7 Å²	33.7	18%	0.175	17%	0.173	C	C	.	.			trans	-83.4	105.9	179.1	-175.4	0	0	0	0	110.4	S437	S269-S437 WeakPolarHBondContact OG-CB 3.37Å; S269-S437 PolarHBondContact OG-OG 3.01Å
270	V	95.4	Very high	93.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	16%	0.163	C	C	.	.			trans	-122.7	81.8	178.3	-173.4	0	0	0	0	109.5	A257 Y258 V268 L272 L380 V392	A257-V270 HydrophobicContact CB-CG1 4.01Å; Y258-V270 VanDerWaalsContact CD2-O 3.3Å; Y258-V270 WeakPolarHBondContact CD2-O 3.46Å; V268-V270 HydrophobicContact CG1-CG2 3.88Å; V268-V270 PolarHBondContact O-N 2.67Å; V270-L272 HydrophobicContact CG1-CD2 4.35Å; V270-L272 PolarHBondContact O-N 2.86Å; V270-L380 HydrophobicContact CG1-CD1 3.67Å; V270-V392 HydrophobicContact CG1-CG1 4.04Å; V270-V392 HydrophobicContact CG2-CG2 4.06Å
271	P	95.1	Very high	93.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.			trans	-73.7	92.7	-167.8	27.3	-34.2	0	0	0	112.8	P375 L380 F432 Q436 S437 L442	P271-P375 HydrophobicContact CB-CG 4Å; P271-P375 WeakPolarHBondContact O-CD 3.46Å; P271-L380 HydrophobicContact CG-CD1 4.25Å; P271-L380 HydrophobicContact CG-CD2 4.05Å; P271-F432 HydrophobicContact CG-CB 3.99Å; P271-F432 HydrophobicContact CG-CD2 3.47Å; P271-F432 VanDerWaalsContact CG-CD2 3.47Å; P271-F432 HydrophobicContact CG-CE2 4.06Å; P271-F432 HydrophobicContact CG-CG 3.82Å; P271-Q436 WeakPolarHBondContact CB-O 3.39Å; P271-S437 WeakPolarHBondContact CB-OG 3.33Å; P271-S437 WeakPolarHBondContact CD-OG 2.97Å; P271-L442 HydrophobicContact CB-CD2 4.06Å
272	L	95.2	Very high	93.7	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.163	C	C	.	.			trans	-145.7	164.1	169.6	62.5	75.2	0	0	0	112.3	A257 V270 F373 T374 L380 A394	A257-L272 HydrophobicContact CB-CD2 4.26Å; V270-L272 HydrophobicContact CG1-CD2 4.35Å; V270-L272 PolarHBondContact O-N 2.86Å; L272-F373 CarbonylContact C-O 3.57Å; L272-F373 WeakPolarHBondContact CA-O 3.44Å; L272-F373 WeakPolarHBondContact CB-O 3.27Å; L272-T374 HydrophobicContact CB-CG2 4.29Å; L272-L380 HydrophobicContact CD2-CD1 4.49Å; L272-A394 HydrophobicContact CD2-CB 3.83Å
273	H	93.8	Very high	93.8	Very high	20 Å²	20	32.6 Å²	32.6	9%	0.093	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150	177.9	-151.4	67.2	0	0	0	112.2	S372 F373 L442 V446	H273-S372 WeakPolarHBondContact O-CA 3.42Å; H273-F373 PolarHBondContact N-O 3.33Å; H273-F373 PolarHBondContact O-N 3.49Å; H273-L442 HydrophobicContact CB-CB 4.13Å; H273-V446 HydrophobicContact CB-CB 4.19Å; H273-V446 HydrophobicContact CB-CG1 4.26Å
274	G	92.1	Very high	94	Very high	7 Å²	7	34.6 Å²	34.6	7%	0.072	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	143.7	174.5	0	0	0	0	0	113	I324 E371	G274-I324 VanDerWaalsContact C-CG1 3.45Å; G274-I324 PolarHBondContact O-N 3.41Å; G274-I324 VanDerWaalsContact O-N 3.1Å; G274-E371 CarbonylContact C-O 3.44Å; G274-E371 WeakPolarHBondContact CA-O 3.32Å
275	C	92.6	Very high	94.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	152.1	169.7	-177.4	0	0	0	0	110.2	P321 K322 E371 F373 V446	C275-P321 VanDerWaalsContact SG-CB 3.55Å; C275-K322 WeakPolarHBondContact CA-O 3.5Å; C275-K322 PolarHBondContact SG-O 2.84Å; C275-E371 PolarHBondContact N-O 3.16Å; C275-E371 PolarHBondContact O-N 3.26Å; C275-F373 HydrophobicContact CB-CD2 3.77Å; C275-F373 HydrophobicContact CB-CE2 3.73Å; C275-V446 HydrophobicContact CB-CG2 3.71Å
276	E	93.3	Very high	94	Very high	34 Å²	34	35.4 Å²	35.4	16%	0.159	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	145.5	166.8	-53.8	-165.4	-174.7	0	0	110.7	F278 K322 I324 M337 N368	E276-F278 HydrophobicContact CB-CE2 3.73Å; E276-F278 HydrophobicContact CB-CZ 4.18Å; E276-F278 VanDerWaalsContact OE2-CZ 3.28Å; E276-F278 WeakPolarHBondContact OE2-CZ 3.1Å; E276-K322 HydrophobicContact CB-CB 4.09Å; E276-K322 HydrophobicContact CG-CB 3.76Å; E276-K322 HydrophobicContact CG-CD 4.27Å; E276-K322 PolarHBondContact N-O 2.93Å; E276-K322 WeakPolarHBondContact OE2-CD 3.34Å; E276-K322 IonicContact OE2-NZ 3.34Å; E276-I324 HydrophobicContact CG-CG2 3.48Å; E276-I324 VanDerWaalsContact CG-CG2 3.48Å; E276-M337 HydrophobicContact CB-CE 3.99Å; E276-M337 HydrophobicContact CG-CE 3.61Å; E276-N368 WeakPolarHBondContact CB-OD1 3.34Å; E276-N368 PolarHBondContact OE2-ND2 2.97Å
277	H	93.3	Very high	93.8	Very high	13 Å²	13	40.8 Å²	40.8	6%	0.06	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	134.2	176.4	-178.4	77.3	0	0	0	109.8	Y304 G316 F317 C369 E371	H277-Y304 PolarHBondContact NE2-OH 3.26Å; H277-Y304 VanDerWaalsContact NE2-OH 3.09Å; H277-G316 PolarHBondContact CE1-O 2.83Å; H277-F317 AromaticContact ND1-CE1 3.98Å; H277-C369 PolarHBondContact N-O 2.94Å; H277-C369 PolarHBondContact O-N 3.2Å; H277-C369 PolarHBondContact O-SG 2.86Å; H277-E371 HydrophobicContact CB-CB 4.34Å
278	F	94.4	Very high	93.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.2	-169.3	-63.8	-98.3	0	0	0	113.3	E276 G315 E318 D340 H343 F344 M347 L366 V367 N368	E276-F278 HydrophobicContact CB-CE2 3.73Å; E276-F278 HydrophobicContact CB-CZ 4.18Å; E276-F278 VanDerWaalsContact OE2-CZ 3.28Å; E276-F278 WeakPolarHBondContact OE2-CZ 3.1Å; F278-G315 WeakPolarHBondContact O-CA 3.38Å; F278-E318 VanDerWaalsContact CD2-OE1 3.26Å; F278-E318 WeakPolarHBondContact CD2-OE1 3.29Å; F278-E318 WeakPolarHBondContact CD2-OE2 3.25Å; F278-D340 HydrophobicContact CE1-CB 4.12Å; F278-D340 HydrophobicContact CZ-CB 4.34Å; F278-H343 AromaticContact CE2-CD2 3.59Å; F278-H343 AromaticContact CZ-CD2 3.99Å; F278-F344 HydrophobicContact CB-CD2 3.68Å; F278-F344 HydrophobicContact CB-CE2 4.1Å; F278-F344 HydrophobicContact CG-CD2 4.45Å; F278-M347 HydrophobicContact CB-CE 4.12Å; F278-L366 HydrophobicContact CD1-CD1 4.37Å; F278-V367 WeakPolarHBondContact CA-O 3.32Å; F278-N368 HydrophobicContact CD1-CB 3.88Å; F278-N368 HydrophobicContact CE1-CB 3.58Å; F278-N368 WeakPolarHBondContact CE1-ND2 3.14Å; F278-N368 HydrophobicContact CZ-CB 4.24Å; F278-N368 VanDerWaalsContact CZ-CG 3.46Å; F278-N368 VanDerWaalsContact CZ-ND2 3.33Å; F278-N368 WeakPolarHBondContact CZ-ND2 3.35Å
279	Y	95.7	Very high	93.1	Very high	19 Å²	19	38.2 Å²	38.2	8%	0.075	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	141.4	163	65.9	-92.6	0	0	0	112.8	L96 L281 L313 S314 V367	L96-Y279 VanDerWaalsContact O-CE1 3.24Å; L96-Y279 WeakPolarHBondContact O-CE1 3.43Å; Y279-L281 HydrophobicContact CD2-CD2 3.97Å; Y279-L281 HydrophobicContact CD2-CG 4.11Å; Y279-L281 HydrophobicContact CE2-CD1 4.13Å; Y279-L281 HydrophobicContact CE2-CD2 3.86Å; Y279-L281 HydrophobicContact CE2-CG 3.93Å; Y279-L313 HydrophobicContact CD2-CD1 4.16Å; Y279-L313 HydrophobicContact CD2-CD2 4.28Å; Y279-L313 HydrophobicContact CD2-CG 3.94Å; Y279-L313 HydrophobicContact CE2-CD1 4.23Å; Y279-L313 HydrophobicContact CE2-CG 4.48Å; Y279-L313 HydrophobicContact CG-CD2 4.47Å; Y279-S314 CarbonylContact C-O 3.41Å; Y279-S314 VanDerWaalsContact CA-O 3.3Å; Y279-S314 WeakPolarHBondContact CA-O 3.49Å; Y279-V367 HydrophobicContact CD1-CB 4.11Å; Y279-V367 HydrophobicContact CD1-CG1 4.34Å; Y279-V367 HydrophobicContact CD2-CB 4.07Å; Y279-V367 HydrophobicContact CD2-CG2 4.21Å; Y279-V367 HydrophobicContact CE1-CB 3.75Å; Y279-V367 HydrophobicContact CE1-CG1 3.62Å; Y279-V367 HydrophobicContact CE1-CG2 4.42Å; Y279-V367 HydrophobicContact CE2-CB 3.7Å; Y279-V367 HydrophobicContact CE2-CG1 4.28Å; Y279-V367 HydrophobicContact CE2-CG2 3.56Å; Y279-V367 HydrophobicContact CG-CB 4.27Å; Y279-V367 PolarHBondContact N-O 2.94Å; Y279-V367 PolarHBondContact O-N 2.85Å
280	L	96.7	Very high	92.9	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.031	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	141.1	174.4	-172.2	70.8	0	0	0	110.7	L313 S314 W341 F344 L348 L351 I363 L366	L280-L313 WeakPolarHBondContact O-CA 3.26Å; L280-S314 PolarHBondContact N-O 2.8Å; L280-S314 PolarHBondContact O-N 2.87Å; L280-W341 HydrophobicContact CD1-CH2 3.63Å; L280-W341 HydrophobicContact CD1-CZ3 3.95Å; L280-F344 HydrophobicContact CB-CE1 3.85Å; L280-F344 HydrophobicContact CB-CZ 3.61Å; L280-F344 HydrophobicContact CD1-CE1 4.48Å; L280-F344 HydrophobicContact CD2-CE1 4.25Å; L280-F344 HydrophobicContact CG-CE1 4.44Å; L280-L348 HydrophobicContact CD2-CD1 4.16Å; L280-L351 HydrophobicContact CD2-CD2 4.29Å; L280-I363 HydrophobicContact CD1-CD1 4.2Å; L280-I363 HydrophobicContact CD1-CG1 4.11Å; L280-I363 HydrophobicContact CD1-CG2 3.85Å; L280-L366 HydrophobicContact CD1-CB 4.47Å
281	L	96.5	Very high	92.6	Very high	10 Å²	10	44 Å²	44	5%	0.052	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.5	166.4	-60.6	176.4	0	0	0	108.9	Y279 W308 L313 H364 Q365 V367	Y279-L281 HydrophobicContact CD2-CD2 3.97Å; Y279-L281 HydrophobicContact CD2-CG 4.11Å; Y279-L281 HydrophobicContact CE2-CD1 4.13Å; Y279-L281 HydrophobicContact CE2-CD2 3.86Å; Y279-L281 HydrophobicContact CE2-CG 3.93Å; L281-W308 HydrophobicContact CB-CE3 4.41Å; L281-W308 HydrophobicContact CB-CH2 4.45Å; L281-W308 HydrophobicContact CB-CZ3 4.12Å; L281-W308 HydrophobicContact CD1-CH2 3.84Å; L281-W308 HydrophobicContact CD1-CZ2 3.9Å; L281-W308 HydrophobicContact CD1-CZ3 4.33Å; L281-W308 HydrophobicContact CD2-CD2 3.8Å; L281-W308 HydrophobicContact CD2-CE3 3.99Å; L281-W308 HydrophobicContact CD2-CG 4.27Å; L281-W308 HydrophobicContact CD2-CH2 4.33Å; L281-W308 HydrophobicContact CD2-CZ2 4.11Å; L281-W308 HydrophobicContact CD2-CZ3 4.25Å; L281-W308 HydrophobicContact CG-CH2 4.45Å; L281-W308 HydrophobicContact CG-CZ3 4.48Å; L281-L313 HydrophobicContact CD2-CB 3.81Å; L281-L313 HydrophobicContact CD2-CD1 3.74Å; L281-L313 HydrophobicContact CD2-CG 3.63Å; L281-H364 HydrophobicContact CB-CB 4.21Å; L281-H364 WeakPolarHBondContact O-CA 3.37Å; L281-H364 WeakPolarHBondContact O-CB 3.1Å; L281-H364 PolarHBondContact O-N 3.03Å; L281-Q365 PolarHBondContact N-O 2.9Å; L281-Q365 PolarHBondContact O-N 3.28Å; L281-V367 HydrophobicContact CD1-CG2 4.24Å
282	T	96.4	Very high	92.4	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	160.3	169.5	79.1	0	0	0	0	110.9	G311 L312 A361 E362	T282-G311 WeakPolarHBondContact OG1-CA 3.42Å; T282-L312 HydrophobicContact CG2-CB 4.14Å; T282-L312 PolarHBondContact N-O 2.83Å; T282-L312 PolarHBondContact OG1-N 3.08Å; T282-A361 HydrophobicContact CG2-CB 4.4Å; T282-E362 CarbonylContact C-O 3.48Å; T282-E362 WeakPolarHBondContact CA-O 3.33Å; T282-E362 WeakPolarHBondContact CB-O 3.3Å
283	K	95.8	Very high	92.5	Very high	88 Å²	88	49.2 Å²	49.2	38%	0.383	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-67.2	169.8	159.4	-61.9	-171.9	-165.7	169.6	0	109.9	L285 G311 E362 H364	K283-L285 PolarHBondContact O-N 3.29Å; K283-G311 VanDerWaalsContact O-CA 3.27Å; K283-G311 WeakPolarHBondContact O-CA 3.39Å; K283-E362 HydrophobicContact CB-CB 4.18Å; K283-E362 HydrophobicContact CD-CB 3.8Å; K283-E362 WeakPolarHBondContact CD-OE2 3.35Å; K283-E362 WeakPolarHBondContact CE-OE2 3.29Å; K283-E362 HydrophobicContact CG-CB 4.14Å; K283-E362 PolarHBondContact N-O 3.21Å; K283-E362 IonicContact NZ-OE2 2.64Å; K283-E362 PolarHBondContact NZ-OE2 2.93Å; K283-H364 HydrophobicContact CG-CB 4.11Å
284	P	94.7	Very high	92.6	Very high	95 Å²	95	48.8 Å²	48.8	62%	0.617	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-51.9	135.3	173.7	-27.6	35.8	0	0	0	112.6
285	L	92.3	Very high	92.9	Very high	21 Å²	21	48.5 Å²	48.5	11%	0.11	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-71.8	156.4	175.3	-58.4	179.2	0	0	0	110.3	L180 K283 E287 G310 A361	L180-L285 HydrophobicContact CD1-CD1 3.97Å; K283-L285 PolarHBondContact O-N 3.29Å; L285-E287 WeakPolarHBondContact CB-O 3.36Å; L285-E287 PolarHBondContact O-N 3.46Å; L285-G310 PolarHBondContact N-O 2.96Å; L285-A361 HydrophobicContact CD2-CB 3.65Å
286	Q	88	Confident	93.2	Very high	186 Å²	186	48.5 Å²	48.5	87%	0.869	26%	0.264	S	S	*	.	S	Bend	trans	-58.8	-39.3	173.6	-66	-176.4	3.1	0	0	111.5
287	E	87.1	Confident	93.4	Very high	171 Å²	171	47.7 Å²	47.7	80%	0.799	26%	0.26	S	S	*	.	S	Bend	trans	-113.1	98.1	167.4	-65.7	-173.6	-179.9	0	0	108.7	L285	L285-E287 WeakPolarHBondContact CB-O 3.36Å; L285-E287 PolarHBondContact O-N 3.46Å
288	P	85.1	Confident	93.6	Very high	84 Å²	84	47.1 Å²	47.1	55%	0.545	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-64.2	136.2	-178.4	-24.5	34.9	0	0	0	112.7
289	L	87.5	Confident	93.7	Very high	15 Å²	15	48.6 Å²	48.6	8%	0.079	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-62.5	141.1	166.9	-74.2	179.9	0	0	0	110.5	P179 L180 T293 P307 L312	P179-L289 HydrophobicContact CG-CD2 4.26Å; L180-L289 HydrophobicContact CD1-CD1 3.99Å; L180-L289 HydrophobicContact CD1-CD2 3.74Å; L180-L289 HydrophobicContact CD1-CG 3.86Å; L180-L289 HydrophobicContact CG-CD2 3.89Å; L289-T293 HydrophobicContact CD2-CG2 4.24Å; L289-P307 HydrophobicContact CB-CB 3.93Å; L289-P307 HydrophobicContact CB-CG 3.95Å; L289-P307 HydrophobicContact CD1-CB 4.33Å; L289-P307 HydrophobicContact CD1-CG 3.94Å; L289-L312 HydrophobicContact CD1-CD1 4.07Å
290	A	89.9	Confident	93.7	Very high	49 Å²	49	49.5 Å²	49.5	41%	0.405	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-59.6	138.9	171.4	0	0	0	0	0	109.8	N292 T293	A290-N292 WeakPolarHBondContact CB-OD1 3.41Å; A290-N292 PolarHBondContact O-N 3.33Å; A290-T293 PolarHBondContact N-OG1 2.94Å; A290-T293 VanDerWaalsContact O-CB 3.32Å; A290-T293 WeakPolarHBondContact O-CB 3.1Å; A290-T293 PolarHBondContact O-N 2.98Å; A290-T293 PolarHBondContact O-OG1 3.36Å
291	P	88.6	Confident	93.6	Very high	98 Å²	98	49.6 Å²	49.6	64%	0.636	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.2	-175.8	-28	35.7	0	0	0	115.1
292	N	92.6	Very high	93.6	Very high	101 Å²	101	50.2 Å²	50.2	54%	0.54	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	11.2	176.4	67.1	-30.5	0	0	0	113.7	V135 A290	V135-N292 HydrophobicContact CG1-CB 4.45Å; A290-N292 WeakPolarHBondContact CB-OD1 3.41Å; A290-N292 PolarHBondContact O-N 3.33Å
293	T	95.8	Very high	93.5	Very high	12 Å²	12	50 Å²	50	7%	0.074	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-63.9	134.5	173.6	-51	0	0	0	0	109.3	H178 L289 A290	H178-T293 HydrophobicContact CB-CG2 4.36Å; H178-T293 VanDerWaalsContact CD2-CG2 3.44Å; H178-T293 WeakPolarHBondContact CD2-CG2 2.88Å; L289-T293 HydrophobicContact CD2-CG2 4.24Å; A290-T293 PolarHBondContact N-OG1 2.94Å; A290-T293 VanDerWaalsContact O-CB 3.32Å; A290-T293 WeakPolarHBondContact O-CB 3.1Å; A290-T293 PolarHBondContact O-N 2.98Å; A290-T293 PolarHBondContact O-OG1 3.36Å
294	P	97.3	Very high	93.6	Very high	10 Å²	10	46.6 Å²	46.6	7%	0.065	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-57	146.3	-175.9	-27.7	35.2	0	0	0	115	T137 G138 L140 L177 H178	T137-P294 WeakPolarHBondContact O-CA 3.17Å; T137-P294 WeakPolarHBondContact O-CG 3.47Å; G138-P294 WeakPolarHBondContact O-CA 3.41Å; L140-P294 HydrophobicContact CD1-CB 3.95Å; L140-P294 HydrophobicContact CD1-CG 4.32Å; L140-P294 HydrophobicContact CG-CB 3.89Å; L177-P294 HydrophobicContact CB-CG 4.36Å; L177-P294 WeakPolarHBondContact O-CD 3.42Å; H178-P294 PolarHBondContact CD2-O 2.9Å; H178-P294 VanDerWaalsContact CD2-O 3.3Å
295	V	98	Very high	93.7	Very high	1 Å²	1	42 Å²	42	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	133.3	170	179.4	0	0	0	0	109.5	I100 G138 S139 L140 V197 I297 A305 R306	I100-V295 HydrophobicContact CD1-CG1 3.71Å; I100-V295 HydrophobicContact CG1-CG1 3.94Å; I100-V295 HydrophobicContact CG1-CG2 4.33Å; I100-V295 HydrophobicContact CG2-CG1 3.98Å; I100-V295 HydrophobicContact CG2-CG2 4.49Å; G138-V295 PolarHBondContact O-N 2.91Å; S139-V295 CarbonylContact C-O 3.54Å; S139-V295 VanDerWaalsContact CA-O 3.27Å; S139-V295 WeakPolarHBondContact CA-O 3.32Å; L140-V295 PolarHBondContact N-O 3.45Å; V197-V295 HydrophobicContact CG2-CG2 3.59Å; V295-I297 HydrophobicContact CG1-CG1 4.23Å; V295-A305 WeakPolarHBondContact CG1-O 3.47Å; V295-R306 HydrophobicContact CG1-CB 4.49Å; V295-R306 HydrophobicContact CG2-CB 4.03Å
296	I	98.1	Very high	93.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	134	172.7	-58.2	-50.3	0	0	0	109.6	L140 L142 H178 V181 Y304 A305 R354 M355	L140-I296 HydrophobicContact CB-CD1 3.86Å; L140-I296 HydrophobicContact CD1-CD1 3.78Å; L140-I296 HydrophobicContact CG-CD1 4.32Å; L142-I296 HydrophobicContact CD1-CG2 3.69Å; L142-I296 HydrophobicContact CG-CG2 4.15Å; H178-I296 HydrophobicContact CB-CD1 4.15Å; H178-I296 VanDerWaalsContact CD2-CD1 3.48Å; H178-I296 WeakPolarHBondContact CD2-CD1 3.23Å; V181-I296 HydrophobicContact CG2-CD1 3.69Å; V181-I296 HydrophobicContact CG2-CG1 3.7Å; I296-Y304 CarbonylContact O-C 3.58Å; I296-Y304 WeakPolarHBondContact O-CA 3.37Å; I296-Y304 WeakPolarHBondContact O-CB 3.47Å; I296-A305 PolarHBondContact N-O 2.8Å; I296-A305 PolarHBondContact O-N 3.07Å; I296-R354 HydrophobicContact CG2-CG 4.47Å; I296-M355 HydrophobicContact CB-CE 3.99Å; I296-M355 HydrophobicContact CG1-CE 3.52Å; I296-M355 HydrophobicContact CG2-CE 4.45Å
297	I	97.8	Very high	94.2	Very high	17 Å²	17	34.3 Å²	34.3	9%	0.087	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	101.1	172.8	-58.8	174.6	0	0	0	107.5	L140 C141 L142 V295 M299	L140-I297 PolarHBondContact O-N 2.89Å; C141-I297 CarbonylContact C-O 3.49Å; C141-I297 WeakPolarHBondContact CA-O 3.16Å; L142-I297 PolarHBondContact N-O 3.4Å; V295-I297 HydrophobicContact CG1-CG1 4.23Å; I297-M299 HydrophobicContact CG2-CG 4.17Å
298	D	97.4	Very high	94.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	87.6	177	-168.2	-15.7	0	0	0	109.8	L142 Q144 D300 G301 R302 M303 R354	L142-D298 HydrophobicContact CD1-CB 4.17Å; Q144-D298 PolarHBondContact NE2-OD1 3.16Å; Q144-D298 PolarHBondContact NE2-OD2 2.92Å; D298-D300 VanDerWaalsContact C-N 3.27Å; D298-D300 PolarHBondContact O-N 2.87Å; D298-D300 PolarHBondContact OD1-N 2.84Å; D298-G301 CarbonylContact O-C 3.52Å; D298-G301 PolarHBondContact O-N 3.2Å; D298-G301 PolarHBondContact OD1-N 2.72Å; D298-R302 PolarHBondContact O-N 2.74Å; D298-M303 CarbonylContact C-O 3.54Å; D298-M303 HydrophobicContact CB-CG 4.16Å; D298-M303 HydrophobicContact CB-SD 3.72Å; D298-M303 PolarHBondContact N-O 3.34Å; D298-M303 PolarHBondContact O-N 2.82Å; D298-R354 IonicContact OD2-CZ 2.72Å; D298-R354 VanDerWaalsContact OD2-CZ 3.24Å; D298-R354 IonicContact OD2-NE 3.71Å; D298-R354 PolarHBondContact OD2-NE 3.2Å; D298-R354 IonicContact OD2-NH2 3.92Å; D298-R354 PolarHBondContact OD2-NH2 2.97Å
299	M	95.9	Very high	94.8	Very high	32 Å²	32	31.5 Å²	31.5	16%	0.158	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-30.3	-179.9	-73.2	177.1	-86.2	0	0	113.1	C141 R148 L152 I297 R302 Y454	C141-M299 HydrophobicContact CB-CE 4.24Å; R148-M299 PolarHBondContact NH1-SD 3.44Å; L152-M299 HydrophobicContact CD2-CE 3.71Å; I297-M299 HydrophobicContact CG2-CG 4.17Å; M299-R302 PolarHBondContact O-N 2.81Å; M299-Y454 HydrophobicContact CB-CG 4.26Å; M299-Y454 HydrophobicContact CG-CD1 3.92Å; M299-Y454 HydrophobicContact CG-CD2 4.3Å; M299-Y454 HydrophobicContact CG-CE1 4.32Å; M299-Y454 HydrophobicContact CG-CG 3.91Å
300	D	96.1	Very high	95	Very high	37 Å²	37	32 Å²	32	20%	0.198	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-39.2	178.2	-64.3	-35.1	0	0	0	110.5	Q144 N145 R148 D298 R302	Q144-D300 HydrophobicContact CB-CB 3.95Å; Q144-D300 HydrophobicContact CG-CB 3.79Å; Q144-D300 PolarHBondContact N-OD2 2.77Å; N145-D300 PolarHBondContact ND2-OD1 3Å; N145-D300 PolarHBondContact ND2-OD2 3.19Å; R148-D300 WeakPolarHBondContact CB-OD2 3.22Å; R148-D300 WeakPolarHBondContact CG-OD2 3.49Å; R148-D300 IonicContact CZ-OD1 2.75Å; R148-D300 IonicContact NE-OD1 2.69Å; R148-D300 PolarHBondContact NE-OD1 2.98Å; R148-D300 IonicContact NE-OD2 2.9Å; R148-D300 IonicContact NH2-OD1 3.5Å; R148-D300 PolarHBondContact NH2-OD1 2.69Å; D298-D300 VanDerWaalsContact C-N 3.27Å; D298-D300 PolarHBondContact O-N 2.87Å; D298-D300 PolarHBondContact OD1-N 2.84Å; D300-R302 PolarHBondContact O-N 2.75Å
301	G	95.1	Very high	95.1	Very high	9 Å²	9	29.7 Å²	29.7	9%	0.093	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	0.1	168.7	0	0	0	0	0	114.3	D298 M303 A350	D298-G301 CarbonylContact O-C 3.52Å; D298-G301 PolarHBondContact O-N 3.2Å; D298-G301 PolarHBondContact OD1-N 2.72Å; G301-M303 PolarHBondContact O-N 2.89Å; G301-A350 WeakPolarHBondContact O-CB 3.42Å
302	R	95.8	Very high	95.4	Very high	23 Å²	23	25.1 Å²	25.1	9%	0.087	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	22.6	179.7	-73.6	176.3	163.2	-88.4	-5.9	115.8	D298 M299 D300 G316 F317 E318 P451 E455	D298-R302 PolarHBondContact O-N 2.74Å; M299-R302 PolarHBondContact O-N 2.81Å; D300-R302 PolarHBondContact O-N 2.75Å; R302-G316 CarbonylContact O-C 3.58Å; R302-G316 WeakPolarHBondContact O-CA 3.19Å; R302-F317 WeakPolarHBondContact CB-O 3.43Å; R302-F317 PolarHBondContact NH1-O 3.44Å; R302-F317 PolarHBondContact O-N 3.32Å; R302-E318 PolarHBondContact NH1-O 3.21Å; R302-E318 VanDerWaalsContact NH1-O 3.14Å; R302-P451 PolarHBondContact NH1-O 2.89Å; R302-P451 PolarHBondContact NH2-O 2.79Å; R302-E455 IonicContact CZ-OE2 3.48Å; R302-E455 IonicContact NH2-OE2 3.65Å; R302-E455 PolarHBondContact NH2-OE2 2.97Å
303	M	95.6	Very high	95.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	162.9	-171.8	65.9	76.8	65.4	0	0	114.2	D298 G301 A305 S314 G315 A350 L351	D298-M303 CarbonylContact C-O 3.54Å; D298-M303 HydrophobicContact CB-CG 4.16Å; D298-M303 HydrophobicContact CB-SD 3.72Å; D298-M303 PolarHBondContact N-O 3.34Å; D298-M303 PolarHBondContact O-N 2.82Å; G301-M303 PolarHBondContact O-N 2.89Å; M303-A305 HydrophobicContact CE-CB 3.74Å; M303-S314 WeakPolarHBondContact CE-OG 3.48Å; M303-G315 CarbonylContact C-O 3.54Å; M303-G315 VanDerWaalsContact CA-O 3.29Å; M303-G315 WeakPolarHBondContact CA-O 3.45Å; M303-A350 HydrophobicContact CG-CB 4.48Å; M303-L351 HydrophobicContact CE-CB 4.12Å; M303-L351 HydrophobicContact CE-CD1 3.49Å; M303-L351 VanDerWaalsContact CE-CD1 3.49Å; M303-L351 HydrophobicContact CE-CG 4.39Å
304	Y	97.2	Very high	95.7	Very high	16 Å²	16	20.2 Å²	20.2	6%	0.063	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150	168.3	61.7	-100.1	0	0	0	109.7	A98 I100 H277 I296 L313 S314 G315 F317 Y454	A98-Y304 HydrophobicContact CB-CE2 3.73Å; I100-Y304 HydrophobicContact CD1-CD2 3.4Å; I100-Y304 HydrophobicContact CD1-CE2 3.9Å; I100-Y304 HydrophobicContact CD1-CG 4.08Å; H277-Y304 PolarHBondContact NE2-OH 3.26Å; H277-Y304 VanDerWaalsContact NE2-OH 3.09Å; I296-Y304 CarbonylContact O-C 3.58Å; I296-Y304 WeakPolarHBondContact O-CA 3.37Å; I296-Y304 WeakPolarHBondContact O-CB 3.47Å; Y304-L313 HydrophobicContact CE2-CD2 3.88Å; Y304-S314 CarbonylContact O-C 3.59Å; Y304-S314 WeakPolarHBondContact O-CA 3.05Å; Y304-S314 PolarHBondContact O-OG 2.59Å; Y304-G315 WeakPolarHBondContact CD1-O 3.31Å; Y304-G315 VanDerWaalsContact CE1-C 3.42Å; Y304-G315 PolarHBondContact N-O 3.29Å; Y304-G315 PolarHBondContact O-N 3.3Å; Y304-F317 HydrophobicContact CE1-CE2 4.44Å; Y304-Y454 HydrophobicContact CD1-CE2 4.38Å; Y304-Y454 WeakPolarHBondContact CD1-OH 3.26Å
305	A	97.2	Very high	95.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	148.2	177.8	0	0	0	0	0	113.4	V295 I296 M303 L312 L313 M355	V295-A305 WeakPolarHBondContact CG1-O 3.47Å; I296-A305 PolarHBondContact N-O 2.8Å; I296-A305 PolarHBondContact O-N 3.07Å; M303-A305 HydrophobicContact CE-CB 3.74Å; A305-L312 HydrophobicContact CB-CD1 4.26Å; A305-L312 HydrophobicContact CB-CD2 4.09Å; A305-L312 HydrophobicContact CB-CG 4.28Å; A305-L313 CarbonylContact C-O 3.54Å; A305-L313 VanDerWaalsContact CA-O 3.26Å; A305-L313 WeakPolarHBondContact CA-O 3.21Å; A305-M355 HydrophobicContact CB-CE 3.84Å; A305-M355 HydrophobicContact CB-SD 4.38Å
306	R	96.2	Very high	95.4	Very high	37 Å²	37	19.7 Å²	19.7	14%	0.14	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.9	175	66.4	164.8	-123.1	93.4	2.5	112.5	A98 V197 V295 W308 L312 L313	A98-R306 WeakPolarHBondContact O-CD 3.43Å; V197-R306 VanDerWaalsContact CG1-NH1 3.35Å; V295-R306 HydrophobicContact CG1-CB 4.49Å; V295-R306 HydrophobicContact CG2-CB 4.03Å; R306-W308 PolarHBondContact O-N 2.63Å; R306-L312 WeakPolarHBondContact O-CA 3.35Å; R306-L312 WeakPolarHBondContact O-CD1 3.39Å; R306-L313 HydrophobicContact CG-CB 4.02Å; R306-L313 PolarHBondContact N-O 2.91Å; R306-L313 PolarHBondContact O-N 2.87Å
307	P	94.8	Very high	95.2	Very high	7 Å²	7	20.3 Å²	20.3	5%	0.045	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	126.3	168.6	-17.6	29.1	0	0	0	111.2	L289 G311	L289-P307 HydrophobicContact CB-CB 3.93Å; L289-P307 HydrophobicContact CB-CG 3.95Å; L289-P307 HydrophobicContact CD1-CB 4.33Å; L289-P307 HydrophobicContact CD1-CG 3.94Å; P307-G311 CarbonylContact C-O 3.49Å; P307-G311 WeakPolarHBondContact CA-O 3.07Å
308	W	93.8	Very high	94.8	Very high	47 Å²	47	20 Å²	20	18%	0.178	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	116.8	-178.9	179.9	97.3	0	0	0	110.8	L281 R306 G310 G311 L313 H364	L281-W308 HydrophobicContact CB-CE3 4.41Å; L281-W308 HydrophobicContact CB-CH2 4.45Å; L281-W308 HydrophobicContact CB-CZ3 4.12Å; L281-W308 HydrophobicContact CD1-CH2 3.84Å; L281-W308 HydrophobicContact CD1-CZ2 3.9Å; L281-W308 HydrophobicContact CD1-CZ3 4.33Å; L281-W308 HydrophobicContact CD2-CD2 3.8Å; L281-W308 HydrophobicContact CD2-CE3 3.99Å; L281-W308 HydrophobicContact CD2-CG 4.27Å; L281-W308 HydrophobicContact CD2-CH2 4.33Å; L281-W308 HydrophobicContact CD2-CZ2 4.11Å; L281-W308 HydrophobicContact CD2-CZ3 4.25Å; L281-W308 HydrophobicContact CG-CH2 4.45Å; L281-W308 HydrophobicContact CG-CZ3 4.48Å; R306-W308 PolarHBondContact O-N 2.63Å; W308-G310 PolarHBondContact O-N 2.84Å; W308-G310 VanDerWaalsContact O-N 3.15Å; W308-G311 PolarHBondContact N-O 3.38Å; W308-G311 CarbonylContact O-C 3.45Å; W308-G311 VanDerWaalsContact O-C 3.23Å; W308-G311 VanDerWaalsContact O-CA 3.24Å; W308-G311 WeakPolarHBondContact O-CA 3.16Å; W308-G311 PolarHBondContact O-N 2.89Å; W308-L313 HydrophobicContact CB-CB 3.65Å; W308-L313 HydrophobicContact CG-CB 3.94Å; W308-L313 HydrophobicContact CG-CD1 4.42Å; W308-H364 AromaticContact CH2-CD2 3.83Å
309	Q	91	Very high	94.4	Very high	150 Å²	150	26.9 Å²	26.9	70%	0.701	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	37.3	-179.3	-56.4	-169.1	9.2	0	0	114.7	G311	Q309-G311 PolarHBondContact O-N 2.95Å
310	G	90.3	Very high	94.3	Very high	26 Å²	26	31.5 Å²	31.5	27%	0.268	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	-10.2	-174.5	0	0	0	0	0	114.6	L285 W308	L285-G310 PolarHBondContact N-O 2.96Å; W308-G310 PolarHBondContact O-N 2.84Å; W308-G310 VanDerWaalsContact O-N 3.15Å
311	G	93.3	Very high	94.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-150.3	167.8	0	0	0	0	0	112.2	T282 K283 P307 W308 Q309	T282-G311 WeakPolarHBondContact OG1-CA 3.42Å; K283-G311 VanDerWaalsContact O-CA 3.27Å; K283-G311 WeakPolarHBondContact O-CA 3.39Å; P307-G311 CarbonylContact C-O 3.49Å; P307-G311 WeakPolarHBondContact CA-O 3.07Å; W308-G311 PolarHBondContact N-O 3.38Å; W308-G311 CarbonylContact O-C 3.45Å; W308-G311 VanDerWaalsContact O-C 3.23Å; W308-G311 VanDerWaalsContact O-CA 3.24Å; W308-G311 WeakPolarHBondContact O-CA 3.16Å; W308-G311 PolarHBondContact O-N 2.89Å; Q309-G311 PolarHBondContact O-N 2.95Å
312	L	95.3	Very high	94	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.6	177.9	-161.4	79	0	0	0	110.7	T282 L289 A305 R306 L351 M355 I358	T282-L312 HydrophobicContact CG2-CB 4.14Å; T282-L312 PolarHBondContact N-O 2.83Å; T282-L312 PolarHBondContact OG1-N 3.08Å; L289-L312 HydrophobicContact CD1-CD1 4.07Å; A305-L312 HydrophobicContact CB-CD1 4.26Å; A305-L312 HydrophobicContact CB-CD2 4.09Å; A305-L312 HydrophobicContact CB-CG 4.28Å; R306-L312 WeakPolarHBondContact O-CA 3.35Å; R306-L312 WeakPolarHBondContact O-CD1 3.39Å; L312-L351 HydrophobicContact CD2-CD1 3.88Å; L312-M355 HydrophobicContact CD1-SD 4.28Å; L312-M355 HydrophobicContact CD2-SD 3.91Å; L312-I358 HydrophobicContact CD2-CD1 3.58Å
313	L	96.6	Very high	93.8	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.7	160.4	-179.1	165.3	0	0	0	107.4	A98 Y279 L280 L281 Y304 A305 R306 W308	A98-L313 HydrophobicContact CB-CD1 4.3Å; A98-L313 HydrophobicContact CB-CD2 3.73Å; Y279-L313 HydrophobicContact CD2-CD1 4.16Å; Y279-L313 HydrophobicContact CD2-CD2 4.28Å; Y279-L313 HydrophobicContact CD2-CG 3.94Å; Y279-L313 HydrophobicContact CE2-CD1 4.23Å; Y279-L313 HydrophobicContact CE2-CG 4.48Å; Y279-L313 HydrophobicContact CG-CD2 4.47Å; L280-L313 WeakPolarHBondContact O-CA 3.26Å; L281-L313 HydrophobicContact CD2-CB 3.81Å; L281-L313 HydrophobicContact CD2-CD1 3.74Å; L281-L313 HydrophobicContact CD2-CG 3.63Å; Y304-L313 HydrophobicContact CE2-CD2 3.88Å; A305-L313 CarbonylContact C-O 3.54Å; A305-L313 VanDerWaalsContact CA-O 3.26Å; A305-L313 WeakPolarHBondContact CA-O 3.21Å; R306-L313 HydrophobicContact CG-CB 4.02Å; R306-L313 PolarHBondContact N-O 2.91Å; R306-L313 PolarHBondContact O-N 2.87Å; W308-L313 HydrophobicContact CB-CB 3.65Å; W308-L313 HydrophobicContact CG-CB 3.94Å; W308-L313 HydrophobicContact CG-CD1 4.42Å
314	S	97.2	Very high	93.5	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.028	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	125	178.1	-178.6	0	0	0	0	111.9	Y279 L280 M303 Y304	Y279-S314 CarbonylContact C-O 3.41Å; Y279-S314 VanDerWaalsContact CA-O 3.3Å; Y279-S314 WeakPolarHBondContact CA-O 3.49Å; L280-S314 PolarHBondContact N-O 2.8Å; L280-S314 PolarHBondContact O-N 2.87Å; M303-S314 WeakPolarHBondContact CE-OG 3.48Å; Y304-S314 CarbonylContact O-C 3.59Å; Y304-S314 WeakPolarHBondContact O-CA 3.05Å; Y304-S314 PolarHBondContact O-OG 2.59Å
315	G	95.7	Very high	92.5	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	-171.7	175	0	0	0	0	0	111.5	F278 M303 Y304	F278-G315 WeakPolarHBondContact O-CA 3.38Å; M303-G315 CarbonylContact C-O 3.54Å; M303-G315 VanDerWaalsContact CA-O 3.29Å; M303-G315 WeakPolarHBondContact CA-O 3.45Å; Y304-G315 WeakPolarHBondContact CD1-O 3.31Å; Y304-G315 VanDerWaalsContact CE1-C 3.42Å; Y304-G315 PolarHBondContact N-O 3.29Å; Y304-G315 PolarHBondContact O-N 3.3Å
316	G	93.1	Very high	90.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.8	-169.5	-178.1	0	0	0	0	0	115.1	H277 R302 M347	H277-G316 PolarHBondContact CE1-O 2.83Å; R302-G316 CarbonylContact O-C 3.58Å; R302-G316 WeakPolarHBondContact O-CA 3.19Å; G316-M347 VanDerWaalsContact C-SD 3.5Å; G316-M347 WeakPolarHBondContact CA-SD 3.26Å
317	F	93.3	Very high	89	Confident	13 Å²	13	43.6 Å²	43.6	6%	0.057	22%	0.217	C	C	.	.			trans	-126	102.2	-179.4	-64.6	-80.4	0	0	0	110.5	H277 R302 Y304 F373 S398 M450 L453 Y454	H277-F317 AromaticContact ND1-CE1 3.98Å; R302-F317 WeakPolarHBondContact CB-O 3.43Å; R302-F317 PolarHBondContact NH1-O 3.44Å; R302-F317 PolarHBondContact O-N 3.32Å; Y304-F317 HydrophobicContact CE1-CE2 4.44Å; F317-F373 HydrophobicContact CE1-CE1 4.29Å; F317-F373 HydrophobicContact CE1-CZ 4.4Å; F317-S398 WeakPolarHBondContact CE1-OG 3.09Å; F317-M450 HydrophobicContact CB-CE 4.33Å; F317-M450 HydrophobicContact CB-SD 3.94Å; F317-M450 HydrophobicContact CD1-CE 3.88Å; F317-M450 HydrophobicContact CD1-CG 4.11Å; F317-M450 HydrophobicContact CD1-SD 3.87Å; F317-M450 HydrophobicContact CG-SD 4.42Å; F317-L453 HydrophobicContact CD1-CB 4.38Å; F317-L453 HydrophobicContact CD1-CD1 3.73Å; F317-L453 HydrophobicContact CD2-CB 4.45Å; F317-L453 HydrophobicContact CE1-CD1 3.45Å; F317-L453 VanDerWaalsContact CE1-CD1 3.45Å; F317-L453 HydrophobicContact CG-CB 4.28Å; F317-L453 HydrophobicContact CG-CD1 4.42Å; F317-L453 HydrophobicContact CZ-CD1 3.92Å; F317-Y454 HydrophobicContact CB-CD2 4.47Å; F317-Y454 HydrophobicContact CB-CG 4.4Å; F317-Y454 AromaticContact CD2-CD1 3.67Å; F317-Y454 HydrophobicContact CD2-CD1 3.67Å; F317-Y454 AromaticContact CD2-CD2 3.74Å; F317-Y454 HydrophobicContact CD2-CD2 3.74Å; F317-Y454 AromaticContact CD2-CE1 3.58Å; F317-Y454 HydrophobicContact CD2-CE1 3.58Å; F317-Y454 AromaticContact CD2-CE2 3.67Å; F317-Y454 HydrophobicContact CD2-CE2 3.67Å; F317-Y454 AromaticContact CD2-CG 3.76Å; F317-Y454 HydrophobicContact CD2-CG 3.76Å; F317-Y454 AromaticContact CD2-CZ 3.58Å; F317-Y454 HydrophobicContact CE2-CD1 4.12Å; F317-Y454 AromaticContact CE2-CE1 3.6Å; F317-Y454 HydrophobicContact CE2-CE1 3.6Å; F317-Y454 HydrophobicContact CE2-CE2 4.15Å; F317-Y454 AromaticContact CE2-CZ 3.62Å; F317-Y454 HydrophobicContact CG-CG 4.49Å
318	E	89.3	Confident	87.2	Confident	10 Å²	10	46.5 Å²	46.5	5%	0.047	25%	0.248	C	C	.	.			trans	-64.5	164.8	-173.9	-67.1	152.4	153.2	0	0	112.5	F278 R302 H343 M347 P451	F278-E318 VanDerWaalsContact CD2-OE1 3.26Å; F278-E318 WeakPolarHBondContact CD2-OE1 3.29Å; F278-E318 WeakPolarHBondContact CD2-OE2 3.25Å; R302-E318 PolarHBondContact NH1-O 3.21Å; R302-E318 VanDerWaalsContact NH1-O 3.14Å; E318-H343 IonicContact OE1-CD2 3.9Å; E318-H343 PolarHBondContact OE1-CD2 2.72Å; E318-H343 IonicContact OE1-NE2 2.65Å; E318-H343 IonicContact OE2-CD2 3.39Å; E318-H343 PolarHBondContact OE2-CD2 2.9Å; E318-H343 IonicContact OE2-NE2 3.21Å; E318-H343 PolarHBondContact OE2-NE2 3.39Å; E318-M347 HydrophobicContact CG-CE 3.82Å; E318-M347 HydrophobicContact CG-CG 4.11Å; E318-M347 HydrophobicContact CG-SD 3.68Å; E318-P451 WeakPolarHBondContact O-CG 3.41Å
319	K	90.1	Very high	85.4	Confident	146 Å²	146	56.1 Å²	56.1	64%	0.635	28%	0.284	S	S	*	.	S	Bend	trans	-82.6	-26.5	174.8	-73	-176	177.5	-179.4	0	113.1	P321 P451	K319-P321 VanDerWaalsContact O-CD 3.29Å; K319-P321 WeakPolarHBondContact O-CD 3.31Å; K319-P451 WeakPolarHBondContact O-CG 3.34Å
320	N	92.8	Very high	84.1	Confident	128 Å²	128	50.2 Å²	50.2	68%	0.684	26%	0.257	S	S	*	.	S	Bend	trans	-122.5	56.6	-170.8	-60.9	-21.4	0	0	0	110.8	H343	N320-H343 PolarHBondContact O-CE1 2.99Å; N320-H343 PolarHBondContact O-NE2 3.39Å
321	P	92.9	Very high	83.1	Confident	10 Å²	10	53.3 Å²	53.3	7%	0.065	27%	0.265	C	S	.	.			trans	-53.9	154.2	-175.1	28.8	-43	0	0	0	113.1	C275 K319 P323 M447 M450 P451	C275-P321 VanDerWaalsContact SG-CB 3.55Å; K319-P321 VanDerWaalsContact O-CD 3.29Å; K319-P321 WeakPolarHBondContact O-CD 3.31Å; P321-P323 WeakPolarHBondContact O-CD 3.13Å; P321-M447 HydrophobicContact CG-CB 4.26Å; P321-M447 WeakPolarHBondContact CG-O 3.46Å; P321-M450 HydrophobicContact CB-CB 4.11Å; P321-M450 HydrophobicContact CB-CG 4.17Å; P321-M450 HydrophobicContact CB-SD 4.05Å; P321-M450 HydrophobicContact CG-CB 4.38Å; P321-P451 HydrophobicContact CG-CG 3.93Å
322	K	92.8	Very high	81.9	Confident	48 Å²	48	58.7 Å²	58.7	21%	0.209	29%	0.293	C	S	.	.			trans	-108.8	104.2	-179.7	-67.4	167.7	176	171.8	0	111.7	C275 E276 D340	C275-K322 WeakPolarHBondContact CA-O 3.5Å; C275-K322 PolarHBondContact SG-O 2.84Å; E276-K322 HydrophobicContact CB-CB 4.09Å; E276-K322 HydrophobicContact CG-CB 3.76Å; E276-K322 HydrophobicContact CG-CD 4.27Å; E276-K322 PolarHBondContact N-O 2.93Å; E276-K322 WeakPolarHBondContact OE2-CD 3.34Å; E276-K322 IonicContact OE2-NZ 3.34Å; K322-D340 IonicContact NZ-OD2 3.57Å; K322-D340 PolarHBondContact NZ-OD2 3.27Å
323	P	91.8	Very high	81.2	Confident	15 Å²	15	60.6 Å²	60.6	10%	0.097	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-68.3	136	173	-19.9	34.7	0	0	0	111	P321 R443 V446 M447	P321-P323 WeakPolarHBondContact O-CD 3.13Å; P323-R443 HydrophobicContact CB-CG 3.8Å; P323-R443 HydrophobicContact CG-CG 4.31Å; P323-V446 HydrophobicContact CB-CG1 3.69Å; P323-V446 HydrophobicContact CG-CG1 3.62Å; P323-M447 HydrophobicContact CG-CG 3.36Å; P323-M447 HydrophobicContact CG-SD 3.96Å
324	I	88.6	Confident	80.3	Confident	18 Å²	18	60.4 Å²	60.4	9%	0.092	30%	0.301	C	S	.	.			trans	-122.9	170.7	-175	52.7	179.3	0	0	0	111.3	G274 E276 T326 M337 P370	G274-I324 VanDerWaalsContact C-CG1 3.45Å; G274-I324 PolarHBondContact O-N 3.41Å; G274-I324 VanDerWaalsContact O-N 3.1Å; E276-I324 HydrophobicContact CG-CG2 3.48Å; E276-I324 VanDerWaalsContact CG-CG2 3.48Å; I324-T326 PolarHBondContact O-N 2.71Å; I324-T326 VanDerWaalsContact O-N 3.14Å; I324-M337 HydrophobicContact CD1-CE 4Å; I324-M337 HydrophobicContact CD1-SD 3.94Å; I324-P370 HydrophobicContact CD1-CB 3.41Å; I324-P370 VanDerWaalsContact CD1-CB 3.41Å
325	F	75.9	Confident	79.4	Confident	53 Å²	53	66.2 Å²	66.2	23%	0.232	33%	0.328	C	S	.	.			trans	55.7	29.7	-179.9	-48.7	-54.9	0	0	0	114.3	Q255 E327 N330 P370	Q255-F325 VanDerWaalsContact OE1-CE2 3.24Å; F325-E327 PolarHBondContact O-N 2.66Å; F325-N330 WeakPolarHBondContact CB-OD1 3.25Å; F325-N330 WeakPolarHBondContact CD1-OD1 3.17Å; F325-N330 WeakPolarHBondContact CG-OD1 3.24Å; F325-P370 HydrophobicContact CE2-CB 3.77Å; F325-P370 HydrophobicContact CE2-CG 4.5Å; F325-P370 HydrophobicContact CZ-CB 4.16Å
326	T	63.8	Low	78.7	Confident	55 Å²	55	69.3 Å²	69.3	34%	0.337	34%	0.344	S	S	.	.	S	Bend	trans	-62.2	-31.3	175.1	-44.2	0	0	0	0	111.6	I324 R443	I324-T326 PolarHBondContact O-N 2.71Å; I324-T326 VanDerWaalsContact O-N 3.14Å; T326-R443 HydrophobicContact CG2-CG 4.46Å; T326-R443 PolarHBondContact OG1-NE 2.86Å; T326-R443 VanDerWaalsContact OG1-NE 3.12Å
327	E	57.8	Low	78.3	Confident	177 Å²	177	71.4 Å²	71.4	83%	0.827	35%	0.354	S	S	*	.	S	Bend	trans	-136	151.6	179.8	-61.7	-178.5	-174.7	0	0	110.9	F325	F325-E327 PolarHBondContact O-N 2.66Å
328	G	55.4	Low	78.2	Confident	68 Å²	68	79 Å²	79	70%	0.701	39%	0.39	S	S	*	.	S	Bend	trans	92.9	-173.4	-179.4	0	0	0	0	0	115.2
329	R	56.5	Low	78.4	Confident	249 Å²	249	82.4 Å²	82.4	94%	0.94	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-101.1	140.1	168.6	-73.1	-175.8	176.9	-176.5	-2.3	109
330	N	64.4	Low	78.7	Confident	26 Å²	26	77.9 Å²	77.9	14%	0.139	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-62	152.9	173.7	-64.3	-18.9	0	0	0	111.1	W256 E259 F325	W256-N330 VanDerWaalsContact CD1-CB 3.44Å; W256-N330 HydrophobicContact CG-CB 4.49Å; W256-N330 VanDerWaalsContact NE1-CB 3.28Å; E259-N330 PolarHBondContact OE2-ND2 3.01Å; E259-N330 VanDerWaalsContact OE2-ND2 3.17Å; F325-N330 WeakPolarHBondContact CB-OD1 3.25Å; F325-N330 WeakPolarHBondContact CD1-OD1 3.17Å; F325-N330 WeakPolarHBondContact CG-OD1 3.24Å
331	Q	68.9	Low	78.8	Confident	91 Å²	91	76.1 Å²	76.1	43%	0.425	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-64.9	158.9	174.3	-60.5	178.5	6.4	0	0	111.1	W256 E333	W256-Q331 VanDerWaalsContact CE2-O 3.29Å; W256-Q331 VanDerWaalsContact CZ2-O 3.23Å; W256-Q331 WeakPolarHBondContact CZ2-O 3.46Å; W256-Q331 PolarHBondContact NE1-O 3.33Å; Q331-E333 VanDerWaalsContact CB-O 3.29Å; Q331-E333 WeakPolarHBondContact CB-O 3.49Å; Q331-E333 PolarHBondContact OE1-O 3.43Å
332	L	67.4	Low	78.9	Confident	114 Å²	114	82.7 Å²	82.7	60%	0.597	41%	0.407	S	S	*	.	S	Bend	trans	-71.7	-40.8	176.6	-67.4	172.6	0	0	0	112.5	Q86	Q86-L332 WeakPolarHBondContact CG-O 3.31Å; Q86-L332 PolarHBondContact NE2-O 2.96Å
333	E	80.6	Confident	78.9	Confident	41 Å²	41	82.1 Å²	82.1	19%	0.192	41%	0.405	C	S	.	.	S	Bend	trans	-118	151.7	169.6	-63.9	-167.1	159.8	0	0	108.6	R88 A91 Q331 Q335	R88-E333 WeakPolarHBondContact CB-OE1 3.5Å; R88-E333 WeakPolarHBondContact CG-OE1 3.29Å; R88-E333 IonicContact CZ-OE1 2.74Å; R88-E333 IonicContact CZ-OE2 3.6Å; R88-E333 PolarHBondContact N-OE1 3.48Å; R88-E333 IonicContact NE-OE1 2.66Å; R88-E333 PolarHBondContact NE-OE1 3.12Å; R88-E333 IonicContact NE-OE2 2.69Å; R88-E333 PolarHBondContact NE-OE2 3.34Å; R88-E333 IonicContact NH2-OE1 3.3Å; R88-E333 IonicContact NH2-OE2 2.83Å; R88-E333 PolarHBondContact NH2-OE2 3.12Å; A91-E333 HydrophobicContact CB-CB 4.05Å; A91-E333 HydrophobicContact CB-CG 3.64Å; Q331-E333 VanDerWaalsContact CB-O 3.29Å; Q331-E333 WeakPolarHBondContact CB-O 3.49Å; Q331-E333 PolarHBondContact OE1-O 3.43Å; E333-Q335 PolarHBondContact O-N 3.01Å
334	I	77.3	Confident	79.1	Confident	2 Å²	2	81.5 Å²	81.5	1%	0.01	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-73.2	120.6	172.2	-79.7	165.4	0	0	0	108.8	A91 T93 R95 L96 Q255 W256 P370	A91-I334 PolarHBondContact O-N 2.8Å; T93-I334 VanDerWaalsContact N-CD1 3.32Å; T93-I334 VanDerWaalsContact OG1-CD1 3.23Å; T93-I334 WeakPolarHBondContact OG1-CD1 3.48Å; R95-I334 PolarHBondContact NH2-O 3.37Å; L96-I334 HydrophobicContact CD1-CG2 3.61Å; Q255-I334 HydrophobicContact CG-CD1 4.47Å; Q255-I334 VanDerWaalsContact NE2-CG1 3.31Å; W256-I334 HydrophobicContact CH2-CD1 3.86Å; W256-I334 HydrophobicContact CH2-CG1 3.69Å; W256-I334 HydrophobicContact CZ2-CG1 4.15Å; W256-I334 HydrophobicContact CZ3-CD1 4.23Å; I334-P370 HydrophobicContact CB-CG 4.17Å; I334-P370 HydrophobicContact CD1-CG 3.68Å; I334-P370 HydrophobicContact CG1-CG 3.61Å; I334-P370 VanDerWaalsContact CG2-CD 3.49Å; I334-P370 HydrophobicContact CG2-CG 3.46Å; I334-P370 VanDerWaalsContact CG2-CG 3.46Å
335	Q	78.2	Confident	79.4	Confident	125 Å²	125	85 Å²	85	58%	0.584	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-95.8	156.1	165.1	-58.7	-175.1	13.8	0	0	110.2	E333 M337	E333-Q335 PolarHBondContact O-N 3.01Å; Q335-M337 PolarHBondContact O-N 3.46Å
336	N	81.1	Confident	80.3	Confident	67 Å²	67	86.2 Å²	86.2	36%	0.358	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-62.1	135.1	170.7	-70.4	15.4	0	0	0	108.5	Q365	N336-Q365 PolarHBondContact ND2-NE2 3.23Å
337	M	86.1	Confident	81.7	Confident	43 Å²	43	84 Å²	84	21%	0.212	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-82.7	170.9	174.5	-61.9	-178.6	-54.4	0	0	109.4	E276 I324 Q335 E339 N368 C369 P370	E276-M337 HydrophobicContact CB-CE 3.99Å; E276-M337 HydrophobicContact CG-CE 3.61Å; I324-M337 HydrophobicContact CD1-CE 4Å; I324-M337 HydrophobicContact CD1-SD 3.94Å; Q335-M337 PolarHBondContact O-N 3.46Å; M337-E339 PolarHBondContact O-N 2.93Å; M337-N368 HydrophobicContact CB-CB 4.16Å; M337-N368 WeakPolarHBondContact CE-OD1 3.33Å; M337-N368 PolarHBondContact N-O 3.33Å; M337-C369 VanDerWaalsContact CE-C 3.44Å; M337-P370 HydrophobicContact CE-CB 4.28Å; M337-P370 HydrophobicContact SD-CB 4.4Å
338	Q	90.6	Very high	83.5	Confident	174 Å²	174	77.6 Å²	77.6	81%	0.813	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-61.9	138.8	-179.5	-173.4	174.7	-22.1	0	0	110.7	N368	Q338-N368 WeakPolarHBondContact O-CB 3.44Å; Q338-N368 PolarHBondContact O-ND2 3.15Å
339	E	93.7	Very high	85.5	Confident	80 Å²	80	76.6 Å²	76.6	37%	0.374	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-61.6	137.9	171.8	-62.3	-170.7	166.1	0	0	110.5	M337 W341 L366	M337-E339 PolarHBondContact O-N 2.93Å; E339-W341 PolarHBondContact OE2-NE1 2.87Å; E339-L366 HydrophobicContact CB-CD2 4.28Å; E339-L366 HydrophobicContact CG-CB 4.11Å; E339-L366 WeakPolarHBondContact CG-O 3.31Å; E339-L366 PolarHBondContact OE1-N 3.02Å
340	D	95	Very high	87.3	Confident	51 Å²	51	65.2 Å²	65.2	27%	0.273	33%	0.328	S	S	.	.			trans	-131.4	99.3	172.6	-170.2	-28.3	0	0	0	109.3	F278 K322 D342 H343 F344	F278-D340 HydrophobicContact CE1-CB 4.12Å; F278-D340 HydrophobicContact CZ-CB 4.34Å; K322-D340 IonicContact NZ-OD2 3.57Å; K322-D340 PolarHBondContact NZ-OD2 3.27Å; D340-D342 PolarHBondContact OD1-N 3.3Å; D340-H343 HydrophobicContact CB-CB 3.97Å; D340-H343 VanDerWaalsContact CG-CB 3.48Å; D340-H343 WeakPolarHBondContact OD1-CB 3.38Å; D340-H343 PolarHBondContact OD1-N 3.47Å; D340-F344 WeakPolarHBondContact O-CB 3.42Å; D340-F344 PolarHBondContact O-N 3.48Å
341	W	95.3	Very high	88.9	Confident	92 Å²	92	64 Å²	64	35%	0.348	32%	0.322	S	S	.	.	H	α-helix	trans	-75.3	-34.1	-175.9	-72.2	94.5	0	0	0	112.7	L280 E339 H343 F344 E345 I363 L366	L280-W341 HydrophobicContact CD1-CH2 3.63Å; L280-W341 HydrophobicContact CD1-CZ3 3.95Å; E339-W341 PolarHBondContact OE2-NE1 2.87Å; W341-H343 VanDerWaalsContact C-N 3.3Å; W341-H343 PolarHBondContact O-N 2.93Å; W341-F344 PolarHBondContact O-N 3Å; W341-E345 PolarHBondContact O-N 2.96Å; W341-I363 HydrophobicContact CH2-CD1 3.73Å; W341-I363 HydrophobicContact CH2-CG2 3.81Å; W341-I363 HydrophobicContact CZ2-CG2 4.35Å; W341-I363 HydrophobicContact CZ3-CD1 3.83Å; W341-L366 HydrophobicContact CD2-CD2 3.77Å; W341-L366 HydrophobicContact CE3-CD2 4Å; W341-L366 HydrophobicContact CG-CD2 4.21Å; W341-L366 HydrophobicContact CH2-CB 3.57Å; W341-L366 HydrophobicContact CH2-CD2 4.21Å; W341-L366 HydrophobicContact CH2-CG 4.44Å; W341-L366 HydrophobicContact CZ2-CB 3.37Å; W341-L366 HydrophobicContact CZ2-CD2 4.03Å; W341-L366 HydrophobicContact CZ2-CG 4.34Å; W341-L366 HydrophobicContact CZ3-CB 4.32Å; W341-L366 HydrophobicContact CZ3-CD2 4.21Å
342	D	94.9	Very high	90.2	Very high	147 Å²	147	62.4 Å²	62.4	79%	0.786	32%	0.316	S	S	*	.	H	α-helix	trans	-68.4	-33.9	176.8	-66.1	-24.8	0	0	0	110.7	D340	D340-D342 PolarHBondContact OD1-N 3.3Å
343	H	94.2	Very high	91.6	Very high	37 Å²	37	63.9 Å²	63.9	17%	0.171	31%	0.314	C	S	.	.	H	α-helix	trans	-71	-39.8	174	-154.8	63.1	0	0	0	113	F278 E318 N320 D340 W341 P346	F278-H343 AromaticContact CE2-CD2 3.59Å; F278-H343 AromaticContact CZ-CD2 3.99Å; E318-H343 IonicContact OE1-CD2 3.9Å; E318-H343 PolarHBondContact OE1-CD2 2.72Å; E318-H343 IonicContact OE1-NE2 2.65Å; E318-H343 IonicContact OE2-CD2 3.39Å; E318-H343 PolarHBondContact OE2-CD2 2.9Å; E318-H343 IonicContact OE2-NE2 3.21Å; E318-H343 PolarHBondContact OE2-NE2 3.39Å; N320-H343 PolarHBondContact O-CE1 2.99Å; N320-H343 PolarHBondContact O-NE2 3.39Å; D340-H343 HydrophobicContact CB-CB 3.97Å; D340-H343 VanDerWaalsContact CG-CB 3.48Å; D340-H343 WeakPolarHBondContact OD1-CB 3.38Å; D340-H343 PolarHBondContact OD1-N 3.47Å; W341-H343 VanDerWaalsContact C-N 3.3Å; W341-H343 PolarHBondContact O-N 2.93Å; H343-P346 VanDerWaalsContact O-CD 3.29Å; H343-P346 WeakPolarHBondContact O-CD 3.36Å
344	F	94.9	Very high	92.4	Very high	1 Å²	1	62 Å²	62	0%	0.004	31%	0.305	C	S	.	.	H	α-helix	trans	-76.8	-21.5	-178.9	-170.8	-101.2	0	0	0	113.6	F278 L280 D340 W341 P346 M347 L348 L366	F278-F344 HydrophobicContact CB-CD2 3.68Å; F278-F344 HydrophobicContact CB-CE2 4.1Å; F278-F344 HydrophobicContact CG-CD2 4.45Å; L280-F344 HydrophobicContact CB-CE1 3.85Å; L280-F344 HydrophobicContact CB-CZ 3.61Å; L280-F344 HydrophobicContact CD1-CE1 4.48Å; L280-F344 HydrophobicContact CD2-CE1 4.25Å; L280-F344 HydrophobicContact CG-CE1 4.44Å; D340-F344 WeakPolarHBondContact O-CB 3.42Å; D340-F344 PolarHBondContact O-N 3.48Å; W341-F344 PolarHBondContact O-N 3Å; F344-P346 VanDerWaalsContact C-CD 3.46Å; F344-P346 VanDerWaalsContact O-N 3.17Å; F344-M347 HydrophobicContact CD2-CB 4.48Å; F344-M347 HydrophobicContact CD2-CE 3.54Å; F344-M347 HydrophobicContact CE2-CB 4.34Å; F344-M347 HydrophobicContact CE2-CE 3.53Å; F344-M347 PolarHBondContact O-N 3.31Å; F344-L348 HydrophobicContact CD1-CB 3.94Å; F344-L348 HydrophobicContact CE1-CB 3.88Å; F344-L348 PolarHBondContact O-N 3.49Å; F344-L366 HydrophobicContact CB-CD1 4.34Å; F344-L366 HydrophobicContact CB-CD2 4.01Å; F344-L366 HydrophobicContact CD1-CD1 4.09Å; F344-L366 HydrophobicContact CD2-CD1 3.71Å; F344-L366 HydrophobicContact CE1-CD1 4.35Å; F344-L366 HydrophobicContact CE2-CD1 3.96Å; F344-L366 HydrophobicContact CG-CD1 3.77Å; F344-L366 HydrophobicContact CG-CD2 4.27Å; F344-L366 HydrophobicContact CZ-CD1 4.29Å
345	E	95.1	Very high	93.3	Very high	93 Å²	93	61.9 Å²	61.9	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-44.7	-48.1	-176.9	-176.4	-71.8	139.6	0	0	113.9	W341 M347 L348 S349	W341-E345 PolarHBondContact O-N 2.96Å; E345-M347 PolarHBondContact O-N 3.06Å; E345-L348 CarbonylContact O-C 3.58Å; E345-L348 WeakPolarHBondContact O-CB 3.45Å; E345-L348 PolarHBondContact O-N 3.04Å; E345-L348 VanDerWaalsContact O-N 3.07Å; E345-S349 WeakPolarHBondContact O-CB 3.4Å; E345-S349 PolarHBondContact O-N 3.22Å; E345-S349 WeakPolarHBondContact OE1-CB 3.37Å; E345-S349 PolarHBondContact OE1-OG 2.58Å
346	P	94.5	Very high	94.1	Very high	78 Å²	78	58.6 Å²	58.6	51%	0.506	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-29.1	-176.2	-23.7	36.2	0	0	0	112.9	H343 F344 A350	H343-P346 VanDerWaalsContact O-CD 3.29Å; H343-P346 WeakPolarHBondContact O-CD 3.36Å; F344-P346 VanDerWaalsContact C-CD 3.46Å; F344-P346 VanDerWaalsContact O-N 3.17Å; P346-A350 WeakPolarHBondContact O-CB 3.41Å; P346-A350 PolarHBondContact O-N 2.58Å; P346-A350 VanDerWaalsContact O-N 3.11Å
347	M	94.3	Very high	94.5	Very high	8 Å²	8	62 Å²	62	4%	0.039	31%	0.307	C	S	.	.	H	α-helix	trans	-79.6	-35.4	174.9	-59.8	-155.2	-59.9	0	0	111.8	F278 G316 E318 F344 E345 A350 L351	F278-M347 HydrophobicContact CB-CE 4.12Å; G316-M347 VanDerWaalsContact C-SD 3.5Å; G316-M347 WeakPolarHBondContact CA-SD 3.26Å; E318-M347 HydrophobicContact CG-CE 3.82Å; E318-M347 HydrophobicContact CG-CG 4.11Å; E318-M347 HydrophobicContact CG-SD 3.68Å; F344-M347 HydrophobicContact CD2-CB 4.48Å; F344-M347 HydrophobicContact CD2-CE 3.54Å; F344-M347 HydrophobicContact CE2-CB 4.34Å; F344-M347 HydrophobicContact CE2-CE 3.53Å; F344-M347 PolarHBondContact O-N 3.31Å; E345-M347 PolarHBondContact O-N 3.06Å; M347-A350 PolarHBondContact O-N 3.14Å; M347-L351 WeakPolarHBondContact O-CB 3.43Å; M347-L351 PolarHBondContact O-N 3.1Å
348	L	95.6	Very high	94.8	Very high	43 Å²	43	60.5 Å²	60.5	23%	0.225	30%	0.3	C	S	.	.	H	α-helix	trans	-62.8	-45.6	170.7	-179.7	57.3	0	0	0	111.2	L280 F344 E345 A350 L351 L352	L280-L348 HydrophobicContact CD2-CD1 4.16Å; F344-L348 HydrophobicContact CD1-CB 3.94Å; F344-L348 HydrophobicContact CE1-CB 3.88Å; F344-L348 PolarHBondContact O-N 3.49Å; E345-L348 CarbonylContact O-C 3.58Å; E345-L348 WeakPolarHBondContact O-CB 3.45Å; E345-L348 PolarHBondContact O-N 3.04Å; E345-L348 VanDerWaalsContact O-N 3.07Å; L348-A350 VanDerWaalsContact C-N 3.32Å; L348-A350 PolarHBondContact O-N 3.46Å; L348-L351 HydrophobicContact CD1-CD2 4.28Å; L348-L351 WeakPolarHBondContact O-CB 3.24Å; L348-L351 PolarHBondContact O-N 3.43Å; L348-L352 HydrophobicContact CD1-CD1 4.31Å; L348-L352 HydrophobicContact CD1-CG 4.25Å; L348-L352 HydrophobicContact CG-CD1 4.24Å; L348-L352 WeakPolarHBondContact O-CG 3.47Å; L348-L352 PolarHBondContact O-N 2.83Å
349	S	96	Very high	94.9	Very high	47 Å²	47	59.7 Å²	59.7	33%	0.329	30%	0.296	S	S	.	.	H	α-helix	trans	-61.7	-36.5	174.3	-89	0	0	0	0	112.8	E345 R353	E345-S349 WeakPolarHBondContact O-CB 3.4Å; E345-S349 PolarHBondContact O-N 3.22Å; E345-S349 WeakPolarHBondContact OE1-CB 3.37Å; E345-S349 PolarHBondContact OE1-OG 2.58Å; S349-R353 WeakPolarHBondContact O-CB 3.47Å; S349-R353 PolarHBondContact O-N 3.34Å; S349-R353 VanDerWaalsContact O-N 3.09Å
350	A	95.9	Very high	94.8	Very high	9 Å²	9	61.3 Å²	61.3	7%	0.074	31%	0.312	C	S	.	.	H	α-helix	trans	-69.2	-41.3	172.3	0	0	0	0	0	112.6	G301 M303 P346 M347 L348 R353 R354	G301-A350 WeakPolarHBondContact O-CB 3.42Å; M303-A350 HydrophobicContact CG-CB 4.48Å; P346-A350 WeakPolarHBondContact O-CB 3.41Å; P346-A350 PolarHBondContact O-N 2.58Å; P346-A350 VanDerWaalsContact O-N 3.11Å; M347-A350 PolarHBondContact O-N 3.14Å; L348-A350 VanDerWaalsContact C-N 3.32Å; L348-A350 PolarHBondContact O-N 3.46Å; A350-R353 PolarHBondContact O-N 3.1Å; A350-R354 WeakPolarHBondContact O-CB 3.46Å; A350-R354 PolarHBondContact O-N 2.92Å
351	L	96.6	Very high	94.7	Very high	2 Å²	2	60 Å²	60	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-60.3	-48.3	174.4	168.8	64.4	0	0	0	111.4	L280 M303 L312 M347 L348 R353 R354 M355 I358	L280-L351 HydrophobicContact CD2-CD2 4.29Å; M303-L351 HydrophobicContact CE-CB 4.12Å; M303-L351 HydrophobicContact CE-CD1 3.49Å; M303-L351 VanDerWaalsContact CE-CD1 3.49Å; M303-L351 HydrophobicContact CE-CG 4.39Å; L312-L351 HydrophobicContact CD2-CD1 3.88Å; M347-L351 WeakPolarHBondContact O-CB 3.43Å; M347-L351 PolarHBondContact O-N 3.1Å; L348-L351 HydrophobicContact CD1-CD2 4.28Å; L348-L351 WeakPolarHBondContact O-CB 3.24Å; L348-L351 PolarHBondContact O-N 3.43Å; L351-R353 VanDerWaalsContact C-N 3.35Å; L351-R353 PolarHBondContact O-N 3.47Å; L351-R354 CarbonylContact O-C 3.23Å; L351-R354 PolarHBondContact O-N 3.29Å; L351-R354 VanDerWaalsContact O-N 3.12Å; L351-M355 HydrophobicContact CD1-CB 4.43Å; L351-M355 HydrophobicContact CD1-CG 4.43Å; L351-M355 HydrophobicContact CD1-SD 4.12Å; L351-M355 PolarHBondContact O-N 3.28Å; L351-I358 HydrophobicContact CD1-CD1 3.72Å; L351-I358 HydrophobicContact CD2-CD1 3.9Å; L351-I358 HydrophobicContact CG-CD1 3.77Å
352	L	96.8	Very high	94.7	Very high	57 Å²	57	61.4 Å²	61.4	30%	0.298	32%	0.319	S	S	.	.	H	α-helix	trans	-64.6	-36.9	178.2	-69.1	174.9	0	0	0	112	L348 R354 M355 P356 I358 E359	L348-L352 HydrophobicContact CD1-CD1 4.31Å; L348-L352 HydrophobicContact CD1-CG 4.25Å; L348-L352 HydrophobicContact CG-CD1 4.24Å; L348-L352 WeakPolarHBondContact O-CG 3.47Å; L348-L352 PolarHBondContact O-N 2.83Å; L352-R354 VanDerWaalsContact C-N 3.33Å; L352-R354 PolarHBondContact O-N 3.01Å; L352-M355 CarbonylContact O-C 3.6Å; L352-P356 WeakPolarHBondContact O-CA 3.11Å; L352-P356 VanDerWaalsContact O-N 3.11Å; L352-I358 HydrophobicContact CD2-CG1 4.11Å; L352-E359 HydrophobicContact CD2-CB 4.28Å
353	R	96.6	Very high	94.7	Very high	144 Å²	144	58 Å²	58	54%	0.543	30%	0.299	S	S	.	.	H	α-helix	trans	-61.6	-40.4	171	-176.2	-178	-61	122.7	8.6	112.3	N182 S349 A350 L351	N182-R353 WeakPolarHBondContact CB-O 3.4Å; N182-R353 PolarHBondContact ND2-O 3.48Å; S349-R353 WeakPolarHBondContact O-CB 3.47Å; S349-R353 PolarHBondContact O-N 3.34Å; S349-R353 VanDerWaalsContact O-N 3.09Å; A350-R353 PolarHBondContact O-N 3.1Å; L351-R353 VanDerWaalsContact C-N 3.35Å; L351-R353 PolarHBondContact O-N 3.47Å
354	R	97.1	Very high	94.8	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-79.8	-28.9	-177.9	-175.8	54.1	61.3	-136.8	-11.9	113.1	L142 Q144 V181 N182 D185 I296 D298 A350 L351 L352	L142-R354 HydrophobicContact CD1-CG 4.35Å; Q144-R354 VanDerWaalsContact NE2-NH2 3.2Å; V181-R354 WeakPolarHBondContact CA-O 3.48Å; N182-R354 PolarHBondContact N-O 2.96Å; N182-R354 PolarHBondContact O-NH1 2.85Å; D185-R354 IonicContact OD1-CZ 3.58Å; D185-R354 IonicContact OD1-NH1 3.59Å; D185-R354 PolarHBondContact OD1-NH1 3.36Å; D185-R354 IonicContact OD1-NH2 3.52Å; D185-R354 IonicContact OD2-CZ 2.79Å; D185-R354 IonicContact OD2-NH1 3.41Å; D185-R354 PolarHBondContact OD2-NH1 3.01Å; D185-R354 IonicContact OD2-NH2 3.37Å; D185-R354 PolarHBondContact OD2-NH2 3.3Å; I296-R354 HydrophobicContact CG2-CG 4.47Å; D298-R354 IonicContact OD2-CZ 2.72Å; D298-R354 VanDerWaalsContact OD2-CZ 3.24Å; D298-R354 IonicContact OD2-NE 3.71Å; D298-R354 PolarHBondContact OD2-NE 3.2Å; D298-R354 IonicContact OD2-NH2 3.92Å; D298-R354 PolarHBondContact OD2-NH2 2.97Å; A350-R354 WeakPolarHBondContact O-CB 3.46Å; A350-R354 PolarHBondContact O-N 2.92Å; L351-R354 CarbonylContact O-C 3.23Å; L351-R354 PolarHBondContact O-N 3.29Å; L351-R354 VanDerWaalsContact O-N 3.12Å; L352-R354 VanDerWaalsContact C-N 3.33Å; L352-R354 PolarHBondContact O-N 3.01Å
355	M	96.1	Very high	94.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.33	C	S	.	.			trans	-137.5	64.5	-177.1	-62.9	-172.2	179.5	0	0	111.8	L180 V181 I296 A305 L312 L351 L352 H357 I358	L180-M355 WeakPolarHBondContact O-CA 3.26Å; V181-M355 HydrophobicContact CG2-CE 4.06Å; I296-M355 HydrophobicContact CB-CE 3.99Å; I296-M355 HydrophobicContact CG1-CE 3.52Å; I296-M355 HydrophobicContact CG2-CE 4.45Å; A305-M355 HydrophobicContact CB-CE 3.84Å; A305-M355 HydrophobicContact CB-SD 4.38Å; L312-M355 HydrophobicContact CD1-SD 4.28Å; L312-M355 HydrophobicContact CD2-SD 3.91Å; L351-M355 HydrophobicContact CD1-CB 4.43Å; L351-M355 HydrophobicContact CD1-CG 4.43Å; L351-M355 HydrophobicContact CD1-SD 4.12Å; L351-M355 PolarHBondContact O-N 3.28Å; L352-M355 CarbonylContact O-C 3.6Å; M355-H357 PolarHBondContact O-N 2.87Å; M355-I358 HydrophobicContact CB-CD1 4.15Å; M355-I358 HydrophobicContact CB-CG1 4.39Å; M355-I358 HydrophobicContact CB-CG2 4.3Å; M355-I358 WeakPolarHBondContact O-CG1 3.4Å; M355-I358 PolarHBondContact O-N 3.19Å; M355-I358 VanDerWaalsContact O-N 3.08Å
356	P	95.1	Very high	94.8	Very high	55 Å²	55	60.1 Å²	60.1	36%	0.357	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-59.3	-29	-170.3	22.4	-34.1	0	0	0	114.2	N182 L352 I358 E359	N182-P356 HydrophobicContact CB-CG 4.4Å; L352-P356 WeakPolarHBondContact O-CA 3.11Å; L352-P356 VanDerWaalsContact O-N 3.11Å; P356-I358 PolarHBondContact O-N 3.07Å; P356-E359 WeakPolarHBondContact O-CB 3.45Å; P356-E359 PolarHBondContact O-N 3.35Å; P356-E359 VanDerWaalsContact O-N 3.13Å
357	H	90.4	Very high	94.8	Very high	138 Å²	138	56.5 Å²	56.5	64%	0.639	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-63.8	-8.4	178.1	-60	97.8	0	0	0	114.9	L180 M355	L180-H357 HydrophobicContact CD2-CB 4.04Å; M355-H357 PolarHBondContact O-N 2.87Å
358	I	92.9	Very high	94.8	Very high	12 Å²	12	56.2 Å²	56.2	6%	0.062	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-97.1	5.8	176	84.2	-176.9	0	0	0	113.4	L180 L312 L351 L352 M355 P356 T360 A361	L180-I358 HydrophobicContact CD1-CG2 4.07Å; L312-I358 HydrophobicContact CD2-CD1 3.58Å; L351-I358 HydrophobicContact CD1-CD1 3.72Å; L351-I358 HydrophobicContact CD2-CD1 3.9Å; L351-I358 HydrophobicContact CG-CD1 3.77Å; L352-I358 HydrophobicContact CD2-CG1 4.11Å; M355-I358 HydrophobicContact CB-CD1 4.15Å; M355-I358 HydrophobicContact CB-CG1 4.39Å; M355-I358 HydrophobicContact CB-CG2 4.3Å; M355-I358 WeakPolarHBondContact O-CG1 3.4Å; M355-I358 PolarHBondContact O-N 3.19Å; M355-I358 VanDerWaalsContact O-N 3.08Å; P356-I358 PolarHBondContact O-N 3.07Å; I358-T360 PolarHBondContact O-N 3.45Å; I358-T360 VanDerWaalsContact O-N 3.15Å; I358-A361 HydrophobicContact CB-CB 4.1Å; I358-A361 WeakPolarHBondContact O-CB 3.38Å; I358-A361 PolarHBondContact O-N 3.33Å
359	E	92.6	Very high	94.5	Very high	157 Å²	157	54.2 Å²	54.2	73%	0.734	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-34.9	177.9	-176.6	176.8	-168.9	0	0	113.1	L352 P356	L352-E359 HydrophobicContact CD2-CB 4.28Å; P356-E359 WeakPolarHBondContact O-CB 3.45Å; P356-E359 PolarHBondContact O-N 3.35Å; P356-E359 VanDerWaalsContact O-N 3.13Å
360	T	91.1	Very high	94.2	Very high	115 Å²	115	52.1 Å²	52.1	71%	0.706	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	10.7	177.5	64.5	0	0	0	0	113.9	I358	I358-T360 PolarHBondContact O-N 3.45Å; I358-T360 VanDerWaalsContact O-N 3.15Å
361	A	93.8	Very high	94	Very high	24 Å²	24	52.4 Å²	52.4	20%	0.198	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-75.2	129.2	-178.7	0	0	0	0	0	111.2	T282 L285 I358 I363	T282-A361 HydrophobicContact CG2-CB 4.4Å; L285-A361 HydrophobicContact CD2-CB 3.65Å; I358-A361 HydrophobicContact CB-CB 4.1Å; I358-A361 WeakPolarHBondContact O-CB 3.38Å; I358-A361 PolarHBondContact O-N 3.33Å; A361-I363 PolarHBondContact O-N 3.3Å
362	E	94.7	Very high	93.8	Very high	121 Å²	121	52.4 Å²	52.4	57%	0.565	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-70	128.5	175.1	-72	-174.2	-146.4	0	0	111.2	T282 K283	T282-E362 CarbonylContact C-O 3.48Å; T282-E362 WeakPolarHBondContact CA-O 3.33Å; T282-E362 WeakPolarHBondContact CB-O 3.3Å; K283-E362 HydrophobicContact CB-CB 4.18Å; K283-E362 HydrophobicContact CD-CB 3.8Å; K283-E362 WeakPolarHBondContact CD-OE2 3.35Å; K283-E362 WeakPolarHBondContact CE-OE2 3.29Å; K283-E362 HydrophobicContact CG-CB 4.14Å; K283-E362 PolarHBondContact N-O 3.21Å; K283-E362 IonicContact NZ-OE2 2.64Å; K283-E362 PolarHBondContact NZ-OE2 2.93Å
363	I	95.3	Very high	93.7	Very high	74 Å²	74	49.9 Å²	49.9	38%	0.379	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	137.6	173.5	-67.3	171.7	0	0	0	109.5	L280 W341 A361	L280-I363 HydrophobicContact CD1-CD1 4.2Å; L280-I363 HydrophobicContact CD1-CG1 4.11Å; L280-I363 HydrophobicContact CD1-CG2 3.85Å; W341-I363 HydrophobicContact CH2-CD1 3.73Å; W341-I363 HydrophobicContact CH2-CG2 3.81Å; W341-I363 HydrophobicContact CZ2-CG2 4.35Å; W341-I363 HydrophobicContact CZ3-CD1 3.83Å; A361-I363 PolarHBondContact O-N 3.3Å
364	H	95.4	Very high	93.7	Very high	106 Å²	106	43.1 Å²	43.1	49%	0.491	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-49.1	169.6	177.1	46.8	0	0	0	111.2	L281 K283 W308	L281-H364 HydrophobicContact CB-CB 4.21Å; L281-H364 WeakPolarHBondContact O-CA 3.37Å; L281-H364 WeakPolarHBondContact O-CB 3.1Å; L281-H364 PolarHBondContact O-N 3.03Å; K283-H364 HydrophobicContact CG-CB 4.11Å; W308-H364 AromaticContact CH2-CD2 3.83Å
365	Q	95.3	Very high	93.6	Very high	69 Å²	69	43.3 Å²	43.3	32%	0.322	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	147.9	-178.6	178.9	168.3	26.4	0	0	110.8	L281 N336 V367	L281-Q365 PolarHBondContact N-O 2.9Å; L281-Q365 PolarHBondContact O-N 3.28Å; N336-Q365 PolarHBondContact ND2-NE2 3.23Å; Q365-V367 HydrophobicContact CG-CG2 3.94Å
366	L	95.7	Very high	93.5	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.5	157.1	175.3	60.3	0	0	0	108.4	F278 L280 E339 W341 F344	F278-L366 HydrophobicContact CD1-CD1 4.37Å; L280-L366 HydrophobicContact CD1-CB 4.47Å; E339-L366 HydrophobicContact CB-CD2 4.28Å; E339-L366 HydrophobicContact CG-CB 4.11Å; E339-L366 WeakPolarHBondContact CG-O 3.31Å; E339-L366 PolarHBondContact OE1-N 3.02Å; W341-L366 HydrophobicContact CD2-CD2 3.77Å; W341-L366 HydrophobicContact CE3-CD2 4Å; W341-L366 HydrophobicContact CG-CD2 4.21Å; W341-L366 HydrophobicContact CH2-CB 3.57Å; W341-L366 HydrophobicContact CH2-CD2 4.21Å; W341-L366 HydrophobicContact CH2-CG 4.44Å; W341-L366 HydrophobicContact CZ2-CB 3.37Å; W341-L366 HydrophobicContact CZ2-CD2 4.03Å; W341-L366 HydrophobicContact CZ2-CG 4.34Å; W341-L366 HydrophobicContact CZ3-CB 4.32Å; W341-L366 HydrophobicContact CZ3-CD2 4.21Å; F344-L366 HydrophobicContact CB-CD1 4.34Å; F344-L366 HydrophobicContact CB-CD2 4.01Å; F344-L366 HydrophobicContact CD1-CD1 4.09Å; F344-L366 HydrophobicContact CD2-CD1 3.71Å; F344-L366 HydrophobicContact CE1-CD1 4.35Å; F344-L366 HydrophobicContact CE2-CD1 3.96Å; F344-L366 HydrophobicContact CG-CD1 3.77Å; F344-L366 HydrophobicContact CG-CD2 4.27Å; F344-L366 HydrophobicContact CZ-CD1 4.29Å
367	V	94.3	Very high	93.4	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.1	177.1	-178.4	0	0	0	0	108.8	F278 Y279 L281 Q365 C369	F278-V367 WeakPolarHBondContact CA-O 3.32Å; Y279-V367 HydrophobicContact CD1-CB 4.11Å; Y279-V367 HydrophobicContact CD1-CG1 4.34Å; Y279-V367 HydrophobicContact CD2-CB 4.07Å; Y279-V367 HydrophobicContact CD2-CG2 4.21Å; Y279-V367 HydrophobicContact CE1-CB 3.75Å; Y279-V367 HydrophobicContact CE1-CG1 3.62Å; Y279-V367 HydrophobicContact CE1-CG2 4.42Å; Y279-V367 HydrophobicContact CE2-CB 3.7Å; Y279-V367 HydrophobicContact CE2-CG1 4.28Å; Y279-V367 HydrophobicContact CE2-CG2 3.56Å; Y279-V367 HydrophobicContact CG-CB 4.27Å; Y279-V367 PolarHBondContact N-O 2.94Å; Y279-V367 PolarHBondContact O-N 2.85Å; L281-V367 HydrophobicContact CD1-CG2 4.24Å; Q365-V367 HydrophobicContact CG-CG2 3.94Å; V367-C369 HydrophobicContact CG1-CB 4.29Å
368	N	93.2	Very high	93.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.011	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.6	163.7	-173.6	-2.2	0	0	0	108.8	E276 F278 M337 Q338	E276-N368 WeakPolarHBondContact CB-OD1 3.34Å; E276-N368 PolarHBondContact OE2-ND2 2.97Å; F278-N368 HydrophobicContact CD1-CB 3.88Å; F278-N368 HydrophobicContact CE1-CB 3.58Å; F278-N368 WeakPolarHBondContact CE1-ND2 3.14Å; F278-N368 HydrophobicContact CZ-CB 4.24Å; F278-N368 VanDerWaalsContact CZ-CG 3.46Å; F278-N368 VanDerWaalsContact CZ-ND2 3.33Å; F278-N368 WeakPolarHBondContact CZ-ND2 3.35Å; M337-N368 HydrophobicContact CB-CB 4.16Å; M337-N368 WeakPolarHBondContact CE-OD1 3.33Å; M337-N368 PolarHBondContact N-O 3.33Å; Q338-N368 WeakPolarHBondContact O-CB 3.44Å; Q338-N368 PolarHBondContact O-ND2 3.15Å
369	C	89.8	Confident	93.8	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.014	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	149.1	-176.1	64.5	0	0	0	0	112.9	L96 H277 M337 V367	L96-C369 HydrophobicContact CB-CB 4.19Å; L96-C369 HydrophobicContact CD1-CB 3.48Å; L96-C369 VanDerWaalsContact CD1-CB 3.48Å; L96-C369 HydrophobicContact CG-CB 4.4Å; H277-C369 PolarHBondContact N-O 2.94Å; H277-C369 PolarHBondContact O-N 3.2Å; H277-C369 PolarHBondContact O-SG 2.86Å; M337-C369 VanDerWaalsContact CE-C 3.44Å; V367-C369 HydrophobicContact CG1-CB 4.29Å
370	P	90.2	Very high	94.1	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.013	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	136.1	176.2	32.5	-36.5	0	0	0	112.5	T93 I324 F325 I334 M337	T93-P370 WeakPolarHBondContact CG2-O 3.29Å; T93-P370 PolarHBondContact OG1-O 2.96Å; I324-P370 HydrophobicContact CD1-CB 3.41Å; I324-P370 VanDerWaalsContact CD1-CB 3.41Å; F325-P370 HydrophobicContact CE2-CB 3.77Å; F325-P370 HydrophobicContact CE2-CG 4.5Å; F325-P370 HydrophobicContact CZ-CB 4.16Å; I334-P370 HydrophobicContact CB-CG 4.17Å; I334-P370 HydrophobicContact CD1-CG 3.68Å; I334-P370 HydrophobicContact CG1-CG 3.61Å; I334-P370 VanDerWaalsContact CG2-CD 3.49Å; I334-P370 HydrophobicContact CG2-CG 3.46Å; I334-P370 VanDerWaalsContact CG2-CG 3.46Å; M337-P370 HydrophobicContact CE-CB 4.28Å; M337-P370 HydrophobicContact SD-CB 4.4Å
371	E	90.8	Very high	94.4	Very high	15 Å²	15	26.9 Å²	26.9	7%	0.07	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.7	172.1	179.4	58.8	-85.2	0	0	111.4	T93 G274 C275 H277 F373 S398	T93-E371 HydrophobicContact CG2-CB 4.34Å; G274-E371 CarbonylContact C-O 3.44Å; G274-E371 WeakPolarHBondContact CA-O 3.32Å; C275-E371 PolarHBondContact N-O 3.16Å; C275-E371 PolarHBondContact O-N 3.26Å; H277-E371 HydrophobicContact CB-CB 4.34Å; E371-F373 HydrophobicContact CB-CE2 3.96Å; E371-F373 HydrophobicContact CB-CZ 4.24Å; E371-F373 HydrophobicContact CG-CE2 3.94Å; E371-F373 HydrophobicContact CG-CZ 3.89Å; E371-S398 WeakPolarHBondContact CG-OG 3.47Å; E371-S398 WeakPolarHBondContact OE2-CA 3.3Å
372	S	92.2	Very high	94.6	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	128	-175	62.2	0	0	0	0	112.8	H273 N397	H273-S372 WeakPolarHBondContact O-CA 3.42Å; S372-N397 WeakPolarHBondContact O-CA 3.25Å; S372-N397 PolarHBondContact O-N 3.37Å; S372-N397 VanDerWaalsContact O-N 3.16Å
373	F	95.6	Very high	94.7	Very high	3 Å²	3	21 Å²	21	1%	0.013	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.8	178.8	-59.8	-89.2	0	0	0	111.5	L272 H273 C275 F317 E371 N397 S398 V446 V449 M450 L453	L272-F373 CarbonylContact C-O 3.57Å; L272-F373 WeakPolarHBondContact CA-O 3.44Å; L272-F373 WeakPolarHBondContact CB-O 3.27Å; H273-F373 PolarHBondContact N-O 3.33Å; H273-F373 PolarHBondContact O-N 3.49Å; C275-F373 HydrophobicContact CB-CD2 3.77Å; C275-F373 HydrophobicContact CB-CE2 3.73Å; F317-F373 HydrophobicContact CE1-CE1 4.29Å; F317-F373 HydrophobicContact CE1-CZ 4.4Å; E371-F373 HydrophobicContact CB-CE2 3.96Å; E371-F373 HydrophobicContact CB-CZ 4.24Å; E371-F373 HydrophobicContact CG-CE2 3.94Å; E371-F373 HydrophobicContact CG-CZ 3.89Å; F373-N397 WeakPolarHBondContact CA-OD1 3.5Å; F373-N397 HydrophobicContact CD1-CB 4.14Å; F373-S398 WeakPolarHBondContact CE1-OG 3.34Å; F373-S398 VanDerWaalsContact CZ-OG 3.23Å; F373-S398 WeakPolarHBondContact CZ-OG 3.29Å; F373-V446 HydrophobicContact CB-CG2 3.93Å; F373-V446 HydrophobicContact CD2-CG2 4Å; F373-V446 HydrophobicContact CG-CG2 4.24Å; F373-V449 HydrophobicContact CB-CG2 4.07Å; F373-M450 HydrophobicContact CD1-CB 4.48Å; F373-M450 HydrophobicContact CE1-CB 4.37Å; F373-M450 HydrophobicContact CE1-CG 4.07Å; F373-M450 HydrophobicContact CE2-CG 4.21Å; F373-M450 HydrophobicContact CZ-CB 4.46Å; F373-M450 HydrophobicContact CZ-CG 3.82Å; F373-L453 HydrophobicContact CD1-CD1 4.17Å; F373-L453 HydrophobicContact CE1-CD1 3.65Å
374	T	96.6	Very high	94.7	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.012	8%	0.083	C	C	.	.			trans	-110.2	158.8	-176.6	56.2	0	0	0	0	110.8	L272 D376 M377 R378 L380 G395 N397	L272-T374 HydrophobicContact CB-CG2 4.29Å; T374-D376 PolarHBondContact O-N 2.98Å; T374-M377 PolarHBondContact O-N 3.08Å; T374-M377 PolarHBondContact OG1-N 3.05Å; T374-R378 WeakPolarHBondContact CB-O 3.39Å; T374-R378 WeakPolarHBondContact CG2-O 3.32Å; T374-R378 PolarHBondContact OG1-N 3.32Å; T374-R378 PolarHBondContact OG1-O 3.13Å; T374-L380 HydrophobicContact CG2-CD1 4.46Å; T374-L380 HydrophobicContact CG2-CD2 4.37Å; T374-L380 HydrophobicContact CG2-CG 4.01Å; T374-G395 WeakPolarHBondContact CG2-O 3.47Å; T374-N397 PolarHBondContact N-OD1 3.21Å; T374-N397 PolarHBondContact OG1-ND2 3.13Å; T374-N397 VanDerWaalsContact OG1-ND2 3.14Å; T374-N397 PolarHBondContact OG1-OD1 2.78Å
375	P	94.9	Very high	94.5	Very high	6 Å²	6	14.6 Å²	14.6	4%	0.039	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.2	-177.1	-27.4	32.7	0	0	0	116.8	P271 F432 F441 L442 R445 V449	P271-P375 HydrophobicContact CB-CG 4Å; P271-P375 WeakPolarHBondContact O-CD 3.46Å; P375-F432 HydrophobicContact CB-CE1 3.8Å; P375-F432 HydrophobicContact CB-CZ 3.87Å; P375-F432 HydrophobicContact CG-CE1 4.1Å; P375-F432 HydrophobicContact CG-CZ 4.03Å; P375-F441 HydrophobicContact CB-CE1 3.95Å; P375-F441 HydrophobicContact CB-CZ 4.45Å; P375-F441 HydrophobicContact CG-CE1 3.96Å; P375-L442 HydrophobicContact CG-CD2 3.81Å; P375-R445 HydrophobicContact CB-CG 4Å; P375-R445 WeakPolarHBondContact O-CD 3.3Å; P375-V449 WeakPolarHBondContact O-CG1 2.9Å
376	D	93.4	Very high	94.1	Very high	28 Å²	28	13.5 Å²	13.5	15%	0.15	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	12.8	-176.3	73.4	-21.4	0	0	0	114.3	T374 R378 R431 F432	T374-D376 PolarHBondContact O-N 2.98Å; D376-R378 VanDerWaalsContact C-N 3.28Å; D376-R378 PolarHBondContact O-N 2.91Å; D376-R378 PolarHBondContact OD1-N 3.2Å; D376-R378 IonicContact OD2-NH1 3.65Å; D376-R431 IonicContact OD1-CZ 3.79Å; D376-R431 IonicContact OD1-NE 2.75Å; D376-R431 IonicContact OD1-NH2 3.18Å; D376-R431 PolarHBondContact OD1-NH2 3.43Å; D376-R431 IonicContact OD2-CZ 2.98Å; D376-R431 IonicContact OD2-NE 3.79Å; D376-R431 PolarHBondContact OD2-NE 3.4Å; D376-R431 IonicContact OD2-NH2 2.73Å; D376-R431 PolarHBondContact OD2-NH2 2.92Å; D376-F432 HydrophobicContact CB-CZ 4.08Å; D376-F432 WeakPolarHBondContact OD1-CZ 3.42Å
377	M	94.2	Very high	94.1	Very high	23 Å²	23	13.7 Å²	13.7	11%	0.113	8%	0.08	C	C	.	.	S	Bend	trans	63.4	21.2	-176.3	-54.1	160.7	-81.6	0	0	115.1	T374 N397 V449 L452 L453 W461 F463	T374-M377 PolarHBondContact O-N 3.08Å; T374-M377 PolarHBondContact OG1-N 3.05Å; M377-N397 PolarHBondContact O-ND2 3.4Å; M377-V449 HydrophobicContact CG-CB 3.72Å; M377-V449 HydrophobicContact CG-CG1 4.2Å; M377-L452 HydrophobicContact CE-CB 4.3Å; M377-L452 HydrophobicContact SD-CB 3.64Å; M377-L453 HydrophobicContact CB-CD2 3.97Å; M377-L453 HydrophobicContact CG-CD2 4.05Å; M377-L453 HydrophobicContact SD-CD2 4.23Å; M377-W461 HydrophobicContact CE-CH2 3.6Å; M377-W461 HydrophobicContact CE-CZ2 3.8Å; M377-F463 HydrophobicContact CE-CE1 4.21Å; M377-F463 HydrophobicContact CE-CZ 4.16Å
378	R	95.4	Very high	94.2	Very high	82 Å²	82	16.4 Å²	16.4	31%	0.309	10%	0.099	S	C	.	.	S	Bend	trans	-124.6	147.1	-179.9	-61.2	175.9	-172	160.9	0.1	111.2	T374 D376 N397 P426 L427 R431	T374-R378 WeakPolarHBondContact CB-O 3.39Å; T374-R378 WeakPolarHBondContact CG2-O 3.32Å; T374-R378 PolarHBondContact OG1-N 3.32Å; T374-R378 PolarHBondContact OG1-O 3.13Å; D376-R378 VanDerWaalsContact C-N 3.28Å; D376-R378 PolarHBondContact O-N 2.91Å; D376-R378 PolarHBondContact OD1-N 3.2Å; D376-R378 IonicContact OD2-NH1 3.65Å; R378-N397 WeakPolarHBondContact CA-ND2 3.26Å; R378-N397 PolarHBondContact N-ND2 3.44Å; R378-N397 PolarHBondContact O-ND2 2.91Å; R378-P426 WeakPolarHBondContact CD-O 3.42Å; R378-L427 HydrophobicContact CB-CD2 4.02Å; R378-R431 PolarHBondContact O-NH2 3.44Å
379	C	96	Very high	94.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.099	C	C	.	.			trans	-61.6	159.1	-180	62.5	0	0	0	0	113.1	G395 M396 R431	C379-G395 WeakPolarHBondContact CA-O 3.35Å; C379-M396 HydrophobicContact CB-CE 4.22Å; C379-M396 HydrophobicContact CB-SD 3.72Å; C379-R431 PolarHBondContact O-NH1 2.79Å; C379-R431 PolarHBondContact O-NH2 3.28Å
380	L	97.6	Very high	94.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.3	171.6	-56.4	175.8	0	0	0	107.5	V270 P271 L272 T374 V392 L393 A394 F432	V270-L380 HydrophobicContact CG1-CD1 3.67Å; P271-L380 HydrophobicContact CG-CD1 4.25Å; P271-L380 HydrophobicContact CG-CD2 4.05Å; L272-L380 HydrophobicContact CD2-CD1 4.49Å; T374-L380 HydrophobicContact CG2-CD1 4.46Å; T374-L380 HydrophobicContact CG2-CD2 4.37Å; T374-L380 HydrophobicContact CG2-CG 4.01Å; L380-V392 HydrophobicContact CB-CG1 3.94Å; L380-L393 VanDerWaalsContact O-CA 3.28Å; L380-L393 WeakPolarHBondContact O-CA 3.34Å; L380-A394 PolarHBondContact N-O 3.09Å; L380-A394 PolarHBondContact O-N 3.47Å; L380-A394 VanDerWaalsContact O-N 3.09Å; L380-F432 HydrophobicContact CD2-CD2 3.76Å; L380-F432 HydrophobicContact CD2-CE2 3.61Å
381	M	97.8	Very high	95.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	144.6	-178.5	-178.6	179.3	-73.1	0	0	110.8	M113 V392 L393 A407 L411 W414 V424 L427 D428 I429	M113-M381 HydrophobicContact SD-CE 4.17Å; M381-V392 CarbonylContact C-O 3.4Å; M381-V392 VanDerWaalsContact CA-O 3.28Å; M381-V392 WeakPolarHBondContact CA-O 3.34Å; M381-L393 HydrophobicContact CB-CD1 3.98Å; M381-L393 HydrophobicContact CE-CD1 3.69Å; M381-L393 HydrophobicContact CG-CD1 4.08Å; M381-A407 HydrophobicContact CE-CB 3.8Å; M381-L411 HydrophobicContact CG-CD1 4.43Å; M381-W414 HydrophobicContact CG-CE3 4.39Å; M381-W414 HydrophobicContact CG-CZ3 4.29Å; M381-V424 HydrophobicContact SD-CB 4.09Å; M381-V424 HydrophobicContact SD-CG1 4.03Å; M381-V424 HydrophobicContact SD-CG2 4.26Å; M381-L427 HydrophobicContact CB-CB 4.21Å; M381-L427 HydrophobicContact CE-CD1 4.46Å; M381-L427 PolarHBondContact N-O 3.18Å; M381-D428 CarbonylContact O-C 3.48Å; M381-D428 WeakPolarHBondContact O-CA 3.08Å; M381-I429 PolarHBondContact O-N 2.99Å
382	G	97.4	Very high	95.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.9	-176.4	165.1	0	0	0	0	0	114.9	Y391 V392 W414	G382-Y391 WeakPolarHBondContact O-CA 3.36Å; G382-V392 PolarHBondContact N-O 2.91Å; G382-V392 PolarHBondContact O-N 2.94Å; G382-W414 VanDerWaalsContact CA-CZ3 3.47Å
383	E	97.1	Very high	95.8	Very high	22 Å²	22	16 Å²	16	10%	0.103	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	138.6	-179.5	-166.4	175.2	-135.4	0	0	111.3	G389 Y390 Y391 I429 K430	E383-G389 PolarHBondContact OE1-N 3.46Å; E383-Y390 WeakPolarHBondContact CA-O 3.35Å; E383-Y391 HydrophobicContact CB-CD1 3.96Å; E383-Y391 HydrophobicContact CB-CE1 3.62Å; E383-Y391 HydrophobicContact CB-CE2 4.3Å; E383-Y391 HydrophobicContact CB-CG 4.49Å; E383-Y391 HydrophobicContact CG-CE1 4.31Å; E383-Y391 HydrophobicContact CG-CE2 4.1Å; E383-I429 WeakPolarHBondContact O-CG2 3.5Å; E383-K430 WeakPolarHBondContact O-CE 3.28Å
384	T	95.6	Very high	95.9	Very high	6 Å²	6	16 Å²	16	4%	0.037	10%	0.096	C	C	.	.			trans	-70.2	149	177.7	73.7	0	0	0	0	110.9	V268 G386 V387 Y390 V392	V268-T384 HydrophobicContact CG1-CG2 3.43Å; V268-T384 VanDerWaalsContact CG1-CG2 3.43Å; T384-G386 VanDerWaalsContact C-N 3.28Å; T384-G386 PolarHBondContact O-N 2.88Å; T384-V387 PolarHBondContact OG1-N 2.97Å; T384-V387 PolarHBondContact OG1-O 3.35Å; T384-V387 VanDerWaalsContact OG1-O 3.1Å; T384-Y390 HydrophobicContact CG2-CD1 3.53Å; T384-Y390 HydrophobicContact CG2-CE1 4.22Å; T384-Y390 HydrophobicContact CG2-CG 4.13Å; T384-Y390 WeakPolarHBondContact CG2-O 3.43Å; T384-Y390 PolarHBondContact N-O 3.46Å; T384-V392 HydrophobicContact CG2-CG2 4Å
385	P	91.7	Very high	95.9	Very high	38 Å²	38	16 Å²	16	25%	0.247	10%	0.096	C	C	.	.	S	Bend	trans	-68.7	-22.5	-174.5	25.9	-35.1	0	0	0	114.5	K430 V608 W611	P385-K430 HydrophobicContact CB-CG 4.26Å; P385-V608 HydrophobicContact CB-CG1 3.59Å; P385-V608 HydrophobicContact CG-CG1 3.67Å; P385-W611 WeakPolarHBondContact O-CZ3 3.32Å
386	G	87.6	Confident	95.8	Very high	47 Å²	47	16.1 Å²	16.1	49%	0.485	10%	0.097	S	C	.	.	S	Bend	trans	-118.5	-3.2	-170.9	0	0	0	0	0	116.2	T384	T384-G386 VanDerWaalsContact C-N 3.28Å; T384-G386 PolarHBondContact O-N 2.88Å
387	V	95.1	Very high	95.9	Very high	4 Å²	4	15 Å²	15	2%	0.024	9%	0.091	C	C	.	.	S	Bend	trans	-135	108.8	176	-175.6	0	0	0	0	109.4	V229 G232 V234 V266 V268 T384 Y390	V229-V387 HydrophobicContact CB-CG1 4.44Å; V229-V387 HydrophobicContact CG1-CG1 3.81Å; V229-V387 HydrophobicContact CG1-CG2 4.26Å; V229-V387 HydrophobicContact CG2-CG1 3.68Å; V229-V387 HydrophobicContact CG2-CG2 4.48Å; G232-V387 CarbonylContact O-C 3.53Å; G232-V387 WeakPolarHBondContact O-CA 3.48Å; V234-V387 HydrophobicContact CG2-CG1 3.89Å; V266-V387 HydrophobicContact CG1-CG2 3.64Å; V268-V387 HydrophobicContact CG2-CG2 4.15Å; T384-V387 PolarHBondContact OG1-N 2.97Å; T384-V387 PolarHBondContact OG1-O 3.35Å; T384-V387 VanDerWaalsContact OG1-O 3.1Å; V387-Y390 PolarHBondContact O-N 3.34Å
388	S	95.6	Very high	95.7	Very high	59 Å²	59	15.6 Å²	15.6	41%	0.413	10%	0.097	S	C	.	.	B	Isolated β-bridge	trans	-62.2	135.9	174.4	-173.3	0	0	0	0	110.2	G232 Q233 V234 Y390	G232-S388 PolarHBondContact O-N 2.92Å; Q233-S388 WeakPolarHBondContact CA-O 3.4Å; V234-S388 PolarHBondContact N-O 2.9Å; S388-Y390 PolarHBondContact O-N 2.91Å
389	G	97.2	Very high	95.6	Very high	1 Å²	1	13 Å²	13	1%	0.01	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-9.1	-177.8	0	0	0	0	0	115.1	Y248 F249 E383 Y391	Y248-G389 WeakPolarHBondContact CA-O 3.09Å; F249-G389 PolarHBondContact N-O 3.19Å; E383-G389 PolarHBondContact OE1-N 3.46Å; G389-Y391 WeakPolarHBondContact O-CD2 3.22Å
390	Y	98.3	Very high	95.3	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	112.8	172.3	-162.6	-57.2	0	0	0	109.7	V227 V234 F249 N251 V268 E383 T384 V387 S388 V392	V227-Y390 HydrophobicContact CB-CD2 4.42Å; V227-Y390 HydrophobicContact CB-CE2 4.09Å; V227-Y390 HydrophobicContact CG1-CD2 4.15Å; V227-Y390 HydrophobicContact CG1-CE2 4.31Å; V227-Y390 HydrophobicContact CG2-CD2 4.4Å; V227-Y390 HydrophobicContact CG2-CE2 3.77Å; V234-Y390 HydrophobicContact CG2-CD2 4.36Å; F249-Y390 HydrophobicContact CD1-CD1 4.26Å; F249-Y390 AromaticContact CD1-CD2 3.93Å; F249-Y390 HydrophobicContact CD1-CD2 3.93Å; F249-Y390 AromaticContact CD1-CE1 3.98Å; F249-Y390 HydrophobicContact CD1-CE1 3.98Å; F249-Y390 AromaticContact CD1-CE2 3.65Å; F249-Y390 HydrophobicContact CD1-CE2 3.65Å; F249-Y390 HydrophobicContact CD1-CG 4.24Å; F249-Y390 AromaticContact CD1-CZ 3.67Å; F249-Y390 HydrophobicContact CE1-CE1 4.27Å; F249-Y390 AromaticContact CE1-CE2 3.98Å; F249-Y390 HydrophobicContact CE1-CE2 3.98Å; F249-Y390 AromaticContact CE1-CZ 3.74Å; N251-Y390 HydrophobicContact CB-CE1 3.74Å; N251-Y390 PolarHBondContact ND2-OH 2.93Å; V268-Y390 HydrophobicContact CB-CE1 4.46Å; V268-Y390 HydrophobicContact CB-CE2 4.4Å; V268-Y390 HydrophobicContact CG1-CD1 4.23Å; V268-Y390 HydrophobicContact CG1-CE1 3.93Å; V268-Y390 HydrophobicContact CG2-CD1 4.48Å; V268-Y390 HydrophobicContact CG2-CD2 3.87Å; V268-Y390 HydrophobicContact CG2-CE1 4.41Å; V268-Y390 HydrophobicContact CG2-CE2 3.77Å; V268-Y390 HydrophobicContact CG2-CG 4.23Å; E383-Y390 WeakPolarHBondContact CA-O 3.35Å; T384-Y390 HydrophobicContact CG2-CD1 3.53Å; T384-Y390 HydrophobicContact CG2-CE1 4.22Å; T384-Y390 HydrophobicContact CG2-CG 4.13Å; T384-Y390 WeakPolarHBondContact CG2-O 3.43Å; T384-Y390 PolarHBondContact N-O 3.46Å; V387-Y390 PolarHBondContact O-N 3.34Å; S388-Y390 PolarHBondContact O-N 2.91Å; Y390-V392 HydrophobicContact CD1-CG2 4.25Å; Y390-V392 HydrophobicContact CE1-CG2 3.95Å
391	Y	98.6	Very high	95.2	Very high	14 Å²	14	13.8 Å²	13.8	6%	0.055	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	153.6	176.7	-70.3	-101	0	0	0	111.3	Y248 F249 V250 N251 G382 E383 G389 L411 M415	Y248-Y391 HydrophobicContact CD1-CD2 4.38Å; Y248-Y391 AromaticContact CD1-CE2 3.84Å; Y248-Y391 HydrophobicContact CD1-CE2 3.84Å; Y248-Y391 HydrophobicContact CE1-CE2 4.27Å; F249-Y391 PolarHBondContact O-N 2.72Å; V250-Y391 WeakPolarHBondContact CA-O 3.33Å; N251-Y391 PolarHBondContact N-O 3.24Å; G382-Y391 WeakPolarHBondContact O-CA 3.36Å; E383-Y391 HydrophobicContact CB-CD1 3.96Å; E383-Y391 HydrophobicContact CB-CE1 3.62Å; E383-Y391 HydrophobicContact CB-CE2 4.3Å; E383-Y391 HydrophobicContact CB-CG 4.49Å; E383-Y391 HydrophobicContact CG-CE1 4.31Å; E383-Y391 HydrophobicContact CG-CE2 4.1Å; G389-Y391 WeakPolarHBondContact O-CD2 3.22Å; Y391-L411 HydrophobicContact CD1-CD1 3.67Å; Y391-L411 HydrophobicContact CE1-CD1 4.46Å; Y391-L411 HydrophobicContact CG-CD1 4.42Å; Y391-M415 HydrophobicContact CD1-CG 3.77Å; Y391-M415 HydrophobicContact CD1-SD 4.35Å; Y391-M415 HydrophobicContact CD2-CE 4.11Å; Y391-M415 HydrophobicContact CD2-CG 4.19Å; Y391-M415 HydrophobicContact CD2-SD 4.34Å; Y391-M415 HydrophobicContact CE1-CG 3.66Å; Y391-M415 HydrophobicContact CE2-CE 4.47Å; Y391-M415 HydrophobicContact CE2-CG 4.16Å; Y391-M415 HydrophobicContact CG-CE 4.46Å; Y391-M415 HydrophobicContact CG-CG 4.02Å; Y391-M415 HydrophobicContact CG-SD 4.12Å
392	V	98.5	Very high	95.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.2	175.9	176.6	0	0	0	0	109.8	N251 V270 L380 M381 G382 T384 Y390 A394 I429	N251-V392 HydrophobicContact CB-CG2 4.3Å; V270-V392 HydrophobicContact CG1-CG1 4.04Å; V270-V392 HydrophobicContact CG2-CG2 4.06Å; L380-V392 HydrophobicContact CB-CG1 3.94Å; M381-V392 CarbonylContact C-O 3.4Å; M381-V392 VanDerWaalsContact CA-O 3.28Å; M381-V392 WeakPolarHBondContact CA-O 3.34Å; G382-V392 PolarHBondContact N-O 2.91Å; G382-V392 PolarHBondContact O-N 2.94Å; T384-V392 HydrophobicContact CG2-CG2 4Å; Y390-V392 HydrophobicContact CD1-CG2 4.25Å; Y390-V392 HydrophobicContact CE1-CG2 3.95Å; V392-A394 HydrophobicContact CG1-CB 3.96Å; V392-I429 HydrophobicContact CB-CD1 3.79Å; V392-I429 HydrophobicContact CG1-CD1 4.08Å; V392-I429 HydrophobicContact CG2-CD1 3.58Å
393	L	98.5	Very high	95.1	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	92.2	159.4	-166.5	54.6	0	0	0	110.7	V65 V69 N251 L380 M381 M396 A407 L411	V65-L393 HydrophobicContact CG1-CB 3.92Å; V65-L393 HydrophobicContact CG1-CD2 3.57Å; V65-L393 HydrophobicContact CG1-CG 3.5Å; V65-L393 VanDerWaalsContact CG1-CG 3.5Å; V65-L393 WeakPolarHBondContact CG1-O 3.34Å; V69-L393 HydrophobicContact CG2-CD2 3.71Å; N251-L393 PolarHBondContact O-N 3.14Å; L380-L393 VanDerWaalsContact O-CA 3.28Å; L380-L393 WeakPolarHBondContact O-CA 3.34Å; M381-L393 HydrophobicContact CB-CD1 3.98Å; M381-L393 HydrophobicContact CE-CD1 3.69Å; M381-L393 HydrophobicContact CG-CD1 4.08Å; L393-M396 HydrophobicContact CD1-CE 3.73Å; L393-M396 HydrophobicContact CD2-CE 4.38Å; L393-M396 HydrophobicContact CG-CE 3.62Å; L393-A407 HydrophobicContact CD1-CB 4.19Å; L393-A407 HydrophobicContact CD2-CB 4.01Å; L393-L411 HydrophobicContact CB-CD2 3.76Å; L393-L411 HydrophobicContact CD2-CB 4.32Å; L393-L411 HydrophobicContact CD2-CD2 4.13Å; L393-L411 HydrophobicContact CG-CD2 4.46Å
394	A	97.4	Very high	95.1	Very high	2 Å²	2	13.1 Å²	13.1	2%	0.017	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	177.7	-169.6	0	0	0	0	0	113.1	A257 L272 L380 V392	A257-A394 HydrophobicContact CB-CB 3.73Å; L272-A394 HydrophobicContact CD2-CB 3.83Å; L380-A394 PolarHBondContact N-O 3.09Å; L380-A394 PolarHBondContact O-N 3.47Å; L380-A394 VanDerWaalsContact O-N 3.09Å; V392-A394 HydrophobicContact CG1-CB 3.96Å
395	G	95.4	Very high	95.2	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.01	9%	0.093	C	C	.	.			trans	65	59	174.1	0	0	0	0	0	112.9	T374 C379 N397	T374-G395 WeakPolarHBondContact CG2-O 3.47Å; C379-G395 WeakPolarHBondContact CA-O 3.35Å; G395-N397 VanDerWaalsContact C-N 3.28Å; G395-N397 PolarHBondContact O-N 2.96Å; G395-N397 PolarHBondContact O-ND2 2.91Å
396	M	94.3	Very high	95.5	Very high	10 Å²	10	11 Å²	11	5%	0.049	8%	0.081	C	C	.	.			trans	-80.4	-0.5	-168.2	-68.8	-69.2	170.2	0	0	115.2	V65 C379 L393 S398 S399 G400 F403 A407	V65-M396 HydrophobicContact CB-CE 4.48Å; V65-M396 HydrophobicContact CG1-CE 3.76Å; V65-M396 HydrophobicContact CG2-CE 3.81Å; V65-M396 HydrophobicContact CG2-CG 4.08Å; C379-M396 HydrophobicContact CB-CE 4.22Å; C379-M396 HydrophobicContact CB-SD 3.72Å; L393-M396 HydrophobicContact CD1-CE 3.73Å; L393-M396 HydrophobicContact CD2-CE 4.38Å; L393-M396 HydrophobicContact CG-CE 3.62Å; M396-S398 PolarHBondContact O-N 3.29Å; M396-S399 PolarHBondContact O-N 3.17Å; M396-G400 VanDerWaalsContact CB-CA 3.43Å; M396-F403 HydrophobicContact SD-CB 4.21Å; M396-F403 HydrophobicContact SD-CD2 4.37Å; M396-A407 HydrophobicContact CE-CB 4.49Å
397	N	93.8	Very high	96	Very high	4 Å²	4	8.8 Å²	8.8	2%	0.021	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	52.5	175	-46.9	-79.9	0	0	0	112.4	S372 F373 T374 M377 R378 G395 S399	S372-N397 WeakPolarHBondContact O-CA 3.25Å; S372-N397 PolarHBondContact O-N 3.37Å; S372-N397 VanDerWaalsContact O-N 3.16Å; F373-N397 WeakPolarHBondContact CA-OD1 3.5Å; F373-N397 HydrophobicContact CD1-CB 4.14Å; T374-N397 PolarHBondContact N-OD1 3.21Å; T374-N397 PolarHBondContact OG1-ND2 3.13Å; T374-N397 VanDerWaalsContact OG1-ND2 3.14Å; T374-N397 PolarHBondContact OG1-OD1 2.78Å; M377-N397 PolarHBondContact O-ND2 3.4Å; R378-N397 WeakPolarHBondContact CA-ND2 3.26Å; R378-N397 PolarHBondContact N-ND2 3.44Å; R378-N397 PolarHBondContact O-ND2 2.91Å; G395-N397 VanDerWaalsContact C-N 3.28Å; G395-N397 PolarHBondContact O-N 2.96Å; G395-N397 PolarHBondContact O-ND2 2.91Å; N397-S399 PolarHBondContact O-N 2.84Å
398	S	91.1	Very high	96.1	Very high	35 Å²	35	8.6 Å²	8.6	25%	0.245	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	5.1	-177.4	-43.4	0	0	0	0	116.4	F317 E371 F373 M396	F317-S398 WeakPolarHBondContact CE1-OG 3.09Å; E371-S398 WeakPolarHBondContact CG-OG 3.47Å; E371-S398 WeakPolarHBondContact OE2-CA 3.3Å; F373-S398 WeakPolarHBondContact CE1-OG 3.34Å; F373-S398 VanDerWaalsContact CZ-OG 3.23Å; F373-S398 WeakPolarHBondContact CZ-OG 3.29Å; M396-S398 PolarHBondContact O-N 3.29Å
399	S	92.3	Very high	96.3	Very high	28 Å²	28	7.6 Å²	7.6	20%	0.196	5%	0.045	C	C	.	.			trans	-107.2	14.9	178.9	-71.7	0	0	0	0	113.2	K105 M396 N397 L401 A402 F403	K105-S399 PolarHBondContact NZ-OG 2.97Å; M396-S399 PolarHBondContact O-N 3.17Å; N397-S399 PolarHBondContact O-N 2.84Å; S399-L401 VanDerWaalsContact C-N 3.33Å; S399-L401 PolarHBondContact O-N 3.44Å; S399-A402 PolarHBondContact O-N 2.85Å; S399-F403 WeakPolarHBondContact O-CG 3.48Å; S399-F403 PolarHBondContact O-N 2.95Å
400	G	91.1	Very high	96.3	Very high	7 Å²	7	8.6 Å²	8.6	7%	0.072	5%	0.049	C	C	.	.	H	α-helix	trans	-55.6	-43.2	-173.6	0	0	0	0	0	114	M396 A402 F403 A404	M396-G400 VanDerWaalsContact CB-CA 3.43Å; G400-A402 PolarHBondContact O-N 3Å; G400-F403 PolarHBondContact O-N 2.64Å; G400-A404 WeakPolarHBondContact O-CB 3.45Å; G400-A404 PolarHBondContact O-N 3.04Å
401	L	94.4	Very high	96.3	Very high	9 Å²	9	8.5 Å²	8.5	5%	0.047	5%	0.048	C	C	.	.	H	α-helix	trans	-60.3	-44.4	174.7	-179.5	66.5	0	0	0	112.5	I64 C97 G99 L101 Y121 V198 S399 F403	I64-L401 HydrophobicContact CD1-CD1 3.5Å; I64-L401 VanDerWaalsContact CD1-CD1 3.5Å; C97-L401 HydrophobicContact CB-CB 4.41Å; G99-L401 WeakPolarHBondContact O-CD2 3.29Å; L101-L401 HydrophobicContact CD2-CD2 4.33Å; L101-L401 HydrophobicContact CD2-CG 3.88Å; Y121-L401 HydrophobicContact CE2-CD1 4.22Å; Y121-L401 VanDerWaalsContact CE2-O 3.3Å; Y121-L401 WeakPolarHBondContact CE2-O 3.42Å; Y121-L401 PolarHBondContact OH-O 2.99Å; Y121-L401 VanDerWaalsContact OH-O 3.1Å; V198-L401 HydrophobicContact CG2-CD1 3.8Å; V198-L401 HydrophobicContact CG2-CD2 3.79Å; V198-L401 HydrophobicContact CG2-CG 4.07Å; S399-L401 VanDerWaalsContact C-N 3.33Å; S399-L401 PolarHBondContact O-N 3.44Å; L401-F403 VanDerWaalsContact C-N 3.35Å; L401-F403 PolarHBondContact O-N 3.36Å
402	A	95.9	Very high	96.3	Very high	3 Å²	3	7.9 Å²	7.9	3%	0.025	5%	0.046	C	C	.	.	H	α-helix	trans	-68.7	-34.2	179	0	0	0	0	0	111.9	A114 S117 S399 G400	A114-A402 WeakPolarHBondContact CA-O 3.39Å; S117-A402 WeakPolarHBondContact CB-O 3.3Å; S117-A402 PolarHBondContact OG-O 2.97Å; S399-A402 PolarHBondContact O-N 2.85Å; G400-A402 PolarHBondContact O-N 3Å
403	F	96.8	Very high	96.3	Very high	5 Å²	5	8.6 Å²	8.6	2%	0.022	5%	0.049	C	C	.	.	H	α-helix	trans	-91.7	-28.8	-173.8	-61.9	-25.8	0	0	0	114.8	K105 E110 M113 S117 M396 S399 G400 L401 G405 G406 A407	K105-F403 HydrophobicContact CD-CE1 3.75Å; K105-F403 HydrophobicContact CD-CZ 3.84Å; K105-F403 HydrophobicContact CG-CE1 3.95Å; K105-F403 HydrophobicContact CG-CZ 4.37Å; E110-F403 HydrophobicContact CB-CE1 3.7Å; E110-F403 HydrophobicContact CB-CZ 3.79Å; E110-F403 HydrophobicContact CG-CE1 4.07Å; E110-F403 HydrophobicContact CG-CE2 4.33Å; E110-F403 HydrophobicContact CG-CZ 3.72Å; M113-F403 HydrophobicContact CB-CD1 4.42Å; M113-F403 HydrophobicContact CE-CB 4.39Å; M113-F403 HydrophobicContact CE-CD1 4.19Å; M113-F403 HydrophobicContact CE-CG 4.15Å; S117-F403 PolarHBondContact OG-O 2.76Å; M396-F403 HydrophobicContact SD-CB 4.21Å; M396-F403 HydrophobicContact SD-CD2 4.37Å; S399-F403 WeakPolarHBondContact O-CG 3.48Å; S399-F403 PolarHBondContact O-N 2.95Å; G400-F403 PolarHBondContact O-N 2.64Å; L401-F403 VanDerWaalsContact C-N 3.35Å; L401-F403 PolarHBondContact O-N 3.36Å; F403-G405 PolarHBondContact O-N 3.15Å; F403-G406 PolarHBondContact O-N 3.01Å; F403-A407 WeakPolarHBondContact O-CB 3.35Å; F403-A407 PolarHBondContact O-N 2.74Å
404	A	97.1	Very high	96.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-57.1	-40.2	-163.3	0	0	0	0	0	114.8	I64 V65 S68 G400 G408	I64-A404 HydrophobicContact CB-CB 4.31Å; I64-A404 HydrophobicContact CD1-CB 4.25Å; I64-A404 HydrophobicContact CG1-CB 3.86Å; I64-A404 HydrophobicContact CG2-CB 3.86Å; V65-A404 HydrophobicContact CG2-CB 4.23Å; S68-A404 VanDerWaalsContact CB-O 3.24Å; S68-A404 WeakPolarHBondContact CB-O 3.48Å; S68-A404 PolarHBondContact OG-O 3.15Å; G400-A404 WeakPolarHBondContact O-CB 3.45Å; G400-A404 PolarHBondContact O-N 3.04Å; A404-G408 PolarHBondContact O-N 3.33Å
405	G	97.8	Very high	96.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59	-59.5	176.1	0	0	0	0	0	111.7	H72 S117 Y121 F403 A407 G408 K409	H72-G405 PolarHBondContact CE1-O 3.3Å; S117-G405 WeakPolarHBondContact OG-CA 2.99Å; S117-G405 PolarHBondContact OG-N 3.05Å; S117-G405 VanDerWaalsContact OG-N 3.15Å; Y121-G405 PolarHBondContact OH-N 2.87Å; Y121-G405 VanDerWaalsContact OH-N 3.07Å; F403-G405 PolarHBondContact O-N 3.15Å; G405-A407 PolarHBondContact O-N 3.26Å; G405-G408 PolarHBondContact O-N 3.17Å; G405-K409 PolarHBondContact O-N 2.9Å; G405-K409 VanDerWaalsContact O-N 3.1Å
406	G	97.9	Very high	96.4	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66.6	-35.4	-179.5	0	0	0	0	0	114	S117 F403 K409 Y410	S117-G406 PolarHBondContact OG-N 3.01Å; F403-G406 PolarHBondContact O-N 3.01Å; G406-K409 PolarHBondContact O-N 2.97Å; G406-Y410 WeakPolarHBondContact O-CD2 3.33Å; G406-Y410 PolarHBondContact O-N 2.98Å
407	A	98.2	Very high	96.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-69.3	-41.6	178.7	0	0	0	0	0	112	M113 M381 L393 M396 F403 G405 Y410 L411	M113-A407 HydrophobicContact SD-CB 3.68Å; M381-A407 HydrophobicContact CE-CB 3.8Å; L393-A407 HydrophobicContact CD1-CB 4.19Å; L393-A407 HydrophobicContact CD2-CB 4.01Å; M396-A407 HydrophobicContact CE-CB 4.49Å; F403-A407 WeakPolarHBondContact O-CB 3.35Å; F403-A407 PolarHBondContact O-N 2.74Å; G405-A407 PolarHBondContact O-N 3.26Å; A407-Y410 PolarHBondContact O-N 3.38Å; A407-L411 PolarHBondContact O-N 2.81Å
408	G	98.5	Very high	96.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.4	-42.7	173.5	0	0	0	0	0	112	A404 G405 A412	A404-G408 PolarHBondContact O-N 3.33Å; G405-G408 PolarHBondContact O-N 3.17Å; G408-A412 VanDerWaalsContact O-CB 3.26Å; G408-A412 WeakPolarHBondContact O-CB 3.37Å; G408-A412 PolarHBondContact O-N 2.93Å
409	K	98.6	Very high	96.5	Very high	39 Å²	39	21.5 Å²	21.5	17%	0.17	11%	0.112	C	C	.	.	H	α-helix	trans	-55.4	-56.8	171.5	174.4	178.7	175	-65.3	0	111.9	H72 Y116 G405 G406 L411 A412 E413 T421	H72-K409 PolarHBondContact ND1-N 2.82Å; Y116-K409 HydrophobicContact CD1-CB 4.49Å; Y116-K409 HydrophobicContact CD1-CD 4.27Å; Y116-K409 HydrophobicContact CD2-CD 3.98Å; Y116-K409 HydrophobicContact CE1-CB 3.97Å; Y116-K409 HydrophobicContact CE1-CD 3.88Å; Y116-K409 HydrophobicContact CE2-CD 3.59Å; Y116-K409 HydrophobicContact CG-CD 4.31Å; G405-K409 PolarHBondContact O-N 2.9Å; G405-K409 VanDerWaalsContact O-N 3.1Å; G406-K409 PolarHBondContact O-N 2.97Å; K409-L411 VanDerWaalsContact C-N 3.31Å; K409-L411 PolarHBondContact O-N 3.05Å; K409-A412 PolarHBondContact O-N 3.44Å; K409-E413 WeakPolarHBondContact CE-OE1 3.48Å; K409-E413 HydrophobicContact CG-CG 4.43Å; K409-E413 IonicContact NZ-OE1 3.25Å; K409-E413 PolarHBondContact NZ-OE1 3Å; K409-E413 IonicContact NZ-OE2 2.82Å; K409-E413 PolarHBondContact NZ-OE2 2.93Å; K409-E413 VanDerWaalsContact O-CG 3.32Å; K409-E413 WeakPolarHBondContact O-CG 3.39Å; K409-E413 PolarHBondContact O-N 2.81Å; K409-T421 PolarHBondContact NZ-OG1 2.63Å
410	Y	98.5	Very high	96.5	Very high	21 Å²	21	20.6 Å²	20.6	8%	0.082	11%	0.105	C	C	.	.	H	α-helix	trans	-65.2	-33.9	-174.6	-70.9	-53.4	0	0	0	112.9	I109 M113 G406 A407 E413 W414 P420 T421 A422 V424	I109-Y410 HydrophobicContact CD1-CD2 4.16Å; I109-Y410 HydrophobicContact CD1-CE2 3.65Å; M113-Y410 HydrophobicContact CG-CD2 3.72Å; M113-Y410 HydrophobicContact CG-CE2 3.68Å; M113-Y410 HydrophobicContact SD-CD2 4.29Å; G406-Y410 WeakPolarHBondContact O-CD2 3.33Å; G406-Y410 PolarHBondContact O-N 2.98Å; A407-Y410 PolarHBondContact O-N 3.38Å; Y410-E413 WeakPolarHBondContact CD1-OE2 3.45Å; Y410-W414 WeakPolarHBondContact O-CB 3.34Å; Y410-W414 PolarHBondContact O-N 2.91Å; Y410-W414 VanDerWaalsContact O-N 3.1Å; Y410-P420 HydrophobicContact CD1-CB 4.44Å; Y410-T421 WeakPolarHBondContact CE1-OG1 3.41Å; Y410-A422 HydrophobicContact CD1-CB 4.29Å; Y410-A422 HydrophobicContact CE1-CB 3.53Å; Y410-V424 HydrophobicContact CG-CG1 4.29Å
411	L	98.7	Very high	96.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-69.8	-44.3	173.3	-177.8	62.1	0	0	0	112	V69 V250 M381 Y391 L393 A407 K409 E413 W414 M415	V69-L411 HydrophobicContact CG2-CD2 4.04Å; V250-L411 HydrophobicContact CG1-CD2 3.69Å; M381-L411 HydrophobicContact CG-CD1 4.43Å; Y391-L411 HydrophobicContact CD1-CD1 3.67Å; Y391-L411 HydrophobicContact CE1-CD1 4.46Å; Y391-L411 HydrophobicContact CG-CD1 4.42Å; L393-L411 HydrophobicContact CB-CD2 3.76Å; L393-L411 HydrophobicContact CD2-CB 4.32Å; L393-L411 HydrophobicContact CD2-CD2 4.13Å; L393-L411 HydrophobicContact CG-CD2 4.46Å; A407-L411 PolarHBondContact O-N 2.81Å; K409-L411 VanDerWaalsContact C-N 3.31Å; K409-L411 PolarHBondContact O-N 3.05Å; L411-E413 VanDerWaalsContact C-N 3.33Å; L411-E413 PolarHBondContact O-N 2.83Å; L411-W414 WeakPolarHBondContact O-CB 3.32Å; L411-W414 PolarHBondContact O-N 2.7Å; L411-W414 VanDerWaalsContact O-N 3.1Å; L411-M415 HydrophobicContact CD1-CG 4.38Å; L411-M415 HydrophobicContact CG-CG 4.49Å; L411-M415 HydrophobicContact CG-SD 4.19Å; L411-M415 WeakPolarHBondContact O-CG 3.33Å; L411-M415 PolarHBondContact O-N 3.42Å
412	A	98.6	Very high	96.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-43.4	178	0	0	0	0	0	111.5	H72 L73 L76 G408 K409 W414 M415 T416	H72-A412 HydrophobicContact CB-CB 3.52Å; L73-A412 HydrophobicContact CD2-CB 3.83Å; L73-A412 HydrophobicContact CG-CB 3.85Å; L76-A412 HydrophobicContact CD1-CB 3.94Å; G408-A412 VanDerWaalsContact O-CB 3.26Å; G408-A412 WeakPolarHBondContact O-CB 3.37Å; G408-A412 PolarHBondContact O-N 2.93Å; K409-A412 PolarHBondContact O-N 3.44Å; A412-W414 VanDerWaalsContact C-N 3.33Å; A412-W414 PolarHBondContact O-N 3.29Å; A412-M415 PolarHBondContact O-N 3.16Å; A412-T416 WeakPolarHBondContact O-CB 3.28Å; A412-T416 PolarHBondContact O-N 3.03Å; A412-T416 PolarHBondContact O-OG1 3.08Å
413	E	97.9	Very high	96.4	Very high	15 Å²	15	25.7 Å²	25.7	7%	0.07	14%	0.135	C	C	.	.	H	α-helix	trans	-57.9	-44	171.6	-70.8	175.5	161.3	0	0	112.2	L76 K409 Y410 L411 M415 T416 Y417 Y419 T421	L76-E413 HydrophobicContact CD1-CG 4.19Å; K409-E413 WeakPolarHBondContact CE-OE1 3.48Å; K409-E413 HydrophobicContact CG-CG 4.43Å; K409-E413 IonicContact NZ-OE1 3.25Å; K409-E413 PolarHBondContact NZ-OE1 3Å; K409-E413 IonicContact NZ-OE2 2.82Å; K409-E413 PolarHBondContact NZ-OE2 2.93Å; K409-E413 VanDerWaalsContact O-CG 3.32Å; K409-E413 WeakPolarHBondContact O-CG 3.39Å; K409-E413 PolarHBondContact O-N 2.81Å; Y410-E413 WeakPolarHBondContact CD1-OE2 3.45Å; L411-E413 VanDerWaalsContact C-N 3.33Å; L411-E413 PolarHBondContact O-N 2.83Å; E413-M415 PolarHBondContact O-N 2.92Å; E413-T416 PolarHBondContact O-N 3.2Å; E413-Y417 HydrophobicContact CB-CD2 3.96Å; E413-Y417 HydrophobicContact CB-CE2 4.15Å; E413-Y417 HydrophobicContact CG-CD2 4.31Å; E413-Y417 HydrophobicContact CG-CE2 3.97Å; E413-Y417 WeakPolarHBondContact O-CB 3.43Å; E413-Y417 WeakPolarHBondContact O-CD2 3.5Å; E413-Y417 PolarHBondContact O-N 3.38Å; E413-Y419 CarbonylContact C-O 3.6Å; E413-T421 VanDerWaalsContact CD-CG2 3.41Å; E413-T421 VanDerWaalsContact CD-OG1 3.22Å; E413-T421 HydrophobicContact CG-CG2 4.38Å; E413-T421 WeakPolarHBondContact OE1-CG2 3.33Å; E413-T421 PolarHBondContact OE1-OG1 3.43Å; E413-T421 WeakPolarHBondContact OE2-CB 3.5Å; E413-T421 WeakPolarHBondContact OE2-CG2 3.44Å; E413-T421 PolarHBondContact OE2-N 2.71Å; E413-T421 PolarHBondContact OE2-OG1 3.36Å
414	W	96.9	Very high	96.3	Very high	34 Å²	34	25.7 Å²	25.7	13%	0.129	14%	0.135	C	C	.	.	H	α-helix	trans	-62	-43.1	178.4	-160.5	-11.4	0	0	0	111.8	M381 G382 Y410 L411 A412 G418 Y419 P420 V424 D428	M381-W414 HydrophobicContact CG-CE3 4.39Å; M381-W414 HydrophobicContact CG-CZ3 4.29Å; G382-W414 VanDerWaalsContact CA-CZ3 3.47Å; Y410-W414 WeakPolarHBondContact O-CB 3.34Å; Y410-W414 PolarHBondContact O-N 2.91Å; Y410-W414 VanDerWaalsContact O-N 3.1Å; L411-W414 WeakPolarHBondContact O-CB 3.32Å; L411-W414 PolarHBondContact O-N 2.7Å; L411-W414 VanDerWaalsContact O-N 3.1Å; A412-W414 VanDerWaalsContact C-N 3.33Å; A412-W414 PolarHBondContact O-N 3.29Å; W414-G418 PolarHBondContact NE1-O 2.71Å; W414-G418 CarbonylContact O-C 3.55Å; W414-G418 WeakPolarHBondContact O-CA 3.4Å; W414-G418 PolarHBondContact O-N 2.58Å; W414-Y419 PolarHBondContact O-N 2.89Å; W414-P420 HydrophobicContact CB-CB 4.43Å; W414-P420 HydrophobicContact CD2-CG 4.38Å; W414-P420 HydrophobicContact CE3-CG 4.44Å; W414-V424 HydrophobicContact CE3-CG2 4Å; W414-V424 HydrophobicContact CH2-CG2 4.24Å; W414-V424 HydrophobicContact CZ3-CG2 3.59Å; W414-D428 HydrophobicContact CH2-CB 4.4Å
415	M	97.9	Very high	96.1	Very high	10 Å²	10	27 Å²	27	5%	0.049	14%	0.14	C	C	.	.	H	α-helix	trans	-68.2	-41.2	175.9	-65.9	177.7	69.5	0	0	112.3	V57 L73 W78 Y248 V250 Y391 L411 A412 E413	V57-M415 HydrophobicContact CG2-CE 3.87Å; L73-M415 HydrophobicContact CD1-CE 4.4Å; L73-M415 HydrophobicContact CD1-SD 4.28Å; L73-M415 HydrophobicContact CD2-CB 4.13Å; L73-M415 HydrophobicContact CD2-SD 4.4Å; W78-M415 HydrophobicContact CH2-CB 4.14Å; W78-M415 HydrophobicContact CH2-CE 4.49Å; W78-M415 HydrophobicContact CZ2-CB 4.44Å; W78-M415 VanDerWaalsContact CZ2-O 3.29Å; W78-M415 WeakPolarHBondContact CZ2-O 3.13Å; W78-M415 HydrophobicContact CZ3-CE 4.2Å; Y248-M415 HydrophobicContact CD1-CE 4.19Å; Y248-M415 HydrophobicContact CG-CE 4.16Å; V250-M415 HydrophobicContact CG2-CE 3.63Å; V250-M415 HydrophobicContact CG2-SD 3.69Å; Y391-M415 HydrophobicContact CD1-CG 3.77Å; Y391-M415 HydrophobicContact CD1-SD 4.35Å; Y391-M415 HydrophobicContact CD2-CE 4.11Å; Y391-M415 HydrophobicContact CD2-CG 4.19Å; Y391-M415 HydrophobicContact CD2-SD 4.34Å; Y391-M415 HydrophobicContact CE1-CG 3.66Å; Y391-M415 HydrophobicContact CE2-CE 4.47Å; Y391-M415 HydrophobicContact CE2-CG 4.16Å; Y391-M415 HydrophobicContact CG-CE 4.46Å; Y391-M415 HydrophobicContact CG-CG 4.02Å; Y391-M415 HydrophobicContact CG-SD 4.12Å; L411-M415 HydrophobicContact CD1-CG 4.38Å; L411-M415 HydrophobicContact CG-CG 4.49Å; L411-M415 HydrophobicContact CG-SD 4.19Å; L411-M415 WeakPolarHBondContact O-CG 3.33Å; L411-M415 PolarHBondContact O-N 3.42Å; A412-M415 PolarHBondContact O-N 3.16Å; E413-M415 PolarHBondContact O-N 2.92Å
416	T	97.3	Very high	96	Very high	36 Å²	36	28.6 Å²	28.6	22%	0.221	15%	0.15	C	C	.	.	H	α-helix	trans	-74.4	-41.7	-177	-59.4	0	0	0	0	113.4	L76 W78 A412 E413	L76-T416 HydrophobicContact CB-CG2 4.25Å; L76-T416 HydrophobicContact CD1-CG2 4.41Å; W78-T416 PolarHBondContact NE1-OG1 2.96Å; A412-T416 WeakPolarHBondContact O-CB 3.28Å; A412-T416 PolarHBondContact O-N 3.03Å; A412-T416 PolarHBondContact O-OG1 3.08Å; E413-T416 PolarHBondContact O-N 3.2Å
417	Y	95.2	Very high	95.9	Very high	114 Å²	114	28.6 Å²	28.6	45%	0.447	15%	0.15	S	C	.	.	H	α-helix	trans	-106.6	-7.8	-172.8	-51.5	-44.8	0	0	0	113.6	L76 E413 Y419	L76-Y417 WeakPolarHBondContact CD2-OH 3.26Å; E413-Y417 HydrophobicContact CB-CD2 3.96Å; E413-Y417 HydrophobicContact CB-CE2 4.15Å; E413-Y417 HydrophobicContact CG-CD2 4.31Å; E413-Y417 HydrophobicContact CG-CE2 3.97Å; E413-Y417 WeakPolarHBondContact O-CB 3.43Å; E413-Y417 WeakPolarHBondContact O-CD2 3.5Å; E413-Y417 PolarHBondContact O-N 3.38Å; Y417-Y419 WeakPolarHBondContact O-CD1 3.47Å; Y417-Y419 WeakPolarHBondContact O-CE1 3.48Å; Y417-Y419 PolarHBondContact O-N 3.39Å
418	G	93	Very high	95.8	Very high	49 Å²	49	28.9 Å²	28.9	51%	0.505	15%	0.152	S	C	.	.	S	Bend	trans	78.7	-2.9	-168.3	0	0	0	0	0	114.1	W414	W414-G418 PolarHBondContact NE1-O 2.71Å; W414-G418 CarbonylContact O-C 3.55Å; W414-G418 WeakPolarHBondContact O-CA 3.4Å; W414-G418 PolarHBondContact O-N 2.58Å
419	Y	93	Very high	95.6	Very high	81 Å²	81	29.1 Å²	29.1	32%	0.318	15%	0.153	S	C	.	.	S	Bend	trans	-154.6	146.3	178.6	61.4	-84.7	0	0	0	112.8	E413 W414 Y417	E413-Y419 CarbonylContact C-O 3.6Å; W414-Y419 PolarHBondContact O-N 2.89Å; Y417-Y419 WeakPolarHBondContact O-CD1 3.47Å; Y417-Y419 WeakPolarHBondContact O-CE1 3.48Å; Y417-Y419 PolarHBondContact O-N 3.39Å
420	P	94.3	Very high	95.5	Very high	9 Å²	9	28.1 Å²	28.1	6%	0.058	15%	0.149	C	C	.	.			trans	-76.6	159.3	173.5	31.3	-32.9	0	0	0	111.3	Y410 W414 A422 V424 F741	Y410-P420 HydrophobicContact CD1-CB 4.44Å; W414-P420 HydrophobicContact CB-CB 4.43Å; W414-P420 HydrophobicContact CD2-CG 4.38Å; W414-P420 HydrophobicContact CE3-CG 4.44Å; P420-A422 WeakPolarHBondContact CG-O 3.47Å; P420-A422 PolarHBondContact O-N 3.24Å; P420-V424 HydrophobicContact CB-CG1 4.15Å; P420-V424 HydrophobicContact CB-CG2 4.41Å; P420-V424 HydrophobicContact CG-CG1 4.2Å; P420-V424 HydrophobicContact CG-CG2 3.71Å; P420-F741 VanDerWaalsContact O-CZ 3.31Å; P420-F741 WeakPolarHBondContact O-CZ 3.23Å
421	T	93.6	Very high	95.2	Very high	69 Å²	69	28.3 Å²	28.3	42%	0.423	15%	0.149	S	C	.	.	S	Bend	trans	-78.9	2	176.6	57.7	0	0	0	0	115.2	K409 Y410 E413	K409-T421 PolarHBondContact NZ-OG1 2.63Å; Y410-T421 WeakPolarHBondContact CE1-OG1 3.41Å; E413-T421 VanDerWaalsContact CD-CG2 3.41Å; E413-T421 VanDerWaalsContact CD-OG1 3.22Å; E413-T421 HydrophobicContact CG-CG2 4.38Å; E413-T421 WeakPolarHBondContact OE1-CG2 3.33Å; E413-T421 PolarHBondContact OE1-OG1 3.43Å; E413-T421 WeakPolarHBondContact OE2-CB 3.5Å; E413-T421 WeakPolarHBondContact OE2-CG2 3.44Å; E413-T421 PolarHBondContact OE2-N 2.71Å; E413-T421 PolarHBondContact OE2-OG1 3.36Å
422	A	92.9	Very high	95	Very high	9 Å²	9	29.3 Å²	29.3	7%	0.074	15%	0.154	C	C	.	.	S	Bend	trans	-143.6	159.4	176.3	0	0	0	0	0	111.4	I109 Y410 P420 V424 F741	I109-A422 HydrophobicContact CD1-CB 3.87Å; Y410-A422 HydrophobicContact CD1-CB 4.29Å; Y410-A422 HydrophobicContact CE1-CB 3.53Å; P420-A422 WeakPolarHBondContact CG-O 3.47Å; P420-A422 PolarHBondContact O-N 3.24Å; A422-V424 PolarHBondContact O-N 3.37Å; A422-F741 WeakPolarHBondContact O-CE2 3.44Å
423	N	92.4	Very high	94.5	Very high	48 Å²	48	29.6 Å²	29.6	26%	0.257	16%	0.157	S	C	.	.			trans	-66	107.1	173.5	179.2	1.9	0	0	0	110.7	W425 D739 F741	N423-W425 WeakPolarHBondContact OD1-CB 3.32Å; N423-W425 PolarHBondContact OD1-N 3.25Å; N423-D739 VanDerWaalsContact ND2-CB 3.26Å; N423-D739 WeakPolarHBondContact ND2-CB 3.27Å; N423-D739 VanDerWaalsContact ND2-CG 3.35Å; N423-D739 PolarHBondContact ND2-OD2 3.32Å; N423-F741 HydrophobicContact CB-CD2 3.94Å; N423-F741 HydrophobicContact CB-CE2 4.11Å; N423-F741 VanDerWaalsContact N-CE2 3.33Å
424	V	94.3	Very high	93.8	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.036	19%	0.188	C	C	.	.			trans	-103.6	8	174.8	-54.8	0	0	0	0	113.5	I109 M381 Y410 W414 P420 A422 P426 L427 D428	I109-V424 HydrophobicContact CD1-CG1 4.15Å; I109-V424 HydrophobicContact CG1-CG1 4.26Å; M381-V424 HydrophobicContact SD-CB 4.09Å; M381-V424 HydrophobicContact SD-CG1 4.03Å; M381-V424 HydrophobicContact SD-CG2 4.26Å; Y410-V424 HydrophobicContact CG-CG1 4.29Å; W414-V424 HydrophobicContact CE3-CG2 4Å; W414-V424 HydrophobicContact CH2-CG2 4.24Å; W414-V424 HydrophobicContact CZ3-CG2 3.59Å; P420-V424 HydrophobicContact CB-CG1 4.15Å; P420-V424 HydrophobicContact CB-CG2 4.41Å; P420-V424 HydrophobicContact CG-CG1 4.2Å; P420-V424 HydrophobicContact CG-CG2 3.71Å; A422-V424 PolarHBondContact O-N 3.37Å; V424-P426 VanDerWaalsContact C-N 3.27Å; V424-P426 VanDerWaalsContact O-N 3.1Å; V424-L427 CarbonylContact O-C 3.6Å; V424-L427 WeakPolarHBondContact O-CA 3.44Å; V424-L427 WeakPolarHBondContact O-CB 3.48Å; V424-L427 PolarHBondContact O-N 3.49Å; V424-D428 PolarHBondContact O-N 3.31Å; V424-D428 VanDerWaalsContact O-N 3.11Å
425	W	93.5	Very high	93.3	Very high	28 Å²	28	37.7 Å²	37.7	11%	0.106	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-47.3	-40.3	179.6	170.2	-114.2	0	0	0	114.4	N423 L427 D428 R431 D605 H609 W734	N423-W425 WeakPolarHBondContact OD1-CB 3.32Å; N423-W425 PolarHBondContact OD1-N 3.25Å; W425-L427 PolarHBondContact O-N 3.37Å; W425-D428 HydrophobicContact CE3-CB 3.76Å; W425-D428 HydrophobicContact CZ3-CB 4.07Å; W425-D428 PolarHBondContact O-N 2.99Å; W425-R431 HydrophobicContact CH2-CB 4.06Å; W425-R431 HydrophobicContact CZ2-CB 4.19Å; W425-D605 HydrophobicContact CZ2-CB 4.5Å; W425-D605 WeakPolarHBondContact CZ2-O 3.32Å; W425-H609 HydrophobicContact CH2-CB 3.89Å; W425-H609 HydrophobicContact CZ3-CB 3.78Å; W425-H609 AromaticContact CZ3-CG 3.88Å; W425-H609 AromaticContact CZ3-ND1 3.76Å; W425-W734 AromaticContact CD2-CH2 3.54Å; W425-W734 HydrophobicContact CD2-CH2 3.54Å; W425-W734 AromaticContact CD2-CZ3 3.94Å; W425-W734 HydrophobicContact CD2-CZ3 3.94Å; W425-W734 AromaticContact CE2-CH2 3.47Å; W425-W734 VanDerWaalsContact CE2-CH2 3.47Å; W425-W734 AromaticContact CE2-CZ3 3.36Å; W425-W734 AromaticContact CE3-CH2 3.74Å; W425-W734 HydrophobicContact CE3-CH2 3.74Å; W425-W734 HydrophobicContact CE3-CZ3 4.47Å; W425-W734 HydrophobicContact CG-CH2 4.19Å; W425-W734 AromaticContact CH2-CH2 3.85Å; W425-W734 HydrophobicContact CH2-CH2 3.85Å; W425-W734 HydrophobicContact CH2-CZ3 4.04Å; W425-W734 AromaticContact CZ2-CH2 3.65Å; W425-W734 HydrophobicContact CZ2-CH2 3.65Å; W425-W734 AromaticContact CZ2-CZ3 3.44Å; W425-W734 HydrophobicContact CZ2-CZ3 3.44Å; W425-W734 VanDerWaalsContact CZ2-CZ3 3.44Å; W425-W734 AromaticContact CZ3-CH2 3.89Å; W425-W734 HydrophobicContact CZ3-CH2 3.89Å; W425-W734 AromaticContact NE1-CH2 3.98Å; W425-W734 AromaticContact NE1-CZ3 3.59Å
426	P	94	Very high	92.8	Very high	33 Å²	33	37.8 Å²	37.8	21%	0.214	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-59.9	-15.3	175.1	-26.2	36.8	0	0	0	115.6	I107 R378 V424 R431	I107-P426 HydrophobicContact CD1-CB 3.64Å; I107-P426 HydrophobicContact CD1-CG 4.38Å; R378-P426 WeakPolarHBondContact CD-O 3.42Å; V424-P426 VanDerWaalsContact C-N 3.27Å; V424-P426 VanDerWaalsContact O-N 3.1Å; P426-R431 PolarHBondContact O-NE 3.46Å
427	L	96.1	Very high	92.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-113.9	-10.7	-177.2	-46.1	178.5	0	0	0	112.6	I107 I109 E110 M113 R378 M381 V424 W425 I429 R431	I107-L427 HydrophobicContact CD1-CD2 4.26Å; I109-L427 HydrophobicContact CG1-CD1 3.91Å; I109-L427 HydrophobicContact CG2-CD1 4.01Å; I109-L427 HydrophobicContact CG2-CD2 4.42Å; I109-L427 HydrophobicContact CG2-CG 4.13Å; E110-L427 HydrophobicContact CG-CD2 4.48Å; M113-L427 HydrophobicContact CE-CD1 3.48Å; M113-L427 VanDerWaalsContact CE-CD1 3.48Å; M113-L427 HydrophobicContact SD-CD1 3.92Å; R378-L427 HydrophobicContact CB-CD2 4.02Å; M381-L427 HydrophobicContact CB-CB 4.21Å; M381-L427 HydrophobicContact CE-CD1 4.46Å; M381-L427 PolarHBondContact N-O 3.18Å; V424-L427 CarbonylContact O-C 3.6Å; V424-L427 WeakPolarHBondContact O-CA 3.44Å; V424-L427 WeakPolarHBondContact O-CB 3.48Å; V424-L427 PolarHBondContact O-N 3.49Å; W425-L427 PolarHBondContact O-N 3.37Å; L427-I429 PolarHBondContact O-N 3.01Å; L427-R431 PolarHBondContact O-NH1 3.11Å
428	D	96.2	Very high	92.2	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.027	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-58.6	131.3	179.3	-173.3	-15.8	0	0	0	110.1	M381 W414 V424 W425 K430 R431 H609	M381-D428 CarbonylContact O-C 3.48Å; M381-D428 WeakPolarHBondContact O-CA 3.08Å; W414-D428 HydrophobicContact CH2-CB 4.4Å; V424-D428 PolarHBondContact O-N 3.31Å; V424-D428 VanDerWaalsContact O-N 3.11Å; W425-D428 HydrophobicContact CE3-CB 3.76Å; W425-D428 HydrophobicContact CZ3-CB 4.07Å; W425-D428 PolarHBondContact O-N 2.99Å; D428-K430 PolarHBondContact O-N 3.34Å; D428-K430 VanDerWaalsContact OD1-CB 3.3Å; D428-K430 WeakPolarHBondContact OD1-CB 3.18Å; D428-K430 WeakPolarHBondContact OD1-CG 3.48Å; D428-K430 PolarHBondContact OD1-N 3.45Å; D428-R431 WeakPolarHBondContact O-CB 3.26Å; D428-R431 VanDerWaalsContact O-CD 3.31Å; D428-R431 WeakPolarHBondContact O-CD 2.83Å; D428-R431 WeakPolarHBondContact O-CG 2.83Å; D428-R431 PolarHBondContact O-N 3.18Å; D428-R431 PolarHBondContact O-NH1 3.03Å; D428-H609 IonicContact OD2-ND1 2.74Å
429	I	95.8	Very high	91.9	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-60.8	-28.6	175.3	-167.3	163.1	0	0	0	112.2	M381 E383 V392 L427 R431 F432	M381-I429 PolarHBondContact O-N 2.99Å; E383-I429 WeakPolarHBondContact O-CG2 3.5Å; V392-I429 HydrophobicContact CB-CD1 3.79Å; V392-I429 HydrophobicContact CG1-CD1 4.08Å; V392-I429 HydrophobicContact CG2-CD1 3.58Å; L427-I429 PolarHBondContact O-N 3.01Å; I429-R431 PolarHBondContact O-N 2.89Å; I429-R431 VanDerWaalsContact O-N 3.11Å; I429-F432 PolarHBondContact O-N 2.81Å; I429-F432 VanDerWaalsContact O-N 3.16Å
430	K	94.6	Very high	91.8	Very high	19 Å²	19	36.8 Å²	36.8	8%	0.083	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-70	0.4	177.6	-56.2	178.3	-169.5	-170.9	0	113.9	E383 P385 D428 F432 V608 H609 S612	E383-K430 WeakPolarHBondContact O-CE 3.28Å; P385-K430 HydrophobicContact CB-CG 4.26Å; D428-K430 PolarHBondContact O-N 3.34Å; D428-K430 VanDerWaalsContact OD1-CB 3.3Å; D428-K430 WeakPolarHBondContact OD1-CB 3.18Å; D428-K430 WeakPolarHBondContact OD1-CG 3.48Å; D428-K430 PolarHBondContact OD1-N 3.45Å; K430-F432 VanDerWaalsContact C-N 3.29Å; K430-V608 HydrophobicContact CB-CG1 4.15Å; K430-V608 WeakPolarHBondContact O-CB 3.34Å; K430-H609 HydrophobicContact CB-CB 4.31Å; K430-S612 PolarHBondContact NZ-OG 3.12Å
431	R	93.5	Very high	91.8	Very high	25 Å²	25	37.4 Å²	37.4	9%	0.094	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-73.5	-20.5	167.3	80.4	-166.9	-176.4	-94.8	9.7	113.1	D376 R378 C379 W425 P426 L427 D428 I429 H489	D376-R431 IonicContact OD1-CZ 3.79Å; D376-R431 IonicContact OD1-NE 2.75Å; D376-R431 IonicContact OD1-NH2 3.18Å; D376-R431 PolarHBondContact OD1-NH2 3.43Å; D376-R431 IonicContact OD2-CZ 2.98Å; D376-R431 IonicContact OD2-NE 3.79Å; D376-R431 PolarHBondContact OD2-NE 3.4Å; D376-R431 IonicContact OD2-NH2 2.73Å; D376-R431 PolarHBondContact OD2-NH2 2.92Å; R378-R431 PolarHBondContact O-NH2 3.44Å; C379-R431 PolarHBondContact O-NH1 2.79Å; C379-R431 PolarHBondContact O-NH2 3.28Å; W425-R431 HydrophobicContact CH2-CB 4.06Å; W425-R431 HydrophobicContact CZ2-CB 4.19Å; P426-R431 PolarHBondContact O-NE 3.46Å; L427-R431 PolarHBondContact O-NH1 3.11Å; D428-R431 WeakPolarHBondContact O-CB 3.26Å; D428-R431 VanDerWaalsContact O-CD 3.31Å; D428-R431 WeakPolarHBondContact O-CD 2.83Å; D428-R431 WeakPolarHBondContact O-CG 2.83Å; D428-R431 PolarHBondContact O-N 3.18Å; D428-R431 PolarHBondContact O-NH1 3.03Å; I429-R431 PolarHBondContact O-N 2.89Å; I429-R431 VanDerWaalsContact O-N 3.11Å; R431-H489 PolarHBondContact O-ND1 2.97Å
432	F	93.3	Very high	91.8	Very high	21 Å²	21	34.3 Å²	34.3	9%	0.092	18%	0.181	C	C	.	.			trans	-103.2	147.5	178.7	-67.1	-59.2	0	0	0	112.2	P271 P375 D376 L380 I429 K430 Q436	P271-F432 HydrophobicContact CG-CB 3.99Å; P271-F432 HydrophobicContact CG-CD2 3.47Å; P271-F432 VanDerWaalsContact CG-CD2 3.47Å; P271-F432 HydrophobicContact CG-CE2 4.06Å; P271-F432 HydrophobicContact CG-CG 3.82Å; P375-F432 HydrophobicContact CB-CE1 3.8Å; P375-F432 HydrophobicContact CB-CZ 3.87Å; P375-F432 HydrophobicContact CG-CE1 4.1Å; P375-F432 HydrophobicContact CG-CZ 4.03Å; D376-F432 HydrophobicContact CB-CZ 4.08Å; D376-F432 WeakPolarHBondContact OD1-CZ 3.42Å; L380-F432 HydrophobicContact CD2-CD2 3.76Å; L380-F432 HydrophobicContact CD2-CE2 3.61Å; I429-F432 PolarHBondContact O-N 2.81Å; I429-F432 VanDerWaalsContact O-N 3.16Å; K430-F432 VanDerWaalsContact C-N 3.29Å; F432-Q436 HydrophobicContact CB-CB 4.36Å; F432-Q436 HydrophobicContact CD1-CB 3.86Å; F432-Q436 HydrophobicContact CD1-CG 3.85Å; F432-Q436 HydrophobicContact CE1-CG 4.47Å; F432-Q436 HydrophobicContact CG-CB 4.38Å
433	G	88.1	Confident	91.7	Very high	6 Å²	6	37.4 Å²	37.4	6%	0.062	19%	0.191	C	C	.	.			trans	-101.7	-178.7	167.9	0	0	0	0	0	111.5	L435 Q436 H489	G433-L435 PolarHBondContact O-N 3.32Å; G433-Q436 VanDerWaalsContact C-OE1 3.29Å; G433-Q436 PolarHBondContact O-N 3.42Å; G433-Q436 PolarHBondContact O-OE1 2.93Å; G433-H489 PolarHBondContact N-CE1 3.1Å; G433-H489 VanDerWaalsContact N-CE1 3.32Å
434	N	84.7	Confident	91.7	Very high	134 Å²	134	39.4 Å²	39.4	72%	0.717	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-64.4	-28	-177.8	-66.5	-12.9	0	0	0	113.1	Q436 S437	N434-Q436 VanDerWaalsContact C-N 3.3Å; N434-Q436 PolarHBondContact O-N 3.24Å; N434-S437 PolarHBondContact O-N 2.85Å
435	L	85.2	Confident	91.7	Very high	85 Å²	85	39.3 Å²	39.3	45%	0.445	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-60.3	-38.9	179.2	-68.7	170.5	0	0	0	112.4	G433 S437 S438 R470	G433-L435 PolarHBondContact O-N 3.32Å; L435-S437 PolarHBondContact O-N 3.27Å; L435-S438 PolarHBondContact O-N 3.02Å; L435-R470 HydrophobicContact CD1-CG 3.9Å
436	Q	88.2	Confident	91.8	Very high	11 Å²	11	38 Å²	38	5%	0.051	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-72.9	-7.8	-178.3	-65.7	88.1	-10.1	0	0	113.6	P271 F432 G433 N434 F441 L442	P271-Q436 WeakPolarHBondContact CB-O 3.39Å; F432-Q436 HydrophobicContact CB-CB 4.36Å; F432-Q436 HydrophobicContact CD1-CB 3.86Å; F432-Q436 HydrophobicContact CD1-CG 3.85Å; F432-Q436 HydrophobicContact CE1-CG 4.47Å; F432-Q436 HydrophobicContact CG-CB 4.38Å; G433-Q436 VanDerWaalsContact C-OE1 3.29Å; G433-Q436 PolarHBondContact O-N 3.42Å; G433-Q436 PolarHBondContact O-OE1 2.93Å; N434-Q436 VanDerWaalsContact C-N 3.3Å; N434-Q436 PolarHBondContact O-N 3.24Å; Q436-F441 HydrophobicContact CB-CD1 4.46Å; Q436-F441 HydrophobicContact CB-CE1 3.91Å; Q436-F441 HydrophobicContact CB-CZ 4.43Å; Q436-F441 HydrophobicContact CG-CE1 4.05Å; Q436-F441 HydrophobicContact CG-CZ 4.05Å; Q436-F441 WeakPolarHBondContact O-CD1 3.33Å; Q436-L442 WeakPolarHBondContact O-CD2 3.43Å; Q436-L442 WeakPolarHBondContact O-CG 3.37Å
437	S	88.3	Confident	91.8	Very high	10 Å²	10	40 Å²	40	7%	0.07	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-97.3	6.8	174	-73.4	0	0	0	0	114.4	Y258 S269 P271 N434 L435 R439	Y258-S437 WeakPolarHBondContact CE2-O 3.22Å; Y258-S437 PolarHBondContact OH-O 3.37Å; S269-S437 WeakPolarHBondContact OG-CB 3.37Å; S269-S437 PolarHBondContact OG-OG 3.01Å; P271-S437 WeakPolarHBondContact CB-OG 3.33Å; P271-S437 WeakPolarHBondContact CD-OG 2.97Å; N434-S437 PolarHBondContact O-N 2.85Å; L435-S437 PolarHBondContact O-N 3.27Å; S437-R439 PolarHBondContact O-N 3.45Å
438	S	90.6	Very high	91.7	Very high	56 Å²	56	41.2 Å²	41.2	39%	0.392	21%	0.206	S	C	.	.			trans	-62.8	128.2	170.7	168.6	0	0	0	0	110.8	L435 T440 F441 L442	L435-S438 PolarHBondContact O-N 3.02Å; S438-T440 VanDerWaalsContact C-N 3.28Å; S438-T440 PolarHBondContact O-N 3.32Å; S438-F441 WeakPolarHBondContact O-CB 3.41Å; S438-F441 PolarHBondContact O-N 2.82Å; S438-F441 VanDerWaalsContact O-N 3.14Å; S438-L442 WeakPolarHBondContact O-CB 3.45Å; S438-L442 WeakPolarHBondContact O-CG 3.38Å; S438-L442 PolarHBondContact O-N 3.15Å
439	R	88.4	Confident	91.7	Very high	105 Å²	105	41 Å²	41	40%	0.396	20%	0.204	S	C	.	.	H	α-helix	trans	-54.1	-43.3	178.9	-74.1	-167.9	169.6	-145.7	-11.9	112.4	Y258 E259 S437 L442 R443	Y258-R439 HydrophobicContact CE1-CG 3.97Å; Y258-R439 WeakPolarHBondContact OH-CG 3.35Å; E259-R439 IonicContact OE1-NH2 3.39Å; S437-R439 PolarHBondContact O-N 3.45Å; R439-L442 PolarHBondContact O-N 3.1Å; R439-R443 WeakPolarHBondContact O-CB 3.48Å; R439-R443 PolarHBondContact O-N 2.93Å
440	T	90.7	Very high	91.6	Very high	88 Å²	88	40.7 Å²	40.7	54%	0.54	20%	0.203	S	C	.	.	H	α-helix	trans	-67.5	-41	179.9	-47.8	0	0	0	0	111.7	S438 R443 H444	S438-T440 VanDerWaalsContact C-N 3.28Å; S438-T440 PolarHBondContact O-N 3.32Å; T440-R443 PolarHBondContact O-N 3.29Å; T440-H444 PolarHBondContact O-N 3.01Å
441	F	93.1	Very high	91.5	Very high	23 Å²	23	40.5 Å²	40.5	10%	0.101	20%	0.204	C	C	.	.	H	α-helix	trans	-59.9	-50.9	173.4	172.6	-93.2	0	0	0	110.5	P375 Q436 S438 R443 H444 R445 L469	P375-F441 HydrophobicContact CB-CE1 3.95Å; P375-F441 HydrophobicContact CB-CZ 4.45Å; P375-F441 HydrophobicContact CG-CE1 3.96Å; Q436-F441 HydrophobicContact CB-CD1 4.46Å; Q436-F441 HydrophobicContact CB-CE1 3.91Å; Q436-F441 HydrophobicContact CB-CZ 4.43Å; Q436-F441 HydrophobicContact CG-CE1 4.05Å; Q436-F441 HydrophobicContact CG-CZ 4.05Å; Q436-F441 WeakPolarHBondContact O-CD1 3.33Å; S438-F441 WeakPolarHBondContact O-CB 3.41Å; S438-F441 PolarHBondContact O-N 2.82Å; S438-F441 VanDerWaalsContact O-N 3.14Å; F441-R443 PolarHBondContact O-N 2.88Å; F441-H444 PolarHBondContact O-N 2.92Å; F441-R445 HydrophobicContact CE1-CB 4.42Å; F441-R445 HydrophobicContact CE1-CG 4.43Å; F441-R445 VanDerWaalsContact CE2-NH2 3.29Å; F441-R445 WeakPolarHBondContact O-CB 3.33Å; F441-R445 PolarHBondContact O-N 2.93Å; F441-L469 HydrophobicContact CD2-CD1 3.7Å; F441-L469 HydrophobicContact CE2-CD1 3.68Å
442	L	93.6	Very high	91.5	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-44.7	179.7	-75.1	168.5	0	0	0	112.1	Y258 P271 H273 P375 Q436 S438 R439 H444 R445 V446	Y258-L442 HydrophobicContact CD2-CD1 3.81Å; Y258-L442 HydrophobicContact CE2-CD1 3.44Å; Y258-L442 VanDerWaalsContact CE2-CD1 3.44Å; P271-L442 HydrophobicContact CB-CD2 4.06Å; H273-L442 HydrophobicContact CB-CB 4.13Å; P375-L442 HydrophobicContact CG-CD2 3.81Å; Q436-L442 WeakPolarHBondContact O-CD2 3.43Å; Q436-L442 WeakPolarHBondContact O-CG 3.37Å; S438-L442 WeakPolarHBondContact O-CB 3.45Å; S438-L442 WeakPolarHBondContact O-CG 3.38Å; S438-L442 PolarHBondContact O-N 3.15Å; R439-L442 PolarHBondContact O-N 3.1Å; L442-H444 PolarHBondContact O-N 3.37Å; L442-R445 PolarHBondContact O-N 2.98Å; L442-V446 WeakPolarHBondContact O-CG1 3.44Å; L442-V446 PolarHBondContact O-N 3.07Å
443	R	91.9	Very high	91.5	Very high	73 Å²	73	41.2 Å²	41.2	28%	0.275	21%	0.21	S	C	.	.	H	α-helix	trans	-62.8	-40.8	177.5	-161.3	-157	-173.2	-73.3	-4.8	112.6	P323 T326 R439 T440 F441 V446	P323-R443 HydrophobicContact CB-CG 3.8Å; P323-R443 HydrophobicContact CG-CG 4.31Å; T326-R443 HydrophobicContact CG2-CG 4.46Å; T326-R443 PolarHBondContact OG1-NE 2.86Å; T326-R443 VanDerWaalsContact OG1-NE 3.12Å; R439-R443 WeakPolarHBondContact O-CB 3.48Å; R439-R443 PolarHBondContact O-N 2.93Å; T440-R443 PolarHBondContact O-N 3.29Å; F441-R443 PolarHBondContact O-N 2.88Å; R443-V446 WeakPolarHBondContact O-CG1 3.38Å
444	H	92.3	Very high	91.8	Very high	90 Å²	90	42.3 Å²	42.3	42%	0.417	21%	0.212	S	C	.	.	H	α-helix	trans	-74.1	-39.8	177.1	-67.5	179.6	0	0	0	111.6	T440 F441 L442 M447	T440-H444 PolarHBondContact O-N 3.01Å; F441-H444 PolarHBondContact O-N 2.92Å; L442-H444 PolarHBondContact O-N 3.37Å; H444-M447 WeakPolarHBondContact O-CB 3.42Å; H444-M447 PolarHBondContact O-N 2.93Å
445	R	94.6	Very high	92.2	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.015	19%	0.193	C	C	.	.	H	α-helix	trans	-63.9	-40.9	179	-178.4	65.4	70.4	-158.6	2.9	112.6	P375 F441 L442 M447 E448 V449 T465	P375-R445 HydrophobicContact CB-CG 4Å; P375-R445 WeakPolarHBondContact O-CD 3.3Å; F441-R445 HydrophobicContact CE1-CB 4.42Å; F441-R445 HydrophobicContact CE1-CG 4.43Å; F441-R445 VanDerWaalsContact CE2-NH2 3.29Å; F441-R445 WeakPolarHBondContact O-CB 3.33Å; F441-R445 PolarHBondContact O-N 2.93Å; L442-R445 PolarHBondContact O-N 2.98Å; R445-M447 PolarHBondContact O-N 2.61Å; R445-E448 IonicContact NH1-OE2 2.69Å; R445-E448 PolarHBondContact NH1-OE2 3.33Å; R445-E448 WeakPolarHBondContact O-CB 3.07Å; R445-E448 PolarHBondContact O-N 2.79Å; R445-V449 HydrophobicContact CG-CG1 3.95Å; R445-V449 PolarHBondContact O-N 3.21Å; R445-T465 PolarHBondContact NH1-O 2.97Å; R445-T465 PolarHBondContact NH1-OG1 3.31Å; R445-T465 PolarHBondContact NH2-O 3.5Å
446	V	94.3	Very high	92.5	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-59.1	-32.6	178.7	66.3	0	0	0	0	112.2	H273 C275 P323 F373 L442 R443 E448 M450	H273-V446 HydrophobicContact CB-CB 4.19Å; H273-V446 HydrophobicContact CB-CG1 4.26Å; C275-V446 HydrophobicContact CB-CG2 3.71Å; P323-V446 HydrophobicContact CB-CG1 3.69Å; P323-V446 HydrophobicContact CG-CG1 3.62Å; F373-V446 HydrophobicContact CB-CG2 3.93Å; F373-V446 HydrophobicContact CD2-CG2 4Å; F373-V446 HydrophobicContact CG-CG2 4.24Å; L442-V446 WeakPolarHBondContact O-CG1 3.44Å; L442-V446 PolarHBondContact O-N 3.07Å; R443-V446 WeakPolarHBondContact O-CG1 3.38Å; V446-E448 PolarHBondContact O-N 2.92Å; V446-M450 PolarHBondContact O-N 3.33Å
447	M	94.1	Very high	92.6	Very high	74 Å²	74	38.6 Å²	38.6	37%	0.365	19%	0.189	S	C	.	.	H	α-helix	trans	-66.3	-20.1	177.5	-61.6	-170.3	-65.4	0	0	113.4	P321 P323 H444 R445 P451	P321-M447 HydrophobicContact CG-CB 4.26Å; P321-M447 WeakPolarHBondContact CG-O 3.46Å; P323-M447 HydrophobicContact CG-CG 3.36Å; P323-M447 HydrophobicContact CG-SD 3.96Å; H444-M447 WeakPolarHBondContact O-CB 3.42Å; H444-M447 PolarHBondContact O-N 2.93Å; R445-M447 PolarHBondContact O-N 2.61Å; M447-P451 WeakPolarHBondContact O-CD 3.43Å; M447-P451 WeakPolarHBondContact O-CG 3.47Å
448	E	94.9	Very high	92.6	Very high	25 Å²	25	38.8 Å²	38.8	12%	0.117	19%	0.189	C	C	.	.	H	α-helix	trans	-97.3	-47.2	178.1	-164.2	-172.4	177.3	0	0	111.9	R445 V446 M450 P451 L452 F463 Q464 T465	R445-E448 IonicContact NH1-OE2 2.69Å; R445-E448 PolarHBondContact NH1-OE2 3.33Å; R445-E448 WeakPolarHBondContact O-CB 3.07Å; R445-E448 PolarHBondContact O-N 2.79Å; V446-E448 PolarHBondContact O-N 2.92Å; E448-M450 PolarHBondContact O-N 3.4Å; E448-P451 WeakPolarHBondContact O-CD 3.35Å; E448-L452 HydrophobicContact CG-CD1 3.8Å; E448-L452 WeakPolarHBondContact O-CB 3.45Å; E448-L452 WeakPolarHBondContact O-CD1 3.39Å; E448-L452 VanDerWaalsContact O-CG 3.22Å; E448-L452 WeakPolarHBondContact O-CG 3.46Å; E448-L452 PolarHBondContact O-N 2.82Å; E448-F463 WeakPolarHBondContact OE1-CA 3.43Å; E448-Q464 PolarHBondContact OE1-N 2.91Å; E448-Q464 PolarHBondContact OE2-N 2.92Å; E448-T465 HydrophobicContact CB-CG2 3.93Å; E448-T465 HydrophobicContact CG-CG2 4.38Å; E448-T465 VanDerWaalsContact OE2-CB 3.32Å; E448-T465 WeakPolarHBondContact OE2-CB 3.47Å; E448-T465 WeakPolarHBondContact OE2-CG2 3.39Å; E448-T465 PolarHBondContact OE2-N 3.49Å; E448-T465 PolarHBondContact OE2-OG1 3.01Å
449	V	95.1	Very high	92.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.1	-32.3	-171.9	-62.2	0	0	0	0	113.9	F373 P375 M377 R445 L452 L453 F463	F373-V449 HydrophobicContact CB-CG2 4.07Å; P375-V449 WeakPolarHBondContact O-CG1 2.9Å; M377-V449 HydrophobicContact CG-CB 3.72Å; M377-V449 HydrophobicContact CG-CG1 4.2Å; R445-V449 HydrophobicContact CG-CG1 3.95Å; R445-V449 PolarHBondContact O-N 3.21Å; V449-L452 PolarHBondContact O-N 2.84Å; V449-L453 PolarHBondContact O-N 3.36Å; V449-F463 HydrophobicContact CG1-CE1 3.91Å
450	M	93.6	Very high	92.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-51.7	-179.9	-175.1	-73.3	-161.7	0	0	110.8	F317 P321 F373 V446 E448 L452 L453	F317-M450 HydrophobicContact CB-CE 4.33Å; F317-M450 HydrophobicContact CB-SD 3.94Å; F317-M450 HydrophobicContact CD1-CE 3.88Å; F317-M450 HydrophobicContact CD1-CG 4.11Å; F317-M450 HydrophobicContact CD1-SD 3.87Å; F317-M450 HydrophobicContact CG-SD 4.42Å; P321-M450 HydrophobicContact CB-CB 4.11Å; P321-M450 HydrophobicContact CB-CG 4.17Å; P321-M450 HydrophobicContact CB-SD 4.05Å; P321-M450 HydrophobicContact CG-CB 4.38Å; F373-M450 HydrophobicContact CD1-CB 4.48Å; F373-M450 HydrophobicContact CE1-CB 4.37Å; F373-M450 HydrophobicContact CE1-CG 4.07Å; F373-M450 HydrophobicContact CE2-CG 4.21Å; F373-M450 HydrophobicContact CZ-CB 4.46Å; F373-M450 HydrophobicContact CZ-CG 3.82Å; V446-M450 PolarHBondContact O-N 3.33Å; E448-M450 PolarHBondContact O-N 3.4Å; M450-L452 PolarHBondContact O-N 3.22Å; M450-L453 WeakPolarHBondContact O-CB 3.47Å; M450-L453 PolarHBondContact O-N 3.06Å; M450-L453 VanDerWaalsContact O-N 3.17Å
451	P	93.5	Very high	91.9	Very high	15 Å²	15	34.7 Å²	34.7	10%	0.097	16%	0.158	C	C	.	.	H	α-helix	trans	-56	-34.9	169.7	-27.4	29.7	0	0	0	114.5	R302 E318 K319 P321 M447 E448 L453 E455	R302-P451 PolarHBondContact NH1-O 2.89Å; R302-P451 PolarHBondContact NH2-O 2.79Å; E318-P451 WeakPolarHBondContact O-CG 3.41Å; K319-P451 WeakPolarHBondContact O-CG 3.34Å; P321-P451 HydrophobicContact CG-CG 3.93Å; M447-P451 WeakPolarHBondContact O-CD 3.43Å; M447-P451 WeakPolarHBondContact O-CG 3.47Å; E448-P451 WeakPolarHBondContact O-CD 3.35Å; P451-L453 PolarHBondContact O-N 3.33Å; P451-E455 WeakPolarHBondContact O-CB 3.41Å; P451-E455 PolarHBondContact O-N 3.25Å
452	L	94	Very high	91.7	Very high	20 Å²	20	34.8 Å²	34.8	11%	0.105	16%	0.16	C	C	.	.	H	α-helix	trans	-70.3	-12.6	-178.2	-77.7	170.7	0	0	0	113.7	M377 E448 V449 M450 Y454 E455 K457 W461 F463	M377-L452 HydrophobicContact CE-CB 4.3Å; M377-L452 HydrophobicContact SD-CB 3.64Å; E448-L452 HydrophobicContact CG-CD1 3.8Å; E448-L452 WeakPolarHBondContact O-CB 3.45Å; E448-L452 WeakPolarHBondContact O-CD1 3.39Å; E448-L452 VanDerWaalsContact O-CG 3.22Å; E448-L452 WeakPolarHBondContact O-CG 3.46Å; E448-L452 PolarHBondContact O-N 2.82Å; V449-L452 PolarHBondContact O-N 2.84Å; M450-L452 PolarHBondContact O-N 3.22Å; L452-Y454 VanDerWaalsContact C-N 3.34Å; L452-Y454 PolarHBondContact O-N 2.85Å; L452-E455 HydrophobicContact CD2-CB 4.13Å; L452-E455 HydrophobicContact CD2-CG 4.23Å; L452-K457 HydrophobicContact CD2-CD 4.47Å; L452-K457 HydrophobicContact CD2-CG 4.39Å; L452-K457 WeakPolarHBondContact O-CE 3.26Å; L452-K457 PolarHBondContact O-NZ 3.5Å; L452-W461 HydrophobicContact CD1-CE3 4.46Å; L452-W461 HydrophobicContact CD1-CH2 3.74Å; L452-W461 HydrophobicContact CD1-CZ3 3.47Å; L452-W461 VanDerWaalsContact CD1-CZ3 3.47Å; L452-W461 HydrophobicContact CD2-CE3 4.32Å; L452-W461 HydrophobicContact CD2-CH2 4.47Å; L452-W461 HydrophobicContact CD2-CZ3 4.03Å; L452-W461 HydrophobicContact CG-CZ3 4.4Å; L452-F463 HydrophobicContact CD1-CD1 3.89Å; L452-F463 HydrophobicContact CD1-CE1 3.78Å
453	L	92.5	Very high	91.7	Very high	40 Å²	40	36.2 Å²	36.2	21%	0.209	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-43.9	175.2	-73.8	174.7	0	0	0	111.6	F317 F373 M377 V449 M450 P451	F317-L453 HydrophobicContact CD1-CB 4.38Å; F317-L453 HydrophobicContact CD1-CD1 3.73Å; F317-L453 HydrophobicContact CD2-CB 4.45Å; F317-L453 HydrophobicContact CE1-CD1 3.45Å; F317-L453 VanDerWaalsContact CE1-CD1 3.45Å; F317-L453 HydrophobicContact CG-CB 4.28Å; F317-L453 HydrophobicContact CG-CD1 4.42Å; F317-L453 HydrophobicContact CZ-CD1 3.92Å; F373-L453 HydrophobicContact CD1-CD1 4.17Å; F373-L453 HydrophobicContact CE1-CD1 3.65Å; M377-L453 HydrophobicContact CB-CD2 3.97Å; M377-L453 HydrophobicContact CG-CD2 4.05Å; M377-L453 HydrophobicContact SD-CD2 4.23Å; V449-L453 PolarHBondContact O-N 3.36Å; M450-L453 WeakPolarHBondContact O-CB 3.47Å; M450-L453 PolarHBondContact O-N 3.06Å; M450-L453 VanDerWaalsContact O-N 3.17Å; P451-L453 PolarHBondContact O-N 3.33Å
454	Y	93.9	Very high	91.6	Very high	29 Å²	29	39.3 Å²	39.3	11%	0.114	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-14.6	-179.6	-79	12	0	0	0	114	R148 M299 Y304 F317 L452	R148-Y454 PolarHBondContact NH1-O 2.76Å; R148-Y454 PolarHBondContact NH2-O 2.89Å; M299-Y454 HydrophobicContact CB-CG 4.26Å; M299-Y454 HydrophobicContact CG-CD1 3.92Å; M299-Y454 HydrophobicContact CG-CD2 4.3Å; M299-Y454 HydrophobicContact CG-CE1 4.32Å; M299-Y454 HydrophobicContact CG-CG 3.91Å; Y304-Y454 HydrophobicContact CD1-CE2 4.38Å; Y304-Y454 WeakPolarHBondContact CD1-OH 3.26Å; F317-Y454 HydrophobicContact CB-CD2 4.47Å; F317-Y454 HydrophobicContact CB-CG 4.4Å; F317-Y454 AromaticContact CD2-CD1 3.67Å; F317-Y454 HydrophobicContact CD2-CD1 3.67Å; F317-Y454 AromaticContact CD2-CD2 3.74Å; F317-Y454 HydrophobicContact CD2-CD2 3.74Å; F317-Y454 AromaticContact CD2-CE1 3.58Å; F317-Y454 HydrophobicContact CD2-CE1 3.58Å; F317-Y454 AromaticContact CD2-CE2 3.67Å; F317-Y454 HydrophobicContact CD2-CE2 3.67Å; F317-Y454 AromaticContact CD2-CG 3.76Å; F317-Y454 HydrophobicContact CD2-CG 3.76Å; F317-Y454 AromaticContact CD2-CZ 3.58Å; F317-Y454 HydrophobicContact CE2-CD1 4.12Å; F317-Y454 AromaticContact CE2-CE1 3.6Å; F317-Y454 HydrophobicContact CE2-CE1 3.6Å; F317-Y454 HydrophobicContact CE2-CE2 4.15Å; F317-Y454 AromaticContact CE2-CZ 3.62Å; F317-Y454 HydrophobicContact CG-CG 4.49Å; L452-Y454 VanDerWaalsContact C-N 3.34Å; L452-Y454 PolarHBondContact O-N 2.85Å
455	E	93.1	Very high	91.6	Very high	68 Å²	68	36.8 Å²	36.8	32%	0.318	17%	0.174	S	C	.	.	S	Bend	trans	-54.3	144	172.5	-169	64.1	-168.3	0	0	112.7	R302 P451 L452 K457	R302-E455 IonicContact CZ-OE2 3.48Å; R302-E455 IonicContact NH2-OE2 3.65Å; R302-E455 PolarHBondContact NH2-OE2 2.97Å; P451-E455 WeakPolarHBondContact O-CB 3.41Å; P451-E455 PolarHBondContact O-N 3.25Å; L452-E455 HydrophobicContact CD2-CB 4.13Å; L452-E455 HydrophobicContact CD2-CG 4.23Å; E455-K457 PolarHBondContact O-N 3.24Å
456	L	92.3	Very high	91.3	Very high	31 Å²	31	37.7 Å²	37.7	16%	0.162	19%	0.185	C	C	.	.			trans	-73.9	98.6	175.6	-179.8	62	0	0	0	110.7	D147 V458 F513	D147-L456 HydrophobicContact CB-CD2 3.59Å; L456-V458 PolarHBondContact O-N 3.06Å; L456-F513 HydrophobicContact CD1-CE2 4.35Å; L456-F513 HydrophobicContact CD1-CZ 4.3Å
457	K	89.6	Confident	91.3	Very high	54 Å²	54	40.2 Å²	40.2	24%	0.235	19%	0.194	C	C	.	.			trans	-84.2	98.4	176.1	-72	168.8	-67.6	-156.6	0	110.8	L452 E455 W461	L452-K457 HydrophobicContact CD2-CD 4.47Å; L452-K457 HydrophobicContact CD2-CG 4.39Å; L452-K457 WeakPolarHBondContact O-CE 3.26Å; L452-K457 PolarHBondContact O-NZ 3.5Å; E455-K457 PolarHBondContact O-N 3.24Å; K457-W461 HydrophobicContact CB-CG 4.41Å; K457-W461 HydrophobicContact CD-CD2 4.4Å; K457-W461 HydrophobicContact CD-CH2 4.29Å; K457-W461 HydrophobicContact CD-CZ2 3.6Å; K457-W461 HydrophobicContact CG-CD2 4.14Å; K457-W461 HydrophobicContact CG-CG 4.34Å; K457-W461 HydrophobicContact CG-CZ2 4.26Å
458	V	88.8	Confident	91.2	Very high	14 Å²	14	42.4 Å²	42.4	9%	0.085	20%	0.203	C	C	.	.			trans	-69.7	157	164.2	-64.7	0	0	0	0	110.6	L456 W461 K511 F513	L456-V458 PolarHBondContact O-N 3.06Å; V458-W461 PolarHBondContact O-N 3.47Å; V458-K511 HydrophobicContact CG1-CB 4.12Å; V458-K511 HydrophobicContact CG2-CB 3.74Å; V458-K511 HydrophobicContact CG2-CD 4.47Å; V458-K511 HydrophobicContact CG2-CG 3.84Å; V458-F513 HydrophobicContact CG1-CD2 4.35Å; V458-F513 HydrophobicContact CG1-CE2 3.99Å; V458-F513 HydrophobicContact CG1-CZ 4.17Å
459	P	86.8	Confident	91	Very high	21 Å²	21	45 Å²	45	14%	0.136	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	144.8	-177.2	-26.1	39.4	0	0	0	113.1	W461 F513 W796 W797	P459-W461 VanDerWaalsContact C-N 3.29Å; P459-W461 PolarHBondContact O-N 3.34Å; P459-F513 HydrophobicContact CG-CD1 4.01Å; P459-F513 HydrophobicContact CG-CE1 4.14Å; P459-W796 HydrophobicContact CB-CB 4.35Å; P459-W796 HydrophobicContact CB-CD2 3.34Å; P459-W796 HydrophobicContact CB-CE3 3.63Å; P459-W796 HydrophobicContact CB-CG 3.68Å; P459-W796 HydrophobicContact CB-CH2 4.18Å; P459-W796 HydrophobicContact CB-CZ2 3.97Å; P459-W796 HydrophobicContact CB-CZ3 4.04Å; P459-W796 HydrophobicContact CG-CB 4.5Å; P459-W796 HydrophobicContact CG-CD2 3.77Å; P459-W796 HydrophobicContact CG-CG 3.72Å; P459-W796 HydrophobicContact CG-CZ2 4.26Å; P459-W797 HydrophobicContact CB-CH2 4.18Å; P459-W797 HydrophobicContact CB-CZ3 4.2Å
460	R	82.3	Confident	90.9	Very high	50 Å²	50	46.8 Å²	46.8	19%	0.189	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	31.6	-176.7	-48.9	-167.1	-171.3	168.5	13.3	115.6	W518 Y720 W796	R460-W518 VanDerWaalsContact NH1-CZ2 3.29Å; R460-Y720 VanDerWaalsContact CD-CZ 3.48Å; R460-Y720 WeakPolarHBondContact CD-OH 3.22Å; R460-Y720 VanDerWaalsContact NH1-CD1 3.3Å; R460-W796 HydrophobicContact CG-CE3 4.23Å; R460-W796 HydrophobicContact CG-CZ3 3.8Å
461	W	86.6	Confident	91	Very high	91 Å²	91	49.9 Å²	49.9	35%	0.345	24%	0.243	S	C	.	.			trans	-63.6	152.4	155.8	74	-78.2	0	0	0	110.4	M377 L452 K457 V458 P459 F463	M377-W461 HydrophobicContact CE-CH2 3.6Å; M377-W461 HydrophobicContact CE-CZ2 3.8Å; L452-W461 HydrophobicContact CD1-CE3 4.46Å; L452-W461 HydrophobicContact CD1-CH2 3.74Å; L452-W461 HydrophobicContact CD1-CZ3 3.47Å; L452-W461 VanDerWaalsContact CD1-CZ3 3.47Å; L452-W461 HydrophobicContact CD2-CE3 4.32Å; L452-W461 HydrophobicContact CD2-CH2 4.47Å; L452-W461 HydrophobicContact CD2-CZ3 4.03Å; L452-W461 HydrophobicContact CG-CZ3 4.4Å; K457-W461 HydrophobicContact CB-CG 4.41Å; K457-W461 HydrophobicContact CD-CD2 4.4Å; K457-W461 HydrophobicContact CD-CH2 4.29Å; K457-W461 HydrophobicContact CD-CZ2 3.6Å; K457-W461 HydrophobicContact CG-CD2 4.14Å; K457-W461 HydrophobicContact CG-CG 4.34Å; K457-W461 HydrophobicContact CG-CZ2 4.26Å; V458-W461 PolarHBondContact O-N 3.47Å; P459-W461 VanDerWaalsContact C-N 3.29Å; P459-W461 PolarHBondContact O-N 3.34Å; W461-F463 AromaticContact CH2-CD1 3.86Å; W461-F463 HydrophobicContact CH2-CD1 3.86Å; W461-F463 AromaticContact CH2-CE1 3.4Å; W461-F463 HydrophobicContact CH2-CE1 3.4Å; W461-F463 VanDerWaalsContact CH2-CE1 3.4Å; W461-F463 HydrophobicContact CH2-CE2 4.16Å; W461-F463 HydrophobicContact CH2-CG 4.42Å; W461-F463 AromaticContact CH2-CZ 3.57Å; W461-F463 HydrophobicContact CH2-CZ 3.57Å; W461-F463 AromaticContact CZ3-CD1 3.59Å; W461-F463 HydrophobicContact CZ3-CD1 3.59Å; W461-F463 AromaticContact CZ3-CE1 3.66Å; W461-F463 HydrophobicContact CZ3-CE1 3.66Å; W461-F463 HydrophobicContact CZ3-CG 4.04Å; W461-F463 HydrophobicContact CZ3-CZ 4.15Å
462	D	88.8	Confident	91.1	Very high	26 Å²	26	49.6 Å²	49.6	14%	0.139	24%	0.242	C	C	.	.			trans	-128.5	155.5	175.5	-69.5	-93.5	0	0	0	110	Q464 M486 K495	D462-Q464 PolarHBondContact O-NE2 2.95Å; D462-M486 WeakPolarHBondContact OD1-CA 3.34Å; D462-M486 WeakPolarHBondContact OD1-CB 3.26Å; D462-K495 WeakPolarHBondContact OD2-CE 3.26Å; D462-K495 IonicContact OD2-NZ 3.87Å; D462-K495 PolarHBondContact OD2-NZ 2.89Å
463	F	91.7	Very high	91.3	Very high	33 Å²	33	51.1 Å²	51.1	15%	0.145	25%	0.253	C	S	.	.			trans	-69.7	152.2	171.5	-63.6	-75.7	0	0	0	112.8	M377 E448 V449 L452 W461 R467	M377-F463 HydrophobicContact CE-CE1 4.21Å; M377-F463 HydrophobicContact CE-CZ 4.16Å; E448-F463 WeakPolarHBondContact OE1-CA 3.43Å; V449-F463 HydrophobicContact CG1-CE1 3.91Å; L452-F463 HydrophobicContact CD1-CD1 3.89Å; L452-F463 HydrophobicContact CD1-CE1 3.78Å; W461-F463 AromaticContact CH2-CD1 3.86Å; W461-F463 HydrophobicContact CH2-CD1 3.86Å; W461-F463 AromaticContact CH2-CE1 3.4Å; W461-F463 HydrophobicContact CH2-CE1 3.4Å; W461-F463 VanDerWaalsContact CH2-CE1 3.4Å; W461-F463 HydrophobicContact CH2-CE2 4.16Å; W461-F463 HydrophobicContact CH2-CG 4.42Å; W461-F463 AromaticContact CH2-CZ 3.57Å; W461-F463 HydrophobicContact CH2-CZ 3.57Å; W461-F463 AromaticContact CZ3-CD1 3.59Å; W461-F463 HydrophobicContact CZ3-CD1 3.59Å; W461-F463 AromaticContact CZ3-CE1 3.66Å; W461-F463 HydrophobicContact CZ3-CE1 3.66Å; W461-F463 HydrophobicContact CZ3-CG 4.04Å; W461-F463 HydrophobicContact CZ3-CZ 4.15Å; F463-R467 WeakPolarHBondContact O-CD 3.13Å; F463-R467 PolarHBondContact O-NH1 3.34Å
464	Q	90.8	Very high	91.5	Very high	139 Å²	139	49.2 Å²	49.2	65%	0.65	24%	0.243	S	C	*	.			trans	-107.4	-29.4	-178.7	-52.6	-53.8	-50.6	0	0	112.4	E448 D462 R467	E448-Q464 PolarHBondContact OE1-N 2.91Å; E448-Q464 PolarHBondContact OE2-N 2.92Å; D462-Q464 PolarHBondContact O-NE2 2.95Å; Q464-R467 WeakPolarHBondContact O-CG 3.13Å
465	T	92.5	Very high	91.7	Very high	37 Å²	37	49.1 Å²	49.1	23%	0.227	24%	0.242	C	C	.	.	S	Bend	trans	-84.7	161.7	174.4	67.7	0	0	0	0	111.6	R445 E448 R467	R445-T465 PolarHBondContact NH1-O 2.97Å; R445-T465 PolarHBondContact NH1-OG1 3.31Å; R445-T465 PolarHBondContact NH2-O 3.5Å; E448-T465 HydrophobicContact CB-CG2 3.93Å; E448-T465 HydrophobicContact CG-CG2 4.38Å; E448-T465 VanDerWaalsContact OE2-CB 3.32Å; E448-T465 WeakPolarHBondContact OE2-CB 3.47Å; E448-T465 WeakPolarHBondContact OE2-CG2 3.39Å; E448-T465 PolarHBondContact OE2-N 3.49Å; E448-T465 PolarHBondContact OE2-OG1 3.01Å; T465-R467 VanDerWaalsContact C-N 3.28Å; T465-R467 PolarHBondContact O-N 3.04Å
466	G	89.2	Confident	91.8	Very high	22 Å²	22	51.8 Å²	51.8	23%	0.227	26%	0.259	C	S	.	.	S	Bend	trans	58.4	36.5	173.4	0	0	0	0	0	114.5	L469	G466-L469 WeakPolarHBondContact O-CD1 3.31Å
467	R	93.3	Very high	92	Very high	55 Å²	55	55.2 Å²	55.2	21%	0.208	27%	0.27	C	S	.	.			trans	-90.8	167.3	178.8	-64	-64.1	-67.2	-89.4	-1.1	111.4	F463 Q464 T465 L469 W485 E492	F463-R467 WeakPolarHBondContact O-CD 3.13Å; F463-R467 PolarHBondContact O-NH1 3.34Å; Q464-R467 WeakPolarHBondContact O-CG 3.13Å; T465-R467 VanDerWaalsContact C-N 3.28Å; T465-R467 PolarHBondContact O-N 3.04Å; R467-L469 PolarHBondContact O-N 2.85Å; R467-L469 VanDerWaalsContact O-N 3.14Å; R467-W485 VanDerWaalsContact NH2-CB 3.34Å; R467-W485 PolarHBondContact NH2-O 2.57Å; R467-W485 VanDerWaalsContact NH2-O 3.15Å; R467-E492 WeakPolarHBondContact CA-OE1 3.3Å; R467-E492 WeakPolarHBondContact CB-OE1 3.35Å; R467-E492 IonicContact CZ-OE1 2.6Å; R467-E492 IonicContact CZ-OE2 2.63Å; R467-E492 IonicContact NE-OE1 2.67Å; R467-E492 PolarHBondContact NE-OE1 3.15Å; R467-E492 IonicContact NE-OE2 3.76Å; R467-E492 PolarHBondContact NE-OE2 2.82Å; R467-E492 IonicContact NH2-OE1 3.95Å; R467-E492 IonicContact NH2-OE2 3.95Å; R467-E492 PolarHBondContact NH2-OE2 3.33Å
468	Q	92.6	Very high	92.4	Very high	120 Å²	120	52.8 Å²	52.8	56%	0.561	26%	0.259	S	S	*	.	S	Bend	trans	57.3	25.5	176.7	-58.2	170.3	14.3	0	0	114.2	T471 Y475 E492	Q468-T471 HydrophobicContact CB-CG2 4.47Å; Q468-Y475 HydrophobicContact CG-CE1 4.45Å; Q468-Y475 HydrophobicContact CG-CE2 4.41Å; Q468-Y475 PolarHBondContact NE2-OH 3.02Å; Q468-E492 HydrophobicContact CG-CG 4.17Å; Q468-E492 PolarHBondContact N-OE1 3.46Å
469	L	90.6	Very high	92.7	Very high	80 Å²	80	55.1 Å²	55.1	42%	0.419	27%	0.271	S	S	.	.	S	Bend	trans	-73.3	-32.9	178.8	-64.1	177.9	0	0	0	112.9	F441 G466 R467	F441-L469 HydrophobicContact CD2-CD1 3.7Å; F441-L469 HydrophobicContact CE2-CD1 3.68Å; G466-L469 WeakPolarHBondContact O-CD1 3.31Å; R467-L469 PolarHBondContact O-N 2.85Å; R467-L469 VanDerWaalsContact O-N 3.14Å
470	R	92.9	Very high	93.1	Very high	37 Å²	37	59.4 Å²	59.4	14%	0.14	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-136.1	122.8	173.4	-50.8	168.2	78.8	177.3	3.7	107.3	L435 H489 G490 F491 E492	L435-R470 HydrophobicContact CD1-CG 3.9Å; R470-H489 WeakPolarHBondContact CD-O 3.34Å; R470-H489 PolarHBondContact NH1-CD2 3.25Å; R470-H489 PolarHBondContact NH1-O 3.3Å; R470-G490 WeakPolarHBondContact CB-O 3.46Å; R470-G490 PolarHBondContact N-O 2.88Å; R470-F491 HydrophobicContact CB-CD1 3.54Å; R470-F491 HydrophobicContact CB-CE1 3.86Å; R470-F491 HydrophobicContact CB-CG 3.96Å; R470-F491 VanDerWaalsContact CZ-CZ 3.45Å; R470-F491 VanDerWaalsContact NH2-CE2 3.3Å; R470-F491 VanDerWaalsContact O-CA 3.29Å; R470-F491 WeakPolarHBondContact O-CA 3.34Å; R470-E492 PolarHBondContact O-N 3.17Å
471	T	95.6	Very high	93.7	Very high	66 Å²	66	60.8 Å²	60.8	41%	0.405	31%	0.306	S	S	.	.			trans	-123.9	151.3	177.7	47.1	0	0	0	0	108.7	Q468 Y475 E492	Q468-T471 HydrophobicContact CB-CG2 4.47Å; T471-Y475 HydrophobicContact CG2-CD1 4.12Å; T471-Y475 HydrophobicContact CG2-CD2 3.61Å; T471-Y475 HydrophobicContact CG2-CE2 4.17Å; T471-Y475 HydrophobicContact CG2-CG 3.6Å; T471-E492 HydrophobicContact CG2-CB 4.37Å; T471-E492 HydrophobicContact CG2-CG 4.14Å
472	S	95.9	Very high	94	Very high	9 Å²	9	57.1 Å²	57.1	6%	0.063	30%	0.296	C	S	.	.			trans	-74.7	159.5	162.7	70.3	0	0	0	0	108.9	L474 Y475 D537	S472-L474 PolarHBondContact O-N 2.84Å; S472-L474 PolarHBondContact OG-N 3.1Å; S472-Y475 WeakPolarHBondContact O-CB 3.48Å; S472-Y475 PolarHBondContact O-N 2.81Å; S472-D537 WeakPolarHBondContact CB-OD2 3.24Å; S472-D537 PolarHBondContact OG-OD2 3.2Å
473	P	96.9	Very high	94.3	Very high	51 Å²	51	55.9 Å²	55.9	33%	0.331	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-8.4	169.8	-24.2	34.9	0	0	0	114.5	T634 I695 A698 L699	P473-T634 VanDerWaalsContact CD-OG1 3.28Å; P473-T634 WeakPolarHBondContact CD-OG1 3.29Å; P473-I695 HydrophobicContact CG-CB 4.05Å; P473-I695 HydrophobicContact CG-CG2 4.32Å; P473-A698 HydrophobicContact CB-CB 3.82Å; P473-A698 HydrophobicContact CG-CB 3.85Å; P473-L699 WeakPolarHBondContact O-CD2 3.21Å
474	L	97.2	Very high	94.5	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-5.3	178.2	-54.2	-172.7	0	0	0	113.6	S472 D476 R477 L478 T634 L636 L699 Y702	S472-L474 PolarHBondContact O-N 2.84Å; S472-L474 PolarHBondContact OG-N 3.1Å; L474-D476 PolarHBondContact O-N 3.22Å; L474-R477 CarbonylContact O-C 3.59Å; L474-R477 WeakPolarHBondContact O-CA 3.34Å; L474-R477 WeakPolarHBondContact O-CB 3.48Å; L474-R477 PolarHBondContact O-N 2.75Å; L474-L478 HydrophobicContact CB-CD1 3.86Å; L474-L478 HydrophobicContact CB-CG 3.99Å; L474-L478 WeakPolarHBondContact O-CG 3.16Å; L474-L478 PolarHBondContact O-N 3.08Å; L474-T634 HydrophobicContact CD1-CG2 4.5Å; L474-L636 HydrophobicContact CD1-CD1 4.31Å; L474-L636 HydrophobicContact CD1-CD2 3.59Å; L474-L699 HydrophobicContact CD2-CD2 3.86Å; L474-L699 HydrophobicContact CD2-CG 4.35Å; L474-Y702 HydrophobicContact CD1-CD1 4.47Å; L474-Y702 HydrophobicContact CD1-CD2 3.59Å; L474-Y702 HydrophobicContact CD1-CE2 4.17Å; L474-Y702 HydrophobicContact CD1-CG 3.75Å; L474-Y702 HydrophobicContact CD2-CD1 3.98Å; L474-Y702 HydrophobicContact CD2-CD2 4.45Å; L474-Y702 HydrophobicContact CD2-CG 3.76Å; L474-Y702 HydrophobicContact CG-CG 4.41Å
475	Y	97.5	Very high	94.6	Very high	26 Å²	26	50.7 Å²	50.7	10%	0.102	26%	0.263	C	S	.	.	H	α-helix	trans	-50	-58.7	-170.5	178.1	-91.8	0	0	0	113.5	Q468 T471 S472 R477 L478 D479 W485 E492	Q468-Y475 HydrophobicContact CG-CE1 4.45Å; Q468-Y475 HydrophobicContact CG-CE2 4.41Å; Q468-Y475 PolarHBondContact NE2-OH 3.02Å; T471-Y475 HydrophobicContact CG2-CD1 4.12Å; T471-Y475 HydrophobicContact CG2-CD2 3.61Å; T471-Y475 HydrophobicContact CG2-CE2 4.17Å; T471-Y475 HydrophobicContact CG2-CG 3.6Å; S472-Y475 WeakPolarHBondContact O-CB 3.48Å; S472-Y475 PolarHBondContact O-N 2.81Å; Y475-R477 PolarHBondContact O-N 3.14Å; Y475-L478 PolarHBondContact O-N 2.82Å; Y475-L478 VanDerWaalsContact O-N 3.14Å; Y475-D479 WeakPolarHBondContact O-CB 3.46Å; Y475-D479 PolarHBondContact O-N 2.21Å; Y475-W485 HydrophobicContact CD2-CD2 4.11Å; Y475-W485 AromaticContact CD2-CE2 3.78Å; Y475-W485 HydrophobicContact CD2-CE3 4.07Å; Y475-W485 AromaticContact CD2-CH2 3.43Å; Y475-W485 HydrophobicContact CD2-CH2 3.43Å; Y475-W485 VanDerWaalsContact CD2-CH2 3.43Å; Y475-W485 AromaticContact CD2-CZ2 3.45Å; Y475-W485 HydrophobicContact CD2-CZ2 3.45Å; Y475-W485 VanDerWaalsContact CD2-CZ2 3.45Å; Y475-W485 AromaticContact CD2-CZ3 3.74Å; Y475-W485 HydrophobicContact CD2-CZ3 3.74Å; Y475-W485 AromaticContact CE2-CD2 3.62Å; Y475-W485 HydrophobicContact CE2-CD2 3.62Å; Y475-W485 AromaticContact CE2-CE2 3.41Å; Y475-W485 VanDerWaalsContact CE2-CE2 3.41Å; Y475-W485 AromaticContact CE2-CE3 3.96Å; Y475-W485 HydrophobicContact CE2-CE3 3.96Å; Y475-W485 HydrophobicContact CE2-CG 4.14Å; Y475-W485 AromaticContact CE2-CH2 3.97Å; Y475-W485 HydrophobicContact CE2-CH2 3.97Å; Y475-W485 AromaticContact CE2-CZ2 3.62Å; Y475-W485 HydrophobicContact CE2-CZ2 3.62Å; Y475-W485 HydrophobicContact CE2-CZ3 4.11Å; Y475-W485 AromaticContact CE2-NE1 3.79Å; Y475-W485 HydrophobicContact CG-CH2 4.18Å; Y475-W485 HydrophobicContact CG-CZ2 4.12Å; Y475-W485 WeakPolarHBondContact O-CZ2 3.46Å; Y475-E492 HydrophobicContact CD2-CB 3.81Å; Y475-E492 HydrophobicContact CD2-CG 4.2Å; Y475-E492 HydrophobicContact CE2-CB 3.69Å; Y475-E492 HydrophobicContact CE2-CG 3.73Å
476	D	96.6	Very high	94.7	Very high	124 Å²	124	50.8 Å²	50.8	66%	0.663	26%	0.262	S	S	*	.	H	α-helix	trans	-61.7	-31.5	-179.8	-55.6	-40.7	0	0	0	112.6	L474 T480	L474-D476 PolarHBondContact O-N 3.22Å; D476-T480 WeakPolarHBondContact O-CB 3.24Å; D476-T480 WeakPolarHBondContact O-CG2 3.36Å; D476-T480 PolarHBondContact O-N 3.48Å; D476-T480 VanDerWaalsContact O-N 3.13Å; D476-T480 PolarHBondContact O-OG1 3.13Å
477	R	96.1	Very high	94.8	Very high	103 Å²	103	51.4 Å²	51.4	39%	0.389	26%	0.259	S	S	.	.	H	α-helix	trans	-73.3	-35.5	178.9	-174.7	60.1	61.1	112.3	0.2	112.1	L474 Y475 T480 Q481 Y702 N703	L474-R477 CarbonylContact O-C 3.59Å; L474-R477 WeakPolarHBondContact O-CA 3.34Å; L474-R477 WeakPolarHBondContact O-CB 3.48Å; L474-R477 PolarHBondContact O-N 2.75Å; Y475-R477 PolarHBondContact O-N 3.14Å; R477-T480 PolarHBondContact O-OG1 3.01Å; R477-Q481 WeakPolarHBondContact O-CB 3.39Å; R477-Q481 WeakPolarHBondContact O-CG 3.13Å; R477-Q481 PolarHBondContact O-N 3.37Å; R477-Q481 PolarHBondContact O-OE1 3.19Å; R477-Y702 HydrophobicContact CG-CD1 4.23Å; R477-Y702 HydrophobicContact CG-CE1 3.64Å; R477-N703 PolarHBondContact NH1-OD1 2.88Å
478	L	97.4	Very high	94.7	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-80.3	-35.4	177.3	-64.2	177.3	0	0	0	111.2	L474 Y475 Q481 G482 A483 W485 P494 F497 D537 Y702	L474-L478 HydrophobicContact CB-CD1 3.86Å; L474-L478 HydrophobicContact CB-CG 3.99Å; L474-L478 WeakPolarHBondContact O-CG 3.16Å; L474-L478 PolarHBondContact O-N 3.08Å; Y475-L478 PolarHBondContact O-N 2.82Å; Y475-L478 VanDerWaalsContact O-N 3.14Å; L478-Q481 CarbonylContact O-C 3.58Å; L478-Q481 WeakPolarHBondContact O-CA 3.37Å; L478-Q481 PolarHBondContact O-N 3.09Å; L478-Q481 VanDerWaalsContact O-N 3.11Å; L478-G482 PolarHBondContact O-N 2.95Å; L478-A483 HydrophobicContact CB-CB 4.21Å; L478-A483 WeakPolarHBondContact O-CB 3.2Å; L478-A483 PolarHBondContact O-N 2.96Å; L478-W485 HydrophobicContact CB-CH2 3.89Å; L478-W485 HydrophobicContact CB-CZ2 3.96Å; L478-W485 HydrophobicContact CD1-CH2 4.25Å; L478-P494 HydrophobicContact CD1-CG 4.04Å; L478-F497 HydrophobicContact CB-CE1 4.02Å; L478-F497 HydrophobicContact CB-CZ 4.34Å; L478-F497 HydrophobicContact CD2-CE1 3.89Å; L478-F497 HydrophobicContact CD2-CZ 3.96Å; L478-F497 HydrophobicContact CG-CE1 4.47Å; L478-D537 HydrophobicContact CD1-CB 3.9Å; L478-Y702 HydrophobicContact CD2-CE2 4.22Å; L478-Y702 WeakPolarHBondContact CD2-OH 3.46Å
479	D	95.8	Very high	94.5	Very high	63 Å²	63	47.5 Å²	47.5	34%	0.337	24%	0.242	S	C	.	.	H	α-helix	trans	-62	-50	175.5	-167.1	76	0	0	0	111.4	Y475 Q481 G482 W485	Y475-D479 WeakPolarHBondContact O-CB 3.46Å; Y475-D479 PolarHBondContact O-N 2.21Å; D479-Q481 PolarHBondContact O-N 2.91Å; D479-Q481 VanDerWaalsContact O-N 3.11Å; D479-G482 PolarHBondContact O-N 2.81Å; D479-W485 HydrophobicContact CB-CZ2 4.14Å; D479-W485 PolarHBondContact OD1-NE1 2.9Å
480	T	94.6	Very high	94.5	Very high	112 Å²	112	43.8 Å²	43.8	69%	0.687	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.8	172.7	49.8	0	0	0	0	114	D476 R477	D476-T480 WeakPolarHBondContact O-CB 3.24Å; D476-T480 WeakPolarHBondContact O-CG2 3.36Å; D476-T480 PolarHBondContact O-N 3.48Å; D476-T480 VanDerWaalsContact O-N 3.13Å; D476-T480 PolarHBondContact O-OG1 3.13Å; R477-T480 PolarHBondContact O-OG1 3.01Å
481	Q	94.3	Very high	94.6	Very high	79 Å²	79	42.7 Å²	42.7	37%	0.369	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	13.4	173.5	-70.3	173.1	-8.1	0	0	113	R477 L478 D479 Y702 N716	R477-Q481 WeakPolarHBondContact O-CB 3.39Å; R477-Q481 WeakPolarHBondContact O-CG 3.13Å; R477-Q481 PolarHBondContact O-N 3.37Å; R477-Q481 PolarHBondContact O-OE1 3.19Å; L478-Q481 CarbonylContact O-C 3.58Å; L478-Q481 WeakPolarHBondContact O-CA 3.37Å; L478-Q481 PolarHBondContact O-N 3.09Å; L478-Q481 VanDerWaalsContact O-N 3.11Å; D479-Q481 PolarHBondContact O-N 2.91Å; D479-Q481 VanDerWaalsContact O-N 3.11Å; Q481-Y702 PolarHBondContact OE1-OH 3.16Å; Q481-N716 PolarHBondContact OE1-ND2 3.42Å
482	G	94.1	Very high	94.6	Very high	14 Å²	14	39.9 Å²	39.9	14%	0.144	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	15.1	172.1	0	0	0	0	0	114.9	L478 D479 R484 V498	L478-G482 PolarHBondContact O-N 2.95Å; D479-G482 PolarHBondContact O-N 2.81Å; G482-R484 PolarHBondContact O-N 2.56Å; G482-V498 PolarHBondContact O-N 3.29Å
483	A	95.6	Very high	94.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	140.5	174.1	0	0	0	0	0	111.5	L478 W485 P494 F497	L478-A483 HydrophobicContact CB-CB 4.21Å; L478-A483 WeakPolarHBondContact O-CB 3.2Å; L478-A483 PolarHBondContact O-N 2.96Å; A483-W485 HydrophobicContact CB-CD2 4.4Å; A483-W485 HydrophobicContact CB-CH2 4.44Å; A483-W485 HydrophobicContact CB-CZ2 3.78Å; A483-P494 HydrophobicContact CB-CB 4.31Å; A483-F497 HydrophobicContact CB-CD1 4.06Å; A483-F497 HydrophobicContact CB-CE1 3.7Å; A483-F497 HydrophobicContact CB-CZ 4.18Å
484	R	94.3	Very high	94.6	Very high	39 Å²	39	38.1 Å²	38.1	15%	0.147	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.9	163.5	-65.4	-64.4	91.5	168.1	3.5	108.4	G482 K495 Y496 V498 D508	G482-R484 PolarHBondContact O-N 2.56Å; R484-K495 HydrophobicContact CB-CD 4.36Å; R484-K495 VanDerWaalsContact O-CB 3.31Å; R484-K495 WeakPolarHBondContact O-CB 3.11Å; R484-K495 WeakPolarHBondContact O-CG 3.33Å; R484-K495 PolarHBondContact O-N 3.36Å; R484-Y496 HydrophobicContact CB-CD2 4.45Å; R484-Y496 HydrophobicContact CB-CE1 4.32Å; R484-Y496 HydrophobicContact CB-CE2 4.06Å; R484-Y496 HydrophobicContact CG-CD2 4.22Å; R484-Y496 HydrophobicContact CG-CE2 3.57Å; R484-Y496 PolarHBondContact N-O 3.26Å; R484-V498 HydrophobicContact CG-CG2 3.76Å; R484-D508 WeakPolarHBondContact CD-OD1 3.4Å; R484-D508 IonicContact CZ-OD2 2.77Å; R484-D508 IonicContact NH1-OD1 3.24Å; R484-D508 IonicContact NH1-OD2 2.72Å; R484-D508 PolarHBondContact NH1-OD2 3.32Å
485	W	94.3	Very high	94.5	Very high	24 Å²	24	39.6 Å²	39.6	9%	0.091	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.5	-165.4	-60.7	100.3	0	0	0	114.1	R467 Y475 L478 D479 A483 E492 R493 P494 K495	R467-W485 VanDerWaalsContact NH2-CB 3.34Å; R467-W485 PolarHBondContact NH2-O 2.57Å; R467-W485 VanDerWaalsContact NH2-O 3.15Å; Y475-W485 HydrophobicContact CD2-CD2 4.11Å; Y475-W485 AromaticContact CD2-CE2 3.78Å; Y475-W485 HydrophobicContact CD2-CE3 4.07Å; Y475-W485 AromaticContact CD2-CH2 3.43Å; Y475-W485 HydrophobicContact CD2-CH2 3.43Å; Y475-W485 VanDerWaalsContact CD2-CH2 3.43Å; Y475-W485 AromaticContact CD2-CZ2 3.45Å; Y475-W485 HydrophobicContact CD2-CZ2 3.45Å; Y475-W485 VanDerWaalsContact CD2-CZ2 3.45Å; Y475-W485 AromaticContact CD2-CZ3 3.74Å; Y475-W485 HydrophobicContact CD2-CZ3 3.74Å; Y475-W485 AromaticContact CE2-CD2 3.62Å; Y475-W485 HydrophobicContact CE2-CD2 3.62Å; Y475-W485 AromaticContact CE2-CE2 3.41Å; Y475-W485 VanDerWaalsContact CE2-CE2 3.41Å; Y475-W485 AromaticContact CE2-CE3 3.96Å; Y475-W485 HydrophobicContact CE2-CE3 3.96Å; Y475-W485 HydrophobicContact CE2-CG 4.14Å; Y475-W485 AromaticContact CE2-CH2 3.97Å; Y475-W485 HydrophobicContact CE2-CH2 3.97Å; Y475-W485 AromaticContact CE2-CZ2 3.62Å; Y475-W485 HydrophobicContact CE2-CZ2 3.62Å; Y475-W485 HydrophobicContact CE2-CZ3 4.11Å; Y475-W485 AromaticContact CE2-NE1 3.79Å; Y475-W485 HydrophobicContact CG-CH2 4.18Å; Y475-W485 HydrophobicContact CG-CZ2 4.12Å; Y475-W485 WeakPolarHBondContact O-CZ2 3.46Å; L478-W485 HydrophobicContact CB-CH2 3.89Å; L478-W485 HydrophobicContact CB-CZ2 3.96Å; L478-W485 HydrophobicContact CD1-CH2 4.25Å; D479-W485 HydrophobicContact CB-CZ2 4.14Å; D479-W485 PolarHBondContact OD1-NE1 2.9Å; A483-W485 HydrophobicContact CB-CD2 4.4Å; A483-W485 HydrophobicContact CB-CH2 4.44Å; A483-W485 HydrophobicContact CB-CZ2 3.78Å; W485-E492 WeakPolarHBondContact CB-OE2 3.21Å; W485-E492 HydrophobicContact CD2-CB 4.37Å; W485-E492 HydrophobicContact CE3-CB 3.7Å; W485-E492 HydrophobicContact CZ3-CB 4.05Å; W485-R493 VanDerWaalsContact CE3-C 3.49Å; W485-P494 HydrophobicContact CE3-CG 4.24Å; W485-P494 HydrophobicContact CH2-CG 4.01Å; W485-P494 HydrophobicContact CZ3-CG 3.66Å; W485-K495 VanDerWaalsContact O-CE 3.25Å; W485-K495 WeakPolarHBondContact O-CE 3.28Å
486	M	93.8	Very high	94.4	Very high	39 Å²	39	38.8 Å²	38.8	19%	0.192	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	152.9	162.2	59.5	177	-60.4	0	0	110.5	D462 R493 K495 Y720	D462-M486 WeakPolarHBondContact OD1-CA 3.34Å; D462-M486 WeakPolarHBondContact OD1-CB 3.26Å; M486-R493 HydrophobicContact CG-CB 3.91Å; M486-R493 WeakPolarHBondContact CG-O 3.4Å; M486-R493 PolarHBondContact N-O 3.01Å; M486-R493 PolarHBondContact O-N 3.23Å; M486-K495 HydrophobicContact CB-CD 4.35Å; M486-K495 HydrophobicContact CB-CG 3.77Å; M486-K495 HydrophobicContact CG-CG 3.86Å; M486-K495 HydrophobicContact SD-CG 4.33Å; M486-Y720 HydrophobicContact SD-CE1 4.35Å
487	E	91.9	Very high	94.4	Very high	35 Å²	35	33.9 Å²	33.9	16%	0.164	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	142.1	178	-175	-83.6	128.7	0	0	111.3	H489 G490 F491	E487-H489 PolarHBondContact OE1-N 2.72Å; E487-G490 WeakPolarHBondContact OE1-CA 3.28Å; E487-G490 PolarHBondContact OE1-N 3.08Å; E487-F491 CarbonylContact C-O 3.25Å; E487-F491 WeakPolarHBondContact CA-O 3.4Å
488	K	91.3	Very high	94.4	Very high	75 Å²	75	29.4 Å²	29.4	33%	0.326	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	116.6	166.8	-160	65	175.7	172.5	0	114.1	G490 F491 T604 D605	K488-G490 PolarHBondContact O-N 3.25Å; K488-F491 PolarHBondContact N-O 3.35Å; K488-F491 WeakPolarHBondContact O-CB 3.35Å; K488-F491 PolarHBondContact O-N 3Å; K488-T604 HydrophobicContact CB-CG2 4.35Å; K488-T604 HydrophobicContact CG-CG2 4.06Å; K488-T604 WeakPolarHBondContact O-CG2 3.44Å; K488-D605 WeakPolarHBondContact CE-OD1 3.46Å; K488-D605 WeakPolarHBondContact CE-OD2 3.33Å; K488-D605 IonicContact NZ-OD1 3.68Å; K488-D605 IonicContact NZ-OD2 2.65Å; K488-D605 PolarHBondContact NZ-OD2 2.95Å
489	H	89.1	Confident	94.1	Very high	18 Å²	18	32.3 Å²	32.3	8%	0.083	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	41.9	-179.7	-158.9	84.1	0	0	0	112.8	R431 G433 R470 E487 F491 T604 Q607	R431-H489 PolarHBondContact O-ND1 2.97Å; G433-H489 PolarHBondContact N-CE1 3.1Å; G433-H489 VanDerWaalsContact N-CE1 3.32Å; R470-H489 WeakPolarHBondContact CD-O 3.34Å; R470-H489 PolarHBondContact NH1-CD2 3.25Å; R470-H489 PolarHBondContact NH1-O 3.3Å; E487-H489 PolarHBondContact OE1-N 2.72Å; H489-F491 VanDerWaalsContact C-N 3.32Å; H489-T604 HydrophobicContact CB-CG2 3.78Å; H489-Q607 PolarHBondContact CD2-OE1 3.21Å; H489-Q607 VanDerWaalsContact CD2-OE1 3.29Å
490	G	90.1	Very high	93.7	Very high	2 Å²	2	36 Å²	36	2%	0.021	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-17.1	-175.1	0	0	0	0	0	114.5	R470 E487 K488	R470-G490 WeakPolarHBondContact CB-O 3.46Å; R470-G490 PolarHBondContact N-O 2.88Å; E487-G490 WeakPolarHBondContact OE1-CA 3.28Å; E487-G490 PolarHBondContact OE1-N 3.08Å; K488-G490 PolarHBondContact O-N 3.25Å
491	F	93.9	Very high	93.1	Very high	13 Å²	13	34.9 Å²	34.9	6%	0.057	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.6	-175.5	-76.1	-75.2	0	0	0	113.7	R470 E487 K488 H489 T604	R470-F491 HydrophobicContact CB-CD1 3.54Å; R470-F491 HydrophobicContact CB-CE1 3.86Å; R470-F491 HydrophobicContact CB-CG 3.96Å; R470-F491 VanDerWaalsContact CZ-CZ 3.45Å; R470-F491 VanDerWaalsContact NH2-CE2 3.3Å; R470-F491 VanDerWaalsContact O-CA 3.29Å; R470-F491 WeakPolarHBondContact O-CA 3.34Å; E487-F491 CarbonylContact C-O 3.25Å; E487-F491 WeakPolarHBondContact CA-O 3.4Å; K488-F491 PolarHBondContact N-O 3.35Å; K488-F491 WeakPolarHBondContact O-CB 3.35Å; K488-F491 PolarHBondContact O-N 3Å; H489-F491 VanDerWaalsContact C-N 3.32Å; F491-T604 HydrophobicContact CD2-CG2 4.25Å
492	E	96.3	Very high	92.6	Very high	7 Å²	7	35.6 Å²	35.6	3%	0.033	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	131.2	162.3	-63.6	-59.3	155.8	0	0	110.9	R467 Q468 R470 T471 Y475 W485	R467-E492 WeakPolarHBondContact CA-OE1 3.3Å; R467-E492 WeakPolarHBondContact CB-OE1 3.35Å; R467-E492 IonicContact CZ-OE1 2.6Å; R467-E492 IonicContact CZ-OE2 2.63Å; R467-E492 IonicContact NE-OE1 2.67Å; R467-E492 PolarHBondContact NE-OE1 3.15Å; R467-E492 IonicContact NE-OE2 3.76Å; R467-E492 PolarHBondContact NE-OE2 2.82Å; R467-E492 IonicContact NH2-OE1 3.95Å; R467-E492 IonicContact NH2-OE2 3.95Å; R467-E492 PolarHBondContact NH2-OE2 3.33Å; Q468-E492 HydrophobicContact CG-CG 4.17Å; Q468-E492 PolarHBondContact N-OE1 3.46Å; R470-E492 PolarHBondContact O-N 3.17Å; T471-E492 HydrophobicContact CG2-CB 4.37Å; T471-E492 HydrophobicContact CG2-CG 4.14Å; Y475-E492 HydrophobicContact CD2-CB 3.81Å; Y475-E492 HydrophobicContact CD2-CG 4.2Å; Y475-E492 HydrophobicContact CE2-CB 3.69Å; Y475-E492 HydrophobicContact CE2-CG 3.73Å; W485-E492 WeakPolarHBondContact CB-OE2 3.21Å; W485-E492 HydrophobicContact CD2-CB 4.37Å; W485-E492 HydrophobicContact CE3-CB 3.7Å; W485-E492 HydrophobicContact CZ3-CB 4.05Å
493	R	96.4	Very high	91.9	Very high	21 Å²	21	39.2 Å²	39.2	8%	0.079	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	130.5	-176.6	-72.8	165.6	63.6	160.4	-9.6	110.8	W485 M486 K495 S540 T604 Y719	W485-R493 VanDerWaalsContact CE3-C 3.49Å; M486-R493 HydrophobicContact CG-CB 3.91Å; M486-R493 WeakPolarHBondContact CG-O 3.4Å; M486-R493 PolarHBondContact N-O 3.01Å; M486-R493 PolarHBondContact O-N 3.23Å; R493-K495 PolarHBondContact O-N 3.37Å; R493-S540 WeakPolarHBondContact CD-OG 3.26Å; R493-T604 PolarHBondContact NH1-OG1 3.28Å; R493-Y719 HydrophobicContact CB-CD2 3.74Å; R493-Y719 HydrophobicContact CB-CE2 3.71Å; R493-Y719 HydrophobicContact CG-CD2 4.28Å; R493-Y719 HydrophobicContact CG-CE2 3.76Å; R493-Y719 VanDerWaalsContact NE-CE2 3.31Å; R493-Y719 VanDerWaalsContact NE-CZ 3.32Å
494	P	96.8	Very high	91.1	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.013	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	122	176.9	-19.1	31.9	0	0	0	111.3	L478 A483 W485 F497 D537 G718 Y719	L478-P494 HydrophobicContact CD1-CG 4.04Å; A483-P494 HydrophobicContact CB-CB 4.31Å; W485-P494 HydrophobicContact CE3-CG 4.24Å; W485-P494 HydrophobicContact CH2-CG 4.01Å; W485-P494 HydrophobicContact CZ3-CG 3.66Å; P494-F497 HydrophobicContact CB-CE2 3.63Å; P494-F497 HydrophobicContact CB-CZ 3.64Å; P494-F497 HydrophobicContact CG-CE2 4.32Å; P494-F497 HydrophobicContact CG-CZ 3.93Å; P494-D537 HydrophobicContact CG-CB 4.49Å; P494-G718 CarbonylContact O-C 3.49Å; P494-G718 WeakPolarHBondContact O-CA 3.27Å; P494-Y719 WeakPolarHBondContact O-CD2 3.19Å; P494-Y719 PolarHBondContact O-N 3.15Å
495	K	95.3	Very high	90.2	Very high	33 Å²	33	46.1 Å²	46.1	14%	0.143	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	-50.6	171.6	-64.2	170	173.2	180	0	110.8	D462 R484 W485 M486 R493 G718 Y719 Y720	D462-K495 WeakPolarHBondContact OD2-CE 3.26Å; D462-K495 IonicContact OD2-NZ 3.87Å; D462-K495 PolarHBondContact OD2-NZ 2.89Å; R484-K495 HydrophobicContact CB-CD 4.36Å; R484-K495 VanDerWaalsContact O-CB 3.31Å; R484-K495 WeakPolarHBondContact O-CB 3.11Å; R484-K495 WeakPolarHBondContact O-CG 3.33Å; R484-K495 PolarHBondContact O-N 3.36Å; W485-K495 VanDerWaalsContact O-CE 3.25Å; W485-K495 WeakPolarHBondContact O-CE 3.28Å; M486-K495 HydrophobicContact CB-CD 4.35Å; M486-K495 HydrophobicContact CB-CG 3.77Å; M486-K495 HydrophobicContact CG-CG 3.86Å; M486-K495 HydrophobicContact SD-CG 4.33Å; R493-K495 PolarHBondContact O-N 3.37Å; K495-G718 CarbonylContact O-C 3.49Å; K495-G718 VanDerWaalsContact O-C 3.32Å; K495-G718 VanDerWaalsContact O-CA 3.3Å; K495-G718 WeakPolarHBondContact O-CA 3.22Å; K495-Y719 PolarHBondContact O-N 3.14Å; K495-Y719 VanDerWaalsContact O-N 3.16Å; K495-Y720 HydrophobicContact CB-CD1 4.2Å; K495-Y720 HydrophobicContact CB-CD2 4.36Å; K495-Y720 HydrophobicContact CB-CE1 3.94Å; K495-Y720 HydrophobicContact CB-CE2 4.12Å; K495-Y720 HydrophobicContact CB-CG 4.4Å; K495-Y720 HydrophobicContact CD-CE2 4.48Å; K495-Y720 HydrophobicContact CG-CE1 3.95Å; K495-Y720 WeakPolarHBondContact O-CB 3.3Å; K495-Y720 PolarHBondContact O-N 3.28Å
496	Y	95.9	Very high	89.5	Confident	8 Å²	8	47.7 Å²	47.7	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	170.7	-178.2	58.2	-95.3	0	0	0	108.5	R484 V498 W518 I521 V522 E525 Y720	R484-Y496 HydrophobicContact CB-CD2 4.45Å; R484-Y496 HydrophobicContact CB-CE1 4.32Å; R484-Y496 HydrophobicContact CB-CE2 4.06Å; R484-Y496 HydrophobicContact CG-CD2 4.22Å; R484-Y496 HydrophobicContact CG-CE2 3.57Å; R484-Y496 PolarHBondContact N-O 3.26Å; Y496-V498 HydrophobicContact CD2-CG2 4.1Å; Y496-V498 HydrophobicContact CE2-CG2 3.64Å; Y496-W518 HydrophobicContact CD1-CB 3.99Å; Y496-W518 HydrophobicContact CD1-CG 4.18Å; Y496-W518 HydrophobicContact CD2-CB 4.4Å; Y496-W518 HydrophobicContact CE1-CB 3.54Å; Y496-W518 AromaticContact CE1-CD1 3.84Å; Y496-W518 HydrophobicContact CE1-CD2 4.5Å; Y496-W518 AromaticContact CE1-CG 3.68Å; Y496-W518 HydrophobicContact CE1-CG 3.68Å; Y496-W518 HydrophobicContact CE2-CB 3.97Å; Y496-W518 HydrophobicContact CG-CB 4.41Å; Y496-I521 HydrophobicContact CD2-CD1 4.4Å; Y496-I521 HydrophobicContact CD2-CG2 3.96Å; Y496-I521 HydrophobicContact CE2-CD1 4.22Å; Y496-V522 HydrophobicContact CD1-CG2 4.4Å; Y496-V522 HydrophobicContact CG-CG2 4.31Å; Y496-E525 WeakPolarHBondContact CA-OE1 3.5Å; Y496-E525 WeakPolarHBondContact CB-OE1 3.35Å; Y496-Y720 AromaticContact CD1-CD2 3.71Å; Y496-Y720 HydrophobicContact CD1-CD2 3.71Å; Y496-Y720 AromaticContact CD1-CE2 3.89Å; Y496-Y720 HydrophobicContact CD1-CE2 3.89Å; Y496-Y720 HydrophobicContact CD1-CG 4.5Å; Y496-Y720 HydrophobicContact CE1-CD2 4.22Å; Y496-Y720 AromaticContact CE1-CE2 3.98Å; Y496-Y720 HydrophobicContact CE1-CE2 3.98Å
497	F	96.3	Very high	88.8	Confident	21 Å²	21	46.7 Å²	46.7	9%	0.092	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120	-178.7	-69.7	-97.5	0	0	0	110.9	L478 A483 P494 P499 I521 E525 N716	L478-F497 HydrophobicContact CB-CE1 4.02Å; L478-F497 HydrophobicContact CB-CZ 4.34Å; L478-F497 HydrophobicContact CD2-CE1 3.89Å; L478-F497 HydrophobicContact CD2-CZ 3.96Å; L478-F497 HydrophobicContact CG-CE1 4.47Å; A483-F497 HydrophobicContact CB-CD1 4.06Å; A483-F497 HydrophobicContact CB-CE1 3.7Å; A483-F497 HydrophobicContact CB-CZ 4.18Å; P494-F497 HydrophobicContact CB-CE2 3.63Å; P494-F497 HydrophobicContact CB-CZ 3.64Å; P494-F497 HydrophobicContact CG-CE2 4.32Å; P494-F497 HydrophobicContact CG-CZ 3.93Å; F497-P499 WeakPolarHBondContact O-CD 3.49Å; F497-I521 WeakPolarHBondContact O-CG2 3.29Å; F497-E525 PolarHBondContact N-OE1 2.9Å; F497-N716 HydrophobicContact CD1-CB 3.86Å; F497-N716 HydrophobicContact CD2-CB 3.68Å; F497-N716 HydrophobicContact CE1-CB 3.62Å; F497-N716 HydrophobicContact CE2-CB 3.47Å; F497-N716 VanDerWaalsContact CE2-CB 3.47Å; F497-N716 HydrophobicContact CG-CB 3.89Å; F497-N716 HydrophobicContact CZ-CB 3.44Å; F497-N716 VanDerWaalsContact CZ-CB 3.44Å
498	V	94.6	Very high	88.1	Confident	10 Å²	10	49.4 Å²	49.4	6%	0.061	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-79.3	125	-179.2	-178.3	0	0	0	0	110.4	G482 R484 Y496 K502 L504 L507 I521	G482-V498 PolarHBondContact O-N 3.29Å; R484-V498 HydrophobicContact CG-CG2 3.76Å; Y496-V498 HydrophobicContact CD2-CG2 4.1Å; Y496-V498 HydrophobicContact CE2-CG2 3.64Å; V498-K502 HydrophobicContact CG1-CB 3.67Å; V498-L504 HydrophobicContact CB-CD2 3.66Å; V498-L504 HydrophobicContact CG1-CD2 3.58Å; V498-L504 HydrophobicContact CG2-CD2 3.77Å; V498-L507 HydrophobicContact CG1-CD1 3.94Å; V498-L507 HydrophobicContact CG2-CD1 3.8Å; V498-I521 HydrophobicContact CG2-CD1 4.4Å
499	P	90.9	Very high	87.4	Confident	64 Å²	64	52.8 Å²	52.8	42%	0.416	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-63.8	149	174.9	-22.4	34.2	0	0	0	112.5	F497 G501 K502	F497-P499 WeakPolarHBondContact O-CD 3.49Å; P499-G501 PolarHBondContact O-N 2.99Å; P499-K502 PolarHBondContact O-N 3.4Å
500	P	87.8	Confident	87	Confident	140 Å²	140	53.6 Å²	53.6	91%	0.909	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	137.3	173.5	-26.2	34.6	0	0	0	112.4
501	G	82.5	Confident	86.7	Confident	89 Å²	89	59.9 Å²	59.9	92%	0.918	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-3.1	177	0	0	0	0	0	116.2	P499	P499-G501 PolarHBondContact O-N 2.99Å
502	K	83.3	Confident	86.6	Confident	93 Å²	93	60.8 Å²	60.8	40%	0.404	35%	0.345	S	S	.	.	S	Bend	trans	-79.9	145.7	164	-79.1	-156.7	171.9	-161.2	0	111	V498 P499 L504 I521	V498-K502 HydrophobicContact CG1-CB 3.67Å; P499-K502 PolarHBondContact O-N 3.4Å; K502-L504 PolarHBondContact O-N 3.41Å; K502-I521 HydrophobicContact CD-CD1 3.94Å; K502-I521 HydrophobicContact CD-CG1 4.34Å
503	D	80.5	Confident	86.5	Confident	90 Å²	90	60.6 Å²	60.6	48%	0.481	34%	0.344	S	S	.	.			trans	-71.9	115.7	172.4	172.7	28.6	0	0	0	110.6	L505 S506	D503-L505 WeakPolarHBondContact OD1-CB 3.33Å; D503-L505 PolarHBondContact OD1-N 3.42Å; D503-S506 WeakPolarHBondContact CB-OG 3.48Å; D503-S506 VanDerWaalsContact CG-OG 3.25Å; D503-S506 PolarHBondContact O-OG 3.4Å; D503-S506 WeakPolarHBondContact OD2-CB 3.27Å; D503-S506 PolarHBondContact OD2-N 3.35Å; D503-S506 VanDerWaalsContact OD2-N 3.11Å; D503-S506 PolarHBondContact OD2-OG 2.91Å
504	L	78.4	Confident	86.3	Confident	67 Å²	67	63.2 Å²	63.2	35%	0.351	35%	0.354	S	S	.	.	H	α-helix	trans	-74	-31.9	178.8	-64.7	172.1	0	0	0	112.1	V498 K502 L507 D508	V498-L504 HydrophobicContact CB-CD2 3.66Å; V498-L504 HydrophobicContact CG1-CD2 3.58Å; V498-L504 HydrophobicContact CG2-CD2 3.77Å; K502-L504 PolarHBondContact O-N 3.41Å; L504-L507 PolarHBondContact O-N 2.76Å; L504-D508 WeakPolarHBondContact O-CB 3.33Å; L504-D508 PolarHBondContact O-N 3.05Å
505	L	75.5	Confident	86.2	Confident	117 Å²	117	65.1 Å²	65.1	61%	0.613	36%	0.362	S	S	*	.	H	α-helix	trans	-70.5	-41.6	-174.4	-66.5	173.1	0	0	0	111.1	D503 D508 Q509	D503-L505 WeakPolarHBondContact OD1-CB 3.33Å; D503-L505 PolarHBondContact OD1-N 3.42Å; L505-D508 PolarHBondContact O-N 3.12Å; L505-Q509 WeakPolarHBondContact O-CB 3.49Å; L505-Q509 VanDerWaalsContact O-CG 3.22Å; L505-Q509 WeakPolarHBondContact O-CG 3.19Å; L505-Q509 PolarHBondContact O-N 3.16Å
506	S	79.2	Confident	86	Confident	58 Å²	58	63.8 Å²	63.8	41%	0.406	36%	0.357	S	S	.	.	H	α-helix	trans	-61.4	-43.1	172.2	48.5	0	0	0	0	112.7	D503 Q509 S510	D503-S506 WeakPolarHBondContact CB-OG 3.48Å; D503-S506 VanDerWaalsContact CG-OG 3.25Å; D503-S506 PolarHBondContact O-OG 3.4Å; D503-S506 WeakPolarHBondContact OD2-CB 3.27Å; D503-S506 PolarHBondContact OD2-N 3.35Å; D503-S506 VanDerWaalsContact OD2-N 3.11Å; D503-S506 PolarHBondContact OD2-OG 2.91Å; S506-Q509 PolarHBondContact O-N 3.31Å; S506-S510 PolarHBondContact O-N 3.43Å
507	L	80	Confident	85.8	Confident	17 Å²	17	67.6 Å²	67.6	9%	0.089	38%	0.378	C	S	.	.	H	α-helix	trans	-64.1	-41	178.2	-72.5	172.3	0	0	0	113	V498 L504 Q509 S510 D517 I521	V498-L507 HydrophobicContact CG1-CD1 3.94Å; V498-L507 HydrophobicContact CG2-CD1 3.8Å; L504-L507 PolarHBondContact O-N 2.76Å; L507-Q509 VanDerWaalsContact C-N 3.34Å; L507-S510 WeakPolarHBondContact O-CB 3.39Å; L507-S510 PolarHBondContact O-N 3.26Å; L507-D517 HydrophobicContact CD2-CB 3.75Å; L507-I521 HydrophobicContact CD1-CD1 3.93Å; L507-I521 HydrophobicContact CD2-CD1 4.45Å
508	D	75.4	Confident	85.6	Confident	93 Å²	93	67.8 Å²	67.8	50%	0.497	38%	0.378	S	S	.	.	H	α-helix	trans	-76	-22.6	179.2	-70.6	-29.7	0	0	0	112.5	R484 L504 L505	R484-D508 WeakPolarHBondContact CD-OD1 3.4Å; R484-D508 IonicContact CZ-OD2 2.77Å; R484-D508 IonicContact NH1-OD1 3.24Å; R484-D508 IonicContact NH1-OD2 2.72Å; R484-D508 PolarHBondContact NH1-OD2 3.32Å; L504-D508 WeakPolarHBondContact O-CB 3.33Å; L504-D508 PolarHBondContact O-N 3.05Å; L505-D508 PolarHBondContact O-N 3.12Å
509	Q	77.6	Confident	85.6	Confident	146 Å²	146	68.2 Å²	68.2	68%	0.682	38%	0.379	S	S	*	.	H	α-helix	trans	-87.1	-14.7	172.7	-70.1	177.5	14.8	0	0	113.9	L505 S506 L507 K511	L505-Q509 WeakPolarHBondContact O-CB 3.49Å; L505-Q509 VanDerWaalsContact O-CG 3.22Å; L505-Q509 WeakPolarHBondContact O-CG 3.19Å; L505-Q509 PolarHBondContact O-N 3.16Å; S506-Q509 PolarHBondContact O-N 3.31Å; L507-Q509 VanDerWaalsContact C-N 3.34Å; Q509-K511 PolarHBondContact O-N 3.35Å
510	S	79.9	Confident	85.8	Confident	35 Å²	35	69.9 Å²	69.9	25%	0.245	39%	0.385	C	S	.	.			trans	-56.5	122.7	-177.8	-175.3	0	0	0	0	112.6	S506 L507 D517	S506-S510 PolarHBondContact O-N 3.43Å; L507-S510 WeakPolarHBondContact O-CB 3.39Å; L507-S510 PolarHBondContact O-N 3.26Å; S510-D517 WeakPolarHBondContact CB-OD2 3.33Å; S510-D517 PolarHBondContact OG-OD2 3.12Å
511	K	84.3	Confident	86.2	Confident	133 Å²	133	63.6 Å²	63.6	58%	0.578	34%	0.343	S	S	*	.			trans	-137.8	111.2	175.8	-69.6	-178.5	-176.6	179.5	0	109.5	V458 Q509	V458-K511 HydrophobicContact CG1-CB 4.12Å; V458-K511 HydrophobicContact CG2-CB 3.74Å; V458-K511 HydrophobicContact CG2-CD 4.47Å; V458-K511 HydrophobicContact CG2-CG 3.84Å; Q509-K511 PolarHBondContact O-N 3.35Å
512	T	91.3	Very high	86.8	Confident	32 Å²	32	59.4 Å²	59.4	20%	0.196	30%	0.3	C	S	.	.			trans	-149.4	152.8	-175.9	-176	0	0	0	0	112.9	Y514	T512-Y514 WeakPolarHBondContact OG1-CB 3.42Å; T512-Y514 PolarHBondContact OG1-N 2.66Å
513	F	93.8	Very high	87.5	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.018	29%	0.287	C	S	.	.	S	Bend	trans	-96.5	-5.5	167.3	-71.5	-74.7	0	0	0	113.5	D147 I150 L456 V458 P459 L793 W794	D147-F513 HydrophobicContact CB-CD2 4.17Å; D147-F513 HydrophobicContact CB-CE2 3.96Å; D147-F513 VanDerWaalsContact O-CE2 3.29Å; D147-F513 WeakPolarHBondContact O-CE2 3.45Å; I150-F513 HydrophobicContact CB-CD2 4.21Å; I150-F513 HydrophobicContact CB-CE2 4.48Å; I150-F513 HydrophobicContact CG2-CB 4Å; I150-F513 HydrophobicContact CG2-CD1 4.14Å; I150-F513 HydrophobicContact CG2-CD2 3.8Å; I150-F513 HydrophobicContact CG2-CE2 4.29Å; I150-F513 HydrophobicContact CG2-CG 3.73Å; L456-F513 HydrophobicContact CD1-CE2 4.35Å; L456-F513 HydrophobicContact CD1-CZ 4.3Å; V458-F513 HydrophobicContact CG1-CD2 4.35Å; V458-F513 HydrophobicContact CG1-CE2 3.99Å; V458-F513 HydrophobicContact CG1-CZ 4.17Å; P459-F513 HydrophobicContact CG-CD1 4.01Å; P459-F513 HydrophobicContact CG-CE1 4.14Å; F513-L793 HydrophobicContact CB-CD2 3.77Å; F513-W794 PolarHBondContact O-N 2.96Å
514	Y	94	Very high	88.3	Confident	75 Å²	75	53.6 Å²	53.6	29%	0.294	28%	0.283	S	S	.	.	S	Bend	trans	-97.9	-157.9	-179.4	-58.7	-90.9	0	0	0	110.3	I150 T512 P516 L791 L793	I150-Y514 HydrophobicContact CD1-CE2 4.16Å; T512-Y514 WeakPolarHBondContact OG1-CB 3.42Å; T512-Y514 PolarHBondContact OG1-N 2.66Å; Y514-P516 WeakPolarHBondContact O-CD 2.99Å; Y514-L791 WeakPolarHBondContact CE1-O 3.35Å; Y514-L793 HydrophobicContact CD1-CD2 3.94Å; Y514-L793 HydrophobicContact CD1-CG 4.5Å; Y514-L793 HydrophobicContact CD2-CD2 4.25Å; Y514-L793 HydrophobicContact CE1-CD2 3.57Å; Y514-L793 HydrophobicContact CE1-CG 4.05Å; Y514-L793 HydrophobicContact CE2-CD2 3.88Å; Y514-L793 HydrophobicContact CG-CD2 4.26Å
515	K	93.8	Very high	89.3	Confident	43 Å²	43	51 Å²	51	19%	0.187	27%	0.269	C	S	.	.	S	Bend	trans	-51.1	124.2	170	-165	179.1	174.8	-175.9	0	111.3	F519 T789 E790	K515-F519 HydrophobicContact CD-CG 4.47Å; K515-F519 HydrophobicContact CG-CB 4.14Å; K515-F519 HydrophobicContact CG-CD2 4.37Å; K515-F519 HydrophobicContact CG-CG 4.19Å; K515-T789 WeakPolarHBondContact CB-O 3.23Å; K515-T789 HydrophobicContact CD-CG2 4.2Å; K515-T789 HydrophobicContact CG-CG2 4.28Å; K515-E790 WeakPolarHBondContact CD-OE1 3.34Å; K515-E790 VanDerWaalsContact CD-OE2 3.23Å; K515-E790 WeakPolarHBondContact CD-OE2 3.33Å; K515-E790 WeakPolarHBondContact CE-OE1 3.44Å; K515-E790 IonicContact NZ-OE1 2.78Å; K515-E790 PolarHBondContact NZ-OE1 3.5Å; K515-E790 IonicContact NZ-OE2 3.26Å; K515-E790 PolarHBondContact NZ-OE2 3.36Å
516	P	92.3	Very high	90.3	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.032	24%	0.24	C	C	.	.			trans	-81.5	147.1	176.8	-17.5	34.1	0	0	0	112.7	Y514 W518 F519 W794 W796	Y514-P516 WeakPolarHBondContact O-CD 2.99Å; P516-W518 HydrophobicContact CB-CD2 3.87Å; P516-W518 HydrophobicContact CB-CG 4.12Å; P516-W518 HydrophobicContact CB-CH2 4.47Å; P516-W518 HydrophobicContact CB-CZ2 3.73Å; P516-W518 VanDerWaalsContact CB-NE1 3.3Å; P516-W518 HydrophobicContact CG-CH2 4.12Å; P516-W518 HydrophobicContact CG-CZ2 3.57Å; P516-W518 PolarHBondContact O-N 3.46Å; P516-F519 WeakPolarHBondContact O-CB 3.43Å; P516-F519 PolarHBondContact O-N 3.32Å; P516-W794 VanDerWaalsContact CD-CH2 3.46Å; P516-W794 VanDerWaalsContact CD-CZ3 3.49Å; P516-W794 HydrophobicContact CG-CD2 4.34Å; P516-W794 HydrophobicContact CG-CE3 3.8Å; P516-W794 HydrophobicContact CG-CH2 4.03Å; P516-W794 HydrophobicContact CG-CZ3 3.62Å; P516-W796 HydrophobicContact CG-CH2 3.61Å; P516-W796 HydrophobicContact CG-CZ2 4.08Å
517	D	90.2	Very high	91.1	Very high	87 Å²	87	48.2 Å²	48.2	47%	0.465	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.9	-177.1	-56.4	-33.9	0	0	0	114.4	L507 S510 F519	L507-D517 HydrophobicContact CD2-CB 3.75Å; S510-D517 WeakPolarHBondContact CB-OD2 3.33Å; S510-D517 PolarHBondContact OG-OD2 3.12Å; D517-F519 VanDerWaalsContact C-N 3.32Å
518	W	92.1	Very high	91.9	Very high	26 Å²	26	48.1 Å²	48.1	10%	0.098	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.6	172.6	54.9	-105	0	0	0	114.2	R460 Y496 P516 D520 I521 V522 Y720 W794 W796	R460-W518 VanDerWaalsContact NH1-CZ2 3.29Å; Y496-W518 HydrophobicContact CD1-CB 3.99Å; Y496-W518 HydrophobicContact CD1-CG 4.18Å; Y496-W518 HydrophobicContact CD2-CB 4.4Å; Y496-W518 HydrophobicContact CE1-CB 3.54Å; Y496-W518 AromaticContact CE1-CD1 3.84Å; Y496-W518 HydrophobicContact CE1-CD2 4.5Å; Y496-W518 AromaticContact CE1-CG 3.68Å; Y496-W518 HydrophobicContact CE1-CG 3.68Å; Y496-W518 HydrophobicContact CE2-CB 3.97Å; Y496-W518 HydrophobicContact CG-CB 4.41Å; P516-W518 HydrophobicContact CB-CD2 3.87Å; P516-W518 HydrophobicContact CB-CG 4.12Å; P516-W518 HydrophobicContact CB-CH2 4.47Å; P516-W518 HydrophobicContact CB-CZ2 3.73Å; P516-W518 VanDerWaalsContact CB-NE1 3.3Å; P516-W518 HydrophobicContact CG-CH2 4.12Å; P516-W518 HydrophobicContact CG-CZ2 3.57Å; P516-W518 PolarHBondContact O-N 3.46Å; W518-D520 PolarHBondContact O-N 2.99Å; W518-I521 WeakPolarHBondContact O-CB 3.36Å; W518-I521 PolarHBondContact O-N 2.9Å; W518-I521 VanDerWaalsContact O-N 3.13Å; W518-V522 HydrophobicContact CD2-CG2 4.34Å; W518-V522 HydrophobicContact CE3-CB 3.92Å; W518-V522 HydrophobicContact CE3-CG2 3.44Å; W518-V522 VanDerWaalsContact CE3-CG2 3.44Å; W518-V522 HydrophobicContact CZ3-CB 4.15Å; W518-V522 HydrophobicContact CZ3-CG1 4.4Å; W518-V522 HydrophobicContact CZ3-CG2 3.95Å; W518-V522 PolarHBondContact O-N 3.24Å; W518-Y720 AromaticContact CD2-CD2 3.69Å; W518-Y720 HydrophobicContact CD2-CD2 3.69Å; W518-Y720 AromaticContact CD2-CE2 3.88Å; W518-Y720 HydrophobicContact CD2-CE2 3.88Å; W518-Y720 AromaticContact CE2-CD2 3.66Å; W518-Y720 AromaticContact CE2-CE2 3.47Å; W518-Y720 VanDerWaalsContact CE2-CE2 3.47Å; W518-Y720 AromaticContact CE3-CD2 3.8Å; W518-Y720 HydrophobicContact CE3-CD2 3.8Å; W518-Y720 HydrophobicContact CE3-CE2 4.43Å; W518-Y720 HydrophobicContact CG-CD2 4.37Å; W518-Y720 HydrophobicContact CG-CE2 4.32Å; W518-Y720 AromaticContact CH2-CD2 3.92Å; W518-Y720 HydrophobicContact CH2-CD2 3.92Å; W518-Y720 HydrophobicContact CH2-CE2 4.34Å; W518-Y720 AromaticContact CZ2-CD2 3.78Å; W518-Y720 HydrophobicContact CZ2-CD2 3.78Å; W518-Y720 AromaticContact CZ2-CE2 3.73Å; W518-Y720 HydrophobicContact CZ2-CE2 3.73Å; W518-Y720 AromaticContact CZ3-CD2 3.92Å; W518-Y720 HydrophobicContact CZ3-CD2 3.92Å; W518-Y720 AromaticContact NE1-CE2 3.68Å; W518-W794 HydrophobicContact CH2-CH2 4.02Å; W518-W794 AromaticContact CH2-CZ3 3.71Å; W518-W794 HydrophobicContact CH2-CZ3 3.71Å; W518-W794 HydrophobicContact CZ2-CZ3 4.27Å; W518-W794 HydrophobicContact CZ3-CH2 4.33Å; W518-W794 HydrophobicContact CZ3-CZ3 4.46Å; W518-W796 HydrophobicContact CZ2-CH2 4.31Å; W518-W796 HydrophobicContact CZ2-CZ3 4.37Å
519	F	94.9	Very high	92.9	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-50.8	-57	-174.4	178.2	-95.5	0	0	0	113.2	K515 P516 D517 I521 V522 G523 T789 W794 Y816 Y818	K515-F519 HydrophobicContact CD-CG 4.47Å; K515-F519 HydrophobicContact CG-CB 4.14Å; K515-F519 HydrophobicContact CG-CD2 4.37Å; K515-F519 HydrophobicContact CG-CG 4.19Å; P516-F519 WeakPolarHBondContact O-CB 3.43Å; P516-F519 PolarHBondContact O-N 3.32Å; D517-F519 VanDerWaalsContact C-N 3.32Å; F519-I521 PolarHBondContact O-N 2.85Å; F519-V522 PolarHBondContact O-N 3.22Å; F519-G523 PolarHBondContact O-N 3.11Å; F519-T789 HydrophobicContact CE2-CG2 4.11Å; F519-T789 HydrophobicContact CZ-CG2 4.18Å; F519-W794 AromaticContact CD2-CH2 3.85Å; F519-W794 HydrophobicContact CD2-CH2 3.85Å; F519-W794 AromaticContact CD2-CZ2 3.54Å; F519-W794 HydrophobicContact CD2-CZ2 3.54Å; F519-W794 HydrophobicContact CE2-CH2 4.38Å; F519-W794 AromaticContact CE2-CZ2 3.83Å; F519-W794 HydrophobicContact CE2-CZ2 3.83Å; F519-Y816 AromaticContact CE2-CD1 3.52Å; F519-Y816 HydrophobicContact CE2-CD1 3.52Å; F519-Y816 HydrophobicContact CE2-CD2 4.16Å; F519-Y816 AromaticContact CE2-CE1 3.87Å; F519-Y816 HydrophobicContact CE2-CE1 3.87Å; F519-Y816 HydrophobicContact CE2-CE2 4.46Å; F519-Y816 AromaticContact CE2-CG 3.67Å; F519-Y816 HydrophobicContact CE2-CG 3.67Å; F519-Y816 AromaticContact CZ-CD1 3.69Å; F519-Y816 HydrophobicContact CZ-CD1 3.69Å; F519-Y816 AromaticContact CZ-CE1 3.53Å; F519-Y816 HydrophobicContact CZ-CE1 3.53Å; F519-Y816 HydrophobicContact CZ-CE2 4.42Å; F519-Y816 HydrophobicContact CZ-CG 4.2Å; F519-Y816 AromaticContact CZ-CZ 3.91Å; F519-Y818 HydrophobicContact CD1-CE1 4.26Å; F519-Y818 AromaticContact CD2-CE1 3.95Å; F519-Y818 HydrophobicContact CD2-CE1 3.95Å; F519-Y818 AromaticContact CE1-CE1 3.96Å; F519-Y818 HydrophobicContact CE1-CE1 3.96Å; F519-Y818 AromaticContact CE2-CE1 3.64Å; F519-Y818 HydrophobicContact CE2-CE1 3.64Å; F519-Y818 HydrophobicContact CG-CE1 4.28Å; F519-Y818 HydrophobicContact CZ-CD1 4.23Å; F519-Y818 AromaticContact CZ-CE1 3.66Å; F519-Y818 HydrophobicContact CZ-CE1 3.66Å; F519-Y818 PolarHBondContact O-OH 3.28Å; F519-Y818 VanDerWaalsContact O-OH 3.1Å
520	D	95.1	Very high	93.7	Very high	100 Å²	100	38.6 Å²	38.6	54%	0.535	20%	0.197	S	C	.	.	H	α-helix	trans	-66.6	-27.4	-177.3	-55.7	-52.7	0	0	0	112.7	W518 G523 A524	W518-D520 PolarHBondContact O-N 2.99Å; D520-G523 PolarHBondContact O-N 3.49Å; D520-A524 WeakPolarHBondContact O-CB 3.31Å; D520-A524 PolarHBondContact O-N 3.32Å
521	I	95.9	Very high	94.4	Very high	7 Å²	7	43 Å²	43	4%	0.036	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-50.1	176.3	-54.9	177.4	0	0	0	109.2	Y496 F497 V498 K502 L507 W518 F519 G523 A524 E525	Y496-I521 HydrophobicContact CD2-CD1 4.4Å; Y496-I521 HydrophobicContact CD2-CG2 3.96Å; Y496-I521 HydrophobicContact CE2-CD1 4.22Å; F497-I521 WeakPolarHBondContact O-CG2 3.29Å; V498-I521 HydrophobicContact CG2-CD1 4.4Å; K502-I521 HydrophobicContact CD-CD1 3.94Å; K502-I521 HydrophobicContact CD-CG1 4.34Å; L507-I521 HydrophobicContact CD1-CD1 3.93Å; L507-I521 HydrophobicContact CD2-CD1 4.45Å; W518-I521 WeakPolarHBondContact O-CB 3.36Å; W518-I521 PolarHBondContact O-N 2.9Å; W518-I521 VanDerWaalsContact O-N 3.13Å; F519-I521 PolarHBondContact O-N 2.85Å; I521-G523 VanDerWaalsContact C-N 3.32Å; I521-G523 PolarHBondContact O-N 3.05Å; I521-A524 PolarHBondContact O-N 2.88Å; I521-E525 PolarHBondContact O-N 2.91Å
522	V	96.7	Very high	95	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-67.6	-33.2	176.9	174.2	0	0	0	0	111.6	Y496 W518 F519 E525 V526 Y720 A721 Y818	Y496-V522 HydrophobicContact CD1-CG2 4.4Å; Y496-V522 HydrophobicContact CG-CG2 4.31Å; W518-V522 HydrophobicContact CD2-CG2 4.34Å; W518-V522 HydrophobicContact CE3-CB 3.92Å; W518-V522 HydrophobicContact CE3-CG2 3.44Å; W518-V522 VanDerWaalsContact CE3-CG2 3.44Å; W518-V522 HydrophobicContact CZ3-CB 4.15Å; W518-V522 HydrophobicContact CZ3-CG1 4.4Å; W518-V522 HydrophobicContact CZ3-CG2 3.95Å; W518-V522 PolarHBondContact O-N 3.24Å; F519-V522 PolarHBondContact O-N 3.22Å; V522-E525 PolarHBondContact O-N 3.29Å; V522-V526 HydrophobicContact CG1-CG2 4.29Å; V522-V526 WeakPolarHBondContact O-CB 3.39Å; V522-V526 VanDerWaalsContact O-CG2 3.3Å; V522-V526 WeakPolarHBondContact O-CG2 3.35Å; V522-V526 PolarHBondContact O-N 2.88Å; V522-Y720 HydrophobicContact CG2-CD2 4.19Å; V522-Y720 HydrophobicContact CG2-CG 4.46Å; V522-A721 HydrophobicContact CG1-CB 4.37Å; V522-Y818 HydrophobicContact CG1-CE2 3.98Å
523	G	97.6	Very high	95.3	Very high	13 Å²	13	36 Å²	36	13%	0.134	18%	0.184	C	C	.	.	H	α-helix	trans	-60.6	-43.4	171.6	0	0	0	0	0	112.5	F519 D520 I521 V526 K527 Y818	F519-G523 PolarHBondContact O-N 3.11Å; D520-G523 PolarHBondContact O-N 3.49Å; I521-G523 VanDerWaalsContact C-N 3.32Å; I521-G523 PolarHBondContact O-N 3.05Å; G523-V526 PolarHBondContact O-N 3.42Å; G523-K527 WeakPolarHBondContact O-CB 3.16Å; G523-K527 PolarHBondContact O-N 2.89Å; G523-Y818 VanDerWaalsContact CA-CE1 3.4Å
524	A	97.3	Very high	95.5	Very high	49 Å²	49	35.8 Å²	35.8	41%	0.405	18%	0.183	S	C	.	.	H	α-helix	trans	-65.3	-38.2	175.2	0	0	0	0	0	112.8	D520 I521 C528	D520-A524 WeakPolarHBondContact O-CB 3.31Å; D520-A524 PolarHBondContact O-N 3.32Å; I521-A524 PolarHBondContact O-N 2.88Å; A524-C528 WeakPolarHBondContact O-CB 3.13Å; A524-C528 PolarHBondContact O-N 3.07Å
525	E	97.8	Very high	95.7	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.056	17%	0.17	C	C	.	.	H	α-helix	trans	-62.3	-52.1	171.5	-71	179.6	-172.8	0	0	111.5	Y496 F497 I521 V522 K527 C528 C529 A717 G718 A721	Y496-E525 WeakPolarHBondContact CA-OE1 3.5Å; Y496-E525 WeakPolarHBondContact CB-OE1 3.35Å; F497-E525 PolarHBondContact N-OE1 2.9Å; I521-E525 PolarHBondContact O-N 2.91Å; V522-E525 PolarHBondContact O-N 3.29Å; E525-K527 VanDerWaalsContact C-N 3.28Å; E525-K527 PolarHBondContact O-N 3.29Å; E525-C528 WeakPolarHBondContact O-CB 3.48Å; E525-C528 PolarHBondContact O-N 3.1Å; E525-C528 VanDerWaalsContact O-N 3.08Å; E525-C529 PolarHBondContact O-N 2.94Å; E525-C529 PolarHBondContact O-SG 3.42Å; E525-A717 HydrophobicContact CB-CB 3.98Å; E525-A717 HydrophobicContact CG-CB 4.16Å; E525-G718 PolarHBondContact OE2-N 3.37Å; E525-A721 HydrophobicContact CB-CB 3.76Å; E525-A721 WeakPolarHBondContact OE2-CB 3.45Å
526	V	97.5	Very high	95.9	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-39.8	179.7	169.5	0	0	0	0	111.7	V522 G523 C529 K530 A721 L725 Y818	V522-V526 HydrophobicContact CG1-CG2 4.29Å; V522-V526 WeakPolarHBondContact O-CB 3.39Å; V522-V526 VanDerWaalsContact O-CG2 3.3Å; V522-V526 WeakPolarHBondContact O-CG2 3.35Å; V522-V526 PolarHBondContact O-N 2.88Å; G523-V526 PolarHBondContact O-N 3.42Å; V526-C529 WeakPolarHBondContact O-CB 3.48Å; V526-C529 PolarHBondContact O-N 3.06Å; V526-K530 HydrophobicContact CG1-CD 4.27Å; V526-K530 WeakPolarHBondContact O-CG 3.32Å; V526-K530 PolarHBondContact O-N 2.88Å; V526-A721 HydrophobicContact CG2-CB 3.74Å; V526-L725 HydrophobicContact CG1-CD2 3.97Å; V526-L725 HydrophobicContact CG1-CG 4.46Å; V526-L725 HydrophobicContact CG2-CG 4.49Å; V526-Y818 HydrophobicContact CB-CD2 3.91Å; V526-Y818 HydrophobicContact CB-CE2 4.49Å; V526-Y818 HydrophobicContact CG1-CD2 3.95Å; V526-Y818 HydrophobicContact CG1-CG 4.47Å; V526-Y818 HydrophobicContact CG2-CD2 3.86Å; V526-Y818 HydrophobicContact CG2-CE2 4.05Å
527	K	96.9	Very high	96.2	Very high	116 Å²	116	30.7 Å²	30.7	50%	0.504	16%	0.163	S	C	.	.	H	α-helix	trans	-61.9	-47.5	173.8	-175.4	173	-179	171.7	0	111.5	G523 E525 C529 K530 E531	G523-K527 WeakPolarHBondContact O-CB 3.16Å; G523-K527 PolarHBondContact O-N 2.89Å; E525-K527 VanDerWaalsContact C-N 3.28Å; E525-K527 PolarHBondContact O-N 3.29Å; K527-C529 VanDerWaalsContact C-N 3.33Å; K527-C529 PolarHBondContact O-N 2.94Å; K527-K530 PolarHBondContact O-N 3.23Å; K527-E531 WeakPolarHBondContact CE-OE1 3.34Å; K527-E531 WeakPolarHBondContact CE-OE2 3.36Å; K527-E531 HydrophobicContact CG-CG 4.34Å; K527-E531 IonicContact NZ-OE2 3.43Å; K527-E531 PolarHBondContact O-N 3.5Å
528	C	96.6	Very high	96.5	Very high	14 Å²	14	26.5 Å²	26.5	10%	0.095	14%	0.141	C	C	.	.	H	α-helix	trans	-60.6	-40.4	177.6	-163.8	0	0	0	0	112.2	A524 E525 K530 A532 C534	A524-C528 WeakPolarHBondContact O-CB 3.13Å; A524-C528 PolarHBondContact O-N 3.07Å; E525-C528 WeakPolarHBondContact O-CB 3.48Å; E525-C528 PolarHBondContact O-N 3.1Å; E525-C528 VanDerWaalsContact O-N 3.08Å; C528-K530 PolarHBondContact O-N 3.12Å; C528-A532 CarbonylContact O-C 3.56Å; C528-A532 WeakPolarHBondContact O-CA 3.37Å; C528-A532 PolarHBondContact O-N 3.42Å; C528-C534 VanDerWaalsContact CB-SG 3.53Å; C528-C534 PolarHBondContact SG-SG 3.34Å
529	C	96	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-20.9	174.1	-62.4	0	0	0	0	114.3	E525 V526 K527 C534 I639 G640 L725	E525-C529 PolarHBondContact O-N 2.94Å; E525-C529 PolarHBondContact O-SG 3.42Å; V526-C529 WeakPolarHBondContact O-CB 3.48Å; V526-C529 PolarHBondContact O-N 3.06Å; K527-C529 VanDerWaalsContact C-N 3.33Å; K527-C529 PolarHBondContact O-N 2.94Å; C529-C534 VanDerWaalsContact SG-SG 3.66Å; C529-I639 HydrophobicContact CB-CD1 3.92Å; C529-I639 HydrophobicContact CB-CG1 4.3Å; C529-I639 WeakPolarHBondContact SG-CD1 3.33Å; C529-G640 WeakPolarHBondContact O-CA 3.43Å; C529-L725 HydrophobicContact CB-CD1 3.73Å
530	K	94.4	Very high	96.7	Very high	40 Å²	40	24.9 Å²	24.9	17%	0.174	14%	0.135	C	C	.	.	H	α-helix	trans	-102.4	-31.7	-178.2	-73.2	171.3	178.6	-74.7	0	113.6	V526 K527 C528 P641 E686 L725 E728 T819	V526-K530 HydrophobicContact CG1-CD 4.27Å; V526-K530 WeakPolarHBondContact O-CG 3.32Å; V526-K530 PolarHBondContact O-N 2.88Å; K527-K530 PolarHBondContact O-N 3.23Å; C528-K530 PolarHBondContact O-N 3.12Å; K530-P641 VanDerWaalsContact O-CD 3.23Å; K530-P641 WeakPolarHBondContact O-CD 3.33Å; K530-P641 WeakPolarHBondContact O-CG 3.44Å; K530-E686 HydrophobicContact CG-CG 4.46Å; K530-E686 IonicContact NZ-OE1 3.97Å; K530-E686 PolarHBondContact NZ-OE1 2.87Å; K530-L725 HydrophobicContact CD-CD2 4.41Å; K530-L725 VanDerWaalsContact CE-CD2 3.49Å; K530-L725 HydrophobicContact CG-CD2 4.26Å; K530-E728 IonicContact NZ-OE1 3.62Å; K530-E728 PolarHBondContact NZ-OE1 3.29Å; K530-E728 IonicContact NZ-OE2 2.79Å; K530-T819 WeakPolarHBondContact CE-OG1 3.41Å; K530-T819 PolarHBondContact NZ-OG1 3.14Å
531	E	95.3	Very high	96.7	Very high	127 Å²	127	20.2 Å²	20.2	59%	0.593	11%	0.11	S	C	*	.	H	α-helix	trans	-105.3	-23.4	-172.8	-65.3	178.6	-175.5	0	0	113.7	K527	K527-E531 WeakPolarHBondContact CE-OE1 3.34Å; K527-E531 WeakPolarHBondContact CE-OE2 3.36Å; K527-E531 HydrophobicContact CG-CG 4.34Å; K527-E531 IonicContact NZ-OE2 3.43Å; K527-E531 PolarHBondContact O-N 3.5Å
532	A	96.5	Very high	96.7	Very high	18 Å²	18	19.9 Å²	19.9	15%	0.149	11%	0.109	C	C	.	.	S	Bend	trans	-131.6	-120.6	-171.9	0	0	0	0	0	111.1	C528 G640 P641 R642	C528-A532 CarbonylContact O-C 3.56Å; C528-A532 WeakPolarHBondContact O-CA 3.37Å; C528-A532 PolarHBondContact O-N 3.42Å; A532-G640 CarbonylContact O-C 3.58Å; A532-P641 WeakPolarHBondContact O-CD 3.38Å; A532-R642 PolarHBondContact O-N 2.79Å
533	V	97.7	Very high	96.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.			trans	-149.4	144.1	172.7	51.2	0	0	0	0	109.9	L638 I639 R642 A643 V646 I714 R715	V533-L638 HydrophobicContact CG2-CD1 3.5Å; V533-L638 VanDerWaalsContact CG2-CD1 3.5Å; V533-L638 HydrophobicContact CG2-CG 4.08Å; V533-I639 CarbonylContact C-O 3.44Å; V533-I639 VanDerWaalsContact CA-O 3.22Å; V533-I639 WeakPolarHBondContact CA-O 3.32Å; V533-R642 HydrophobicContact CB-CB 4.05Å; V533-R642 HydrophobicContact CG1-CB 4Å; V533-A643 HydrophobicContact CG2-CB 4.16Å; V533-V646 HydrophobicContact CG1-CG2 4.13Å; V533-V646 HydrophobicContact CG2-CG2 4.42Å; V533-I714 HydrophobicContact CG1-CB 3.83Å; V533-I714 HydrophobicContact CG1-CD1 4.27Å; V533-I714 HydrophobicContact CG1-CG1 3.92Å; V533-I714 HydrophobicContact CG2-CD1 4.1Å; V533-I714 HydrophobicContact CG2-CG1 4.21Å; V533-I714 WeakPolarHBondContact O-CA 3.32Å; V533-R715 PolarHBondContact O-N 2.86Å
534	C	97.8	Very high	96.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	155.4	176	-74.4	0	0	0	0	112.5	C528 C529 L638 I639 R715 A717	C528-C534 VanDerWaalsContact CB-SG 3.53Å; C528-C534 PolarHBondContact SG-SG 3.34Å; C529-C534 VanDerWaalsContact SG-SG 3.66Å; C534-L638 CarbonylContact O-C 3.48Å; C534-L638 WeakPolarHBondContact O-CA 3.42Å; C534-I639 HydrophobicContact CB-CD1 4.35Å; C534-I639 HydrophobicContact CB-CG1 3.87Å; C534-I639 PolarHBondContact N-O 2.91Å; C534-I639 PolarHBondContact O-N 3.16Å; C534-R715 CarbonylContact C-O 3.59Å; C534-R715 WeakPolarHBondContact CA-O 3.28Å; C534-R715 WeakPolarHBondContact CB-O 3.37Å; C534-A717 HydrophobicContact CB-CB 3.99Å
535	V	98.1	Very high	96.9	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.018	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.5	167.5	-176.6	0	0	0	0	109	L636 N637 L638 Y702 V705 M706 I714 R715 N716 A717	V535-L636 HydrophobicContact CG1-CB 4.14Å; V535-L636 HydrophobicContact CG1-CD1 4.32Å; V535-L636 HydrophobicContact CG1-CD2 4.24Å; V535-L636 HydrophobicContact CG1-CG 4.46Å; V535-N637 WeakPolarHBondContact CA-O 3.41Å; V535-L638 HydrophobicContact CG2-CD1 3.84Å; V535-Y702 HydrophobicContact CG1-CD2 4.42Å; V535-Y702 HydrophobicContact CG1-CE2 4.34Å; V535-V705 HydrophobicContact CG2-CG1 3.89Å; V535-M706 HydrophobicContact CB-SD 4.37Å; V535-M706 HydrophobicContact CG2-SD 3.78Å; V535-I714 HydrophobicContact CG2-CD1 3.87Å; V535-I714 HydrophobicContact CG2-CG1 4.3Å; V535-R715 PolarHBondContact N-O 3.46Å; V535-N716 CarbonylContact O-C 3.44Å; V535-N716 WeakPolarHBondContact O-CA 3.4Å; V535-A717 PolarHBondContact O-N 2.97Å
536	I	98	Very high	96.9	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.3	167.6	-50	-170.6	0	0	0	108.5	M538 N637 I639 A717 L722	I536-M538 HydrophobicContact CB-CG 4.31Å; I536-M538 HydrophobicContact CG2-CG 3.92Å; I536-M538 PolarHBondContact O-N 2.97Å; I536-N637 HydrophobicContact CB-CB 4.24Å; I536-N637 PolarHBondContact N-O 3.4Å; I536-N637 PolarHBondContact O-N 3.13Å; I536-I639 HydrophobicContact CD1-CD1 3.6Å; I536-I639 HydrophobicContact CG1-CD1 3.92Å; I536-A717 HydrophobicContact CD1-CB 4.23Å; I536-A717 HydrophobicContact CG1-CB 3.98Å; I536-A717 WeakPolarHBondContact CG1-O 3.47Å; I536-L722 HydrophobicContact CD1-CB 3.95Å
537	D	97.8	Very high	96.9	Very high	11 Å²	11	20 Å²	20	6%	0.059	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	109.3	170.2	-173	-5.7	0	0	0	110.2	S472 L478 P494 S539 L636 Y719	S472-D537 WeakPolarHBondContact CB-OD2 3.24Å; S472-D537 PolarHBondContact OG-OD2 3.2Å; L478-D537 HydrophobicContact CD1-CB 3.9Å; P494-D537 HydrophobicContact CG-CB 4.49Å; D537-S539 WeakPolarHBondContact OD1-CB 3.17Å; D537-S539 PolarHBondContact OD1-N 3.37Å; D537-S539 PolarHBondContact OD1-OG 3.06Å; D537-L636 HydrophobicContact CB-CD2 4.43Å; D537-Y719 VanDerWaalsContact O-CE2 3.26Å; D537-Y719 WeakPolarHBondContact O-CE2 3.39Å
538	M	96	Very high	97	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.			trans	-111.7	18.9	178.6	-62.6	-167.8	62.6	0	0	112.3	I536 S540 F541 A635 N637 H683 M690 Y719 L722	I536-M538 HydrophobicContact CB-CG 4.31Å; I536-M538 HydrophobicContact CG2-CG 3.92Å; I536-M538 PolarHBondContact O-N 2.97Å; M538-S540 PolarHBondContact O-N 3.15Å; M538-F541 HydrophobicContact CB-CD2 4.29Å; M538-F541 HydrophobicContact CE-CD2 3.91Å; M538-F541 HydrophobicContact CE-CE1 3.98Å; M538-F541 HydrophobicContact CE-CE2 3.2Å; M538-F541 HydrophobicContact CE-CZ 3.24Å; M538-F541 WeakPolarHBondContact O-CB 3.47Å; M538-F541 PolarHBondContact O-N 3.5Å; M538-A635 CarbonylContact C-O 3.57Å; M538-A635 WeakPolarHBondContact CA-O 3.17Å; M538-A635 PolarHBondContact N-O 2.77Å; M538-N637 HydrophobicContact CG-CB 4.04Å; M538-N637 HydrophobicContact SD-CB 3.5Å; M538-N637 VanDerWaalsContact SD-CB 3.5Å; M538-N637 PolarHBondContact SD-ND2 3.3Å; M538-N637 VanDerWaalsContact SD-ND2 3.36Å; M538-H683 HydrophobicContact CE-CB 3.94Å; M538-H683 VanDerWaalsContact CE-CD2 3.41Å; M538-H683 WeakPolarHBondContact CE-CD2 3.49Å; M538-H683 HydrophobicContact SD-CB 4.46Å; M538-M690 HydrophobicContact CB-CE 4.19Å; M538-M690 HydrophobicContact SD-SD 4.23Å; M538-Y719 WeakPolarHBondContact CA-OH 3.47Å; M538-L722 HydrophobicContact CE-CD2 3.68Å; M538-L722 HydrophobicContact SD-CD2 3.9Å
539	S	96.9	Very high	96.9	Very high	6 Å²	6	19 Å²	19	4%	0.042	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-21.9	-178.2	-56.7	0	0	0	0	114.2	D537 F541 K543 T634 A635	D537-S539 WeakPolarHBondContact OD1-CB 3.17Å; D537-S539 PolarHBondContact OD1-N 3.37Å; D537-S539 PolarHBondContact OD1-OG 3.06Å; S539-F541 PolarHBondContact O-N 2.89Å; S539-K543 PolarHBondContact O-NZ 2.9Å; S539-T634 WeakPolarHBondContact OG-CA 3.5Å; S539-T634 VanDerWaalsContact OG-CG2 3.29Å; S539-T634 WeakPolarHBondContact OG-CG2 3.39Å; S539-A635 PolarHBondContact N-O 2.95Å; S539-A635 PolarHBondContact OG-N 3.32Å
540	S	95.3	Very high	96.7	Very high	3 Å²	3	20 Å²	20	2%	0.021	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-12.4	175.5	72.9	0	0	0	0	114.6	R493 M538 T604 Y719	R493-S540 WeakPolarHBondContact CD-OG 3.26Å; M538-S540 PolarHBondContact O-N 3.15Å; S540-T604 WeakPolarHBondContact CB-OG1 3.13Å; S540-T604 WeakPolarHBondContact O-CB 3.19Å; S540-T604 VanDerWaalsContact O-CG2 3.32Å; S540-T604 WeakPolarHBondContact O-CG2 3.38Å; S540-T604 PolarHBondContact O-OG1 3.27Å; S540-T604 PolarHBondContact OG-OG1 3.01Å; S540-Y719 PolarHBondContact OG-OH 3.42Å
541	F	95.4	Very high	96.7	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.013	12%	0.124	C	C	.	.	S	Bend	trans	-62.6	145.3	179.6	-89.6	-126.2	0	0	0	111	M538 S539 K543 I601 S602 H683 Y719 F733	M538-F541 HydrophobicContact CB-CD2 4.29Å; M538-F541 HydrophobicContact CE-CD2 3.91Å; M538-F541 HydrophobicContact CE-CE1 3.98Å; M538-F541 HydrophobicContact CE-CE2 3.2Å; M538-F541 HydrophobicContact CE-CZ 3.24Å; M538-F541 WeakPolarHBondContact O-CB 3.47Å; M538-F541 PolarHBondContact O-N 3.5Å; S539-F541 PolarHBondContact O-N 2.89Å; F541-K543 WeakPolarHBondContact O-CG 3.45Å; F541-K543 PolarHBondContact O-NZ 3.47Å; F541-I601 HydrophobicContact CD1-CG2 4.04Å; F541-S602 WeakPolarHBondContact CD1-O 3.48Å; F541-H683 AromaticContact CE1-CE1 3.97Å; F541-H683 AromaticContact CE1-NE2 3.88Å; F541-Y719 HydrophobicContact CE2-CE1 4.4Å; F541-F733 HydrophobicContact CZ-CE2 4.19Å; F541-F733 AromaticContact CZ-CZ 3.91Å; F541-F733 HydrophobicContact CZ-CZ 3.91Å
542	T	96.1	Very high	96.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	136.6	175.6	-62.2	0	0	0	0	109.7	F544 I601 S602 P603 Q607	T542-F544 HydrophobicContact CG2-CD2 3.99Å; T542-F544 HydrophobicContact CG2-CE1 4.24Å; T542-F544 HydrophobicContact CG2-CE2 3.25Å; T542-F544 HydrophobicContact CG2-CZ 3.38Å; T542-I601 WeakPolarHBondContact O-CA 3.4Å; T542-S602 WeakPolarHBondContact CB-O 3.38Å; T542-S602 PolarHBondContact N-O 2.82Å; T542-S602 PolarHBondContact O-N 3.47Å; T542-P603 PolarHBondContact OG1-O 2.9Å; T542-Q607 HydrophobicContact CG2-CB 4.24Å; T542-Q607 HydrophobicContact CG2-CG 4.16Å; T542-Q607 WeakPolarHBondContact OG1-CA 3.14Å; T542-Q607 WeakPolarHBondContact OG1-CB 3.48Å; T542-Q607 PolarHBondContact OG1-N 2.98Å
543	K	97.6	Very high	96.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	119.8	-176	-44.2	170.9	-161.8	71.5	0	108.7	S539 F541 F599 I600 V629 S630 Y633 Y692	S539-K543 PolarHBondContact O-NZ 2.9Å; F541-K543 WeakPolarHBondContact O-CG 3.45Å; F541-K543 PolarHBondContact O-NZ 3.47Å; K543-F599 HydrophobicContact CB-CE2 3.97Å; K543-F599 HydrophobicContact CB-CZ 3.83Å; K543-F599 HydrophobicContact CD-CZ 4.14Å; K543-F599 HydrophobicContact CG-CZ 4.16Å; K543-I600 CarbonylContact C-O 3.49Å; K543-I600 WeakPolarHBondContact CA-O 3.29Å; K543-V629 HydrophobicContact CB-CG2 3.94Å; K543-V629 CarbonylContact O-C 3.41Å; K543-V629 WeakPolarHBondContact O-CG2 3.11Å; K543-V629 PolarHBondContact O-N 2.81Å; K543-S630 PolarHBondContact N-OG 3.46Å; K543-S630 PolarHBondContact NZ-O 3.17Å; K543-S630 PolarHBondContact O-N 3.34Å; K543-S630 PolarHBondContact O-OG 3.46Å; K543-Y633 HydrophobicContact CD-CD2 4.33Å; K543-Y633 VanDerWaalsContact CE-O 3.26Å; K543-Y633 WeakPolarHBondContact CE-O 3.39Å; K543-Y633 PolarHBondContact NZ-O 3.32Å; K543-Y692 HydrophobicContact CD-CD1 3.9Å; K543-Y692 HydrophobicContact CD-CE1 3.9Å; K543-Y692 HydrophobicContact CG-CE1 4.21Å
544	F	98.4	Very high	96.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.9	171.8	-55.6	-70.4	0	0	0	111.2	T542 F599 I600 Q607 C610 W611 I614 L626 E627 D628	T542-F544 HydrophobicContact CG2-CD2 3.99Å; T542-F544 HydrophobicContact CG2-CE1 4.24Å; T542-F544 HydrophobicContact CG2-CE2 3.25Å; T542-F544 HydrophobicContact CG2-CZ 3.38Å; F544-F599 CarbonylContact O-C 3.32Å; F544-F599 WeakPolarHBondContact O-CA 3.37Å; F544-I600 HydrophobicContact CB-CB 4.25Å; F544-I600 HydrophobicContact CD2-CB 4.47Å; F544-I600 PolarHBondContact N-O 2.84Å; F544-I600 PolarHBondContact O-N 2.89Å; F544-Q607 WeakPolarHBondContact CZ-O 3.38Å; F544-C610 HydrophobicContact CE2-CB 3.98Å; F544-W611 HydrophobicContact CE1-CB 4Å; F544-W611 AromaticContact CE1-CD1 3.95Å; F544-W611 HydrophobicContact CE1-CG 4.4Å; F544-W611 HydrophobicContact CZ-CB 3.84Å; F544-I614 HydrophobicContact CD2-CD1 4.36Å; F544-L626 HydrophobicContact CB-CD1 3.83Å; F544-L626 HydrophobicContact CD1-CD1 4.44Å; F544-L626 HydrophobicContact CG-CD1 4.2Å; F544-E627 VanDerWaalsContact CA-O 3.24Å; F544-E627 WeakPolarHBondContact CA-O 3.17Å; F544-D628 HydrophobicContact CD1-CB 3.98Å; F544-D628 HydrophobicContact CE1-CB 3.83Å
545	E	98.2	Very high	96.7	Very high	29 Å²	29	22.4 Å²	22.4	14%	0.136	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.5	162.7	-78.1	173.7	-177	0	0	108.4	F598 F599 L626 E627 V629 Y633 R677	E545-F598 WeakPolarHBondContact CA-O 3.47Å; E545-F599 HydrophobicContact CG-CD2 3.73Å; E545-F599 HydrophobicContact CG-CE2 4.33Å; E545-L626 WeakPolarHBondContact O-CA 3.47Å; E545-E627 PolarHBondContact N-O 2.87Å; E545-E627 PolarHBondContact O-N 3.07Å; E545-V629 HydrophobicContact CB-CG1 4.2Å; E545-V629 HydrophobicContact CB-CG2 4.47Å; E545-V629 HydrophobicContact CG-CG1 4.19Å; E545-V629 HydrophobicContact CG-CG2 3.88Å; E545-Y633 PolarHBondContact OE1-OH 3.05Å; E545-R677 IonicContact OE1-CZ 3.64Å; E545-R677 VanDerWaalsContact OE1-CZ 3.25Å; E545-R677 IonicContact OE1-NH1 2.7Å; E545-R677 PolarHBondContact OE1-NH1 2.71Å; E545-R677 IonicContact OE1-NH2 2.77Å; E545-R677 PolarHBondContact OE1-NH2 2.97Å
546	L	98.4	Very high	96.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120	172.3	-174.1	76.3	0	0	0	108.3	A553 L556 L557 F598 I600 L624 H625 L626	L546-A553 HydrophobicContact CD2-CB 3.83Å; L546-A553 HydrophobicContact CG-CB 3.9Å; L546-L556 HydrophobicContact CD2-CD2 4.4Å; L546-L557 HydrophobicContact CD2-CD1 3.68Å; L546-L557 HydrophobicContact CD2-CD2 4.01Å; L546-L557 HydrophobicContact CD2-CG 3.56Å; L546-F598 PolarHBondContact N-O 3.39Å; L546-F598 PolarHBondContact O-N 2.94Å; L546-I600 HydrophobicContact CB-CD1 4.34Å; L546-L624 HydrophobicContact CD1-CD1 3.97Å; L546-L624 HydrophobicContact CD1-CG 4.37Å; L546-L624 HydrophobicContact CG-CD1 4.2Å; L546-H625 CarbonylContact C-O 3.54Å; L546-H625 WeakPolarHBondContact CA-O 3.42Å; L546-L626 HydrophobicContact CB-CD1 4.36Å; L546-L626 HydrophobicContact CD1-CB 3.91Å; L546-L626 HydrophobicContact CD1-CD1 4.02Å
547	T	98.1	Very high	96.7	Very high	48 Å²	48	22.9 Å²	22.9	29%	0.294	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.5	-175.2	58.7	0	0	0	0	111.6	N596 H625	T547-N596 WeakPolarHBondContact CA-O 3.09Å; T547-H625 PolarHBondContact N-O 2.65Å; T547-H625 PolarHBondContact O-N 3.5Å
548	S	97.6	Very high	96.7	Very high	15 Å²	15	23.1 Å²	23.1	11%	0.105	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	159.3	173.5	53.8	0	0	0	0	114.1	G550 A553 N596 H623	S548-G550 PolarHBondContact OG-O 2.93Å; S548-A553 WeakPolarHBondContact OG-CB 3.41Å; S548-A553 PolarHBondContact OG-N 3.42Å; S548-N596 PolarHBondContact N-O 3.44Å; S548-N596 WeakPolarHBondContact O-CB 3.25Å; S548-N596 PolarHBondContact O-ND2 2.74Å; S548-H623 WeakPolarHBondContact CA-O 3.11Å
549	T	94.5	Very high	96.7	Very high	95 Å²	95	27.5 Å²	27.5	58%	0.583	15%	0.147	S	C	*	.	S	Bend	trans	-72.4	-33	173.8	61.6	0	0	0	0	112.5	N596 H623	T549-N596 PolarHBondContact O-ND2 3.29Å; T549-H623 HydrophobicContact CG2-CB 4.02Å; T549-H623 PolarHBondContact N-O 2.62Å; T549-H623 WeakPolarHBondContact OG1-CB 3.4Å
550	G	93.7	Very high	96.8	Very high	22 Å²	22	27.2 Å²	27.2	23%	0.227	15%	0.145	C	C	.	.	S	Bend	trans	-120.2	-147.8	173.2	0	0	0	0	0	112.1	S548 Q552 N596	S548-G550 PolarHBondContact OG-O 2.93Å; G550-Q552 VanDerWaalsContact C-N 3.3Å; G550-Q552 PolarHBondContact O-N 2.79Å; G550-N596 WeakPolarHBondContact O-CB 3.41Å; G550-N596 PolarHBondContact O-ND2 3.06Å; G550-N596 PolarHBondContact O-OD1 3.36Å
551	N	94.3	Very high	96.9	Very high	69 Å²	69	27 Å²	27	37%	0.369	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-3	-175.5	-69.1	-8	0	0	0	114.5	A553 L554 E555	N551-A553 VanDerWaalsContact C-N 3.26Å; N551-A553 PolarHBondContact O-N 2.86Å; N551-A553 VanDerWaalsContact O-N 3.1Å; N551-L554 WeakPolarHBondContact O-CA 3.39Å; N551-L554 WeakPolarHBondContact O-CB 3.41Å; N551-L554 PolarHBondContact O-N 2.91Å; N551-E555 HydrophobicContact CB-CG 4.36Å; N551-E555 VanDerWaalsContact CB-OE1 3.29Å; N551-E555 WeakPolarHBondContact CB-OE1 3.19Å; N551-E555 PolarHBondContact O-N 3.33Å
552	Q	96.3	Very high	97	Very high	38 Å²	38	27 Å²	27	18%	0.178	14%	0.143	C	C	.	.	H	α-helix	trans	-57.2	-33.9	-168.3	-56.2	100.6	-62.1	0	0	114.1	G550 E555 L556 D621 L624	G550-Q552 VanDerWaalsContact C-N 3.3Å; G550-Q552 PolarHBondContact O-N 2.79Å; Q552-E555 PolarHBondContact O-N 3.34Å; Q552-L556 WeakPolarHBondContact O-CB 3.3Å; Q552-L556 PolarHBondContact O-N 3.37Å; Q552-D621 WeakPolarHBondContact CG-OD2 3.32Å; Q552-D621 PolarHBondContact NE2-OD2 3.28Å; Q552-L624 HydrophobicContact CB-CD1 4.29Å; Q552-L624 HydrophobicContact CB-CD2 4.48Å
553	A	97.3	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66	-38.5	174.7	0	0	0	0	0	112.5	L546 S548 N551 L557 F598 L624	L546-A553 HydrophobicContact CD2-CB 3.83Å; L546-A553 HydrophobicContact CG-CB 3.9Å; S548-A553 WeakPolarHBondContact OG-CB 3.41Å; S548-A553 PolarHBondContact OG-N 3.42Å; N551-A553 VanDerWaalsContact C-N 3.26Å; N551-A553 PolarHBondContact O-N 2.86Å; N551-A553 VanDerWaalsContact O-N 3.1Å; A553-L557 WeakPolarHBondContact O-CB 3.39Å; A553-L557 VanDerWaalsContact O-CG 3.22Å; A553-L557 WeakPolarHBondContact O-CG 3.44Å; A553-L557 PolarHBondContact O-N 3.28Å; A553-L557 VanDerWaalsContact O-N 3.16Å; A553-F598 HydrophobicContact CB-CD2 3.88Å; A553-F598 HydrophobicContact CB-CE2 3.99Å; A553-L624 HydrophobicContact CB-CD1 3.77Å
554	L	97.1	Very high	97	Very high	15 Å²	15	30.7 Å²	30.7	8%	0.079	16%	0.163	C	C	.	.	H	α-helix	trans	-68.9	-44.4	174	176.5	66.1	0	0	0	110.6	N551 L557 Q558 L565 D566 F598	N551-L554 WeakPolarHBondContact O-CA 3.39Å; N551-L554 WeakPolarHBondContact O-CB 3.41Å; N551-L554 PolarHBondContact O-N 2.91Å; L554-L557 PolarHBondContact O-N 3.48Å; L554-Q558 HydrophobicContact CD1-CG 3.79Å; L554-Q558 HydrophobicContact CG-CG 4.05Å; L554-Q558 VanDerWaalsContact O-CB 3.31Å; L554-Q558 WeakPolarHBondContact O-CB 3.35Å; L554-Q558 VanDerWaalsContact O-CG 3.22Å; L554-Q558 WeakPolarHBondContact O-CG 3.44Å; L554-Q558 PolarHBondContact O-N 3.44Å; L554-L565 HydrophobicContact CD1-CB 4.2Å; L554-D566 HydrophobicContact CD1-CB 4.2Å; L554-D566 HydrophobicContact CD2-CB 4.16Å; L554-D566 WeakPolarHBondContact CD2-OD1 3.44Å; L554-F598 HydrophobicContact CB-CE2 4.07Å; L554-F598 HydrophobicContact CB-CZ 3.83Å; L554-F598 HydrophobicContact CD1-CE1 4.25Å; L554-F598 HydrophobicContact CD1-CZ 3.8Å; L554-F598 HydrophobicContact CG-CZ 4.39Å
555	E	96.4	Very high	96.9	Very high	113 Å²	113	30.8 Å²	30.8	53%	0.528	16%	0.164	S	C	.	.	H	α-helix	trans	-60.5	-48.4	-179.5	-70	163.5	-166.2	0	0	111.6	N551 Q552 L557 Q558 Y559	N551-E555 HydrophobicContact CB-CG 4.36Å; N551-E555 VanDerWaalsContact CB-OE1 3.29Å; N551-E555 WeakPolarHBondContact CB-OE1 3.19Å; N551-E555 PolarHBondContact O-N 3.33Å; Q552-E555 PolarHBondContact O-N 3.34Å; E555-L557 PolarHBondContact O-N 3.14Å; E555-Q558 PolarHBondContact O-N 2.98Å; E555-Y559 PolarHBondContact O-N 3.27Å
556	L	97.4	Very high	96.8	Very high	13 Å²	13	33.7 Å²	33.7	7%	0.068	18%	0.18	C	C	.	.	H	α-helix	trans	-59.2	-46.2	174.8	175.6	60.2	0	0	0	111.7	L546 Q552 Y559 L560 I614 H617 M618 L624	L546-L556 HydrophobicContact CD2-CD2 4.4Å; Q552-L556 WeakPolarHBondContact O-CB 3.3Å; Q552-L556 PolarHBondContact O-N 3.37Å; L556-Y559 PolarHBondContact O-N 2.85Å; L556-L560 HydrophobicContact CD1-CD1 3.79Å; L556-L560 HydrophobicContact CD1-CG 4.07Å; L556-L560 HydrophobicContact CG-CD1 3.99Å; L556-L560 WeakPolarHBondContact O-CB 3.34Å; L556-L560 WeakPolarHBondContact O-CG 3.36Å; L556-L560 PolarHBondContact O-N 2.96Å; L556-I614 HydrophobicContact CD2-CG2 4.22Å; L556-H617 HydrophobicContact CD1-CB 4.24Å; L556-H617 VanDerWaalsContact CD1-O 3.27Å; L556-H617 WeakPolarHBondContact CD1-O 3.34Å; L556-M618 HydrophobicContact CD2-CB 4.13Å; L556-M618 HydrophobicContact CD2-CG 4.24Å; L556-L624 HydrophobicContact CD2-CD2 3.92Å
557	L	97.7	Very high	96.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-70.8	-33.9	-179	-71.2	176.6	0	0	0	112.5	L546 A553 L554 E555 Y559 L560 C561 L565 M577 V590 F598 I600	L546-L557 HydrophobicContact CD2-CD1 3.68Å; L546-L557 HydrophobicContact CD2-CD2 4.01Å; L546-L557 HydrophobicContact CD2-CG 3.56Å; A553-L557 WeakPolarHBondContact O-CB 3.39Å; A553-L557 VanDerWaalsContact O-CG 3.22Å; A553-L557 WeakPolarHBondContact O-CG 3.44Å; A553-L557 PolarHBondContact O-N 3.28Å; A553-L557 VanDerWaalsContact O-N 3.16Å; L554-L557 PolarHBondContact O-N 3.48Å; E555-L557 PolarHBondContact O-N 3.14Å; L557-Y559 VanDerWaalsContact C-N 3.3Å; L557-Y559 PolarHBondContact O-N 2.82Å; L557-L560 PolarHBondContact O-N 2.76Å; L557-C561 WeakPolarHBondContact O-CB 3.38Å; L557-C561 PolarHBondContact O-N 3.01Å; L557-C561 PolarHBondContact O-SG 3.21Å; L557-L565 HydrophobicContact CB-CD1 3.59Å; L557-M577 HydrophobicContact CD2-CE 4.45Å; L557-V590 HydrophobicContact CD1-CG1 4.21Å; L557-F598 HydrophobicContact CD1-CB 3.69Å; L557-F598 HydrophobicContact CD1-CD1 3.86Å; L557-F598 HydrophobicContact CD1-CD2 3.91Å; L557-F598 HydrophobicContact CD1-CE1 4.48Å; L557-F598 HydrophobicContact CD1-CG 3.54Å; L557-I600 HydrophobicContact CD2-CD1 3.87Å
558	Q	97.4	Very high	96.7	Very high	16 Å²	16	36.9 Å²	36.9	8%	0.075	20%	0.201	C	C	.	.	H	α-helix	trans	-66	-33.5	173.4	-75.3	-75.6	58.4	0	0	112.1	L554 E555 D564 K757 T759	L554-Q558 HydrophobicContact CD1-CG 3.79Å; L554-Q558 HydrophobicContact CG-CG 4.05Å; L554-Q558 VanDerWaalsContact O-CB 3.31Å; L554-Q558 WeakPolarHBondContact O-CB 3.35Å; L554-Q558 VanDerWaalsContact O-CG 3.22Å; L554-Q558 WeakPolarHBondContact O-CG 3.44Å; L554-Q558 PolarHBondContact O-N 3.44Å; E555-Q558 PolarHBondContact O-N 2.98Å; Q558-D564 PolarHBondContact NE2-OD1 3.49Å; Q558-D564 PolarHBondContact OE1-OD1 2.91Å; Q558-K757 VanDerWaalsContact O-CE 3.31Å; Q558-K757 WeakPolarHBondContact O-CE 3.48Å; Q558-K757 PolarHBondContact O-NZ 2.87Å; Q558-T759 HydrophobicContact CB-CG2 4.22Å
559	Y	97.5	Very high	96.6	Very high	92 Å²	92	39.9 Å²	39.9	36%	0.361	22%	0.219	S	C	.	.	H	α-helix	trans	-71.6	-44.5	171.8	175.9	-111.1	0	0	0	112.7	E555 L556 L557 F761 L762	E555-Y559 PolarHBondContact O-N 3.27Å; L556-Y559 PolarHBondContact O-N 2.85Å; L557-Y559 VanDerWaalsContact C-N 3.3Å; L557-Y559 PolarHBondContact O-N 2.82Å; Y559-F761 CarbonylContact O-C 3.49Å; Y559-F761 VanDerWaalsContact O-CA 3.23Å; Y559-F761 WeakPolarHBondContact O-CA 3.47Å; Y559-F761 WeakPolarHBondContact O-CB 3.22Å; Y559-L762 PolarHBondContact O-N 3.32Å
560	L	97.5	Very high	96.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-74.4	-36.6	-176.8	-76.5	177.8	0	0	0	114.2	L556 L557 M577 I614 H617	L556-L560 HydrophobicContact CD1-CD1 3.79Å; L556-L560 HydrophobicContact CD1-CG 4.07Å; L556-L560 HydrophobicContact CG-CD1 3.99Å; L556-L560 WeakPolarHBondContact O-CB 3.34Å; L556-L560 WeakPolarHBondContact O-CG 3.36Å; L556-L560 PolarHBondContact O-N 2.96Å; L557-L560 PolarHBondContact O-N 2.76Å; L560-M577 HydrophobicContact CB-CG 4.45Å; L560-M577 HydrophobicContact CB-SD 4.43Å; L560-M577 HydrophobicContact CD1-SD 4.39Å; L560-M577 VanDerWaalsContact O-CA 3.3Å; L560-M577 WeakPolarHBondContact O-CA 3.23Å; L560-I614 HydrophobicContact CD1-CG1 4.34Å; L560-I614 HydrophobicContact CD1-CG2 4.35Å; L560-H617 HydrophobicContact CD1-CB 4.45Å; L560-H617 HydrophobicContact CD2-CB 3.76Å; L560-H617 HydrophobicContact CG-CB 4.37Å
561	C	97.9	Very high	96.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-95.6	135.4	-170.2	-65.6	0	0	0	0	112.2	L557 N563 L565 T575 G576 K757	L557-C561 WeakPolarHBondContact O-CB 3.38Å; L557-C561 PolarHBondContact O-N 3.01Å; L557-C561 PolarHBondContact O-SG 3.21Å; C561-N563 VanDerWaalsContact C-N 3.32Å; C561-N563 PolarHBondContact O-N 3.13Å; C561-L565 HydrophobicContact CB-CD1 3.63Å; C561-L565 HydrophobicContact CB-CG 4.36Å; C561-T575 HydrophobicContact CB-CG2 3.76Å; C561-T575 WeakPolarHBondContact CB-OG1 3.11Å; C561-G576 WeakPolarHBondContact CA-O 3.47Å; C561-K757 PolarHBondContact O-NZ 3.47Å
562	A	97.6	Very high	97	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.008	18%	0.182	C	C	.	.	S	Bend	trans	-72.2	-21.3	179.9	0	0	0	0	0	114.4	T575 G576 L578 V753 K754 F761	A562-T575 PolarHBondContact N-OG1 2.92Å; A562-G576 PolarHBondContact N-O 3.35Å; A562-L578 HydrophobicContact CB-CD1 3.72Å; A562-L578 HydrophobicContact CB-CG 4.1Å; A562-V753 HydrophobicContact CB-CG1 4.18Å; A562-V753 HydrophobicContact CB-CG2 4.12Å; A562-V753 CarbonylContact O-C 3.59Å; A562-V753 WeakPolarHBondContact O-CA 3.08Å; A562-K754 PolarHBondContact O-N 3.17Å; A562-F761 HydrophobicContact CB-CD2 4.07Å; A562-F761 HydrophobicContact CB-CE2 3.82Å; A562-F761 HydrophobicContact CB-CZ 4.4Å
563	N	97.4	Very high	97.1	Very high	32 Å²	32	33.6 Å²	33.6	17%	0.171	18%	0.178	C	C	.	.	S	Bend	trans	-95.5	168.7	174	-148.7	-13.6	0	0	0	111.4	C561 V573 H574 T575 R752 K757	C561-N563 VanDerWaalsContact C-N 3.32Å; C561-N563 PolarHBondContact O-N 3.13Å; N563-V573 HydrophobicContact CB-CG1 3.73Å; N563-V573 WeakPolarHBondContact ND2-CG1 3.45Å; N563-H574 PolarHBondContact ND2-O 2.95Å; N563-H574 VanDerWaalsContact ND2-O 3.09Å; N563-T575 WeakPolarHBondContact CB-OG1 3.48Å; N563-T575 PolarHBondContact N-OG1 3.05Å; N563-R752 VanDerWaalsContact CB-O 3.3Å; N563-R752 WeakPolarHBondContact CB-O 3.22Å; N563-K757 PolarHBondContact O-NZ 2.99Å
564	D	96.9	Very high	97	Very high	46 Å²	46	35.9 Å²	35.9	25%	0.246	19%	0.188	C	C	.	.			trans	-84.2	134.2	175.8	179.7	22.6	0	0	0	112	Q558 D566 K754 K757	Q558-D564 PolarHBondContact NE2-OD1 3.49Å; Q558-D564 PolarHBondContact OE1-OD1 2.91Å; D564-D566 PolarHBondContact OD1-N 3.45Å; D564-K754 HydrophobicContact CB-CB 4.15Å; D564-K754 HydrophobicContact CB-CG 3.94Å; D564-K757 HydrophobicContact CB-CD 4.22Å
565	L	96.8	Very high	96.9	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	19%	0.185	C	C	.	.			trans	-117.8	-0.4	-176.5	-63.5	177.8	0	0	0	113.7	L554 L557 C561 V567 V573 V590	L554-L565 HydrophobicContact CD1-CB 4.2Å; L557-L565 HydrophobicContact CB-CD1 3.59Å; C561-L565 HydrophobicContact CB-CD1 3.63Å; C561-L565 HydrophobicContact CB-CG 4.36Å; L565-V567 PolarHBondContact O-N 2.95Å; L565-V573 HydrophobicContact CD2-CB 3.52Å; L565-V573 HydrophobicContact CD2-CG1 3.78Å; L565-V573 HydrophobicContact CD2-CG2 3.87Å; L565-V590 HydrophobicContact CD1-CB 4.49Å; L565-V590 HydrophobicContact CD1-CG1 4.26Å; L565-V590 HydrophobicContact CD1-CG2 4.41Å; L565-V590 HydrophobicContact CD2-CB 3.85Å; L565-V590 HydrophobicContact CD2-CG1 4.06Å; L565-V590 HydrophobicContact CD2-CG2 4.37Å
566	D	96.1	Very high	96.9	Very high	90 Å²	90	30 Å²	30	48%	0.481	16%	0.162	S	C	.	.			trans	-80.6	38.6	171	-159.5	24.5	0	0	0	112.2	L554 D564 R592	L554-D566 HydrophobicContact CD1-CB 4.2Å; L554-D566 HydrophobicContact CD2-CB 4.16Å; L554-D566 WeakPolarHBondContact CD2-OD1 3.44Å; D564-D566 PolarHBondContact OD1-N 3.45Å; D566-R592 VanDerWaalsContact C-NH1 3.3Å; D566-R592 IonicContact OD1-CZ 2.69Å; D566-R592 IonicContact OD1-NH1 2.77Å; D566-R592 PolarHBondContact OD1-NH1 3.02Å; D566-R592 IonicContact OD1-NH2 3.22Å; D566-R592 PolarHBondContact OD1-NH2 2.8Å
567	V	95.9	Very high	96.9	Very high	31 Å²	31	29.4 Å²	29.4	19%	0.188	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-78.5	157.4	177	-65.1	0	0	0	0	111.4	L565 H571 V573 R592	L565-V567 PolarHBondContact O-N 2.95Å; V567-H571 HydrophobicContact CB-CB 3.93Å; V567-H571 HydrophobicContact CG2-CB 3.65Å; V567-V573 HydrophobicContact CB-CG2 4.46Å; V567-V573 HydrophobicContact CG1-CG2 3.9Å; V567-V573 HydrophobicContact CG2-CG2 3.75Å; V567-R592 WeakPolarHBondContact O-CD 2.86Å; V567-R592 PolarHBondContact O-NH1 3.33Å
568	P	96.8	Very high	96.9	Very high	85 Å²	85	29.4 Å²	29.4	55%	0.552	16%	0.159	S	C	*	.	P	Polyproline II helix	trans	-59.4	148.5	179.2	-21.2	32	0	0	0	112.5	G570 H571	P568-G570 PolarHBondContact O-N 2.86Å; P568-H571 WeakPolarHBondContact O-CB 3.18Å; P568-H571 PolarHBondContact O-N 3.45Å; P568-H571 PolarHBondContact O-ND1 2.91Å
569	V	96.9	Very high	96.8	Very high	77 Å²	77	28.9 Å²	28.9	47%	0.467	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	138.7	178.2	174.5	0	0	0	0	111.1	R592 L593	V569-R592 HydrophobicContact CG2-CG 4.42Å; V569-L593 VanDerWaalsContact CG1-O 3.29Å; V569-L593 WeakPolarHBondContact CG1-O 3.44Å
570	G	95.9	Very high	96.8	Very high	8 Å²	8	31.4 Å²	31.4	8%	0.082	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-19.8	-171.9	0	0	0	0	0	114.1	P568 R592 F664 C665	P568-G570 PolarHBondContact O-N 2.86Å; G570-R592 PolarHBondContact N-O 2.9Å; G570-F664 CarbonylContact O-C 3.56Å; G570-C665 WeakPolarHBondContact CA-O 3.46Å; G570-C665 WeakPolarHBondContact O-CA 3.34Å; G570-C665 WeakPolarHBondContact O-CB 3.36Å; G570-C665 PolarHBondContact O-N 2.88Å
571	H	97.1	Very high	96.7	Very high	62 Å²	62	35.2 Å²	35.2	29%	0.287	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-73.5	148.2	-179.5	-69.5	72.2	0	0	0	112.8	V567 P568 R592 F664	V567-H571 HydrophobicContact CB-CB 3.93Å; V567-H571 HydrophobicContact CG2-CB 3.65Å; P568-H571 WeakPolarHBondContact O-CB 3.18Å; P568-H571 PolarHBondContact O-N 3.45Å; P568-H571 PolarHBondContact O-ND1 2.91Å; H571-R592 PolarHBondContact O-N 2.61Å; H571-R592 VanDerWaalsContact O-N 3.09Å; H571-F664 AromaticContact CE1-CD2 3.99Å; H571-F664 AromaticContact CE1-CE2 3.91Å; H571-F664 AromaticContact ND1-CE2 3.92Å
572	I	97.4	Very high	96.6	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.041	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.3	177	-47.2	176	0	0	0	108.6	V590 V591 M663 C665 M679 M681	I572-V590 CarbonylContact C-O 3.57Å; I572-V590 WeakPolarHBondContact CA-O 3.31Å; I572-V591 HydrophobicContact CG1-CG1 4.22Å; I572-V591 HydrophobicContact CG1-CG2 4.05Å; I572-V591 HydrophobicContact CG2-CG2 4.15Å; I572-M663 HydrophobicContact CB-CB 4.33Å; I572-M663 HydrophobicContact CB-CE 4.1Å; I572-M663 WeakPolarHBondContact CB-O 3.36Å; I572-M663 WeakPolarHBondContact CG1-O 3.41Å; I572-M663 HydrophobicContact CG2-CE 3.83Å; I572-M663 PolarHBondContact N-O 3.13Å; I572-C665 HydrophobicContact CD1-CB 4.01Å; I572-C665 HydrophobicContact CG1-CB 3.92Å; I572-M679 HydrophobicContact CD1-CB 3.61Å; I572-M679 HydrophobicContact CD1-CG 3.82Å; I572-M679 HydrophobicContact CD1-SD 4.09Å; I572-M681 HydrophobicContact CD1-CG 4.24Å; I572-M681 HydrophobicContact CD1-SD 4.06Å; I572-M681 HydrophobicContact CG2-SD 3.89Å
573	V	97.1	Very high	96.5	Very high	15 Å²	15	35.2 Å²	35.2	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	121.6	179.2	-177	0	0	0	0	109.4	N563 L565 V567 S589 V590	N563-V573 HydrophobicContact CB-CG1 3.73Å; N563-V573 WeakPolarHBondContact ND2-CG1 3.45Å; L565-V573 HydrophobicContact CD2-CB 3.52Å; L565-V573 HydrophobicContact CD2-CG1 3.78Å; L565-V573 HydrophobicContact CD2-CG2 3.87Å; V567-V573 HydrophobicContact CB-CG2 4.46Å; V567-V573 HydrophobicContact CG1-CG2 3.9Å; V567-V573 HydrophobicContact CG2-CG2 3.75Å; V573-S589 WeakPolarHBondContact O-CA 3.49Å; V573-V590 PolarHBondContact N-O 3.41Å; V573-V590 PolarHBondContact O-N 3.47Å
574	H	95.3	Very high	96.5	Very high	48 Å²	48	33.8 Å²	33.8	22%	0.222	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.9	166.2	-162.9	156.4	0	0	0	108.1	N563 D587 C588 M663 R752	N563-H574 PolarHBondContact ND2-O 2.95Å; N563-H574 VanDerWaalsContact ND2-O 3.09Å; H574-D587 IonicContact CD2-OD1 2.8Å; H574-D587 PolarHBondContact CD2-OD1 3.36Å; H574-D587 IonicContact CE1-OD1 3.54Å; H574-D587 IonicContact NE2-OD1 2.63Å; H574-D587 PolarHBondContact NE2-OD1 2.91Å; H574-D587 IonicContact NE2-OD2 2.96Å; H574-C588 PolarHBondContact CD2-O 3Å; H574-M663 HydrophobicContact CB-CE 4.34Å; H574-R752 PolarHBondContact CE1-NH1 2.81Å; H574-R752 VanDerWaalsContact ND1-CZ 3.32Å; H574-R752 PolarHBondContact ND1-NH1 2.75Å; H574-R752 PolarHBondContact ND1-NH2 3.02Å; H574-R752 PolarHBondContact NE2-NH1 3.49Å; H574-R752 VanDerWaalsContact NE2-NH1 3.2Å
575	T	96.2	Very high	96.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	162.4	-179.6	-173.9	0	0	0	0	111	C561 A562 N563 C588 V590	C561-T575 HydrophobicContact CB-CG2 3.76Å; C561-T575 WeakPolarHBondContact CB-OG1 3.11Å; A562-T575 PolarHBondContact N-OG1 2.92Å; N563-T575 WeakPolarHBondContact CB-OG1 3.48Å; N563-T575 PolarHBondContact N-OG1 3.05Å; T575-C588 PolarHBondContact N-O 3.26Å; T575-C588 PolarHBondContact O-N 3.45Å; T575-V590 HydrophobicContact CG2-CG2 3.9Å
576	G	95.9	Very high	96.3	Very high	4 Å²	4	32.4 Å²	32.4	4%	0.041	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	150	160.5	0	0	0	0	0	110.9	C561 A562 N586	C561-G576 WeakPolarHBondContact CA-O 3.47Å; A562-G576 PolarHBondContact N-O 3.35Å; G576-N586 CarbonylContact C-O 3.56Å; G576-N586 WeakPolarHBondContact CA-O 3.14Å
577	M	97.7	Very high	96.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.1	154.9	-44.6	-179.8	-174.4	0	0	107.5	L557 L560 E585 N586 I600 I614	L557-M577 HydrophobicContact CD2-CE 4.45Å; L560-M577 HydrophobicContact CB-CG 4.45Å; L560-M577 HydrophobicContact CB-SD 4.43Å; L560-M577 HydrophobicContact CD1-SD 4.39Å; L560-M577 VanDerWaalsContact O-CA 3.3Å; L560-M577 WeakPolarHBondContact O-CA 3.23Å; M577-E585 PolarHBondContact O-N 2.68Å; M577-N586 HydrophobicContact CB-CB 3.96Å; M577-N586 HydrophobicContact CG-CB 4.01Å; M577-N586 PolarHBondContact N-O 2.96Å; M577-N586 PolarHBondContact O-N 3.49Å; M577-N586 HydrophobicContact SD-CB 4.19Å; M577-I600 HydrophobicContact CE-CG2 4.19Å; M577-I614 HydrophobicContact CE-CD1 4.02Å; M577-I614 HydrophobicContact CE-CG1 4.09Å; M577-I614 HydrophobicContact SD-CD1 4.46Å; M577-I614 HydrophobicContact SD-CG1 3.92Å
578	L	97.4	Very high	96.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	156.8	-171	-50.7	179.7	0	0	0	111.3	A562 G583 Y584 W613 P744 F761 L762 L767	A562-L578 HydrophobicContact CB-CD1 3.72Å; A562-L578 HydrophobicContact CB-CG 4.1Å; L578-G583 CarbonylContact C-O 3.56Å; L578-G583 WeakPolarHBondContact CA-O 3.36Å; L578-Y584 HydrophobicContact CD2-CD1 3.7Å; L578-Y584 HydrophobicContact CD2-CE1 4.06Å; L578-Y584 HydrophobicContact CD2-CG 4.08Å; L578-W613 WeakPolarHBondContact O-CZ2 3.41Å; L578-P744 HydrophobicContact CD1-CG 4.12Å; L578-P744 HydrophobicContact CD2-CG 4.15Å; L578-F761 HydrophobicContact CD1-CE2 4.4Å; L578-L762 WeakPolarHBondContact O-CD2 3.39Å; L578-L762 WeakPolarHBondContact O-CG 3.16Å; L578-L767 HydrophobicContact CD1-CD1 3.57Å; L578-L767 HydrophobicContact CD1-CG 4.35Å
579	N	96.4	Very high	96.2	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.027	12%	0.118	C	C	.	.			trans	-84.7	174	163.7	61	46.5	0	0	0	111.6	R581 G582 G583 E585 W613 T740 G763	N579-R581 PolarHBondContact ND2-NH2 2.87Å; N579-R581 VanDerWaalsContact ND2-NH2 3.19Å; N579-R581 PolarHBondContact O-N 2.97Å; N579-R581 VanDerWaalsContact O-N 3.09Å; N579-R581 WeakPolarHBondContact OD1-CA 3.4Å; N579-R581 WeakPolarHBondContact OD1-CB 3.19Å; N579-R581 PolarHBondContact OD1-N 2.95Å; N579-G582 WeakPolarHBondContact O-CA 3.38Å; N579-G582 PolarHBondContact O-N 2.99Å; N579-G582 PolarHBondContact OD1-N 2.6Å; N579-G583 PolarHBondContact N-O 3Å; N579-G583 PolarHBondContact ND2-O 3.13Å; N579-G583 PolarHBondContact OD1-N 2.74Å; N579-E585 HydrophobicContact CB-CG 3.89Å; N579-E585 WeakPolarHBondContact CB-OE1 3.49Å; N579-E585 PolarHBondContact ND2-OE1 2.82Å; N579-W613 HydrophobicContact CB-CH2 4.19Å; N579-W613 HydrophobicContact CB-CZ2 4.48Å; N579-T740 PolarHBondContact ND2-O 3.36Å; N579-G763 VanDerWaalsContact O-CA 3.24Å; N579-G763 WeakPolarHBondContact O-CA 3.48Å
580	E	95.9	Very high	96.3	Very high	145 Å²	145	20 Å²	20	68%	0.678	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.1	179.4	-64.3	172.7	161.6	0	0	113.9	G582 L762 A766	E580-G582 VanDerWaalsContact C-N 3.28Å; E580-G582 PolarHBondContact O-N 2.89Å; E580-L762 HydrophobicContact CG-CD1 3.64Å; E580-A766 VanDerWaalsContact O-CB 3.25Å; E580-A766 WeakPolarHBondContact O-CB 3.49Å
581	R	95.4	Very high	96.4	Very high	79 Å²	79	19.6 Å²	19.6	30%	0.298	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4	176.9	-55.3	178.6	-56.1	-67.6	-7	113	N579 G583 T740	N579-R581 PolarHBondContact ND2-NH2 2.87Å; N579-R581 VanDerWaalsContact ND2-NH2 3.19Å; N579-R581 PolarHBondContact O-N 2.97Å; N579-R581 VanDerWaalsContact O-N 3.09Å; N579-R581 WeakPolarHBondContact OD1-CA 3.4Å; N579-R581 WeakPolarHBondContact OD1-CB 3.19Å; N579-R581 PolarHBondContact OD1-N 2.95Å; R581-G583 VanDerWaalsContact C-N 3.31Å; R581-G583 PolarHBondContact O-N 3.4Å; R581-T740 PolarHBondContact NH2-O 2.68Å
582	G	95.8	Very high	96.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	77.2	9.7	-178.7	0	0	0	0	0	115	N579 E580 P744	N579-G582 WeakPolarHBondContact O-CA 3.38Å; N579-G582 PolarHBondContact O-N 2.99Å; N579-G582 PolarHBondContact OD1-N 2.6Å; E580-G582 VanDerWaalsContact C-N 3.28Å; E580-G582 PolarHBondContact O-N 2.89Å; G582-P744 WeakPolarHBondContact O-CD 3.48Å
583	G	96.3	Very high	96.4	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.01	9%	0.091	C	C	.	.			trans	-83	149.8	177.8	0	0	0	0	0	113	L578 N579 R581 E585 T742	L578-G583 CarbonylContact C-O 3.56Å; L578-G583 WeakPolarHBondContact CA-O 3.36Å; N579-G583 PolarHBondContact N-O 3Å; N579-G583 PolarHBondContact ND2-O 3.13Å; N579-G583 PolarHBondContact OD1-N 2.74Å; R581-G583 VanDerWaalsContact C-N 3.31Å; R581-G583 PolarHBondContact O-N 3.4Å; G583-E585 PolarHBondContact O-N 3.06Å; G583-T742 WeakPolarHBondContact CA-O 3.44Å
584	Y	96.4	Very high	96.4	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.012	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	109.4	-178.8	-72.5	-80.2	0	0	0	113.1	L578 D587 W734 L738 D739 T740 T742 P744	L578-Y584 HydrophobicContact CD2-CD1 3.7Å; L578-Y584 HydrophobicContact CD2-CE1 4.06Å; L578-Y584 HydrophobicContact CD2-CG 4.08Å; Y584-D587 HydrophobicContact CD1-CB 4.48Å; Y584-W734 PolarHBondContact O-NE1 3.26Å; Y584-L738 HydrophobicContact CD2-CB 4.16Å; Y584-L738 HydrophobicContact CD2-CD1 4.21Å; Y584-L738 HydrophobicContact CD2-CD2 4.3Å; Y584-L738 HydrophobicContact CD2-CG 4.47Å; Y584-L738 HydrophobicContact CE2-CD1 4.21Å; Y584-L738 HydrophobicContact CE2-CD2 4.21Å; Y584-D739 PolarHBondContact N-O 2.65Å; Y584-D739 CarbonylContact O-C 3.51Å; Y584-D739 VanDerWaalsContact O-C 3.24Å; Y584-T740 WeakPolarHBondContact O-CA 3.46Å; Y584-T740 PolarHBondContact O-N 3.4Å; Y584-T742 WeakPolarHBondContact CD2-O 3.4Å; Y584-T742 PolarHBondContact N-O 2.93Å; Y584-P744 HydrophobicContact CE1-CG 4.34Å; Y584-P744 HydrophobicContact CE2-CG 4.14Å
585	E	95.3	Very high	96.4	Very high	19 Å²	19	25.1 Å²	25.1	9%	0.089	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-33.6	160.4	-58.7	-64.8	139	0	0	110.1	M577 N579 G583 H609 W613 W734 T740	M577-E585 PolarHBondContact O-N 2.68Å; N579-E585 HydrophobicContact CB-CG 3.89Å; N579-E585 WeakPolarHBondContact CB-OE1 3.49Å; N579-E585 PolarHBondContact ND2-OE1 2.82Å; G583-E585 PolarHBondContact O-N 3.06Å; E585-H609 PolarHBondContact O-CD2 2.95Å; E585-H609 PolarHBondContact O-NE2 2.8Å; E585-H609 IonicContact OE2-CE1 2.98Å; E585-H609 PolarHBondContact OE2-CE1 3.31Å; E585-H609 VanDerWaalsContact OE2-CE1 3.27Å; E585-H609 IonicContact OE2-NE2 2.8Å; E585-H609 PolarHBondContact OE2-NE2 3.42Å; E585-W613 HydrophobicContact CB-CD2 3.88Å; E585-W613 HydrophobicContact CB-CE3 4.3Å; E585-W613 HydrophobicContact CB-CG 4.15Å; E585-W613 HydrophobicContact CB-CZ2 4.35Å; E585-W613 HydrophobicContact CG-CD2 3.91Å; E585-W613 HydrophobicContact CG-CE3 3.97Å; E585-W613 HydrophobicContact CG-CH2 3.78Å; E585-W613 HydrophobicContact CG-CZ2 3.69Å; E585-W613 HydrophobicContact CG-CZ3 3.91Å; E585-W734 WeakPolarHBondContact O-CZ2 3.46Å; E585-W734 PolarHBondContact O-NE1 2.84Å; E585-T740 VanDerWaalsContact CD-CG2 3.45Å; E585-T740 VanDerWaalsContact OE1-CB 3.28Å; E585-T740 WeakPolarHBondContact OE1-CB 3.33Å; E585-T740 WeakPolarHBondContact OE1-CG2 3.31Å; E585-T740 WeakPolarHBondContact OE2-CG2 3.31Å
586	N	95.3	Very high	96.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	139.7	176.9	179.6	-114.8	0	0	0	112.5	G576 M577 C588 S602 Q606 C610	G576-N586 CarbonylContact C-O 3.56Å; G576-N586 WeakPolarHBondContact CA-O 3.14Å; M577-N586 HydrophobicContact CB-CB 3.96Å; M577-N586 HydrophobicContact CG-CB 4.01Å; M577-N586 PolarHBondContact N-O 2.96Å; M577-N586 PolarHBondContact O-N 3.49Å; M577-N586 HydrophobicContact SD-CB 4.19Å; N586-C588 WeakPolarHBondContact OD1-CB 3.41Å; N586-C588 PolarHBondContact OD1-SG 3.05Å; N586-S602 PolarHBondContact ND2-OG 3.01Å; N586-Q606 VanDerWaalsContact CA-OE1 3.26Å; N586-Q606 PolarHBondContact ND2-OE1 3.19Å; N586-C610 PolarHBondContact ND2-SG 2.63Å; N586-C610 VanDerWaalsContact ND2-SG 3.39Å
587	D	94.8	Very high	96.5	Very high	13 Å²	13	27.4 Å²	27.4	7%	0.07	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.9	169.3	177.6	47	0	0	0	108.5	H574 Y584 P603 W734 L738	H574-D587 IonicContact CD2-OD1 2.8Å; H574-D587 PolarHBondContact CD2-OD1 3.36Å; H574-D587 IonicContact CE1-OD1 3.54Å; H574-D587 IonicContact NE2-OD1 2.63Å; H574-D587 PolarHBondContact NE2-OD1 2.91Å; H574-D587 IonicContact NE2-OD2 2.96Å; Y584-D587 HydrophobicContact CD1-CB 4.48Å; D587-P603 VanDerWaalsContact O-CD 3.31Å; D587-P603 WeakPolarHBondContact O-CD 3.46Å; D587-W734 HydrophobicContact CB-CB 4.08Å; D587-L738 HydrophobicContact CB-CD1 4.04Å
588	C	95.9	Very high	96.5	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.02	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	163.4	-166.2	62	0	0	0	0	114.2	H574 T575 N586 I600 I601 S602	H574-C588 PolarHBondContact CD2-O 3Å; T575-C588 PolarHBondContact N-O 3.26Å; T575-C588 PolarHBondContact O-N 3.45Å; N586-C588 WeakPolarHBondContact OD1-CB 3.41Å; N586-C588 PolarHBondContact OD1-SG 3.05Å; C588-I600 HydrophobicContact CB-CG2 4.19Å; C588-I601 VanDerWaalsContact CA-O 3.22Å; C588-I601 WeakPolarHBondContact CA-O 3.32Å; C588-I601 WeakPolarHBondContact CB-O 3.48Å; C588-S602 WeakPolarHBondContact CB-OG 3.44Å
589	S	96.8	Very high	96.6	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.028	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	126.8	165	-59.8	0	0	0	0	108.8	V573 I601	V573-S589 WeakPolarHBondContact O-CA 3.49Å; S589-I601 PolarHBondContact N-O 3.24Å; S589-I601 PolarHBondContact O-N 2.96Å
590	V	98.1	Very high	96.7	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.6	179.4	-177.6	0	0	0	0	108.6	L557 L565 I572 V573 T575 F598 F599 I600	L557-V590 HydrophobicContact CD1-CG1 4.21Å; L565-V590 HydrophobicContact CD1-CB 4.49Å; L565-V590 HydrophobicContact CD1-CG1 4.26Å; L565-V590 HydrophobicContact CD1-CG2 4.41Å; L565-V590 HydrophobicContact CD2-CB 3.85Å; L565-V590 HydrophobicContact CD2-CG1 4.06Å; L565-V590 HydrophobicContact CD2-CG2 4.37Å; I572-V590 CarbonylContact C-O 3.57Å; I572-V590 WeakPolarHBondContact CA-O 3.31Å; V573-V590 PolarHBondContact N-O 3.41Å; V573-V590 PolarHBondContact O-N 3.47Å; T575-V590 HydrophobicContact CG2-CG2 3.9Å; V590-F598 HydrophobicContact CG1-CB 4.29Å; V590-F598 HydrophobicContact CG1-CD1 3.98Å; V590-F599 WeakPolarHBondContact CA-O 3.46Å; V590-I600 HydrophobicContact CG1-CG1 4.5Å; V590-I600 HydrophobicContact CG2-CG1 4.43Å; V590-I600 HydrophobicContact CG2-CG2 4.4Å
591	V	98.2	Very high	96.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.6	176.1	-169.6	0	0	0	0	109.1	I572 L593 F598 F599 I601 C665 M679	I572-V591 HydrophobicContact CG1-CG1 4.22Å; I572-V591 HydrophobicContact CG1-CG2 4.05Å; I572-V591 HydrophobicContact CG2-CG2 4.15Å; V591-L593 HydrophobicContact CB-CD2 4.47Å; V591-L593 HydrophobicContact CG1-CD2 3.96Å; V591-L593 PolarHBondContact O-N 3.11Å; V591-F598 CarbonylContact O-C 3.58Å; V591-F598 VanDerWaalsContact O-CA 3.24Å; V591-F598 WeakPolarHBondContact O-CA 3.38Å; V591-F599 HydrophobicContact CB-CB 4.16Å; V591-F599 HydrophobicContact CG2-CB 4.44Å; V591-F599 HydrophobicContact CG2-CD1 4.34Å; V591-F599 PolarHBondContact N-O 2.84Å; V591-F599 PolarHBondContact O-N 2.97Å; V591-I601 HydrophobicContact CG2-CD1 4.32Å; V591-C665 HydrophobicContact CG1-CB 3.37Å; V591-M679 HydrophobicContact CG2-CE 3.85Å; V591-M679 HydrophobicContact CG2-SD 3.96Å
592	R	98	Very high	96.8	Very high	21 Å²	21	16.7 Å²	16.7	8%	0.079	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	95.3	170.6	-169.2	178.7	-161.9	170.7	10.7	109.9	D566 V567 V569 G570 H571 S594 F598	D566-R592 VanDerWaalsContact C-NH1 3.3Å; D566-R592 IonicContact OD1-CZ 2.69Å; D566-R592 IonicContact OD1-NH1 2.77Å; D566-R592 PolarHBondContact OD1-NH1 3.02Å; D566-R592 IonicContact OD1-NH2 3.22Å; D566-R592 PolarHBondContact OD1-NH2 2.8Å; V567-R592 WeakPolarHBondContact O-CD 2.86Å; V567-R592 PolarHBondContact O-NH1 3.33Å; V569-R592 HydrophobicContact CG2-CG 4.42Å; G570-R592 PolarHBondContact N-O 2.9Å; H571-R592 PolarHBondContact O-N 2.61Å; H571-R592 VanDerWaalsContact O-N 3.09Å; R592-S594 WeakPolarHBondContact CG-O 3.49Å; R592-F598 HydrophobicContact CB-CD1 4.15Å; R592-F598 HydrophobicContact CB-CE1 3.92Å; R592-F598 HydrophobicContact CG-CD1 4.18Å; R592-F598 HydrophobicContact CG-CE1 3.63Å; R592-F598 HydrophobicContact CG-CZ 4.07Å
593	L	96.9	Very high	96.7	Very high	44 Å²	44	17.1 Å²	17.1	23%	0.23	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-35.1	-177.7	-65.1	-179	0	0	0	112.9	V569 V591 S597 F599	V569-L593 VanDerWaalsContact CG1-O 3.29Å; V569-L593 WeakPolarHBondContact CG1-O 3.44Å; V591-L593 HydrophobicContact CB-CD2 4.47Å; V591-L593 HydrophobicContact CG1-CD2 3.96Å; V591-L593 PolarHBondContact O-N 3.11Å; L593-S597 PolarHBondContact N-O 3.14Å; L593-F599 HydrophobicContact CD1-CB 3.87Å; L593-F599 HydrophobicContact CD2-CB 4.34Å; L593-F599 HydrophobicContact CG-CB 4.02Å
594	S	96.8	Very high	96.5	Very high	51 Å²	51	17.1 Å²	17.1	36%	0.357	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	-175.8	173.1	84.4	0	0	0	0	109.5	R592 N596 S597	R592-S594 WeakPolarHBondContact CG-O 3.49Å; S594-N596 PolarHBondContact O-N 2.86Å; S594-N596 VanDerWaalsContact O-N 3.15Å; S594-N596 PolarHBondContact OG-N 3.15Å; S594-S597 PolarHBondContact N-O 3.3Å; S594-S597 VanDerWaalsContact OG-CB 3.28Å; S594-S597 WeakPolarHBondContact OG-CB 3.35Å; S594-S597 PolarHBondContact OG-N 3.47Å
595	K	95	Very high	96.1	Very high	132 Å²	132	18.1 Å²	18.1	57%	0.574	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-40	178	-167.6	-170.2	171.4	-176.6	0	112.5
596	N	96.2	Very high	95.9	Very high	32 Å²	32	17.2 Å²	17.2	17%	0.171	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.5	21.3	-171.4	-47.9	-8.6	0	0	0	112.9	T547 S548 T549 G550 S594	T547-N596 WeakPolarHBondContact CA-O 3.09Å; S548-N596 PolarHBondContact N-O 3.44Å; S548-N596 WeakPolarHBondContact O-CB 3.25Å; S548-N596 PolarHBondContact O-ND2 2.74Å; T549-N596 PolarHBondContact O-ND2 3.29Å; G550-N596 WeakPolarHBondContact O-CB 3.41Å; G550-N596 PolarHBondContact O-ND2 3.06Å; G550-N596 PolarHBondContact O-OD1 3.36Å; S594-N596 PolarHBondContact O-N 2.86Å; S594-N596 VanDerWaalsContact O-N 3.15Å; S594-N596 PolarHBondContact OG-N 3.15Å
597	S	97.8	Very high	95.8	Very high	21 Å²	21	18.2 Å²	18.2	15%	0.147	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128.9	-178.8	179.8	0	0	0	0	110.9	L593 S594	L593-S597 PolarHBondContact N-O 3.14Å; S594-S597 PolarHBondContact N-O 3.3Å; S594-S597 VanDerWaalsContact OG-CB 3.28Å; S594-S597 WeakPolarHBondContact OG-CB 3.35Å; S594-S597 PolarHBondContact OG-N 3.47Å
598	F	98.6	Very high	95.8	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.7	-175.6	-61.3	-94.6	0	0	0	111.3	E545 L546 A553 L554 L557 V590 V591 R592	E545-F598 WeakPolarHBondContact CA-O 3.47Å; L546-F598 PolarHBondContact N-O 3.39Å; L546-F598 PolarHBondContact O-N 2.94Å; A553-F598 HydrophobicContact CB-CD2 3.88Å; A553-F598 HydrophobicContact CB-CE2 3.99Å; L554-F598 HydrophobicContact CB-CE2 4.07Å; L554-F598 HydrophobicContact CB-CZ 3.83Å; L554-F598 HydrophobicContact CD1-CE1 4.25Å; L554-F598 HydrophobicContact CD1-CZ 3.8Å; L554-F598 HydrophobicContact CG-CZ 4.39Å; L557-F598 HydrophobicContact CD1-CB 3.69Å; L557-F598 HydrophobicContact CD1-CD1 3.86Å; L557-F598 HydrophobicContact CD1-CD2 3.91Å; L557-F598 HydrophobicContact CD1-CE1 4.48Å; L557-F598 HydrophobicContact CD1-CG 3.54Å; V590-F598 HydrophobicContact CG1-CB 4.29Å; V590-F598 HydrophobicContact CG1-CD1 3.98Å; V591-F598 CarbonylContact O-C 3.58Å; V591-F598 VanDerWaalsContact O-CA 3.24Å; V591-F598 WeakPolarHBondContact O-CA 3.38Å; R592-F598 HydrophobicContact CB-CD1 4.15Å; R592-F598 HydrophobicContact CB-CE1 3.92Å; R592-F598 HydrophobicContact CG-CD1 4.18Å; R592-F598 HydrophobicContact CG-CE1 3.63Å; R592-F598 HydrophobicContact CG-CZ 4.07Å
599	F	98.4	Very high	95.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118.9	174.2	-172.6	-112.5	0	0	0	109.6	K543 F544 E545 V590 V591 L593 I601 V629 Y633 M679 Y692	K543-F599 HydrophobicContact CB-CE2 3.97Å; K543-F599 HydrophobicContact CB-CZ 3.83Å; K543-F599 HydrophobicContact CD-CZ 4.14Å; K543-F599 HydrophobicContact CG-CZ 4.16Å; F544-F599 CarbonylContact O-C 3.32Å; F544-F599 WeakPolarHBondContact O-CA 3.37Å; E545-F599 HydrophobicContact CG-CD2 3.73Å; E545-F599 HydrophobicContact CG-CE2 4.33Å; V590-F599 WeakPolarHBondContact CA-O 3.46Å; V591-F599 HydrophobicContact CB-CB 4.16Å; V591-F599 HydrophobicContact CG2-CB 4.44Å; V591-F599 HydrophobicContact CG2-CD1 4.34Å; V591-F599 PolarHBondContact N-O 2.84Å; V591-F599 PolarHBondContact O-N 2.97Å; L593-F599 HydrophobicContact CD1-CB 3.87Å; L593-F599 HydrophobicContact CD2-CB 4.34Å; L593-F599 HydrophobicContact CG-CB 4.02Å; F599-I601 HydrophobicContact CD1-CD1 3.82Å; F599-I601 HydrophobicContact CD1-CG1 3.73Å; F599-I601 HydrophobicContact CE1-CD1 3.8Å; F599-I601 HydrophobicContact CE1-CG1 3.58Å; F599-V629 HydrophobicContact CD2-CG2 4.38Å; F599-V629 HydrophobicContact CE2-CG2 3.77Å; F599-Y633 HydrophobicContact CE2-CD2 4.12Å; F599-Y633 AromaticContact CE2-CE2 3.94Å; F599-Y633 HydrophobicContact CE2-CE2 3.94Å; F599-Y633 HydrophobicContact CZ-CD2 4.26Å; F599-Y633 HydrophobicContact CZ-CE2 4.45Å; F599-M679 HydrophobicContact CD1-CE 3.8Å; F599-M679 HydrophobicContact CE1-CE 3.91Å; F599-Y692 AromaticContact CE1-CD1 3.81Å; F599-Y692 HydrophobicContact CE1-CD1 3.81Å; F599-Y692 HydrophobicContact CE1-CD2 4.3Å; F599-Y692 AromaticContact CE1-CE1 3.94Å; F599-Y692 HydrophobicContact CE1-CE1 3.94Å; F599-Y692 HydrophobicContact CE1-CE2 4.42Å; F599-Y692 HydrophobicContact CE1-CG 4Å; F599-Y692 AromaticContact CZ-CD1 3.82Å; F599-Y692 HydrophobicContact CZ-CD1 3.82Å; F599-Y692 HydrophobicContact CZ-CE1 4.18Å; F599-Y692 HydrophobicContact CZ-CG 4.26Å
600	I	98.4	Very high	95.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.3	-173.6	-51.5	169.7	0	0	0	108.4	K543 F544 L546 L557 M577 C588 V590 I614	K543-I600 CarbonylContact C-O 3.49Å; K543-I600 WeakPolarHBondContact CA-O 3.29Å; F544-I600 HydrophobicContact CB-CB 4.25Å; F544-I600 HydrophobicContact CD2-CB 4.47Å; F544-I600 PolarHBondContact N-O 2.84Å; F544-I600 PolarHBondContact O-N 2.89Å; L546-I600 HydrophobicContact CB-CD1 4.34Å; L557-I600 HydrophobicContact CD2-CD1 3.87Å; M577-I600 HydrophobicContact CE-CG2 4.19Å; C588-I600 HydrophobicContact CB-CG2 4.19Å; V590-I600 HydrophobicContact CG1-CG1 4.5Å; V590-I600 HydrophobicContact CG2-CG1 4.43Å; V590-I600 HydrophobicContact CG2-CG2 4.4Å; I600-I614 HydrophobicContact CD1-CD1 3.99Å
601	I	97.4	Very high	95.6	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.015	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.3	-179.6	-63.1	152.7	0	0	0	108.8	F541 T542 C588 S589 V591 F599 M679 Y692	F541-I601 HydrophobicContact CD1-CG2 4.04Å; T542-I601 WeakPolarHBondContact O-CA 3.4Å; C588-I601 VanDerWaalsContact CA-O 3.22Å; C588-I601 WeakPolarHBondContact CA-O 3.32Å; C588-I601 WeakPolarHBondContact CB-O 3.48Å; S589-I601 PolarHBondContact N-O 3.24Å; S589-I601 PolarHBondContact O-N 2.96Å; V591-I601 HydrophobicContact CG2-CD1 4.32Å; F599-I601 HydrophobicContact CD1-CD1 3.82Å; F599-I601 HydrophobicContact CD1-CG1 3.73Å; F599-I601 HydrophobicContact CE1-CD1 3.8Å; F599-I601 HydrophobicContact CE1-CG1 3.58Å; I601-M679 HydrophobicContact CD1-CE 4.11Å; I601-M679 HydrophobicContact CD1-SD 3.76Å; I601-Y692 HydrophobicContact CD1-CE1 4.43Å; I601-Y692 HydrophobicContact CD1-CE2 3.77Å; I601-Y692 WeakPolarHBondContact CD1-OH 3.47Å; I601-Y692 HydrophobicContact CG1-CE1 4.3Å; I601-Y692 HydrophobicContact CG1-CE2 4.5Å; I601-Y692 VanDerWaalsContact CG2-OH 3.29Å; I601-Y692 WeakPolarHBondContact CG2-OH 3.37Å
602	S	95.6	Very high	95.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	156.1	175.6	-67.3	0	0	0	0	112	F541 T542 N586 C588	F541-S602 WeakPolarHBondContact CD1-O 3.48Å; T542-S602 WeakPolarHBondContact CB-O 3.38Å; T542-S602 PolarHBondContact N-O 2.82Å; T542-S602 PolarHBondContact O-N 3.47Å; N586-S602 PolarHBondContact ND2-OG 3.01Å; C588-S602 WeakPolarHBondContact CB-OG 3.44Å
603	P	93.7	Very high	95.3	Very high	9 Å²	9	23.7 Å²	23.7	6%	0.058	12%	0.118	C	C	.	.			trans	-51.7	142.3	165.8	-29.7	35.5	0	0	0	113.7	T542 D587 D605 Q606 F733	T542-P603 PolarHBondContact OG1-O 2.9Å; D587-P603 VanDerWaalsContact O-CD 3.31Å; D587-P603 WeakPolarHBondContact O-CD 3.46Å; P603-D605 VanDerWaalsContact C-N 3.25Å; P603-D605 PolarHBondContact O-N 3.39Å; P603-D605 VanDerWaalsContact O-N 3.08Å; P603-Q606 VanDerWaalsContact CD-NE2 3.29Å; P603-Q606 VanDerWaalsContact CG-NE2 3.3Å; P603-Q606 WeakPolarHBondContact O-CB 3.45Å; P603-Q606 PolarHBondContact O-N 3.5Å; P603-F733 HydrophobicContact CB-CE1 3.68Å; P603-F733 HydrophobicContact CB-CZ 3.72Å; P603-F733 HydrophobicContact CG-CE1 4.1Å; P603-F733 HydrophobicContact CG-CE2 4.28Å; P603-F733 HydrophobicContact CG-CZ 3.88Å
604	T	92.8	Very high	95.3	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-44.3	-43.1	-177.8	-54.7	0	0	0	0	114.9	K488 H489 F491 R493 S540 Q606 Q607	K488-T604 HydrophobicContact CB-CG2 4.35Å; K488-T604 HydrophobicContact CG-CG2 4.06Å; K488-T604 WeakPolarHBondContact O-CG2 3.44Å; H489-T604 HydrophobicContact CB-CG2 3.78Å; F491-T604 HydrophobicContact CD2-CG2 4.25Å; R493-T604 PolarHBondContact NH1-OG1 3.28Å; S540-T604 WeakPolarHBondContact CB-OG1 3.13Å; S540-T604 WeakPolarHBondContact O-CB 3.19Å; S540-T604 VanDerWaalsContact O-CG2 3.32Å; S540-T604 WeakPolarHBondContact O-CG2 3.38Å; S540-T604 PolarHBondContact O-OG1 3.27Å; S540-T604 PolarHBondContact OG-OG1 3.01Å; T604-Q606 PolarHBondContact O-N 2.86Å; T604-Q606 VanDerWaalsContact O-N 3.16Å; T604-Q607 PolarHBondContact O-N 2.73Å
605	D	88.1	Confident	95.2	Very high	24 Å²	24	22.8 Å²	22.8	13%	0.128	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-62.2	-21.1	-177	-62.7	44.2	0	0	0	113.4	W425 K488 P603	W425-D605 HydrophobicContact CZ2-CB 4.5Å; W425-D605 WeakPolarHBondContact CZ2-O 3.32Å; K488-D605 WeakPolarHBondContact CE-OD1 3.46Å; K488-D605 WeakPolarHBondContact CE-OD2 3.33Å; K488-D605 IonicContact NZ-OD1 3.68Å; K488-D605 IonicContact NZ-OD2 2.65Å; K488-D605 PolarHBondContact NZ-OD2 2.95Å; P603-D605 VanDerWaalsContact C-N 3.25Å; P603-D605 PolarHBondContact O-N 3.39Å; P603-D605 VanDerWaalsContact O-N 3.08Å
606	Q	90.4	Very high	95.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-92.8	2.2	-176	-71.3	169.8	73.1	0	0	113.4	N586 P603 T604 V608 H609 C610 W734	N586-Q606 VanDerWaalsContact CA-OE1 3.26Å; N586-Q606 PolarHBondContact ND2-OE1 3.19Å; P603-Q606 VanDerWaalsContact CD-NE2 3.29Å; P603-Q606 VanDerWaalsContact CG-NE2 3.3Å; P603-Q606 WeakPolarHBondContact O-CB 3.45Å; P603-Q606 PolarHBondContact O-N 3.5Å; T604-Q606 PolarHBondContact O-N 2.86Å; T604-Q606 VanDerWaalsContact O-N 3.16Å; Q606-V608 PolarHBondContact O-N 2.81Å; Q606-H609 PolarHBondContact O-N 2.8Å; Q606-C610 HydrophobicContact CB-CB 4.27Å; Q606-C610 WeakPolarHBondContact O-CB 3.39Å; Q606-C610 PolarHBondContact O-N 3.01Å; Q606-W734 VanDerWaalsContact CD-CD2 3.45Å; Q606-W734 VanDerWaalsContact CD-CE3 3.43Å; Q606-W734 HydrophobicContact CG-CD2 3.74Å; Q606-W734 HydrophobicContact CG-CE3 3.21Å; Q606-W734 HydrophobicContact CG-CH2 3.86Å; Q606-W734 HydrophobicContact CG-CZ2 4.31Å; Q606-W734 HydrophobicContact CG-CZ3 3.29Å
607	Q	93.7	Very high	95	Very high	22 Å²	22	23.5 Å²	23.5	10%	0.103	11%	0.108	C	C	.	.	H	α-helix	trans	-49.8	-53.1	-173.5	-166.8	-179.5	-20.6	0	0	112.7	H489 T542 F544 T604 W611 D628	H489-Q607 PolarHBondContact CD2-OE1 3.21Å; H489-Q607 VanDerWaalsContact CD2-OE1 3.29Å; T542-Q607 HydrophobicContact CG2-CB 4.24Å; T542-Q607 HydrophobicContact CG2-CG 4.16Å; T542-Q607 WeakPolarHBondContact OG1-CA 3.14Å; T542-Q607 WeakPolarHBondContact OG1-CB 3.48Å; T542-Q607 PolarHBondContact OG1-N 2.98Å; F544-Q607 WeakPolarHBondContact CZ-O 3.38Å; T604-Q607 PolarHBondContact O-N 2.73Å; Q607-W611 WeakPolarHBondContact O-CB 3.49Å; Q607-W611 PolarHBondContact O-N 3.19Å; Q607-D628 PolarHBondContact NE2-OD2 3.07Å
608	V	95.2	Very high	94.8	Very high	21 Å²	21	24 Å²	24	13%	0.127	11%	0.108	C	C	.	.	H	α-helix	trans	-82.5	-36.7	-177.7	174	0	0	0	0	112.3	P385 K430 Q606 S612	P385-V608 HydrophobicContact CB-CG1 3.59Å; P385-V608 HydrophobicContact CG-CG1 3.67Å; K430-V608 HydrophobicContact CB-CG1 4.15Å; K430-V608 WeakPolarHBondContact O-CB 3.34Å; Q606-V608 PolarHBondContact O-N 2.81Å; V608-S612 VanDerWaalsContact O-CB 3.3Å; V608-S612 WeakPolarHBondContact O-CB 3.31Å; V608-S612 PolarHBondContact O-N 2.9Å
609	H	94.4	Very high	94.5	Very high	11 Å²	11	27.1 Å²	27.1	5%	0.051	13%	0.129	C	C	.	.	H	α-helix	trans	-64.6	-49.9	178.7	179.9	88.7	0	0	0	112.2	W425 D428 K430 E585 Q606 S612 W613 W734	W425-H609 HydrophobicContact CH2-CB 3.89Å; W425-H609 HydrophobicContact CZ3-CB 3.78Å; W425-H609 AromaticContact CZ3-CG 3.88Å; W425-H609 AromaticContact CZ3-ND1 3.76Å; D428-H609 IonicContact OD2-ND1 2.74Å; K430-H609 HydrophobicContact CB-CB 4.31Å; E585-H609 PolarHBondContact O-CD2 2.95Å; E585-H609 PolarHBondContact O-NE2 2.8Å; E585-H609 IonicContact OE2-CE1 2.98Å; E585-H609 PolarHBondContact OE2-CE1 3.31Å; E585-H609 VanDerWaalsContact OE2-CE1 3.27Å; E585-H609 IonicContact OE2-NE2 2.8Å; E585-H609 PolarHBondContact OE2-NE2 3.42Å; Q606-H609 PolarHBondContact O-N 2.8Å; H609-S612 PolarHBondContact O-N 3.43Å; H609-W613 WeakPolarHBondContact O-CB 3.43Å; H609-W613 PolarHBondContact O-N 2.79Å; H609-W734 AromaticContact CD2-CH2 3.99Å; H609-W734 AromaticContact CD2-CZ2 3.88Å; H609-W734 AromaticContact NE2-CZ2 3.89Å
610	C	95.4	Very high	94	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-43.2	176.6	-178.3	0	0	0	0	111.8	F544 N586 Q606 S612 W613 I614	F544-C610 HydrophobicContact CE2-CB 3.98Å; N586-C610 PolarHBondContact ND2-SG 2.63Å; N586-C610 VanDerWaalsContact ND2-SG 3.39Å; Q606-C610 HydrophobicContact CB-CB 4.27Å; Q606-C610 WeakPolarHBondContact O-CB 3.39Å; Q606-C610 PolarHBondContact O-N 3.01Å; C610-S612 PolarHBondContact O-N 3.38Å; C610-W613 PolarHBondContact O-N 3.33Å; C610-I614 WeakPolarHBondContact O-CG1 3.48Å; C610-I614 PolarHBondContact O-N 3.27Å
611	W	96.1	Very high	93.7	Very high	80 Å²	80	37.1 Å²	37.1	30%	0.303	18%	0.182	S	C	.	.	H	α-helix	trans	-59.5	-46.3	175.3	-178.6	89.1	0	0	0	111.7	P385 F544 Q607 W613 K615	P385-W611 WeakPolarHBondContact O-CZ3 3.32Å; F544-W611 HydrophobicContact CE1-CB 4Å; F544-W611 AromaticContact CE1-CD1 3.95Å; F544-W611 HydrophobicContact CE1-CG 4.4Å; F544-W611 HydrophobicContact CZ-CB 3.84Å; Q607-W611 WeakPolarHBondContact O-CB 3.49Å; Q607-W611 PolarHBondContact O-N 3.19Å; W611-W613 PolarHBondContact O-N 3.35Å; W611-K615 HydrophobicContact CD2-CG 4.03Å; W611-K615 HydrophobicContact CE3-CG 4.35Å; W611-K615 HydrophobicContact CH2-CG 4.18Å; W611-K615 HydrophobicContact CZ2-CD 4.4Å; W611-K615 HydrophobicContact CZ2-CG 3.85Å; W611-K615 HydrophobicContact CZ3-CG 4.42Å; W611-K615 VanDerWaalsContact O-CB 3.29Å; W611-K615 WeakPolarHBondContact O-CB 3.48Å; W611-K615 WeakPolarHBondContact O-CG 3.42Å; W611-K615 PolarHBondContact O-N 2.86Å
612	S	95.1	Very high	93.4	Very high	11 Å²	11	41.7 Å²	41.7	8%	0.077	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-41.2	175.9	-177.2	0	0	0	0	111.7	K430 V608 H609 C610 K615 K616	K430-S612 PolarHBondContact NZ-OG 3.12Å; V608-S612 VanDerWaalsContact O-CB 3.3Å; V608-S612 WeakPolarHBondContact O-CB 3.31Å; V608-S612 PolarHBondContact O-N 2.9Å; H609-S612 PolarHBondContact O-N 3.43Å; C610-S612 PolarHBondContact O-N 3.38Å; S612-K615 PolarHBondContact O-N 2.91Å; S612-K616 WeakPolarHBondContact O-CB 3.29Å; S612-K616 PolarHBondContact O-N 3.24Å
613	W	95.6	Very high	93.3	Very high	35 Å²	35	46.1 Å²	46.1	13%	0.133	23%	0.233	C	C	.	.	H	α-helix	trans	-65.8	-46.3	179	-170.5	-106.4	0	0	0	112.9	L578 N579 E585 H609 C610 W611 K616 H617 L762	L578-W613 WeakPolarHBondContact O-CZ2 3.41Å; N579-W613 HydrophobicContact CB-CH2 4.19Å; N579-W613 HydrophobicContact CB-CZ2 4.48Å; E585-W613 HydrophobicContact CB-CD2 3.88Å; E585-W613 HydrophobicContact CB-CE3 4.3Å; E585-W613 HydrophobicContact CB-CG 4.15Å; E585-W613 HydrophobicContact CB-CZ2 4.35Å; E585-W613 HydrophobicContact CG-CD2 3.91Å; E585-W613 HydrophobicContact CG-CE3 3.97Å; E585-W613 HydrophobicContact CG-CH2 3.78Å; E585-W613 HydrophobicContact CG-CZ2 3.69Å; E585-W613 HydrophobicContact CG-CZ3 3.91Å; H609-W613 WeakPolarHBondContact O-CB 3.43Å; H609-W613 PolarHBondContact O-N 2.79Å; C610-W613 PolarHBondContact O-N 3.33Å; W611-W613 PolarHBondContact O-N 3.35Å; W613-K616 PolarHBondContact O-N 3.07Å; W613-H617 AromaticContact CD2-CE1 3.73Å; W613-H617 AromaticContact CE2-CE1 3.44Å; W613-H617 VanDerWaalsContact CE2-CE1 3.44Å; W613-H617 AromaticContact CE2-ND1 3.88Å; W613-H617 AromaticContact CE3-CE1 3.91Å; W613-H617 AromaticContact CH2-CE1 3.57Å; W613-H617 AromaticContact CZ2-CE1 3.37Å; W613-H617 WeakPolarHBondContact CZ2-CE1 3.28Å; W613-H617 AromaticContact CZ3-CE1 3.84Å; W613-H617 PolarHBondContact O-ND1 2.92Å; W613-L762 HydrophobicContact CH2-CD2 4.35Å; W613-L762 HydrophobicContact CZ2-CD2 3.62Å
614	I	96.6	Very high	93.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-46.6	175.9	-60.1	165.9	0	0	0	109.4	F544 L556 L560 M577 I600 C610 K616 H617 M618 L626	F544-I614 HydrophobicContact CD2-CD1 4.36Å; L556-I614 HydrophobicContact CD2-CG2 4.22Å; L560-I614 HydrophobicContact CD1-CG1 4.34Å; L560-I614 HydrophobicContact CD1-CG2 4.35Å; M577-I614 HydrophobicContact CE-CD1 4.02Å; M577-I614 HydrophobicContact CE-CG1 4.09Å; M577-I614 HydrophobicContact SD-CD1 4.46Å; M577-I614 HydrophobicContact SD-CG1 3.92Å; I600-I614 HydrophobicContact CD1-CD1 3.99Å; C610-I614 WeakPolarHBondContact O-CG1 3.48Å; C610-I614 PolarHBondContact O-N 3.27Å; I614-K616 VanDerWaalsContact C-N 3.33Å; I614-K616 PolarHBondContact O-N 2.65Å; I614-H617 PolarHBondContact O-N 2.99Å; I614-M618 WeakPolarHBondContact O-CB 3.19Å; I614-M618 PolarHBondContact O-N 3.47Å; I614-L626 HydrophobicContact CB-CD2 3.94Å; I614-L626 HydrophobicContact CD1-CD1 4.23Å; I614-L626 HydrophobicContact CD1-CD2 4.46Å; I614-L626 HydrophobicContact CG2-CD1 4.27Å; I614-L626 HydrophobicContact CG2-CD2 3.73Å
615	K	94.3	Very high	93.7	Very high	76 Å²	76	50.9 Å²	50.9	33%	0.33	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-37.8	179.5	-79.4	-66	-175	-173.8	0	113.6	W611 S612 H617 M618 L626	W611-K615 HydrophobicContact CD2-CG 4.03Å; W611-K615 HydrophobicContact CE3-CG 4.35Å; W611-K615 HydrophobicContact CH2-CG 4.18Å; W611-K615 HydrophobicContact CZ2-CD 4.4Å; W611-K615 HydrophobicContact CZ2-CG 3.85Å; W611-K615 HydrophobicContact CZ3-CG 4.42Å; W611-K615 VanDerWaalsContact O-CB 3.29Å; W611-K615 WeakPolarHBondContact O-CB 3.48Å; W611-K615 WeakPolarHBondContact O-CG 3.42Å; W611-K615 PolarHBondContact O-N 2.86Å; S612-K615 PolarHBondContact O-N 2.91Å; K615-H617 PolarHBondContact O-N 3.27Å; K615-M618 HydrophobicContact CD-SD 3.88Å; K615-M618 PolarHBondContact NZ-SD 2.92Å; K615-M618 VanDerWaalsContact NZ-SD 3.42Å; K615-M618 PolarHBondContact O-N 3.43Å; K615-L626 HydrophobicContact CD-CD2 4.36Å; K615-L626 HydrophobicContact CG-CD2 4.14Å
616	K	92.9	Very high	94.1	Very high	132 Å²	132	50.6 Å²	50.6	57%	0.574	25%	0.252	S	S	*	.	H	α-helix	trans	-60.2	-32.6	176.8	178.5	169.7	179.5	167	0	113.3	S612 W613 I614	S612-K616 WeakPolarHBondContact O-CB 3.29Å; S612-K616 PolarHBondContact O-N 3.24Å; W613-K616 PolarHBondContact O-N 3.07Å; I614-K616 VanDerWaalsContact C-N 3.33Å; I614-K616 PolarHBondContact O-N 2.65Å
617	H	94.9	Very high	94.4	Very high	46 Å²	46	54.4 Å²	54.4	21%	0.213	27%	0.271	C	S	.	.	H	α-helix	trans	-103.5	-4.1	-178.5	-59.2	94.1	0	0	0	113.4	L556 L560 W613 I614 K615	L556-H617 HydrophobicContact CD1-CB 4.24Å; L556-H617 VanDerWaalsContact CD1-O 3.27Å; L556-H617 WeakPolarHBondContact CD1-O 3.34Å; L560-H617 HydrophobicContact CD1-CB 4.45Å; L560-H617 HydrophobicContact CD2-CB 3.76Å; L560-H617 HydrophobicContact CG-CB 4.37Å; W613-H617 AromaticContact CD2-CE1 3.73Å; W613-H617 AromaticContact CE2-CE1 3.44Å; W613-H617 VanDerWaalsContact CE2-CE1 3.44Å; W613-H617 AromaticContact CE2-ND1 3.88Å; W613-H617 AromaticContact CE3-CE1 3.91Å; W613-H617 AromaticContact CH2-CE1 3.57Å; W613-H617 AromaticContact CZ2-CE1 3.37Å; W613-H617 WeakPolarHBondContact CZ2-CE1 3.28Å; W613-H617 AromaticContact CZ3-CE1 3.84Å; W613-H617 PolarHBondContact O-ND1 2.92Å; I614-H617 PolarHBondContact O-N 2.99Å; K615-H617 PolarHBondContact O-N 3.27Å
618	M	94.1	Very high	94.6	Very high	31 Å²	31	55.1 Å²	55.1	15%	0.153	28%	0.275	C	S	.	.			trans	-73.8	123.6	179.1	-178.4	173.9	167.9	0	0	109.3	L556 I614 K615 L624 L626	L556-M618 HydrophobicContact CD2-CB 4.13Å; L556-M618 HydrophobicContact CD2-CG 4.24Å; I614-M618 WeakPolarHBondContact O-CB 3.19Å; I614-M618 PolarHBondContact O-N 3.47Å; K615-M618 HydrophobicContact CD-SD 3.88Å; K615-M618 PolarHBondContact NZ-SD 2.92Å; K615-M618 VanDerWaalsContact NZ-SD 3.42Å; K615-M618 PolarHBondContact O-N 3.43Å; M618-L624 HydrophobicContact CE-CB 4.03Å; M618-L624 HydrophobicContact CE-CD2 4.22Å; M618-L624 HydrophobicContact CE-CG 3.84Å; M618-L624 WeakPolarHBondContact CE-O 3.3Å; M618-L624 HydrophobicContact CG-CD2 3.9Å; M618-L624 HydrophobicContact CG-CG 4.48Å; M618-L626 HydrophobicContact SD-CB 4.19Å
619	P	91.9	Very high	94.6	Very high	67 Å²	67	54.1 Å²	54.1	44%	0.435	27%	0.269	S	S	.	.			trans	-62.9	154.6	174.7	27.7	-35.1	0	0	0	110.5	D621 L624	P619-D621 HydrophobicContact CG-CB 4.38Å; P619-D621 PolarHBondContact O-N 3.09Å; P619-L624 HydrophobicContact CG-CD2 3.98Å
620	N	88.1	Confident	94.7	Very high	176 Å²	176	53.7 Å²	53.7	94%	0.941	27%	0.267	S	S	*	.	S	Bend	trans	-75.8	64.8	172.4	-170	25	0	0	0	110.8
621	D	91.2	Very high	94.5	Very high	34 Å²	34	61.1 Å²	61.1	18%	0.182	30%	0.295	C	S	.	.			trans	-107.3	117.7	179	-178.9	-1.1	0	0	0	109.7	Q552 P619 H623 L624	Q552-D621 WeakPolarHBondContact CG-OD2 3.32Å; Q552-D621 PolarHBondContact NE2-OD2 3.28Å; P619-D621 HydrophobicContact CG-CB 4.38Å; P619-D621 PolarHBondContact O-N 3.09Å; D621-H623 PolarHBondContact O-N 3.46Å; D621-H623 VanDerWaalsContact O-N 3.13Å; D621-H623 VanDerWaalsContact OD1-CB 3.29Å; D621-H623 WeakPolarHBondContact OD1-CB 2.95Å; D621-H623 IonicContact OD1-CD2 2.83Å; D621-H623 PolarHBondContact OD1-CD2 2.88Å; D621-H623 IonicContact OD1-CG 3.18Å; D621-H623 PolarHBondContact OD1-N 2.79Å; D621-L624 HydrophobicContact CB-CB 4.24Å; D621-L624 PolarHBondContact O-N 2.98Å
622	P	91	Very high	94.5	Very high	100 Å²	100	60 Å²	60	65%	0.649	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-8.2	176.9	30.6	-37.4	0	0	0	113.7	H625	P622-H625 PolarHBondContact O-CE1 3.31Å; P622-H625 PolarHBondContact O-NE2 3.1Å
623	H	93.9	Very high	94.5	Very high	93 Å²	93	60.8 Å²	60.8	43%	0.431	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	0.5	176.2	-62.3	-57.3	0	0	0	114.5	S548 T549 D621	S548-H623 WeakPolarHBondContact CA-O 3.11Å; T549-H623 HydrophobicContact CG2-CB 4.02Å; T549-H623 PolarHBondContact N-O 2.62Å; T549-H623 WeakPolarHBondContact OG1-CB 3.4Å; D621-H623 PolarHBondContact O-N 3.46Å; D621-H623 VanDerWaalsContact O-N 3.13Å; D621-H623 VanDerWaalsContact OD1-CB 3.29Å; D621-H623 WeakPolarHBondContact OD1-CB 2.95Å; D621-H623 IonicContact OD1-CD2 2.83Å; D621-H623 PolarHBondContact OD1-CD2 2.88Å; D621-H623 IonicContact OD1-CG 3.18Å; D621-H623 PolarHBondContact OD1-N 2.79Å
624	L	97.1	Very high	94.6	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.016	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.1	177.3	-175.5	62.5	0	0	0	109.3	L546 Q552 A553 L556 M618 P619 D621	L546-L624 HydrophobicContact CD1-CD1 3.97Å; L546-L624 HydrophobicContact CD1-CG 4.37Å; L546-L624 HydrophobicContact CG-CD1 4.2Å; Q552-L624 HydrophobicContact CB-CD1 4.29Å; Q552-L624 HydrophobicContact CB-CD2 4.48Å; A553-L624 HydrophobicContact CB-CD1 3.77Å; L556-L624 HydrophobicContact CD2-CD2 3.92Å; M618-L624 HydrophobicContact CE-CB 4.03Å; M618-L624 HydrophobicContact CE-CD2 4.22Å; M618-L624 HydrophobicContact CE-CG 3.84Å; M618-L624 WeakPolarHBondContact CE-O 3.3Å; M618-L624 HydrophobicContact CG-CD2 3.9Å; M618-L624 HydrophobicContact CG-CG 4.48Å; P619-L624 HydrophobicContact CG-CD2 3.98Å; D621-L624 HydrophobicContact CB-CB 4.24Å; D621-L624 PolarHBondContact O-N 2.98Å
625	H	97.2	Very high	94.7	Very high	106 Å²	106	59.1 Å²	59.1	49%	0.491	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124	-174.3	-54.3	-56.6	0	0	0	111.2	L546 T547 P622	L546-H625 CarbonylContact C-O 3.54Å; L546-H625 WeakPolarHBondContact CA-O 3.42Å; T547-H625 PolarHBondContact N-O 2.65Å; T547-H625 PolarHBondContact O-N 3.5Å; P622-H625 PolarHBondContact O-CE1 3.31Å; P622-H625 PolarHBondContact O-NE2 3.1Å
626	L	97.3	Very high	94.9	Very high	18 Å²	18	55.6 Å²	55.6	9%	0.094	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.6	171.4	178.5	72.7	0	0	0	108.9	F544 E545 L546 I614 K615 M618	F544-L626 HydrophobicContact CB-CD1 3.83Å; F544-L626 HydrophobicContact CD1-CD1 4.44Å; F544-L626 HydrophobicContact CG-CD1 4.2Å; E545-L626 WeakPolarHBondContact O-CA 3.47Å; L546-L626 HydrophobicContact CB-CD1 4.36Å; L546-L626 HydrophobicContact CD1-CB 3.91Å; L546-L626 HydrophobicContact CD1-CD1 4.02Å; I614-L626 HydrophobicContact CB-CD2 3.94Å; I614-L626 HydrophobicContact CD1-CD1 4.23Å; I614-L626 HydrophobicContact CD1-CD2 4.46Å; I614-L626 HydrophobicContact CG2-CD1 4.27Å; I614-L626 HydrophobicContact CG2-CD2 3.73Å; K615-L626 HydrophobicContact CD-CD2 4.36Å; K615-L626 HydrophobicContact CG-CD2 4.14Å; M618-L626 HydrophobicContact SD-CB 4.19Å
627	E	97.4	Very high	95.1	Very high	81 Å²	81	49.3 Å²	49.3	38%	0.379	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.5	176.1	-167.9	-174.5	-169.8	0	0	111.4	F544 E545 V629 K632	F544-E627 VanDerWaalsContact CA-O 3.24Å; F544-E627 WeakPolarHBondContact CA-O 3.17Å; E545-E627 PolarHBondContact N-O 2.87Å; E545-E627 PolarHBondContact O-N 3.07Å; E627-V629 HydrophobicContact CB-CG1 4.14Å; E627-V629 HydrophobicContact CG-CG1 3.92Å; E627-V629 PolarHBondContact O-N 3.49Å; E627-V629 WeakPolarHBondContact OE2-CG1 3.41Å; E627-K632 WeakPolarHBondContact OE1-CE 3.34Å; E627-K632 IonicContact OE1-NZ 2.85Å; E627-K632 PolarHBondContact OE1-NZ 3.15Å; E627-K632 IonicContact OE2-NZ 3.88Å; E627-K632 PolarHBondContact OE2-NZ 3.24Å
628	D	96.1	Very high	95.2	Very high	37 Å²	37	47.1 Å²	47.1	20%	0.198	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	106	165.5	-171.6	-18.2	0	0	0	109.9	F544 Q607 S630 W631	F544-D628 HydrophobicContact CD1-CB 3.98Å; F544-D628 HydrophobicContact CE1-CB 3.83Å; Q607-D628 PolarHBondContact NE2-OD2 3.07Å; D628-S630 WeakPolarHBondContact OD1-CB 3.39Å; D628-S630 PolarHBondContact OD1-N 3.32Å; D628-S630 PolarHBondContact OD1-OG 3.45Å; D628-W631 PolarHBondContact O-NE1 3.1Å
629	V	96.9	Very high	95.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.			trans	-105.1	16.4	180	-57.6	0	0	0	0	111.8	K543 E545 F599 E627 W631 K632 Y633	K543-V629 HydrophobicContact CB-CG2 3.94Å; K543-V629 CarbonylContact O-C 3.41Å; K543-V629 WeakPolarHBondContact O-CG2 3.11Å; K543-V629 PolarHBondContact O-N 2.81Å; E545-V629 HydrophobicContact CB-CG1 4.2Å; E545-V629 HydrophobicContact CB-CG2 4.47Å; E545-V629 HydrophobicContact CG-CG1 4.19Å; E545-V629 HydrophobicContact CG-CG2 3.88Å; F599-V629 HydrophobicContact CD2-CG2 4.38Å; F599-V629 HydrophobicContact CE2-CG2 3.77Å; E627-V629 HydrophobicContact CB-CG1 4.14Å; E627-V629 HydrophobicContact CG-CG1 3.92Å; E627-V629 PolarHBondContact O-N 3.49Å; E627-V629 WeakPolarHBondContact OE2-CG1 3.41Å; V629-W631 PolarHBondContact O-N 3.2Å; V629-K632 HydrophobicContact CB-CB 4.22Å; V629-K632 HydrophobicContact CB-CD 3.92Å; V629-K632 HydrophobicContact CB-CG 4.1Å; V629-K632 HydrophobicContact CG1-CD 3.78Å; V629-K632 HydrophobicContact CG1-CG 4.45Å; V629-K632 PolarHBondContact O-N 3.28Å; V629-Y633 HydrophobicContact CB-CD2 4.33Å; V629-Y633 HydrophobicContact CB-CE2 4.08Å; V629-Y633 HydrophobicContact CG2-CD2 4.11Å; V629-Y633 HydrophobicContact CG2-CE2 3.87Å
630	S	94.9	Very high	95.4	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.014	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.9	-178.4	-56.4	0	0	0	0	113.1	K543 D628	K543-S630 PolarHBondContact N-OG 3.46Å; K543-S630 PolarHBondContact NZ-O 3.17Å; K543-S630 PolarHBondContact O-N 3.34Å; K543-S630 PolarHBondContact O-OG 3.46Å; D628-S630 WeakPolarHBondContact OD1-CB 3.39Å; D628-S630 PolarHBondContact OD1-N 3.32Å; D628-S630 PolarHBondContact OD1-OG 3.45Å
631	W	91.4	Very high	95.7	Very high	155 Å²	155	36.5 Å²	36.5	59%	0.587	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-16.2	178.4	60.1	-86.4	0	0	0	114.3	D628 V629 I695	D628-W631 PolarHBondContact O-NE1 3.1Å; V629-W631 PolarHBondContact O-N 3.2Å; W631-I695 WeakPolarHBondContact O-CG2 3.18Å
632	K	95.7	Very high	95.9	Very high	58 Å²	58	39.4 Å²	39.4	25%	0.252	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-20.3	179.5	-62.2	-170.6	-174.1	174.8	0	113.3	E627 V629 P694 I695	E627-K632 WeakPolarHBondContact OE1-CE 3.34Å; E627-K632 IonicContact OE1-NZ 2.85Å; E627-K632 PolarHBondContact OE1-NZ 3.15Å; E627-K632 IonicContact OE2-NZ 3.88Å; E627-K632 PolarHBondContact OE2-NZ 3.24Å; V629-K632 HydrophobicContact CB-CB 4.22Å; V629-K632 HydrophobicContact CB-CD 3.92Å; V629-K632 HydrophobicContact CB-CG 4.1Å; V629-K632 HydrophobicContact CG1-CD 3.78Å; V629-K632 HydrophobicContact CG1-CG 4.45Å; V629-K632 PolarHBondContact O-N 3.28Å; K632-P694 WeakPolarHBondContact O-CA 3.38Å; K632-I695 WeakPolarHBondContact O-CG2 3.41Å; K632-I695 PolarHBondContact O-N 3.38Å
633	Y	96.9	Very high	96.1	Very high	26 Å²	26	34.7 Å²	34.7	10%	0.102	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	126.5	-173.6	-58.7	-83.8	0	0	0	113.2	K543 E545 F599 V629 R677 I693 P694	K543-Y633 HydrophobicContact CD-CD2 4.33Å; K543-Y633 VanDerWaalsContact CE-O 3.26Å; K543-Y633 WeakPolarHBondContact CE-O 3.39Å; K543-Y633 PolarHBondContact NZ-O 3.32Å; E545-Y633 PolarHBondContact OE1-OH 3.05Å; F599-Y633 HydrophobicContact CE2-CD2 4.12Å; F599-Y633 AromaticContact CE2-CE2 3.94Å; F599-Y633 HydrophobicContact CE2-CE2 3.94Å; F599-Y633 HydrophobicContact CZ-CD2 4.26Å; F599-Y633 HydrophobicContact CZ-CE2 4.45Å; V629-Y633 HydrophobicContact CB-CD2 4.33Å; V629-Y633 HydrophobicContact CB-CE2 4.08Å; V629-Y633 HydrophobicContact CG2-CD2 4.11Å; V629-Y633 HydrophobicContact CG2-CE2 3.87Å; Y633-R677 PolarHBondContact OH-NH1 3.26Å; Y633-R677 PolarHBondContact OH-NH2 2.84Å; Y633-I693 CarbonylContact C-O 3.6Å; Y633-I693 WeakPolarHBondContact CA-O 3.4Å; Y633-P694 HydrophobicContact CE1-CG 4.27Å
634	T	97.6	Very high	96	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138.9	155.2	-58.5	0	0	0	0	107.9	P473 L474 S539 L636 I693 A698	P473-T634 VanDerWaalsContact CD-OG1 3.28Å; P473-T634 WeakPolarHBondContact CD-OG1 3.29Å; L474-T634 HydrophobicContact CD1-CG2 4.5Å; S539-T634 WeakPolarHBondContact OG-CA 3.5Å; S539-T634 VanDerWaalsContact OG-CG2 3.29Å; S539-T634 WeakPolarHBondContact OG-CG2 3.39Å; T634-L636 HydrophobicContact CG2-CD2 3.97Å; T634-L636 HydrophobicContact CG2-CG 4.24Å; T634-I693 PolarHBondContact N-O 2.91Å; T634-I693 PolarHBondContact O-N 2.79Å; T634-A698 HydrophobicContact CG2-CB 4Å; T634-A698 WeakPolarHBondContact OG1-CB 3.37Å
635	A	97.5	Very high	95.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	116.1	179.1	0	0	0	0	0	110.2	M538 S539 M690 L691 Y692	M538-A635 CarbonylContact C-O 3.57Å; M538-A635 WeakPolarHBondContact CA-O 3.17Å; M538-A635 PolarHBondContact N-O 2.77Å; S539-A635 PolarHBondContact N-O 2.95Å; S539-A635 PolarHBondContact OG-N 3.32Å; A635-M690 HydrophobicContact CB-CE 4.09Å; A635-L691 CarbonylContact C-O 3.56Å; A635-L691 VanDerWaalsContact CA-O 3.31Å; A635-L691 WeakPolarHBondContact CA-O 3.49Å; A635-Y692 HydrophobicContact CB-CD1 3.77Å; A635-Y692 HydrophobicContact CB-CE1 3.61Å
636	L	97.9	Very high	95.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.4	-179.6	-55.7	-177.3	0	0	0	110.3	L474 V535 D537 T634 L691 I693 Y702	L474-L636 HydrophobicContact CD1-CD1 4.31Å; L474-L636 HydrophobicContact CD1-CD2 3.59Å; V535-L636 HydrophobicContact CG1-CB 4.14Å; V535-L636 HydrophobicContact CG1-CD1 4.32Å; V535-L636 HydrophobicContact CG1-CD2 4.24Å; V535-L636 HydrophobicContact CG1-CG 4.46Å; D537-L636 HydrophobicContact CB-CD2 4.43Å; T634-L636 HydrophobicContact CG2-CD2 3.97Å; T634-L636 HydrophobicContact CG2-CG 4.24Å; L636-L691 HydrophobicContact CB-CB 4.34Å; L636-L691 PolarHBondContact N-O 2.95Å; L636-L691 PolarHBondContact O-N 2.86Å; L636-I693 HydrophobicContact CB-CD1 4.49Å; L636-I693 HydrophobicContact CD1-CD1 3.65Å; L636-I693 HydrophobicContact CG-CD1 3.91Å; L636-Y702 HydrophobicContact CD1-CD2 4.22Å
637	N	97.4	Very high	95.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	102.7	174.2	-168	14.4	0	0	0	108.5	V535 I536 M538 I639 M690	V535-N637 WeakPolarHBondContact CA-O 3.41Å; I536-N637 HydrophobicContact CB-CB 4.24Å; I536-N637 PolarHBondContact N-O 3.4Å; I536-N637 PolarHBondContact O-N 3.13Å; M538-N637 HydrophobicContact CG-CB 4.04Å; M538-N637 HydrophobicContact SD-CB 3.5Å; M538-N637 VanDerWaalsContact SD-CB 3.5Å; M538-N637 PolarHBondContact SD-ND2 3.3Å; M538-N637 VanDerWaalsContact SD-ND2 3.36Å; N637-I639 HydrophobicContact CB-CG2 4.36Å; N637-I639 WeakPolarHBondContact OD1-CG2 3.2Å; N637-M690 HydrophobicContact CB-SD 3.38Å; N637-M690 WeakPolarHBondContact CB-SD 3.42Å
638	L	97.3	Very high	95.4	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	103.3	177.6	-177.3	71.1	0	0	0	108.6	V533 C534 V535 A643 V646 L647 G688 F689 V705 I714	V533-L638 HydrophobicContact CG2-CD1 3.5Å; V533-L638 VanDerWaalsContact CG2-CD1 3.5Å; V533-L638 HydrophobicContact CG2-CG 4.08Å; C534-L638 CarbonylContact O-C 3.48Å; C534-L638 WeakPolarHBondContact O-CA 3.42Å; V535-L638 HydrophobicContact CG2-CD1 3.84Å; L638-A643 HydrophobicContact CD2-CB 4.22Å; L638-A643 HydrophobicContact CG-CB 3.92Å; L638-V646 HydrophobicContact CD2-CB 4.39Å; L638-V646 HydrophobicContact CD2-CG1 4.32Å; L638-L647 HydrophobicContact CD2-CD1 4.08Å; L638-L647 HydrophobicContact CD2-CD2 3.9Å; L638-L647 HydrophobicContact CD2-CG 3.64Å; L638-G688 CarbonylContact O-C 3.3Å; L638-G688 WeakPolarHBondContact O-CA 3.39Å; L638-F689 PolarHBondContact N-O 3.12Å; L638-F689 PolarHBondContact O-N 3.19Å; L638-V705 HydrophobicContact CD1-CG1 3.8Å; L638-I714 HydrophobicContact CD1-CD1 3.92Å
639	I	95.7	Very high	95.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	149.4	-167.7	60.3	-179.2	0	0	0	112.5	C529 V533 C534 I536 N637 T682 T684 L725	C529-I639 HydrophobicContact CB-CD1 3.92Å; C529-I639 HydrophobicContact CB-CG1 4.3Å; C529-I639 WeakPolarHBondContact SG-CD1 3.33Å; V533-I639 CarbonylContact C-O 3.44Å; V533-I639 VanDerWaalsContact CA-O 3.22Å; V533-I639 WeakPolarHBondContact CA-O 3.32Å; C534-I639 HydrophobicContact CB-CD1 4.35Å; C534-I639 HydrophobicContact CB-CG1 3.87Å; C534-I639 PolarHBondContact N-O 2.91Å; C534-I639 PolarHBondContact O-N 3.16Å; I536-I639 HydrophobicContact CD1-CD1 3.6Å; I536-I639 HydrophobicContact CG1-CD1 3.92Å; N637-I639 HydrophobicContact CB-CG2 4.36Å; N637-I639 WeakPolarHBondContact OD1-CG2 3.2Å; I639-T682 HydrophobicContact CG2-CG2 3.86Å; I639-T684 HydrophobicContact CD1-CG2 3.84Å; I639-T684 HydrophobicContact CG2-CG2 4.38Å; I639-L725 HydrophobicContact CD1-CD1 4.26Å
640	G	94.6	Very high	95.2	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	16%	0.157	C	C	.	.	S	Bend	trans	116	162.9	175.6	0	0	0	0	0	113.3	C529 A532 R642 A643 P687	C529-G640 WeakPolarHBondContact O-CA 3.43Å; A532-G640 CarbonylContact O-C 3.58Å; G640-R642 PolarHBondContact O-N 2.99Å; G640-R642 VanDerWaalsContact O-N 3.08Å; G640-A643 WeakPolarHBondContact O-CB 3.42Å; G640-A643 PolarHBondContact O-N 2.93Å; G640-P687 PolarHBondContact N-O 2.88Å
641	P	94.1	Very high	94.9	Very high	49 Å²	49	32.9 Å²	32.9	32%	0.318	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.5	-174.1	23.9	-36.1	0	0	0	114.1	K530 A532	K530-P641 VanDerWaalsContact O-CD 3.23Å; K530-P641 WeakPolarHBondContact O-CD 3.33Å; K530-P641 WeakPolarHBondContact O-CG 3.44Å; A532-P641 WeakPolarHBondContact O-CD 3.38Å
642	R	95.8	Very high	94.5	Very high	96 Å²	96	37 Å²	37	36%	0.362	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	2	178.7	-44.9	-51.8	-55.5	-95.7	6.5	114.1	A532 V533 G640 M644 D645 V646 Y712	A532-R642 PolarHBondContact O-N 2.79Å; V533-R642 HydrophobicContact CB-CB 4.05Å; V533-R642 HydrophobicContact CG1-CB 4Å; G640-R642 PolarHBondContact O-N 2.99Å; G640-R642 VanDerWaalsContact O-N 3.08Å; R642-M644 VanDerWaalsContact C-N 3.29Å; R642-M644 PolarHBondContact O-N 3.49Å; R642-D645 IonicContact CZ-OD2 3.49Å; R642-D645 IonicContact NE-OD2 3.17Å; R642-D645 PolarHBondContact NE-OD2 2.99Å; R642-D645 IonicContact NH2-OD2 3.36Å; R642-D645 PolarHBondContact NH2-OD2 3.46Å; R642-D645 PolarHBondContact O-N 3.44Å; R642-V646 PolarHBondContact O-N 3.37Å; R642-Y712 HydrophobicContact CB-CD1 4.45Å; R642-Y712 HydrophobicContact CB-CG 4.31Å
643	A	94.7	Very high	94	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-35.7	-178.6	0	0	0	0	0	113.4	V533 L638 G640 L647 F689	V533-A643 HydrophobicContact CG2-CB 4.16Å; L638-A643 HydrophobicContact CD2-CB 4.22Å; L638-A643 HydrophobicContact CG-CB 3.92Å; G640-A643 WeakPolarHBondContact O-CB 3.42Å; G640-A643 PolarHBondContact O-N 2.93Å; A643-L647 PolarHBondContact O-N 3.01Å; A643-F689 HydrophobicContact CB-CD2 4.36Å
644	M	92.5	Very high	93.3	Very high	82 Å²	82	37 Å²	37	40%	0.404	19%	0.185	S	C	.	.	H	α-helix	trans	-67	-41.5	176.3	-177.4	175.7	-78.4	0	0	112.1	R642 V646 L647 A648 M655 F689	R642-M644 VanDerWaalsContact C-N 3.29Å; R642-M644 PolarHBondContact O-N 3.49Å; M644-V646 VanDerWaalsContact C-N 3.31Å; M644-V646 PolarHBondContact O-N 2.71Å; M644-L647 PolarHBondContact O-N 2.81Å; M644-A648 VanDerWaalsContact O-CB 3.31Å; M644-A648 WeakPolarHBondContact O-CB 3.24Å; M644-A648 PolarHBondContact O-N 2.83Å; M644-M655 VanDerWaalsContact CE-O 3.28Å; M644-M655 WeakPolarHBondContact CE-O 3.42Å; M644-M655 HydrophobicContact CG-CB 3.98Å; M644-M655 HydrophobicContact SD-CB 4.44Å; M644-F689 HydrophobicContact CB-CE2 4.19Å; M644-F689 HydrophobicContact CE-CZ 4.23Å
645	D	93.9	Very high	92.5	Very high	53 Å²	53	37.4 Å²	37.4	28%	0.283	19%	0.187	S	C	.	.	H	α-helix	trans	-62.4	-40.2	179.2	-58.7	-33.1	0	0	0	111.4	R642 A648 E649 Y712	R642-D645 IonicContact CZ-OD2 3.49Å; R642-D645 IonicContact NE-OD2 3.17Å; R642-D645 PolarHBondContact NE-OD2 2.99Å; R642-D645 IonicContact NH2-OD2 3.36Å; R642-D645 PolarHBondContact NH2-OD2 3.46Å; R642-D645 PolarHBondContact O-N 3.44Å; D645-A648 PolarHBondContact O-N 2.84Å; D645-E649 PolarHBondContact O-N 2.98Å; D645-Y712 HydrophobicContact CB-CD1 4.47Å; D645-Y712 HydrophobicContact CB-CD2 4.43Å; D645-Y712 HydrophobicContact CB-CE1 4.02Å; D645-Y712 HydrophobicContact CB-CE2 3.95Å
646	V	95.3	Very high	91.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-46.8	175.8	176.5	0	0	0	0	111.6	V533 L638 R642 M644 L650 V705 V708 Y712	V533-V646 HydrophobicContact CG1-CG2 4.13Å; V533-V646 HydrophobicContact CG2-CG2 4.42Å; L638-V646 HydrophobicContact CD2-CB 4.39Å; L638-V646 HydrophobicContact CD2-CG1 4.32Å; R642-V646 PolarHBondContact O-N 3.37Å; M644-V646 VanDerWaalsContact C-N 3.31Å; M644-V646 PolarHBondContact O-N 2.71Å; V646-L650 HydrophobicContact CG1-CD1 3.91Å; V646-L650 WeakPolarHBondContact O-CD1 3.41Å; V646-L650 WeakPolarHBondContact O-CG 3.4Å; V646-L650 PolarHBondContact O-N 3.27Å; V646-V705 HydrophobicContact CG1-CG1 4.22Å; V646-V708 HydrophobicContact CG1-CG1 4.45Å; V646-Y712 HydrophobicContact CG2-CD2 3.71Å; V646-Y712 HydrophobicContact CG2-CE2 4.47Å; V646-Y712 HydrophobicContact CG2-CG 4.41Å
647	L	93.9	Very high	90.8	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-73.6	-31.6	-179.4	-69.5	-178.2	0	0	0	113.5	L638 A643 M644 E649 L650 S651 M655 V670 V678 F689 L691	L638-L647 HydrophobicContact CD2-CD1 4.08Å; L638-L647 HydrophobicContact CD2-CD2 3.9Å; L638-L647 HydrophobicContact CD2-CG 3.64Å; A643-L647 PolarHBondContact O-N 3.01Å; M644-L647 PolarHBondContact O-N 2.81Å; L647-E649 PolarHBondContact O-N 2.84Å; L647-L650 PolarHBondContact O-N 3.45Å; L647-S651 PolarHBondContact O-N 3.47Å; L647-S651 VanDerWaalsContact O-N 3.08Å; L647-M655 HydrophobicContact CB-CE 3.92Å; L647-M655 HydrophobicContact CB-SD 4.47Å; L647-V670 HydrophobicContact CD2-CG1 4.26Å; L647-V678 HydrophobicContact CD1-CG1 4.05Å; L647-F689 HydrophobicContact CD1-CB 3.88Å; L647-F689 HydrophobicContact CD1-CD1 4.16Å; L647-F689 HydrophobicContact CD1-CD2 3.39Å; L647-F689 HydrophobicContact CD1-CE2 3.91Å; L647-F689 HydrophobicContact CD1-CG 3.54Å; L647-F689 HydrophobicContact CD1-CZ 4.48Å; L647-F689 HydrophobicContact CG-CD2 4.47Å; L647-L691 HydrophobicContact CD1-CD2 4.21Å; L647-L691 HydrophobicContact CD2-CD1 4.36Å; L647-L691 HydrophobicContact CD2-CD2 4.15Å
648	A	92.7	Very high	90	Very high	51 Å²	51	51.6 Å²	51.6	42%	0.421	27%	0.265	S	S	.	.	H	α-helix	trans	-66.7	-22.8	178.4	0	0	0	0	0	113.2	M644 D645 M655	M644-A648 VanDerWaalsContact O-CB 3.31Å; M644-A648 WeakPolarHBondContact O-CB 3.24Å; M644-A648 PolarHBondContact O-N 2.83Å; D645-A648 PolarHBondContact O-N 2.84Å; A648-M655 HydrophobicContact CB-CG 4.23Å
649	E	94.5	Very high	89.1	Confident	94 Å²	94	56.5 Å²	56.5	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-89.5	-24.8	172	-72.8	-170.6	-143.7	0	0	113.6	D645 L647 S651 V708 K711 Y712	D645-E649 PolarHBondContact O-N 2.98Å; L647-E649 PolarHBondContact O-N 2.84Å; E649-S651 VanDerWaalsContact C-N 3.34Å; E649-V708 HydrophobicContact CB-CG1 3.84Å; E649-K711 WeakPolarHBondContact OE1-CE 3.34Å; E649-K711 IonicContact OE1-NZ 3.5Å; E649-K711 PolarHBondContact OE1-NZ 2.83Å; E649-K711 WeakPolarHBondContact OE2-CE 3.03Å; E649-K711 IonicContact OE2-NZ 3.7Å; E649-K711 PolarHBondContact OE2-NZ 3.03Å; E649-Y712 PolarHBondContact OE1-OH 2.83Å
650	L	93.9	Very high	88.5	Confident	12 Å²	12	56.9 Å²	56.9	6%	0.063	29%	0.289	C	S	.	.	H	α-helix	trans	-88	-3.2	178.7	-70.2	170.3	0	0	0	113.3	V646 L647 V670 G671 E704 V705 V708	V646-L650 HydrophobicContact CG1-CD1 3.91Å; V646-L650 WeakPolarHBondContact O-CD1 3.41Å; V646-L650 WeakPolarHBondContact O-CG 3.4Å; V646-L650 PolarHBondContact O-N 3.27Å; L647-L650 PolarHBondContact O-N 3.45Å; L650-V670 HydrophobicContact CB-CG1 4.02Å; L650-V670 HydrophobicContact CD1-CG1 4.27Å; L650-V670 WeakPolarHBondContact O-CA 3.19Å; L650-G671 PolarHBondContact O-N 2.78Å; L650-E704 HydrophobicContact CD2-CB 3.79Å; L650-V705 HydrophobicContact CD1-CB 4.27Å; L650-V705 HydrophobicContact CD1-CG2 3.66Å; L650-V708 HydrophobicContact CD1-CB 4.36Å; L650-V708 HydrophobicContact CD2-CB 4.3Å; L650-V708 HydrophobicContact CD2-CG2 3.61Å; L650-V708 HydrophobicContact CG-CB 4.26Å; L650-V708 HydrophobicContact CG-CG1 4.4Å; L650-V708 HydrophobicContact CG-CG2 4.03Å
651	S	89.4	Confident	88.2	Confident	8 Å²	8	59 Å²	59	6%	0.056	30%	0.303	C	S	.	.			trans	-150.8	143.4	178.9	-159.6	0	0	0	0	112.8	L647 E649 V653 M668 S669	L647-S651 PolarHBondContact O-N 3.47Å; L647-S651 VanDerWaalsContact O-N 3.08Å; E649-S651 VanDerWaalsContact C-N 3.34Å; S651-V653 PolarHBondContact O-N 2.87Å; S651-V653 PolarHBondContact OG-N 3.24Å; S651-M668 WeakPolarHBondContact OG-CE 3.19Å; S651-S669 WeakPolarHBondContact CB-O 3.37Å; S651-S669 PolarHBondContact OG-O 3.02Å
652	Y	84.1	Confident	88	Confident	241 Å²	241	61.4 Å²	61.4	95%	0.945	32%	0.321	S	S	*	.	S	Bend	trans	-79.3	0.7	172.7	-61.7	-80.4	0	0	0	113.2
653	V	83.5	Confident	87.9	Confident	35 Å²	35	59.6 Å²	59.6	21%	0.212	32%	0.317	C	S	.	.	S	Bend	trans	-76.2	125.8	175.4	179.4	0	0	0	0	109.9	S651 M655 K666 M668	S651-V653 PolarHBondContact O-N 2.87Å; S651-V653 PolarHBondContact OG-N 3.24Å; V653-M655 PolarHBondContact O-N 2.85Å; V653-K666 HydrophobicContact CG1-CD 4.11Å; V653-M668 HydrophobicContact CB-CE 4.23Å; V653-M668 HydrophobicContact CB-SD 4.29Å; V653-M668 HydrophobicContact CG1-SD 4.37Å; V653-M668 HydrophobicContact CG2-CB 3.96Å; V653-M668 HydrophobicContact CG2-CE 4.37Å; V653-M668 HydrophobicContact CG2-SD 4.38Å
654	S	83.8	Confident	88	Confident	49 Å²	49	61.2 Å²	61.2	34%	0.343	32%	0.324	S	S	.	.			trans	-56.8	120.2	173.5	-176.9	0	0	0	0	111.2	T656 H659	S654-T656 VanDerWaalsContact C-N 3.27Å; S654-T656 PolarHBondContact O-N 2.65Å; S654-T656 WeakPolarHBondContact OG-CG2 3.41Å; S654-T656 PolarHBondContact OG-OG1 3.18Å; S654-H659 VanDerWaalsContact O-CB 3.27Å; S654-H659 WeakPolarHBondContact O-CB 3.37Å
655	M	81	Confident	88.1	Confident	11 Å²	11	57.7 Å²	57.7	5%	0.054	31%	0.307	C	S	.	.			trans	-90.1	15.2	178	-64.5	-66.4	169.8	0	0	113	M644 L647 A648 V653 F660 M668	M644-M655 VanDerWaalsContact CE-O 3.28Å; M644-M655 WeakPolarHBondContact CE-O 3.42Å; M644-M655 HydrophobicContact CG-CB 3.98Å; M644-M655 HydrophobicContact SD-CB 4.44Å; L647-M655 HydrophobicContact CB-CE 3.92Å; L647-M655 HydrophobicContact CB-SD 4.47Å; A648-M655 HydrophobicContact CB-CG 4.23Å; V653-M655 PolarHBondContact O-N 2.85Å; M655-F660 HydrophobicContact SD-CD2 4.28Å; M655-F660 HydrophobicContact SD-CG 4.47Å; M655-M668 HydrophobicContact CE-CE 3.34Å; M655-M668 HydrophobicContact CE-SD 3.95Å
656	T	79.6	Confident	88.1	Confident	54 Å²	54	58.4 Å²	58.4	33%	0.331	31%	0.308	S	S	.	.	S	Bend	trans	-67.9	149.5	178.9	51.2	0	0	0	0	111.3	S654 E658 H659 F660	S654-T656 VanDerWaalsContact C-N 3.27Å; S654-T656 PolarHBondContact O-N 2.65Å; S654-T656 WeakPolarHBondContact OG-CG2 3.41Å; S654-T656 PolarHBondContact OG-OG1 3.18Å; T656-E658 WeakPolarHBondContact CB-OE2 3.36Å; T656-E658 PolarHBondContact O-N 3.39Å; T656-H659 PolarHBondContact O-N 2.98Å; T656-H659 PolarHBondContact OG1-ND1 3.47Å; T656-F660 PolarHBondContact O-N 3.04Å
657	P	78.8	Confident	88.1	Confident	89 Å²	89	64.3 Å²	64.3	58%	0.578	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-28.1	-179.4	-27.3	36	0	0	0	114.5	P661	P657-P661 WeakPolarHBondContact O-CA 3.28Å
658	E	81.1	Confident	88.1	Confident	155 Å²	155	64.9 Å²	64.9	72%	0.724	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-32.9	176.7	-60.2	71.7	-157	0	0	112.6	T656	T656-E658 WeakPolarHBondContact CB-OE2 3.36Å; T656-E658 PolarHBondContact O-N 3.39Å
659	H	78.5	Confident	88.2	Confident	104 Å²	104	64 Å²	64	48%	0.481	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-19.6	-179.3	-69.2	82.1	0	0	0	113.3	S654 T656	S654-H659 VanDerWaalsContact O-CB 3.27Å; S654-H659 WeakPolarHBondContact O-CB 3.37Å; T656-H659 PolarHBondContact O-N 2.98Å; T656-H659 PolarHBondContact OG1-ND1 3.47Å
660	F	83.1	Confident	88.2	Confident	8 Å²	8	59.5 Å²	59.5	4%	0.035	31%	0.308	C	S	.	.	S	Bend	trans	-143.6	67	-176	-140.6	-79.8	0	0	0	111	M655 T656 K666 M668 V678 F689	M655-F660 HydrophobicContact SD-CD2 4.28Å; M655-F660 HydrophobicContact SD-CG 4.47Å; T656-F660 PolarHBondContact O-N 3.04Å; F660-K666 HydrophobicContact CD2-CB 4.48Å; F660-K666 HydrophobicContact CD2-CD 4.34Å; F660-K666 HydrophobicContact CE2-CB 3.64Å; F660-K666 HydrophobicContact CE2-CD 4.14Å; F660-K666 HydrophobicContact CZ-CB 4.16Å; F660-M668 HydrophobicContact CE2-SD 3.94Å; F660-V678 HydrophobicContact CE1-CG1 4.2Å; F660-V678 HydrophobicContact CE2-CG1 4.37Å; F660-V678 HydrophobicContact CZ-CB 3.9Å; F660-V678 HydrophobicContact CZ-CG1 3.6Å; F660-V678 WeakPolarHBondContact CZ-O 3.26Å; F660-F689 HydrophobicContact CD1-CD1 4.29Å; F660-F689 AromaticContact CD1-CE1 3.69Å; F660-F689 HydrophobicContact CD1-CE1 3.69Å; F660-F689 AromaticContact CE1-CD1 3.8Å; F660-F689 HydrophobicContact CE1-CD1 3.8Å; F660-F689 AromaticContact CE1-CE1 3.67Å; F660-F689 HydrophobicContact CE1-CE1 3.67Å
661	P	88.8	Confident	88.1	Confident	47 Å²	47	60 Å²	60	31%	0.305	32%	0.316	S	S	.	.			trans	-66.6	164.1	-178.1	24.2	-30.4	0	0	0	112.4	P657 F664 S680	P657-P661 WeakPolarHBondContact O-CA 3.28Å; P661-F664 HydrophobicContact CG-CB 3.89Å; P661-F664 HydrophobicContact CG-CD2 4.16Å; P661-F664 HydrophobicContact CG-CG 4Å; P661-F664 WeakPolarHBondContact O-CB 3.44Å; P661-F664 PolarHBondContact O-N 2.91Å; P661-S680 WeakPolarHBondContact O-CB 3.39Å; P661-S680 PolarHBondContact O-OG 3.33Å
662	S	89.9	Confident	88.2	Confident	98 Å²	98	68.7 Å²	68.7	69%	0.685	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	144.2	174.4	-170.9	0	0	0	0	111.3	F664	S662-F664 VanDerWaalsContact C-N 3.27Å; S662-F664 PolarHBondContact O-N 3.11Å
663	M	93.7	Very high	88.8	Confident	58 Å²	58	57.4 Å²	57.4	29%	0.286	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	38.4	-176.5	-58	-64.1	-66.5	0	0	113.1	I572 H574 S680 M681	I572-M663 HydrophobicContact CB-CB 4.33Å; I572-M663 HydrophobicContact CB-CE 4.1Å; I572-M663 WeakPolarHBondContact CB-O 3.36Å; I572-M663 WeakPolarHBondContact CG1-O 3.41Å; I572-M663 HydrophobicContact CG2-CE 3.83Å; I572-M663 PolarHBondContact N-O 3.13Å; H574-M663 HydrophobicContact CB-CE 4.34Å; M663-S680 PolarHBondContact N-O 3.47Å; M663-M681 HydrophobicContact SD-CB 3.83Å
664	F	95.4	Very high	89.2	Confident	36 Å²	36	61.1 Å²	61.1	16%	0.158	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-117.4	145.8	174.9	-165	-102.6	0	0	0	111.5	G570 H571 P661 S662 K666 M679 S680	G570-F664 CarbonylContact O-C 3.56Å; H571-F664 AromaticContact CE1-CD2 3.99Å; H571-F664 AromaticContact CE1-CE2 3.91Å; H571-F664 AromaticContact ND1-CE2 3.92Å; P661-F664 HydrophobicContact CG-CB 3.89Å; P661-F664 HydrophobicContact CG-CD2 4.16Å; P661-F664 HydrophobicContact CG-CG 4Å; P661-F664 WeakPolarHBondContact O-CB 3.44Å; P661-F664 PolarHBondContact O-N 2.91Å; S662-F664 VanDerWaalsContact C-N 3.27Å; S662-F664 PolarHBondContact O-N 3.11Å; F664-K666 HydrophobicContact CE1-CB 4.23Å; F664-M679 CarbonylContact O-C 3.35Å; F664-M679 WeakPolarHBondContact O-CA 3.47Å; F664-S680 PolarHBondContact O-N 2.93Å
665	C	95.8	Very high	89.6	Confident	7 Å²	7	59.9 Å²	59.9	5%	0.047	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.8	178.2	178.4	0	0	0	0	109.5	G570 I572 V591 V678 M679	G570-C665 WeakPolarHBondContact CA-O 3.46Å; G570-C665 WeakPolarHBondContact O-CA 3.34Å; G570-C665 WeakPolarHBondContact O-CB 3.36Å; G570-C665 PolarHBondContact O-N 2.88Å; I572-C665 HydrophobicContact CD1-CB 4.01Å; I572-C665 HydrophobicContact CG1-CB 3.92Å; V591-C665 HydrophobicContact CG1-CB 3.37Å; C665-V678 CarbonylContact C-O 3.55Å; C665-V678 VanDerWaalsContact CA-O 3.31Å; C665-V678 WeakPolarHBondContact CA-O 3.45Å; C665-M679 HydrophobicContact CB-CG 3.86Å
666	K	93.8	Very high	90.3	Very high	69 Å²	69	59.3 Å²	59.3	30%	0.3	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	138	175.1	-164.1	170.6	-177.9	171.5	0	110	V653 F660 F664 V678	V653-K666 HydrophobicContact CG1-CD 4.11Å; F660-K666 HydrophobicContact CD2-CB 4.48Å; F660-K666 HydrophobicContact CD2-CD 4.34Å; F660-K666 HydrophobicContact CE2-CB 3.64Å; F660-K666 HydrophobicContact CE2-CD 4.14Å; F660-K666 HydrophobicContact CZ-CB 4.16Å; F664-K666 HydrophobicContact CE1-CB 4.23Å; K666-V678 PolarHBondContact N-O 2.74Å; K666-V678 PolarHBondContact O-N 3.48Å
667	E	94.3	Very high	91.1	Very high	123 Å²	123	57.8 Å²	57.8	58%	0.575	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	127.5	167.3	-163.6	172.5	117.3	0	0	109.1	I676	E667-I676 WeakPolarHBondContact CA-O 3.35Å
668	M	93.8	Very high	92	Very high	13 Å²	13	53.5 Å²	53.5	6%	0.064	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	172.4	-171.5	50	174.3	-81.9	0	0	112	S651 V653 M655 F660 V670 I676 V678	S651-M668 WeakPolarHBondContact OG-CE 3.19Å; V653-M668 HydrophobicContact CB-CE 4.23Å; V653-M668 HydrophobicContact CB-SD 4.29Å; V653-M668 HydrophobicContact CG1-SD 4.37Å; V653-M668 HydrophobicContact CG2-CB 3.96Å; V653-M668 HydrophobicContact CG2-CE 4.37Å; V653-M668 HydrophobicContact CG2-SD 4.38Å; M655-M668 HydrophobicContact CE-CE 3.34Å; M655-M668 HydrophobicContact CE-SD 3.95Å; F660-M668 HydrophobicContact CE2-SD 3.94Å; M668-V670 HydrophobicContact CE-CG2 4.29Å; M668-I676 PolarHBondContact N-O 3.2Å; M668-I676 WeakPolarHBondContact O-CB 3.13Å; M668-I676 PolarHBondContact O-N 3Å; M668-V678 HydrophobicContact CE-CG2 4.11Å; M668-V678 HydrophobicContact CG-CB 4.07Å; M668-V678 HydrophobicContact CG-CG2 3.53Å; M668-V678 HydrophobicContact SD-CB 3.89Å; M668-V678 HydrophobicContact SD-CG1 4.36Å; M668-V678 HydrophobicContact SD-CG2 3.69Å
669	S	94.5	Very high	92.7	Very high	33 Å²	33	46.1 Å²	46.1	23%	0.231	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	141.8	172.9	57.6	0	0	0	0	112	S651 A673 N674	S651-S669 WeakPolarHBondContact CB-O 3.37Å; S651-S669 PolarHBondContact OG-O 3.02Å; S669-A673 CarbonylContact C-O 3.58Å; S669-A673 WeakPolarHBondContact CA-O 3.4Å; S669-N674 WeakPolarHBondContact CB-OD1 3.45Å
670	V	94.7	Very high	93.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	113.1	170.6	-175.9	0	0	0	0	108	L647 L650 M668 Y672 A673 I676 V678 V701 V705	L647-V670 HydrophobicContact CD2-CG1 4.26Å; L650-V670 HydrophobicContact CB-CG1 4.02Å; L650-V670 HydrophobicContact CD1-CG1 4.27Å; L650-V670 WeakPolarHBondContact O-CA 3.19Å; M668-V670 HydrophobicContact CE-CG2 4.29Å; V670-Y672 PolarHBondContact O-N 2.54Å; V670-A673 PolarHBondContact N-O 2.65Å; V670-A673 PolarHBondContact O-N 3.44Å; V670-I676 HydrophobicContact CB-CG1 4.2Å; V670-I676 HydrophobicContact CG2-CB 3.97Å; V670-I676 HydrophobicContact CG2-CG1 4.17Å; V670-I676 HydrophobicContact CG2-CG2 3.95Å; V670-V678 HydrophobicContact CG2-CG2 3.97Å; V670-V701 HydrophobicContact CB-CG1 4.26Å; V670-V701 HydrophobicContact CG1-CG1 3.86Å; V670-V705 HydrophobicContact CG1-CG2 4.31Å
671	G	92.4	Very high	93.8	Very high	22 Å²	22	42.6 Å²	42.6	23%	0.227	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	-127.8	-163.9	0	0	0	0	0	110.2	L650	L650-G671 PolarHBondContact O-N 2.78Å
672	Y	92.5	Very high	93.9	Very high	191 Å²	191	41.4 Å²	41.4	75%	0.749	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-3	177.2	-52.6	-61.8	0	0	0	114	V670 H700	V670-Y672 PolarHBondContact O-N 2.54Å; Y672-H700 AromaticContact CD2-CE1 3.63Å; Y672-H700 AromaticContact CD2-NE2 3.57Å
673	A	95.2	Very high	93.5	Very high	3 Å²	3	38.4 Å²	38.4	3%	0.025	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	134.4	179.5	0	0	0	0	0	111.2	S669 V670 I676 Y697 V701	S669-A673 CarbonylContact C-O 3.58Å; S669-A673 WeakPolarHBondContact CA-O 3.4Å; V670-A673 PolarHBondContact N-O 2.65Å; V670-A673 PolarHBondContact O-N 3.44Å; A673-I676 HydrophobicContact CB-CD1 4.11Å; A673-I676 HydrophobicContact CB-CG1 4.36Å; A673-Y697 HydrophobicContact CB-CD1 3.85Å; A673-Y697 HydrophobicContact CB-CD2 4.47Å; A673-Y697 HydrophobicContact CB-CG 3.74Å; A673-V701 HydrophobicContact CB-CG2 3.63Å
674	N	92.9	Very high	93.1	Very high	113 Å²	113	35.6 Å²	35.6	60%	0.604	18%	0.182	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	170.7	173.8	-66.6	-44.3	0	0	0	110.8	S669 I676	S669-N674 WeakPolarHBondContact CB-OD1 3.45Å; N674-I676 VanDerWaalsContact C-N 3.3Å; N674-I676 PolarHBondContact O-N 3.15Å
675	G	91.8	Very high	92.6	Very high	23 Å²	23	35.3 Å²	35.3	24%	0.237	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.9	17.4	174	0	0	0	0	0	114.6
676	I	96.5	Very high	92.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.2	-179.1	-48.6	-51.7	0	0	0	108.8	E667 M668 V670 A673 N674 V678 I693 V701	E667-I676 WeakPolarHBondContact CA-O 3.35Å; M668-I676 PolarHBondContact N-O 3.2Å; M668-I676 WeakPolarHBondContact O-CB 3.13Å; M668-I676 PolarHBondContact O-N 3Å; V670-I676 HydrophobicContact CB-CG1 4.2Å; V670-I676 HydrophobicContact CG2-CB 3.97Å; V670-I676 HydrophobicContact CG2-CG1 4.17Å; V670-I676 HydrophobicContact CG2-CG2 3.95Å; A673-I676 HydrophobicContact CB-CD1 4.11Å; A673-I676 HydrophobicContact CB-CG1 4.36Å; N674-I676 VanDerWaalsContact C-N 3.3Å; N674-I676 PolarHBondContact O-N 3.15Å; I676-V678 HydrophobicContact CG2-CG2 4.14Å; I676-V678 PolarHBondContact O-N 3.33Å; I676-I693 HydrophobicContact CD1-CB 4.33Å; I676-I693 HydrophobicContact CD1-CG1 4.27Å; I676-I693 HydrophobicContact CD1-CG2 3.92Å; I676-I693 HydrophobicContact CG2-CG1 3.8Å; I676-V701 HydrophobicContact CD1-CG2 4.08Å; I676-V701 HydrophobicContact CG1-CG2 4.34Å
677	R	96.6	Very high	92.1	Very high	21 Å²	21	36.5 Å²	36.5	8%	0.079	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	102.6	174.8	-65	176.1	-174.2	163.7	3.1	108.8	E545 Y633 M679 Y692	E545-R677 IonicContact OE1-CZ 3.64Å; E545-R677 VanDerWaalsContact OE1-CZ 3.25Å; E545-R677 IonicContact OE1-NH1 2.7Å; E545-R677 PolarHBondContact OE1-NH1 2.71Å; E545-R677 IonicContact OE1-NH2 2.77Å; E545-R677 PolarHBondContact OE1-NH2 2.97Å; Y633-R677 PolarHBondContact OH-NH1 3.26Å; Y633-R677 PolarHBondContact OH-NH2 2.84Å; R677-M679 HydrophobicContact CB-CE 4.23Å; R677-Y692 PolarHBondContact N-O 2.98Å; R677-Y692 VanDerWaalsContact N-O 3.07Å; R677-Y692 PolarHBondContact O-N 2.79Å
678	V	96.6	Very high	92.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.4	177.4	-176.6	0	0	0	0	108.4	L647 F660 C665 K666 M668 V670 I676 F689 L691	L647-V678 HydrophobicContact CD1-CG1 4.05Å; F660-V678 HydrophobicContact CE1-CG1 4.2Å; F660-V678 HydrophobicContact CE2-CG1 4.37Å; F660-V678 HydrophobicContact CZ-CB 3.9Å; F660-V678 HydrophobicContact CZ-CG1 3.6Å; F660-V678 WeakPolarHBondContact CZ-O 3.26Å; C665-V678 CarbonylContact C-O 3.55Å; C665-V678 VanDerWaalsContact CA-O 3.31Å; C665-V678 WeakPolarHBondContact CA-O 3.45Å; K666-V678 PolarHBondContact N-O 2.74Å; K666-V678 PolarHBondContact O-N 3.48Å; M668-V678 HydrophobicContact CE-CG2 4.11Å; M668-V678 HydrophobicContact CG-CB 4.07Å; M668-V678 HydrophobicContact CG-CG2 3.53Å; M668-V678 HydrophobicContact SD-CB 3.89Å; M668-V678 HydrophobicContact SD-CG1 4.36Å; M668-V678 HydrophobicContact SD-CG2 3.69Å; V670-V678 HydrophobicContact CG2-CG2 3.97Å; I676-V678 HydrophobicContact CG2-CG2 4.14Å; I676-V678 PolarHBondContact O-N 3.33Å; V678-F689 HydrophobicContact CG1-CB 4.24Å; V678-F689 HydrophobicContact CG1-CD1 4.03Å; V678-F689 HydrophobicContact CG1-CG 4.37Å; V678-L691 HydrophobicContact CB-CD2 4.18Å; V678-L691 HydrophobicContact CG1-CD2 3.8Å; V678-L691 HydrophobicContact CG2-CD2 3.75Å
679	M	95.8	Very high	92.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.3	-174.1	-63.8	-175.8	-166.9	0	0	111.2	I572 V591 F599 I601 F664 C665 R677 M681 F689 M690 Y692	I572-M679 HydrophobicContact CD1-CB 3.61Å; I572-M679 HydrophobicContact CD1-CG 3.82Å; I572-M679 HydrophobicContact CD1-SD 4.09Å; V591-M679 HydrophobicContact CG2-CE 3.85Å; V591-M679 HydrophobicContact CG2-SD 3.96Å; F599-M679 HydrophobicContact CD1-CE 3.8Å; F599-M679 HydrophobicContact CE1-CE 3.91Å; I601-M679 HydrophobicContact CD1-CE 4.11Å; I601-M679 HydrophobicContact CD1-SD 3.76Å; F664-M679 CarbonylContact O-C 3.35Å; F664-M679 WeakPolarHBondContact O-CA 3.47Å; C665-M679 HydrophobicContact CB-CG 3.86Å; R677-M679 HydrophobicContact CB-CE 4.23Å; M679-M681 HydrophobicContact CB-CG 4.16Å; M679-M681 PolarHBondContact O-N 3.49Å; M679-F689 CarbonylContact O-C 3.58Å; M679-F689 WeakPolarHBondContact O-CA 3.19Å; M679-M690 HydrophobicContact CB-CB 4.11Å; M679-M690 PolarHBondContact N-O 3.16Å; M679-M690 PolarHBondContact O-N 3.05Å; M679-Y692 HydrophobicContact CE-CD2 3.43Å; M679-Y692 VanDerWaalsContact CE-CD2 3.43Å; M679-Y692 HydrophobicContact CE-CE2 3.75Å; M679-Y692 HydrophobicContact CE-CG 4.23Å; M679-Y692 HydrophobicContact CG-CD2 4.44Å; M679-Y692 HydrophobicContact SD-CD2 3.72Å; M679-Y692 HydrophobicContact SD-CE2 3.51Å; M679-Y692 VanDerWaalsContact SD-CE2 3.51Å
680	S	93.6	Very high	92.3	Very high	20 Å²	20	29.4 Å²	29.4	14%	0.14	17%	0.168	C	C	.	.	S	Bend	trans	-77.4	58.1	-179.7	-165.3	0	0	0	0	112.4	P661 M663 F664	P661-S680 WeakPolarHBondContact O-CB 3.39Å; P661-S680 PolarHBondContact O-OG 3.33Å; M663-S680 PolarHBondContact N-O 3.47Å; F664-S680 PolarHBondContact O-N 2.93Å
681	M	91.4	Very high	92.5	Very high	18 Å²	18	29.5 Å²	29.5	9%	0.089	17%	0.168	C	C	.	.			trans	-151.5	157.9	177.2	64.9	172.9	-70	0	0	110.9	I572 M663 M679 F689 M690	I572-M681 HydrophobicContact CD1-CG 4.24Å; I572-M681 HydrophobicContact CD1-SD 4.06Å; I572-M681 HydrophobicContact CG2-SD 3.89Å; M663-M681 HydrophobicContact SD-CB 3.83Å; M679-M681 HydrophobicContact CB-CG 4.16Å; M679-M681 PolarHBondContact O-N 3.49Å; M681-F689 CarbonylContact O-C 3.55Å; M681-M690 HydrophobicContact CG-CG 4.42Å; M681-M690 PolarHBondContact O-N 2.88Å
682	T	89.7	Confident	92.7	Very high	21 Å²	21	28.5 Å²	28.5	13%	0.129	16%	0.157	C	C	.	.			trans	-136.4	153	171.9	71	0	0	0	0	110.3	I639 T684 G685 E686 G688	I639-T682 HydrophobicContact CG2-CG2 3.86Å; T682-T684 PolarHBondContact O-N 2.82Å; T682-T684 PolarHBondContact OG1-OG1 2.78Å; T682-G685 PolarHBondContact OG1-N 2.78Å; T682-E686 VanDerWaalsContact CG2-O 3.24Å; T682-E686 WeakPolarHBondContact CG2-O 3.29Å; T682-E686 PolarHBondContact OG1-O 3.46Å; T682-G688 VanDerWaalsContact CG2-CA 3.5Å
683	H	83.4	Confident	93	Very high	35 Å²	35	19.4 Å²	19.4	16%	0.162	12%	0.122	C	C	.	.	S	Bend	trans	-84.5	4.4	172	-62.7	-69	0	0	0	113.5	M538 F541 L722	M538-H683 HydrophobicContact CE-CB 3.94Å; M538-H683 VanDerWaalsContact CE-CD2 3.41Å; M538-H683 WeakPolarHBondContact CE-CD2 3.49Å; M538-H683 HydrophobicContact SD-CB 4.46Å; F541-H683 AromaticContact CE1-CE1 3.97Å; F541-H683 AromaticContact CE1-NE2 3.88Å; H683-L722 HydrophobicContact CB-CD1 4.12Å; H683-L722 WeakPolarHBondContact O-CD1 3.32Å
684	T	85.4	Confident	93.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-103.7	-20.8	-179.4	52.4	0	0	0	0	113.6	I639 T682 E686 L722 L725 K729	I639-T684 HydrophobicContact CD1-CG2 3.84Å; I639-T684 HydrophobicContact CG2-CG2 4.38Å; T682-T684 PolarHBondContact O-N 2.82Å; T682-T684 PolarHBondContact OG1-OG1 2.78Å; T684-E686 PolarHBondContact O-N 3.24Å; T684-E686 PolarHBondContact OG1-N 3.14Å; T684-L722 HydrophobicContact CG2-CD1 3.42Å; T684-L722 VanDerWaalsContact CG2-CD1 3.42Å; T684-L725 HydrophobicContact CG2-CB 4.04Å; T684-L725 HydrophobicContact CG2-CD1 3.58Å; T684-L725 HydrophobicContact CG2-CG 4.46Å; T684-K729 VanDerWaalsContact O-CG 3.23Å; T684-K729 WeakPolarHBondContact O-CG 3.4Å
685	G	83.3	Confident	93.2	Very high	29 Å²	29	18.9 Å²	18.9	30%	0.299	12%	0.119	S	C	.	.	S	Bend	trans	69.7	13.8	-170.7	0	0	0	0	0	113.8	T682 K729	T682-G685 PolarHBondContact OG1-N 2.78Å; G685-K729 PolarHBondContact O-NZ 3.1Å
686	E	90.1	Very high	93.4	Very high	23 Å²	23	24.3 Å²	24.3	11%	0.107	14%	0.139	C	C	.	.	S	Bend	trans	-93.6	155.3	161.3	-57.7	-54.6	168.5	0	0	109.2	K530 T682 T684 L725 K729	K530-E686 HydrophobicContact CG-CG 4.46Å; K530-E686 IonicContact NZ-OE1 3.97Å; K530-E686 PolarHBondContact NZ-OE1 2.87Å; T682-E686 VanDerWaalsContact CG2-O 3.24Å; T682-E686 WeakPolarHBondContact CG2-O 3.29Å; T682-E686 PolarHBondContact OG1-O 3.46Å; T684-E686 PolarHBondContact O-N 3.24Å; T684-E686 PolarHBondContact OG1-N 3.14Å; E686-L725 HydrophobicContact CG-CD2 3.98Å; E686-K729 WeakPolarHBondContact OE1-CE 3.45Å; E686-K729 IonicContact OE1-NZ 3.2Å; E686-K729 PolarHBondContact OE1-NZ 2.88Å; E686-K729 IonicContact OE2-NZ 2.78Å; E686-K729 PolarHBondContact OE2-NZ 3.3Å
687	P	90.6	Very high	93.4	Very high	78 Å²	78	28.4 Å²	28.4	51%	0.506	16%	0.155	S	C	.	.	S	Bend	trans	-59.2	149.4	177.6	26	-35.8	0	0	0	111.1	G640	G640-P687 PolarHBondContact N-O 2.88Å
688	G	93.6	Very high	93.4	Very high	13 Å²	13	27.4 Å²	27.4	13%	0.134	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.5	-169.6	-177.2	0	0	0	0	0	113.5	L638 T682	L638-G688 CarbonylContact O-C 3.3Å; L638-G688 WeakPolarHBondContact O-CA 3.39Å; T682-G688 VanDerWaalsContact CG2-CA 3.5Å
689	F	95.7	Very high	93.4	Very high	8 Å²	8	31 Å²	31	4%	0.035	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.1	-171.7	-55.3	-93.2	0	0	0	111.9	L638 A643 M644 L647 F660 V678 M679 M681 L691	L638-F689 PolarHBondContact N-O 3.12Å; L638-F689 PolarHBondContact O-N 3.19Å; A643-F689 HydrophobicContact CB-CD2 4.36Å; M644-F689 HydrophobicContact CB-CE2 4.19Å; M644-F689 HydrophobicContact CE-CZ 4.23Å; L647-F689 HydrophobicContact CD1-CB 3.88Å; L647-F689 HydrophobicContact CD1-CD1 4.16Å; L647-F689 HydrophobicContact CD1-CD2 3.39Å; L647-F689 HydrophobicContact CD1-CE2 3.91Å; L647-F689 HydrophobicContact CD1-CG 3.54Å; L647-F689 HydrophobicContact CD1-CZ 4.48Å; L647-F689 HydrophobicContact CG-CD2 4.47Å; F660-F689 HydrophobicContact CD1-CD1 4.29Å; F660-F689 AromaticContact CD1-CE1 3.69Å; F660-F689 HydrophobicContact CD1-CE1 3.69Å; F660-F689 AromaticContact CE1-CD1 3.8Å; F660-F689 HydrophobicContact CE1-CD1 3.8Å; F660-F689 AromaticContact CE1-CE1 3.67Å; F660-F689 HydrophobicContact CE1-CE1 3.67Å; V678-F689 HydrophobicContact CG1-CB 4.24Å; V678-F689 HydrophobicContact CG1-CD1 4.03Å; V678-F689 HydrophobicContact CG1-CG 4.37Å; M679-F689 CarbonylContact O-C 3.58Å; M679-F689 WeakPolarHBondContact O-CA 3.19Å; M681-F689 CarbonylContact O-C 3.55Å; F689-L691 HydrophobicContact CB-CD2 4.49Å
690	M	96.9	Very high	93.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.8	164	-75.9	-66.8	-58.4	0	0	109.5	M538 A635 N637 M679 M681 Y692	M538-M690 HydrophobicContact CB-CE 4.19Å; M538-M690 HydrophobicContact SD-SD 4.23Å; A635-M690 HydrophobicContact CB-CE 4.09Å; N637-M690 HydrophobicContact CB-SD 3.38Å; N637-M690 WeakPolarHBondContact CB-SD 3.42Å; M679-M690 HydrophobicContact CB-CB 4.11Å; M679-M690 PolarHBondContact N-O 3.16Å; M679-M690 PolarHBondContact O-N 3.05Å; M681-M690 HydrophobicContact CG-CG 4.42Å; M681-M690 PolarHBondContact O-N 2.88Å; M690-Y692 HydrophobicContact CB-CD2 4.45Å; M690-Y692 HydrophobicContact CB-CE2 3.88Å; M690-Y692 HydrophobicContact CE-CE2 3.99Å
691	L	97.6	Very high	93.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	112.1	177	-51.3	177.7	0	0	0	108.8	A635 L636 L647 V678 F689 I693 V705	A635-L691 CarbonylContact C-O 3.56Å; A635-L691 VanDerWaalsContact CA-O 3.31Å; A635-L691 WeakPolarHBondContact CA-O 3.49Å; L636-L691 HydrophobicContact CB-CB 4.34Å; L636-L691 PolarHBondContact N-O 2.95Å; L636-L691 PolarHBondContact O-N 2.86Å; L647-L691 HydrophobicContact CD1-CD2 4.21Å; L647-L691 HydrophobicContact CD2-CD1 4.36Å; L647-L691 HydrophobicContact CD2-CD2 4.15Å; V678-L691 HydrophobicContact CB-CD2 4.18Å; V678-L691 HydrophobicContact CG1-CD2 3.8Å; V678-L691 HydrophobicContact CG2-CD2 3.75Å; F689-L691 HydrophobicContact CB-CD2 4.49Å; L691-I693 HydrophobicContact CB-CD1 3.97Å; L691-I693 HydrophobicContact CB-CG1 4.13Å; L691-V705 HydrophobicContact CD1-CG2 4.34Å
692	Y	98	Very high	94	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	111.4	170.3	-68.2	-94.7	0	0	0	109	K543 F599 I601 A635 R677 M679 M690	K543-Y692 HydrophobicContact CD-CD1 3.9Å; K543-Y692 HydrophobicContact CD-CE1 3.9Å; K543-Y692 HydrophobicContact CG-CE1 4.21Å; F599-Y692 AromaticContact CE1-CD1 3.81Å; F599-Y692 HydrophobicContact CE1-CD1 3.81Å; F599-Y692 HydrophobicContact CE1-CD2 4.3Å; F599-Y692 AromaticContact CE1-CE1 3.94Å; F599-Y692 HydrophobicContact CE1-CE1 3.94Å; F599-Y692 HydrophobicContact CE1-CE2 4.42Å; F599-Y692 HydrophobicContact CE1-CG 4Å; F599-Y692 AromaticContact CZ-CD1 3.82Å; F599-Y692 HydrophobicContact CZ-CD1 3.82Å; F599-Y692 HydrophobicContact CZ-CE1 4.18Å; F599-Y692 HydrophobicContact CZ-CG 4.26Å; I601-Y692 HydrophobicContact CD1-CE1 4.43Å; I601-Y692 HydrophobicContact CD1-CE2 3.77Å; I601-Y692 WeakPolarHBondContact CD1-OH 3.47Å; I601-Y692 HydrophobicContact CG1-CE1 4.3Å; I601-Y692 HydrophobicContact CG1-CE2 4.5Å; I601-Y692 VanDerWaalsContact CG2-OH 3.29Å; I601-Y692 WeakPolarHBondContact CG2-OH 3.37Å; A635-Y692 HydrophobicContact CB-CD1 3.77Å; A635-Y692 HydrophobicContact CB-CE1 3.61Å; R677-Y692 PolarHBondContact N-O 2.98Å; R677-Y692 VanDerWaalsContact N-O 3.07Å; R677-Y692 PolarHBondContact O-N 2.79Å; M679-Y692 HydrophobicContact CE-CD2 3.43Å; M679-Y692 VanDerWaalsContact CE-CD2 3.43Å; M679-Y692 HydrophobicContact CE-CE2 3.75Å; M679-Y692 HydrophobicContact CE-CG 4.23Å; M679-Y692 HydrophobicContact CG-CD2 4.44Å; M679-Y692 HydrophobicContact SD-CD2 3.72Å; M679-Y692 HydrophobicContact SD-CE2 3.51Å; M679-Y692 VanDerWaalsContact SD-CE2 3.51Å; M690-Y692 HydrophobicContact CB-CD2 4.45Å; M690-Y692 HydrophobicContact CB-CE2 3.88Å; M690-Y692 HydrophobicContact CE-CE2 3.99Å
693	I	98.2	Very high	94.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.3	-166.8	-61.1	153.8	0	0	0	108.2	Y633 T634 L636 I676 L691 I695 A698 V701	Y633-I693 CarbonylContact C-O 3.6Å; Y633-I693 WeakPolarHBondContact CA-O 3.4Å; T634-I693 PolarHBondContact N-O 2.91Å; T634-I693 PolarHBondContact O-N 2.79Å; L636-I693 HydrophobicContact CB-CD1 4.49Å; L636-I693 HydrophobicContact CD1-CD1 3.65Å; L636-I693 HydrophobicContact CG-CD1 3.91Å; I676-I693 HydrophobicContact CD1-CB 4.33Å; I676-I693 HydrophobicContact CD1-CG1 4.27Å; I676-I693 HydrophobicContact CD1-CG2 3.92Å; I676-I693 HydrophobicContact CG2-CG1 3.8Å; L691-I693 HydrophobicContact CB-CD1 3.97Å; L691-I693 HydrophobicContact CB-CG1 4.13Å; I693-I695 PolarHBondContact O-N 3.01Å; I693-A698 HydrophobicContact CG2-CB 4.4Å; I693-V701 HydrophobicContact CD1-CB 3.97Å; I693-V701 HydrophobicContact CD1-CG1 3.55Å; I693-V701 HydrophobicContact CG1-CB 4.39Å; I693-V701 HydrophobicContact CG1-CG1 4.06Å; I693-V701 HydrophobicContact CG2-CB 4.29Å; I693-V701 HydrophobicContact CG2-CG2 4.07Å
694	P	96.9	Very high	95.1	Very high	28 Å²	28	34.6 Å²	34.6	18%	0.182	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	136.6	170.9	-23.7	33.1	0	0	0	110.6	K632 Y633 E696 Y697	K632-P694 WeakPolarHBondContact O-CA 3.38Å; Y633-P694 HydrophobicContact CE1-CG 4.27Å; P694-E696 HydrophobicContact CB-CG 4.36Å; P694-E696 PolarHBondContact O-N 2.88Å; P694-Y697 HydrophobicContact CB-CD2 3.94Å; P694-Y697 HydrophobicContact CB-CE2 4.25Å; P694-Y697 HydrophobicContact CG-CD2 4.11Å; P694-Y697 HydrophobicContact CG-CE2 4.41Å; P694-Y697 PolarHBondContact O-N 2.68Å
695	I	95.5	Very high	95.6	Very high	78 Å²	78	34.6 Å²	34.6	40%	0.4	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-54.8	-31.7	-166.2	62.8	174.3	0	0	0	114.5	P473 W631 K632 I693 Y697 A698	P473-I695 HydrophobicContact CG-CB 4.05Å; P473-I695 HydrophobicContact CG-CG2 4.32Å; W631-I695 WeakPolarHBondContact O-CG2 3.18Å; K632-I695 WeakPolarHBondContact O-CG2 3.41Å; K632-I695 PolarHBondContact O-N 3.38Å; I693-I695 PolarHBondContact O-N 3.01Å; I695-Y697 VanDerWaalsContact C-N 3.28Å; I695-Y697 PolarHBondContact O-N 3.32Å; I695-A698 VanDerWaalsContact O-CB 3.26Å; I695-A698 WeakPolarHBondContact O-CB 3.19Å; I695-A698 PolarHBondContact O-N 3.06Å
696	E	95.2	Very high	96.3	Very high	137 Å²	137	34.6 Å²	34.6	64%	0.64	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-61.7	-30.2	178.1	64.5	-155.7	-139.2	0	0	113.8	P694	P694-E696 HydrophobicContact CB-CG 4.36Å; P694-E696 PolarHBondContact O-N 2.88Å
697	Y	97	Very high	96.7	Very high	85 Å²	85	36.7 Å²	36.7	33%	0.333	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-96.3	-4.2	178.4	-53.2	-61.3	0	0	0	113.6	A673 P694 I695 L699 H700 V701	A673-Y697 HydrophobicContact CB-CD1 3.85Å; A673-Y697 HydrophobicContact CB-CD2 4.47Å; A673-Y697 HydrophobicContact CB-CG 3.74Å; P694-Y697 HydrophobicContact CB-CD2 3.94Å; P694-Y697 HydrophobicContact CB-CE2 4.25Å; P694-Y697 HydrophobicContact CG-CD2 4.11Å; P694-Y697 HydrophobicContact CG-CE2 4.41Å; P694-Y697 PolarHBondContact O-N 2.68Å; I695-Y697 VanDerWaalsContact C-N 3.28Å; I695-Y697 PolarHBondContact O-N 3.32Å; Y697-L699 PolarHBondContact O-N 3.27Å; Y697-H700 WeakPolarHBondContact O-CB 3.44Å; Y697-H700 PolarHBondContact O-N 3.24Å; Y697-H700 VanDerWaalsContact O-N 3.08Å; Y697-V701 WeakPolarHBondContact O-CG2 3.46Å; Y697-V701 PolarHBondContact O-N 3.43Å
698	A	96.8	Very high	97	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.1	-49.3	-169.2	0	0	0	0	0	113.6	P473 T634 I693 I695 H700 Y702	P473-A698 HydrophobicContact CB-CB 3.82Å; P473-A698 HydrophobicContact CG-CB 3.85Å; T634-A698 HydrophobicContact CG2-CB 4Å; T634-A698 WeakPolarHBondContact OG1-CB 3.37Å; I693-A698 HydrophobicContact CG2-CB 4.4Å; I695-A698 VanDerWaalsContact O-CB 3.26Å; I695-A698 WeakPolarHBondContact O-CB 3.19Å; I695-A698 PolarHBondContact O-N 3.06Å; A698-H700 VanDerWaalsContact C-N 3.35Å; A698-Y702 WeakPolarHBondContact O-CB 3.35Å; A698-Y702 PolarHBondContact O-N 3.3Å
699	L	96.7	Very high	97.2	Very high	75 Å²	75	33.6 Å²	33.6	39%	0.393	17%	0.171	S	C	.	.	H	α-helix	trans	-65.4	-37.8	176.9	-78.7	167.9	0	0	0	112.1	P473 L474 Y697 N703	P473-L699 WeakPolarHBondContact O-CD2 3.21Å; L474-L699 HydrophobicContact CD2-CD2 3.86Å; L474-L699 HydrophobicContact CD2-CG 4.35Å; Y697-L699 PolarHBondContact O-N 3.27Å; L699-N703 WeakPolarHBondContact O-CB 3.44Å; L699-N703 PolarHBondContact O-N 2.79Å; L699-N703 PolarHBondContact O-ND2 3.14Å
700	H	97.1	Very high	97.3	Very high	61 Å²	61	40.2 Å²	40.2	28%	0.282	20%	0.202	S	C	.	.	H	α-helix	trans	-63.6	-58.1	178.5	-174.3	67.2	0	0	0	111	Y672 Y697 A698 Y702 N703 E704	Y672-H700 AromaticContact CD2-CE1 3.63Å; Y672-H700 AromaticContact CD2-NE2 3.57Å; Y697-H700 WeakPolarHBondContact O-CB 3.44Å; Y697-H700 PolarHBondContact O-N 3.24Å; Y697-H700 VanDerWaalsContact O-N 3.08Å; A698-H700 VanDerWaalsContact C-N 3.35Å; H700-Y702 VanDerWaalsContact C-N 3.31Å; H700-Y702 PolarHBondContact O-N 2.94Å; H700-N703 PolarHBondContact O-N 2.84Å; H700-N703 VanDerWaalsContact O-N 3.15Å; H700-E704 IonicContact CE1-OE1 3.41Å; H700-E704 PolarHBondContact CE1-OE1 2.87Å; H700-E704 VanDerWaalsContact CE1-OE1 3.25Å; H700-E704 VanDerWaalsContact NE2-CG 3.25Å; H700-E704 WeakPolarHBondContact NE2-CG 3.41Å; H700-E704 IonicContact NE2-OE1 3.72Å; H700-E704 WeakPolarHBondContact O-CG 3.5Å; H700-E704 PolarHBondContact O-N 2.86Å
701	V	97.9	Very high	97.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.6	-42.1	-178.9	176.3	0	0	0	0	111.1	V670 A673 I676 I693 Y697 E704 V705	V670-V701 HydrophobicContact CB-CG1 4.26Å; V670-V701 HydrophobicContact CG1-CG1 3.86Å; A673-V701 HydrophobicContact CB-CG2 3.63Å; I676-V701 HydrophobicContact CD1-CG2 4.08Å; I676-V701 HydrophobicContact CG1-CG2 4.34Å; I693-V701 HydrophobicContact CD1-CB 3.97Å; I693-V701 HydrophobicContact CD1-CG1 3.55Å; I693-V701 HydrophobicContact CG1-CB 4.39Å; I693-V701 HydrophobicContact CG1-CG1 4.06Å; I693-V701 HydrophobicContact CG2-CB 4.29Å; I693-V701 HydrophobicContact CG2-CG2 4.07Å; Y697-V701 WeakPolarHBondContact O-CG2 3.46Å; Y697-V701 PolarHBondContact O-N 3.43Å; V701-E704 PolarHBondContact O-N 2.91Å; V701-V705 HydrophobicContact CG1-CG2 4.2Å; V701-V705 WeakPolarHBondContact O-CB 3.4Å; V701-V705 WeakPolarHBondContact O-CG2 3.46Å; V701-V705 PolarHBondContact O-N 2.57Å
702	Y	98.3	Very high	97.2	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-47.2	175.7	174.9	-101.4	0	0	0	112.5	L474 R477 L478 Q481 V535 L636 A698 H700 E704 V705 M706 N716	L474-Y702 HydrophobicContact CD1-CD1 4.47Å; L474-Y702 HydrophobicContact CD1-CD2 3.59Å; L474-Y702 HydrophobicContact CD1-CE2 4.17Å; L474-Y702 HydrophobicContact CD1-CG 3.75Å; L474-Y702 HydrophobicContact CD2-CD1 3.98Å; L474-Y702 HydrophobicContact CD2-CD2 4.45Å; L474-Y702 HydrophobicContact CD2-CG 3.76Å; L474-Y702 HydrophobicContact CG-CG 4.41Å; R477-Y702 HydrophobicContact CG-CD1 4.23Å; R477-Y702 HydrophobicContact CG-CE1 3.64Å; L478-Y702 HydrophobicContact CD2-CE2 4.22Å; L478-Y702 WeakPolarHBondContact CD2-OH 3.46Å; Q481-Y702 PolarHBondContact OE1-OH 3.16Å; V535-Y702 HydrophobicContact CG1-CD2 4.42Å; V535-Y702 HydrophobicContact CG1-CE2 4.34Å; L636-Y702 HydrophobicContact CD1-CD2 4.22Å; A698-Y702 WeakPolarHBondContact O-CB 3.35Å; A698-Y702 PolarHBondContact O-N 3.3Å; H700-Y702 VanDerWaalsContact C-N 3.31Å; H700-Y702 PolarHBondContact O-N 2.94Å; Y702-E704 PolarHBondContact O-N 2.93Å; Y702-V705 PolarHBondContact O-N 2.6Å; Y702-M706 HydrophobicContact CD1-CG 4.4Å; Y702-M706 HydrophobicContact CD2-CG 3.99Å; Y702-M706 HydrophobicContact CE1-CG 4.03Å; Y702-M706 HydrophobicContact CE2-CG 3.57Å; Y702-M706 HydrophobicContact CE2-SD 4.09Å; Y702-M706 HydrophobicContact CG-CG 4.39Å; Y702-M706 WeakPolarHBondContact O-CB 3.38Å; Y702-M706 VanDerWaalsContact O-CG 3.24Å; Y702-M706 WeakPolarHBondContact O-CG 3.11Å; Y702-M706 PolarHBondContact O-N 2.99Å; Y702-N716 PolarHBondContact OH-ND2 2.84Å; Y702-N716 PolarHBondContact OH-OD1 3.23Å
703	N	97.6	Very high	97.2	Very high	59 Å²	59	50 Å²	50	32%	0.316	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-41.3	-179.7	-70.8	-33.1	0	0	0	111.8	R477 L699 H700 M706 S707	R477-N703 PolarHBondContact NH1-OD1 2.88Å; L699-N703 WeakPolarHBondContact O-CB 3.44Å; L699-N703 PolarHBondContact O-N 2.79Å; L699-N703 PolarHBondContact O-ND2 3.14Å; H700-N703 PolarHBondContact O-N 2.84Å; H700-N703 VanDerWaalsContact O-N 3.15Å; N703-M706 PolarHBondContact O-N 3.09Å; N703-S707 WeakPolarHBondContact O-CB 3.32Å; N703-S707 PolarHBondContact O-N 3.03Å
704	E	97.8	Very high	97.1	Very high	48 Å²	48	50.8 Å²	50.8	22%	0.224	26%	0.258	C	S	.	.	H	α-helix	trans	-65.9	-45.6	176.8	-66.7	-58.6	160.1	0	0	112.3	L650 H700 V701 Y702 M706 S707 V708	L650-E704 HydrophobicContact CD2-CB 3.79Å; H700-E704 IonicContact CE1-OE1 3.41Å; H700-E704 PolarHBondContact CE1-OE1 2.87Å; H700-E704 VanDerWaalsContact CE1-OE1 3.25Å; H700-E704 VanDerWaalsContact NE2-CG 3.25Å; H700-E704 WeakPolarHBondContact NE2-CG 3.41Å; H700-E704 IonicContact NE2-OE1 3.72Å; H700-E704 WeakPolarHBondContact O-CG 3.5Å; H700-E704 PolarHBondContact O-N 2.86Å; V701-E704 PolarHBondContact O-N 2.91Å; Y702-E704 PolarHBondContact O-N 2.93Å; E704-M706 VanDerWaalsContact C-N 3.34Å; E704-M706 PolarHBondContact O-N 2.84Å; E704-S707 PolarHBondContact O-N 3.4Å; E704-V708 PolarHBondContact O-N 3.27Å
705	V	97.8	Very high	97.2	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-56.9	-46.9	174.1	167.3	0	0	0	0	111.2	V535 L638 V646 L650 V670 L691 V701 Y702 G709 I714	V535-V705 HydrophobicContact CG2-CG1 3.89Å; L638-V705 HydrophobicContact CD1-CG1 3.8Å; V646-V705 HydrophobicContact CG1-CG1 4.22Å; L650-V705 HydrophobicContact CD1-CB 4.27Å; L650-V705 HydrophobicContact CD1-CG2 3.66Å; V670-V705 HydrophobicContact CG1-CG2 4.31Å; L691-V705 HydrophobicContact CD1-CG2 4.34Å; V701-V705 HydrophobicContact CG1-CG2 4.2Å; V701-V705 WeakPolarHBondContact O-CB 3.4Å; V701-V705 WeakPolarHBondContact O-CG2 3.46Å; V701-V705 PolarHBondContact O-N 2.57Å; Y702-V705 PolarHBondContact O-N 2.6Å; V705-G709 PolarHBondContact O-N 3.01Å; V705-I714 HydrophobicContact CG1-CD1 3.87Å
706	M	98.1	Very high	97.3	Very high	29 Å²	29	53.9 Å²	53.9	14%	0.143	26%	0.262	C	S	.	.	H	α-helix	trans	-70.3	-30.9	178.8	-68.2	-61.6	-75	0	0	112.9	V535 Y702 N703 E704 Q710 I714	V535-M706 HydrophobicContact CB-SD 4.37Å; V535-M706 HydrophobicContact CG2-SD 3.78Å; Y702-M706 HydrophobicContact CD1-CG 4.4Å; Y702-M706 HydrophobicContact CD2-CG 3.99Å; Y702-M706 HydrophobicContact CE1-CG 4.03Å; Y702-M706 HydrophobicContact CE2-CG 3.57Å; Y702-M706 HydrophobicContact CE2-SD 4.09Å; Y702-M706 HydrophobicContact CG-CG 4.39Å; Y702-M706 WeakPolarHBondContact O-CB 3.38Å; Y702-M706 VanDerWaalsContact O-CG 3.24Å; Y702-M706 WeakPolarHBondContact O-CG 3.11Å; Y702-M706 PolarHBondContact O-N 2.99Å; N703-M706 PolarHBondContact O-N 3.09Å; E704-M706 VanDerWaalsContact C-N 3.34Å; E704-M706 PolarHBondContact O-N 2.84Å; M706-Q710 WeakPolarHBondContact O-CG 3.38Å; M706-Q710 PolarHBondContact O-N 2.95Å; M706-I714 HydrophobicContact CE-CG2 4.26Å; M706-I714 WeakPolarHBondContact O-CG2 3.3Å; M706-I714 HydrophobicContact SD-CD1 4.01Å; M706-I714 HydrophobicContact SD-CG1 3.95Å; M706-I714 HydrophobicContact SD-CG2 4.06Å
707	S	97.9	Very high	97.4	Very high	66 Å²	66	47.4 Å²	47.4	46%	0.462	23%	0.232	S	C	.	.	H	α-helix	trans	-71.3	-56.6	177.8	-176.5	0	0	0	0	111.8	N703 E704 G709 Q710	N703-S707 WeakPolarHBondContact O-CB 3.32Å; N703-S707 PolarHBondContact O-N 3.03Å; E704-S707 PolarHBondContact O-N 3.4Å; S707-G709 PolarHBondContact O-N 2.96Å; S707-Q710 WeakPolarHBondContact O-CB 3.2Å; S707-Q710 WeakPolarHBondContact O-CG 3.41Å; S707-Q710 PolarHBondContact O-N 2.98Å; S707-Q710 VanDerWaalsContact O-N 3.16Å
708	V	97.2	Very high	97.4	Very high	26 Å²	26	43.3 Å²	43.3	16%	0.158	22%	0.216	C	C	.	.	H	α-helix	trans	-62	-36.3	177.2	170.8	0	0	0	0	111.1	V646 E649 L650 E704 Q710 K711	V646-V708 HydrophobicContact CG1-CG1 4.45Å; E649-V708 HydrophobicContact CB-CG1 3.84Å; L650-V708 HydrophobicContact CD1-CB 4.36Å; L650-V708 HydrophobicContact CD2-CB 4.3Å; L650-V708 HydrophobicContact CD2-CG2 3.61Å; L650-V708 HydrophobicContact CG-CB 4.26Å; L650-V708 HydrophobicContact CG-CG1 4.4Å; L650-V708 HydrophobicContact CG-CG2 4.03Å; E704-V708 PolarHBondContact O-N 3.27Å; V708-Q710 VanDerWaalsContact C-N 3.25Å; V708-Q710 PolarHBondContact O-N 3.34Å; V708-K711 WeakPolarHBondContact O-CG 3.33Å
709	G	97.3	Very high	97.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-67.2	-14.1	177.8	0	0	0	0	0	115.7	V705 S707 K711 Y712 G713 I714	V705-G709 PolarHBondContact O-N 3.01Å; S707-G709 PolarHBondContact O-N 2.96Å; G709-K711 PolarHBondContact O-N 3.16Å; G709-Y712 CarbonylContact O-C 3.07Å; G709-Y712 WeakPolarHBondContact O-CA 3.3Å; G709-Y712 PolarHBondContact O-N 3.47Å; G709-G713 PolarHBondContact O-N 3.44Å; G709-G713 VanDerWaalsContact O-N 3.15Å; G709-I714 WeakPolarHBondContact O-CB 3.17Å; G709-I714 WeakPolarHBondContact O-CG2 3.37Å; G709-I714 PolarHBondContact O-N 2.96Å
710	Q	97.4	Very high	97.4	Very high	147 Å²	147	41.1 Å²	41.1	69%	0.687	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-58.3	-44.7	-175.9	-66.4	-172.1	1.7	0	0	112.7	M706 S707 V708 Y712 G713	M706-Q710 WeakPolarHBondContact O-CG 3.38Å; M706-Q710 PolarHBondContact O-N 2.95Å; S707-Q710 WeakPolarHBondContact O-CB 3.2Å; S707-Q710 WeakPolarHBondContact O-CG 3.41Å; S707-Q710 PolarHBondContact O-N 2.98Å; S707-Q710 VanDerWaalsContact O-N 3.16Å; V708-Q710 VanDerWaalsContact C-N 3.25Å; V708-Q710 PolarHBondContact O-N 3.34Å; Q710-Y712 PolarHBondContact O-N 2.87Å; Q710-G713 PolarHBondContact O-N 3.3Å
711	K	96.8	Very high	97.4	Very high	131 Å²	131	38.2 Å²	38.2	57%	0.57	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-66.3	-15.7	175.8	54	168	162.8	179.1	0	114.2	E649 V708 G709	E649-K711 WeakPolarHBondContact OE1-CE 3.34Å; E649-K711 IonicContact OE1-NZ 3.5Å; E649-K711 PolarHBondContact OE1-NZ 2.83Å; E649-K711 WeakPolarHBondContact OE2-CE 3.03Å; E649-K711 IonicContact OE2-NZ 3.7Å; E649-K711 PolarHBondContact OE2-NZ 3.03Å; V708-K711 WeakPolarHBondContact O-CG 3.33Å; G709-K711 PolarHBondContact O-N 3.16Å
712	Y	96.9	Very high	97.3	Very high	41 Å²	41	38.8 Å²	38.8	16%	0.161	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-99.8	5.2	174.7	-59.6	-57.5	0	0	0	112.9	R642 D645 V646 E649 G709 Q710	R642-Y712 HydrophobicContact CB-CD1 4.45Å; R642-Y712 HydrophobicContact CB-CG 4.31Å; D645-Y712 HydrophobicContact CB-CD1 4.47Å; D645-Y712 HydrophobicContact CB-CD2 4.43Å; D645-Y712 HydrophobicContact CB-CE1 4.02Å; D645-Y712 HydrophobicContact CB-CE2 3.95Å; V646-Y712 HydrophobicContact CG2-CD2 3.71Å; V646-Y712 HydrophobicContact CG2-CE2 4.47Å; V646-Y712 HydrophobicContact CG2-CG 4.41Å; E649-Y712 PolarHBondContact OE1-OH 2.83Å; G709-Y712 CarbonylContact O-C 3.07Å; G709-Y712 WeakPolarHBondContact O-CA 3.3Å; G709-Y712 PolarHBondContact O-N 3.47Å; Q710-Y712 PolarHBondContact O-N 2.87Å
713	G	96.1	Very high	97.1	Very high	35 Å²	35	40.6 Å²	40.6	36%	0.361	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	27.7	179.2	0	0	0	0	0	114.1	G709 Q710	G709-G713 PolarHBondContact O-N 3.44Å; G709-G713 VanDerWaalsContact O-N 3.15Å; Q710-G713 PolarHBondContact O-N 3.3Å
714	I	98	Very high	97	Very high	17 Å²	17	38 Å²	38	9%	0.087	19%	0.185	C	C	.	.			trans	-59.1	139.7	-175.3	-157.6	162.8	0	0	0	113.2	V533 V535 L638 V705 M706 G709	V533-I714 HydrophobicContact CG1-CB 3.83Å; V533-I714 HydrophobicContact CG1-CD1 4.27Å; V533-I714 HydrophobicContact CG1-CG1 3.92Å; V533-I714 HydrophobicContact CG2-CD1 4.1Å; V533-I714 HydrophobicContact CG2-CG1 4.21Å; V533-I714 WeakPolarHBondContact O-CA 3.32Å; V535-I714 HydrophobicContact CG2-CD1 3.87Å; V535-I714 HydrophobicContact CG2-CG1 4.3Å; L638-I714 HydrophobicContact CD1-CD1 3.92Å; V705-I714 HydrophobicContact CG1-CD1 3.87Å; M706-I714 HydrophobicContact CE-CG2 4.26Å; M706-I714 WeakPolarHBondContact O-CG2 3.3Å; M706-I714 HydrophobicContact SD-CD1 4.01Å; M706-I714 HydrophobicContact SD-CG1 3.95Å; M706-I714 HydrophobicContact SD-CG2 4.06Å; G709-I714 WeakPolarHBondContact O-CB 3.17Å; G709-I714 WeakPolarHBondContact O-CG2 3.37Å; G709-I714 PolarHBondContact O-N 2.96Å
715	R	97.1	Very high	96.9	Very high	154 Å²	154	35.7 Å²	35.7	58%	0.581	18%	0.175	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141.5	159.8	176.2	-66.1	-175.6	171.5	-174.2	-5.5	111.1	V533 C534 V535	V533-R715 PolarHBondContact O-N 2.86Å; C534-R715 CarbonylContact C-O 3.59Å; C534-R715 WeakPolarHBondContact CA-O 3.28Å; C534-R715 WeakPolarHBondContact CB-O 3.37Å; V535-R715 PolarHBondContact N-O 3.46Å
716	N	98	Very high	96.8	Very high	18 Å²	18	36.3 Å²	36.3	10%	0.096	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	151.3	162.4	-63.5	-49.7	0	0	0	110.4	Q481 F497 V535 Y702	Q481-N716 PolarHBondContact OE1-ND2 3.42Å; F497-N716 HydrophobicContact CD1-CB 3.86Å; F497-N716 HydrophobicContact CD2-CB 3.68Å; F497-N716 HydrophobicContact CE1-CB 3.62Å; F497-N716 HydrophobicContact CE2-CB 3.47Å; F497-N716 VanDerWaalsContact CE2-CB 3.47Å; F497-N716 HydrophobicContact CG-CB 3.89Å; F497-N716 HydrophobicContact CZ-CB 3.44Å; F497-N716 VanDerWaalsContact CZ-CB 3.44Å; V535-N716 CarbonylContact O-C 3.44Å; V535-N716 WeakPolarHBondContact O-CA 3.4Å; Y702-N716 PolarHBondContact OH-ND2 2.84Å; Y702-N716 PolarHBondContact OH-OD1 3.23Å
717	A	97.9	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.17	C	C	.	.			trans	-135.8	152.4	169	0	0	0	0	0	110	E525 C534 V535 I536 A721	E525-A717 HydrophobicContact CB-CB 3.98Å; E525-A717 HydrophobicContact CG-CB 4.16Å; C534-A717 HydrophobicContact CB-CB 3.99Å; V535-A717 PolarHBondContact O-N 2.97Å; I536-A717 HydrophobicContact CD1-CB 4.23Å; I536-A717 HydrophobicContact CG1-CB 3.98Å; I536-A717 WeakPolarHBondContact CG1-O 3.47Å; A717-A721 HydrophobicContact CB-CB 4.31Å
718	G	97.2	Very high	96.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.151	C	C	.	.			trans	-103.3	178.3	-175.1	0	0	0	0	0	114.8	P494 K495 E525 Y720 A721 L722	P494-G718 CarbonylContact O-C 3.49Å; P494-G718 WeakPolarHBondContact O-CA 3.27Å; K495-G718 CarbonylContact O-C 3.49Å; K495-G718 VanDerWaalsContact O-C 3.32Å; K495-G718 VanDerWaalsContact O-CA 3.3Å; K495-G718 WeakPolarHBondContact O-CA 3.22Å; E525-G718 PolarHBondContact OE2-N 3.37Å; G718-Y720 PolarHBondContact O-N 2.98Å; G718-A721 PolarHBondContact O-N 3.2Å; G718-A721 VanDerWaalsContact O-N 3.13Å; G718-L722 PolarHBondContact O-N 2.99Å; G718-L722 VanDerWaalsContact O-N 3.13Å
719	Y	96.1	Very high	96.1	Very high	12 Å²	12	33 Å²	33	5%	0.047	15%	0.151	C	C	.	.	H	α-helix	trans	-63	-20	178.7	-88.8	-79.3	0	0	0	114.2	R493 P494 K495 D537 M538 S540 F541 L722 R723	R493-Y719 HydrophobicContact CB-CD2 3.74Å; R493-Y719 HydrophobicContact CB-CE2 3.71Å; R493-Y719 HydrophobicContact CG-CD2 4.28Å; R493-Y719 HydrophobicContact CG-CE2 3.76Å; R493-Y719 VanDerWaalsContact NE-CE2 3.31Å; R493-Y719 VanDerWaalsContact NE-CZ 3.32Å; P494-Y719 WeakPolarHBondContact O-CD2 3.19Å; P494-Y719 PolarHBondContact O-N 3.15Å; K495-Y719 PolarHBondContact O-N 3.14Å; K495-Y719 VanDerWaalsContact O-N 3.16Å; D537-Y719 VanDerWaalsContact O-CE2 3.26Å; D537-Y719 WeakPolarHBondContact O-CE2 3.39Å; M538-Y719 WeakPolarHBondContact CA-OH 3.47Å; S540-Y719 PolarHBondContact OG-OH 3.42Å; F541-Y719 HydrophobicContact CE2-CE1 4.4Å; Y719-L722 HydrophobicContact CD1-CD2 3.64Å; Y719-L722 HydrophobicContact CE1-CD2 3.58Å; Y719-R723 WeakPolarHBondContact O-CB 3.46Å; Y719-R723 PolarHBondContact O-N 3.13Å
720	Y	96.2	Very high	95.9	Very high	17 Å²	17	34 Å²	34	7%	0.067	16%	0.156	C	C	.	.	H	α-helix	trans	-75.7	-36.3	174.8	-69.6	7	0	0	0	111.5	R460 M486 K495 Y496 W518 V522 G718 R723 S724	R460-Y720 VanDerWaalsContact CD-CZ 3.48Å; R460-Y720 WeakPolarHBondContact CD-OH 3.22Å; R460-Y720 VanDerWaalsContact NH1-CD1 3.3Å; M486-Y720 HydrophobicContact SD-CE1 4.35Å; K495-Y720 HydrophobicContact CB-CD1 4.2Å; K495-Y720 HydrophobicContact CB-CD2 4.36Å; K495-Y720 HydrophobicContact CB-CE1 3.94Å; K495-Y720 HydrophobicContact CB-CE2 4.12Å; K495-Y720 HydrophobicContact CB-CG 4.4Å; K495-Y720 HydrophobicContact CD-CE2 4.48Å; K495-Y720 HydrophobicContact CG-CE1 3.95Å; K495-Y720 WeakPolarHBondContact O-CB 3.3Å; K495-Y720 PolarHBondContact O-N 3.28Å; Y496-Y720 AromaticContact CD1-CD2 3.71Å; Y496-Y720 HydrophobicContact CD1-CD2 3.71Å; Y496-Y720 AromaticContact CD1-CE2 3.89Å; Y496-Y720 HydrophobicContact CD1-CE2 3.89Å; Y496-Y720 HydrophobicContact CD1-CG 4.5Å; Y496-Y720 HydrophobicContact CE1-CD2 4.22Å; Y496-Y720 AromaticContact CE1-CE2 3.98Å; Y496-Y720 HydrophobicContact CE1-CE2 3.98Å; W518-Y720 AromaticContact CD2-CD2 3.69Å; W518-Y720 HydrophobicContact CD2-CD2 3.69Å; W518-Y720 AromaticContact CD2-CE2 3.88Å; W518-Y720 HydrophobicContact CD2-CE2 3.88Å; W518-Y720 AromaticContact CE2-CD2 3.66Å; W518-Y720 AromaticContact CE2-CE2 3.47Å; W518-Y720 VanDerWaalsContact CE2-CE2 3.47Å; W518-Y720 AromaticContact CE3-CD2 3.8Å; W518-Y720 HydrophobicContact CE3-CD2 3.8Å; W518-Y720 HydrophobicContact CE3-CE2 4.43Å; W518-Y720 HydrophobicContact CG-CD2 4.37Å; W518-Y720 HydrophobicContact CG-CE2 4.32Å; W518-Y720 AromaticContact CH2-CD2 3.92Å; W518-Y720 HydrophobicContact CH2-CD2 3.92Å; W518-Y720 HydrophobicContact CH2-CE2 4.34Å; W518-Y720 AromaticContact CZ2-CD2 3.78Å; W518-Y720 HydrophobicContact CZ2-CD2 3.78Å; W518-Y720 AromaticContact CZ2-CE2 3.73Å; W518-Y720 HydrophobicContact CZ2-CE2 3.73Å; W518-Y720 AromaticContact CZ3-CD2 3.92Å; W518-Y720 HydrophobicContact CZ3-CD2 3.92Å; W518-Y720 AromaticContact NE1-CE2 3.68Å; V522-Y720 HydrophobicContact CG2-CD2 4.19Å; V522-Y720 HydrophobicContact CG2-CG 4.46Å; G718-Y720 PolarHBondContact O-N 2.98Å; Y720-R723 PolarHBondContact O-N 3.46Å; Y720-S724 PolarHBondContact O-N 2.89Å; Y720-S724 VanDerWaalsContact O-N 3.09Å
721	A	97.3	Very high	95.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.3	-46	170.4	0	0	0	0	0	111.2	V522 E525 V526 A717 G718 R723 S724 L725	V522-A721 HydrophobicContact CG1-CB 4.37Å; E525-A721 HydrophobicContact CB-CB 3.76Å; E525-A721 WeakPolarHBondContact OE2-CB 3.45Å; V526-A721 HydrophobicContact CG2-CB 3.74Å; A717-A721 HydrophobicContact CB-CB 4.31Å; G718-A721 PolarHBondContact O-N 3.2Å; G718-A721 VanDerWaalsContact O-N 3.13Å; A721-R723 VanDerWaalsContact C-N 3.26Å; A721-R723 PolarHBondContact O-N 3.18Å; A721-S724 PolarHBondContact O-N 2.82Å; A721-S724 VanDerWaalsContact O-N 3.14Å; A721-L725 WeakPolarHBondContact O-CG 3.49Å; A721-L725 PolarHBondContact O-N 3.21Å
722	L	96	Very high	95.5	Very high	11 Å²	11	24.6 Å²	24.6	6%	0.058	12%	0.115	C	C	.	.	H	α-helix	trans	-54.4	-41.7	172.1	174.5	58.6	0	0	0	112	I536 M538 H683 T684 G718 Y719 R726	I536-L722 HydrophobicContact CD1-CB 3.95Å; M538-L722 HydrophobicContact CE-CD2 3.68Å; M538-L722 HydrophobicContact SD-CD2 3.9Å; H683-L722 HydrophobicContact CB-CD1 4.12Å; H683-L722 WeakPolarHBondContact O-CD1 3.32Å; T684-L722 HydrophobicContact CG2-CD1 3.42Å; T684-L722 VanDerWaalsContact CG2-CD1 3.42Å; G718-L722 PolarHBondContact O-N 2.99Å; G718-L722 VanDerWaalsContact O-N 3.13Å; Y719-L722 HydrophobicContact CD1-CD2 3.64Å; Y719-L722 HydrophobicContact CE1-CD2 3.58Å; L722-R726 WeakPolarHBondContact O-CB 3.42Å; L722-R726 WeakPolarHBondContact O-CG 3.34Å; L722-R726 PolarHBondContact O-N 3.4Å
723	R	94.9	Very high	95.3	Very high	41 Å²	41	24.6 Å²	24.6	16%	0.155	12%	0.116	C	C	.	.	H	α-helix	trans	-64.4	-42.3	177.3	-173.4	-177.8	178.6	87.4	3.7	112.5	Y719 Y720 A721 I727 S814 A815	Y719-R723 WeakPolarHBondContact O-CB 3.46Å; Y719-R723 PolarHBondContact O-N 3.13Å; Y720-R723 PolarHBondContact O-N 3.46Å; A721-R723 VanDerWaalsContact C-N 3.26Å; A721-R723 PolarHBondContact O-N 3.18Å; R723-I727 HydrophobicContact CG-CD1 3.92Å; R723-I727 WeakPolarHBondContact O-CB 3.42Å; R723-I727 WeakPolarHBondContact O-CG1 3.48Å; R723-I727 PolarHBondContact O-N 3.39Å; R723-S814 PolarHBondContact NE-O 2.76Å; R723-S814 PolarHBondContact NH2-O 2.9Å; R723-S814 VanDerWaalsContact NH2-O 3.15Å; R723-A815 HydrophobicContact CG-CB 4.45Å
724	S	95.9	Very high	95.1	Very high	4 Å²	4	23 Å²	23	3%	0.028	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-51.7	176.3	-179.8	0	0	0	0	110.8	Y720 A721 R726 I727 E728 Y816	Y720-S724 PolarHBondContact O-N 2.89Å; Y720-S724 VanDerWaalsContact O-N 3.09Å; A721-S724 PolarHBondContact O-N 2.82Å; A721-S724 VanDerWaalsContact O-N 3.14Å; S724-R726 PolarHBondContact O-N 3.25Å; S724-I727 PolarHBondContact O-N 2.9Å; S724-E728 PolarHBondContact O-N 3.3Å; S724-Y816 PolarHBondContact OG-O 2.86Å
725	L	95.6	Very high	94.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-57.7	-50.7	179.8	-67.2	168.7	0	0	0	112.4	V526 C529 K530 I639 T684 E686 A721 I727 E728 K729	V526-L725 HydrophobicContact CG1-CD2 3.97Å; V526-L725 HydrophobicContact CG1-CG 4.46Å; V526-L725 HydrophobicContact CG2-CG 4.49Å; C529-L725 HydrophobicContact CB-CD1 3.73Å; K530-L725 HydrophobicContact CD-CD2 4.41Å; K530-L725 VanDerWaalsContact CE-CD2 3.49Å; K530-L725 HydrophobicContact CG-CD2 4.26Å; I639-L725 HydrophobicContact CD1-CD1 4.26Å; T684-L725 HydrophobicContact CG2-CB 4.04Å; T684-L725 HydrophobicContact CG2-CD1 3.58Å; T684-L725 HydrophobicContact CG2-CG 4.46Å; E686-L725 HydrophobicContact CG-CD2 3.98Å; A721-L725 WeakPolarHBondContact O-CG 3.49Å; A721-L725 PolarHBondContact O-N 3.21Å; L725-I727 VanDerWaalsContact C-N 3.29Å; L725-I727 PolarHBondContact O-N 3.09Å; L725-E728 PolarHBondContact O-N 2.98Å; L725-K729 WeakPolarHBondContact O-CG 3.43Å; L725-K729 PolarHBondContact O-N 3.11Å
726	R	94.3	Very high	94.2	Very high	13 Å²	13	20.1 Å²	20.1	5%	0.049	10%	0.099	C	C	.	.	H	α-helix	trans	-64.7	-33.5	-177.5	80.4	86	176.9	170.1	-3.7	112.4	L722 S724 F730 F731 D737 S813	L722-R726 WeakPolarHBondContact O-CB 3.42Å; L722-R726 WeakPolarHBondContact O-CG 3.34Å; L722-R726 PolarHBondContact O-N 3.4Å; S724-R726 PolarHBondContact O-N 3.25Å; R726-F730 PolarHBondContact O-N 2.73Å; R726-F731 HydrophobicContact CB-CB 4.11Å; R726-F731 HydrophobicContact CB-CD2 4.46Å; R726-F731 WeakPolarHBondContact CD-O 3.35Å; R726-F731 PolarHBondContact NH1-O 3.47Å; R726-F731 WeakPolarHBondContact O-CB 3.46Å; R726-F731 PolarHBondContact O-N 2.84Å; R726-D737 IonicContact CZ-OD2 2.71Å; R726-D737 IonicContact NH1-OD2 3.13Å; R726-D737 PolarHBondContact NH1-OD2 3.38Å; R726-D737 IonicContact NH2-OD2 3.51Å; R726-D737 PolarHBondContact NH2-OD2 2.85Å; R726-S813 PolarHBondContact NH2-OG 3.27Å
727	I	95.1	Very high	94	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-73	-41.4	178.2	-74.4	178.6	0	0	0	110.8	R723 S724 L725 K729 F730 S814 A815 V824 L826	R723-I727 HydrophobicContact CG-CD1 3.92Å; R723-I727 WeakPolarHBondContact O-CB 3.42Å; R723-I727 WeakPolarHBondContact O-CG1 3.48Å; R723-I727 PolarHBondContact O-N 3.39Å; S724-I727 PolarHBondContact O-N 2.9Å; L725-I727 VanDerWaalsContact C-N 3.29Å; L725-I727 PolarHBondContact O-N 3.09Å; I727-K729 VanDerWaalsContact C-N 3.29Å; I727-K729 PolarHBondContact O-N 2.94Å; I727-F730 PolarHBondContact O-N 3.47Å; I727-S814 VanDerWaalsContact CD1-O 3.28Å; I727-S814 WeakPolarHBondContact CD1-O 3.23Å; I727-A815 HydrophobicContact CB-CB 4.36Å; I727-A815 HydrophobicContact CD1-CB 3.79Å; I727-A815 HydrophobicContact CG2-CB 4.43Å; I727-V824 HydrophobicContact CG2-CB 3.87Å; I727-V824 HydrophobicContact CG2-CG1 3.56Å; I727-L826 HydrophobicContact CG1-CD1 4.16Å; I727-L826 HydrophobicContact CG2-CD1 4.39Å; I727-L826 HydrophobicContact CG2-CD2 4.23Å; I727-L826 HydrophobicContact CG2-CG 4.08Å
728	E	93.6	Very high	93.9	Very high	15 Å²	15	19.5 Å²	19.5	7%	0.07	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-37.7	174.4	-170	-175.8	104	0	0	112.4	K530 S724 L725 F730 S817 T819 P869	K530-E728 IonicContact NZ-OE1 3.62Å; K530-E728 PolarHBondContact NZ-OE1 3.29Å; K530-E728 IonicContact NZ-OE2 2.79Å; S724-E728 PolarHBondContact O-N 3.3Å; L725-E728 PolarHBondContact O-N 2.98Å; E728-F730 VanDerWaalsContact C-N 3.27Å; E728-F730 PolarHBondContact O-N 2.83Å; E728-S817 PolarHBondContact OE2-OG 3.34Å; E728-T819 PolarHBondContact OE1-OG1 2.83Å; E728-T819 VanDerWaalsContact OE1-OG1 3.05Å; E728-T819 WeakPolarHBondContact OE2-CB 3.4Å; E728-T819 PolarHBondContact OE2-OG1 3.29Å; E728-P869 WeakPolarHBondContact O-CB 3.24Å
729	K	91.4	Very high	93.7	Very high	36 Å²	36	20.8 Å²	20.8	16%	0.157	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	6.8	174.7	-56.1	-65.8	175	129.3	0	114.5	T684 G685 E686 L725 I727 F731	T684-K729 VanDerWaalsContact O-CG 3.23Å; T684-K729 WeakPolarHBondContact O-CG 3.4Å; G685-K729 PolarHBondContact O-NZ 3.1Å; E686-K729 WeakPolarHBondContact OE1-CE 3.45Å; E686-K729 IonicContact OE1-NZ 3.2Å; E686-K729 PolarHBondContact OE1-NZ 2.88Å; E686-K729 IonicContact OE2-NZ 2.78Å; E686-K729 PolarHBondContact OE2-NZ 3.3Å; L725-K729 WeakPolarHBondContact O-CG 3.43Å; L725-K729 PolarHBondContact O-N 3.11Å; I727-K729 VanDerWaalsContact C-N 3.29Å; I727-K729 PolarHBondContact O-N 2.94Å; K729-F731 VanDerWaalsContact C-N 3.26Å; K729-F731 HydrophobicContact CB-CD1 4.06Å; K729-F731 HydrophobicContact CB-CE1 3.99Å; K729-F731 HydrophobicContact CB-CG 4.41Å; K729-F731 HydrophobicContact CB-CZ 4.29Å; K729-F731 VanDerWaalsContact O-CD1 3.3Å; K729-F731 WeakPolarHBondContact O-CD1 3.38Å; K729-F731 PolarHBondContact O-N 3.25Å
730	F	93.2	Very high	93.6	Very high	21 Å²	21	21.2 Å²	21.2	9%	0.092	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	30.2	178.8	-164.1	-133.4	0	0	0	114.6	R726 I727 E728 R749 F779 V780 M781 L826 L867 P869	R726-F730 PolarHBondContact O-N 2.73Å; I727-F730 PolarHBondContact O-N 3.47Å; E728-F730 VanDerWaalsContact C-N 3.27Å; E728-F730 PolarHBondContact O-N 2.83Å; F730-R749 PolarHBondContact O-NH2 3.07Å; F730-F779 HydrophobicContact CD2-CD1 4.3Å; F730-F779 AromaticContact CD2-CE1 3.93Å; F730-F779 HydrophobicContact CD2-CE1 3.93Å; F730-F779 HydrophobicContact CE1-CD1 4.16Å; F730-F779 AromaticContact CE2-CD1 3.43Å; F730-F779 HydrophobicContact CE2-CD1 3.43Å; F730-F779 VanDerWaalsContact CE2-CD1 3.43Å; F730-F779 AromaticContact CE2-CE1 3.42Å; F730-F779 HydrophobicContact CE2-CE1 3.42Å; F730-F779 VanDerWaalsContact CE2-CE1 3.42Å; F730-F779 HydrophobicContact CE2-CG 4.34Å; F730-F779 HydrophobicContact CE2-CZ 4.33Å; F730-F779 AromaticContact CZ-CD1 3.35Å; F730-F779 HydrophobicContact CZ-CD1 3.35Å; F730-F779 AromaticContact CZ-CE1 3.84Å; F730-F779 HydrophobicContact CZ-CE1 3.84Å; F730-F779 HydrophobicContact CZ-CG 4.19Å; F730-V780 VanDerWaalsContact CE2-C 3.47Å; F730-M781 HydrophobicContact CD2-CB 3.81Å; F730-M781 HydrophobicContact CE2-CB 3.87Å; F730-L826 HydrophobicContact CD2-CD1 4.31Å; F730-L826 HydrophobicContact CD2-CD2 3.7Å; F730-L826 HydrophobicContact CE2-CD2 4.06Å; F730-L867 VanDerWaalsContact CE1-O 3.3Å; F730-L867 WeakPolarHBondContact CE1-O 3.41Å; F730-P869 HydrophobicContact CB-CB 3.93Å; F730-P869 HydrophobicContact CB-CG 4.2Å
731	F	91.9	Very high	93.5	Very high	71 Å²	71	23.3 Å²	23.3	31%	0.311	12%	0.116	S	C	.	.			trans	-81.6	120.1	173.5	-66.5	0.3	0	0	0	109.4	R726 K729	R726-F731 HydrophobicContact CB-CB 4.11Å; R726-F731 HydrophobicContact CB-CD2 4.46Å; R726-F731 WeakPolarHBondContact CD-O 3.35Å; R726-F731 PolarHBondContact NH1-O 3.47Å; R726-F731 WeakPolarHBondContact O-CB 3.46Å; R726-F731 PolarHBondContact O-N 2.84Å; K729-F731 VanDerWaalsContact C-N 3.26Å; K729-F731 HydrophobicContact CB-CD1 4.06Å; K729-F731 HydrophobicContact CB-CE1 3.99Å; K729-F731 HydrophobicContact CB-CG 4.41Å; K729-F731 HydrophobicContact CB-CZ 4.29Å; K729-F731 VanDerWaalsContact O-CD1 3.3Å; K729-F731 WeakPolarHBondContact O-CD1 3.38Å; K729-F731 PolarHBondContact O-N 3.25Å
732	A	92.6	Very high	93.4	Very high	10 Å²	10	23.4 Å²	23.4	8%	0.083	12%	0.117	C	C	.	.			trans	-75.8	159.9	169.8	0	0	0	0	0	110.8	D737 L738 R749 F779	A732-D737 WeakPolarHBondContact CA-OD2 3.44Å; A732-D737 HydrophobicContact CB-CB 3.66Å; A732-L738 HydrophobicContact CB-CD1 4.25Å; A732-L738 HydrophobicContact CB-CD2 3.76Å; A732-L738 HydrophobicContact CB-CG 3.91Å; A732-R749 VanDerWaalsContact CB-NH1 3.29Å; A732-F779 HydrophobicContact CB-CE1 4Å; A732-F779 HydrophobicContact CB-CZ 4.01Å
733	F	92.1	Very high	93.5	Very high	41 Å²	41	23.1 Å²	23.1	18%	0.18	12%	0.115	C	C	.	.			trans	-128.2	128.6	173.5	-145.6	-103.5	0	0	0	110.1	F541 P603 Q736 D737 L738	F541-F733 HydrophobicContact CZ-CE2 4.19Å; F541-F733 AromaticContact CZ-CZ 3.91Å; F541-F733 HydrophobicContact CZ-CZ 3.91Å; P603-F733 HydrophobicContact CB-CE1 3.68Å; P603-F733 HydrophobicContact CB-CZ 3.72Å; P603-F733 HydrophobicContact CG-CE1 4.1Å; P603-F733 HydrophobicContact CG-CE2 4.28Å; P603-F733 HydrophobicContact CG-CZ 3.88Å; F733-Q736 PolarHBondContact O-N 2.91Å; F733-D737 PolarHBondContact N-OD2 3.11Å; F733-D737 PolarHBondContact O-N 2.77Å; F733-L738 PolarHBondContact O-N 3.48Å
734	W	93.1	Very high	93.6	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.008	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-64.1	145.1	176.8	-172.9	107	0	0	0	111.6	W425 Y584 E585 D587 Q606 H609 Q736 L738	W425-W734 AromaticContact CD2-CH2 3.54Å; W425-W734 HydrophobicContact CD2-CH2 3.54Å; W425-W734 AromaticContact CD2-CZ3 3.94Å; W425-W734 HydrophobicContact CD2-CZ3 3.94Å; W425-W734 AromaticContact CE2-CH2 3.47Å; W425-W734 VanDerWaalsContact CE2-CH2 3.47Å; W425-W734 AromaticContact CE2-CZ3 3.36Å; W425-W734 AromaticContact CE3-CH2 3.74Å; W425-W734 HydrophobicContact CE3-CH2 3.74Å; W425-W734 HydrophobicContact CE3-CZ3 4.47Å; W425-W734 HydrophobicContact CG-CH2 4.19Å; W425-W734 AromaticContact CH2-CH2 3.85Å; W425-W734 HydrophobicContact CH2-CH2 3.85Å; W425-W734 HydrophobicContact CH2-CZ3 4.04Å; W425-W734 AromaticContact CZ2-CH2 3.65Å; W425-W734 HydrophobicContact CZ2-CH2 3.65Å; W425-W734 AromaticContact CZ2-CZ3 3.44Å; W425-W734 HydrophobicContact CZ2-CZ3 3.44Å; W425-W734 VanDerWaalsContact CZ2-CZ3 3.44Å; W425-W734 AromaticContact CZ3-CH2 3.89Å; W425-W734 HydrophobicContact CZ3-CH2 3.89Å; W425-W734 AromaticContact NE1-CH2 3.98Å; W425-W734 AromaticContact NE1-CZ3 3.59Å; Y584-W734 PolarHBondContact O-NE1 3.26Å; E585-W734 WeakPolarHBondContact O-CZ2 3.46Å; E585-W734 PolarHBondContact O-NE1 2.84Å; D587-W734 HydrophobicContact CB-CB 4.08Å; Q606-W734 VanDerWaalsContact CD-CD2 3.45Å; Q606-W734 VanDerWaalsContact CD-CE3 3.43Å; Q606-W734 HydrophobicContact CG-CD2 3.74Å; Q606-W734 HydrophobicContact CG-CE3 3.21Å; Q606-W734 HydrophobicContact CG-CH2 3.86Å; Q606-W734 HydrophobicContact CG-CZ2 4.31Å; Q606-W734 HydrophobicContact CG-CZ3 3.29Å; H609-W734 AromaticContact CD2-CH2 3.99Å; H609-W734 AromaticContact CD2-CZ2 3.88Å; H609-W734 AromaticContact NE2-CZ2 3.89Å; W734-Q736 PolarHBondContact O-N 2.97Å; W734-L738 HydrophobicContact CB-CB 4.1Å; W734-L738 HydrophobicContact CB-CD1 4.46Å; W734-L738 HydrophobicContact CG-CB 4.27Å
735	G	86.8	Confident	93.6	Very high	30 Å²	30	21.4 Å²	21.4	31%	0.309	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	-0.8	-171.3	0	0	0	0	0	114.3	L738	G735-L738 PolarHBondContact N-O 2.95Å
736	Q	89.9	Confident	93.6	Very high	79 Å²	79	22.2 Å²	22.2	37%	0.369	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	-55.8	172.7	-72.5	170.1	55.6	0	0	111	F733 W734 T812	F733-Q736 PolarHBondContact O-N 2.91Å; W734-Q736 PolarHBondContact O-N 2.97Å; Q736-T812 WeakPolarHBondContact O-CB 3.49Å
737	D	94.1	Very high	93.6	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.021	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-22.8	-177	-53	-53.6	0	0	0	112.8	R726 A732 F733 F779 T812 S813 F828	R726-D737 IonicContact CZ-OD2 2.71Å; R726-D737 IonicContact NH1-OD2 3.13Å; R726-D737 PolarHBondContact NH1-OD2 3.38Å; R726-D737 IonicContact NH2-OD2 3.51Å; R726-D737 PolarHBondContact NH2-OD2 2.85Å; A732-D737 WeakPolarHBondContact CA-OD2 3.44Å; A732-D737 HydrophobicContact CB-CB 3.66Å; F733-D737 PolarHBondContact N-OD2 3.11Å; F733-D737 PolarHBondContact O-N 2.77Å; D737-F779 HydrophobicContact CB-CE2 3.94Å; D737-F779 HydrophobicContact CB-CZ 3.96Å; D737-T812 WeakPolarHBondContact OD1-CB 3.39Å; D737-T812 PolarHBondContact OD1-OG1 2.72Å; D737-S813 VanDerWaalsContact CG-OG 3.29Å; D737-S813 VanDerWaalsContact OD1-CB 3.24Å; D737-S813 WeakPolarHBondContact OD1-CB 3.19Å; D737-S813 PolarHBondContact OD1-OG 2.81Å; D737-S813 PolarHBondContact OD2-OG 3.05Å; D737-F828 WeakPolarHBondContact O-CE2 3.45Å
738	L	94.5	Very high	93.4	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-119.8	145.5	175.8	-41.8	174.9	0	0	0	110	Y584 D587 A732 F733 W734 G735 T742 C747	Y584-L738 HydrophobicContact CD2-CB 4.16Å; Y584-L738 HydrophobicContact CD2-CD1 4.21Å; Y584-L738 HydrophobicContact CD2-CD2 4.3Å; Y584-L738 HydrophobicContact CD2-CG 4.47Å; Y584-L738 HydrophobicContact CE2-CD1 4.21Å; Y584-L738 HydrophobicContact CE2-CD2 4.21Å; D587-L738 HydrophobicContact CB-CD1 4.04Å; A732-L738 HydrophobicContact CB-CD1 4.25Å; A732-L738 HydrophobicContact CB-CD2 3.76Å; A732-L738 HydrophobicContact CB-CG 3.91Å; F733-L738 PolarHBondContact O-N 3.48Å; W734-L738 HydrophobicContact CB-CB 4.1Å; W734-L738 HydrophobicContact CB-CD1 4.46Å; W734-L738 HydrophobicContact CG-CB 4.27Å; G735-L738 PolarHBondContact N-O 2.95Å; L738-T742 HydrophobicContact CD2-CG2 3.91Å; L738-C747 WeakPolarHBondContact CD2-SG 3.48Å
739	D	93.1	Very high	93.3	Very high	28 Å²	28	22.9 Å²	22.9	15%	0.15	12%	0.123	C	C	.	.			trans	-153.3	-178.9	177.6	62.4	20.7	0	0	0	110.4	N423 Y584 F741 T742	N423-D739 VanDerWaalsContact ND2-CB 3.26Å; N423-D739 WeakPolarHBondContact ND2-CB 3.27Å; N423-D739 VanDerWaalsContact ND2-CG 3.35Å; N423-D739 PolarHBondContact ND2-OD2 3.32Å; Y584-D739 PolarHBondContact N-O 2.65Å; Y584-D739 CarbonylContact O-C 3.51Å; Y584-D739 VanDerWaalsContact O-C 3.24Å; D739-F741 PolarHBondContact O-N 3.22Å; D739-F741 WeakPolarHBondContact OD1-CA 3.43Å; D739-F741 WeakPolarHBondContact OD1-CB 3.39Å; D739-F741 PolarHBondContact OD1-N 3.44Å; D739-T742 PolarHBondContact O-N 3.18Å; D739-T742 WeakPolarHBondContact OD1-CB 3.49Å; D739-T742 PolarHBondContact OD1-N 3.11Å; D739-T742 PolarHBondContact OD1-OG1 2.96Å
740	T	93.9	Very high	93.4	Very high	21 Å²	21	24.8 Å²	24.8	13%	0.129	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-0.9	-179	61.2	0	0	0	0	114.9	N579 R581 Y584 E585	N579-T740 PolarHBondContact ND2-O 3.36Å; R581-T740 PolarHBondContact NH2-O 2.68Å; Y584-T740 WeakPolarHBondContact O-CA 3.46Å; Y584-T740 PolarHBondContact O-N 3.4Å; E585-T740 VanDerWaalsContact CD-CG2 3.45Å; E585-T740 VanDerWaalsContact OE1-CB 3.28Å; E585-T740 WeakPolarHBondContact OE1-CB 3.33Å; E585-T740 WeakPolarHBondContact OE1-CG2 3.31Å; E585-T740 WeakPolarHBondContact OE2-CG2 3.31Å
741	F	94.3	Very high	93.3	Very high	61 Å²	61	31.2 Å²	31.2	27%	0.268	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-15.2	173.1	-70.3	-101.1	0	0	0	112.4	P420 A422 N423 D739 R777	P420-F741 VanDerWaalsContact O-CZ 3.31Å; P420-F741 WeakPolarHBondContact O-CZ 3.23Å; A422-F741 WeakPolarHBondContact O-CE2 3.44Å; N423-F741 HydrophobicContact CB-CD2 3.94Å; N423-F741 HydrophobicContact CB-CE2 4.11Å; N423-F741 VanDerWaalsContact N-CE2 3.33Å; D739-F741 PolarHBondContact O-N 3.22Å; D739-F741 WeakPolarHBondContact OD1-CA 3.43Å; D739-F741 WeakPolarHBondContact OD1-CB 3.39Å; D739-F741 PolarHBondContact OD1-N 3.44Å; F741-R777 PolarHBondContact O-NH2 3.2Å
742	T	95.8	Very high	93.3	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.152	C	C	.	.			trans	-90.3	123.7	-172.9	-60.7	0	0	0	0	110.7	G583 Y584 L738 D739 E746 C747 R777 F828	G583-T742 WeakPolarHBondContact CA-O 3.44Å; Y584-T742 WeakPolarHBondContact CD2-O 3.4Å; Y584-T742 PolarHBondContact N-O 2.93Å; L738-T742 HydrophobicContact CD2-CG2 3.91Å; D739-T742 PolarHBondContact O-N 3.18Å; D739-T742 WeakPolarHBondContact OD1-CB 3.49Å; D739-T742 PolarHBondContact OD1-N 3.11Å; D739-T742 PolarHBondContact OD1-OG1 2.96Å; T742-E746 WeakPolarHBondContact CA-OE2 3.41Å; T742-C747 WeakPolarHBondContact CG2-SG 3.14Å; T742-R777 VanDerWaalsContact CA-NH2 3.29Å; T742-R777 PolarHBondContact OG1-NH2 3.17Å; T742-F828 HydrophobicContact CG2-CE1 4.18Å; T742-F828 HydrophobicContact CG2-CE2 4.47Å; T742-F828 HydrophobicContact CG2-CZ 3.58Å
743	T	97.2	Very high	93.4	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.031	15%	0.152	C	C	.	.			trans	-97.3	158.6	-177.8	84.7	0	0	0	0	112.7	L745 E746 C747 L767 Q770	T743-L745 VanDerWaalsContact C-N 3.25Å; T743-L745 PolarHBondContact O-N 2.97Å; T743-L745 PolarHBondContact OG1-N 3.34Å; T743-E746 PolarHBondContact N-OE2 3.44Å; T743-E746 PolarHBondContact O-N 3.48Å; T743-E746 WeakPolarHBondContact OG1-CG 3.47Å; T743-E746 PolarHBondContact OG1-N 2.73Å; T743-C747 PolarHBondContact O-N 3.47Å; T743-L767 HydrophobicContact CG2-CD2 4.3Å; T743-Q770 PolarHBondContact OG1-OE1 2.8Å
744	P	96.6	Very high	93.7	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-35.1	171	-25.8	34	0	0	0	114	L578 G582 Y584 C747 G748 R749 V753 L767	L578-P744 HydrophobicContact CD1-CG 4.12Å; L578-P744 HydrophobicContact CD2-CG 4.15Å; G582-P744 WeakPolarHBondContact O-CD 3.48Å; Y584-P744 HydrophobicContact CE1-CG 4.34Å; Y584-P744 HydrophobicContact CE2-CG 4.14Å; P744-C747 PolarHBondContact O-N 2.83Å; P744-G748 PolarHBondContact O-N 3.24Å; P744-R749 CarbonylContact O-C 3.32Å; P744-R749 WeakPolarHBondContact O-CA 3.47Å; P744-R749 PolarHBondContact O-N 3.45Å; P744-V753 HydrophobicContact CB-CG2 3.56Å; P744-V753 HydrophobicContact CG-CG2 3.74Å; P744-L767 HydrophobicContact CG-CD1 4.06Å
745	L	95.9	Very high	93.8	Very high	9 Å²	9	31.9 Å²	31.9	5%	0.047	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-41.7	-179.8	-70.3	86.2	0	0	0	111.4	T743 C747 G748 F755 L767 R771 V775 R778	T743-L745 VanDerWaalsContact C-N 3.25Å; T743-L745 PolarHBondContact O-N 2.97Å; T743-L745 PolarHBondContact OG1-N 3.34Å; L745-C747 PolarHBondContact O-N 3.01Å; L745-G748 PolarHBondContact O-N 3.49Å; L745-F755 HydrophobicContact CD1-CZ 4.32Å; L745-L767 HydrophobicContact CD1-CB 3.96Å; L745-L767 HydrophobicContact CD1-CD1 4.28Å; L745-L767 HydrophobicContact CD1-CD2 3.74Å; L745-L767 HydrophobicContact CD1-CG 4.2Å; L745-R771 HydrophobicContact CD2-CB 4.01Å; L745-V775 HydrophobicContact CB-CG1 3.74Å; L745-R778 PolarHBondContact O-NH1 2.87Å
746	E	95.8	Very high	94.1	Very high	17 Å²	17	35.7 Å²	35.7	8%	0.079	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.6	175.7	-66.6	177.1	139.4	0	0	111.7	T742 T743 V775 R777 R778 F779 F828	T742-E746 WeakPolarHBondContact CA-OE2 3.41Å; T743-E746 PolarHBondContact N-OE2 3.44Å; T743-E746 PolarHBondContact O-N 3.48Å; T743-E746 WeakPolarHBondContact OG1-CG 3.47Å; T743-E746 PolarHBondContact OG1-N 2.73Å; E746-V775 HydrophobicContact CG-CB 4.39Å; E746-V775 HydrophobicContact CG-CG1 4.01Å; E746-R777 HydrophobicContact CG-CG 4.1Å; E746-R777 WeakPolarHBondContact OE1-CG 3.5Å; E746-R777 IonicContact OE1-CZ 2.71Å; E746-R777 IonicContact OE1-NE 3.69Å; E746-R777 PolarHBondContact OE1-NE 3.29Å; E746-R777 IonicContact OE1-NH2 3.25Å; E746-R777 IonicContact OE2-CZ 2.58Å; E746-R777 IonicContact OE2-NE 3.71Å; E746-R777 PolarHBondContact OE2-NE 3.24Å; E746-R777 IonicContact OE2-NH2 2.7Å; E746-R777 PolarHBondContact OE2-NH2 3.09Å; E746-R778 WeakPolarHBondContact O-CA 3.15Å; E746-R778 WeakPolarHBondContact O-CD 3.46Å; E746-F779 PolarHBondContact O-N 3.49Å; E746-F828 HydrophobicContact CB-CE1 4.19Å
747	C	94.4	Very high	94.2	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.034	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.3	175.4	-70.6	0	0	0	0	115.5	L738 T742 T743 P744 L745 R749	L738-C747 WeakPolarHBondContact CD2-SG 3.48Å; T742-C747 WeakPolarHBondContact CG2-SG 3.14Å; T743-C747 PolarHBondContact O-N 3.47Å; P744-C747 PolarHBondContact O-N 2.83Å; L745-C747 PolarHBondContact O-N 3.01Å; C747-R749 HydrophobicContact CB-CB 4.46Å; C747-R749 HydrophobicContact CB-CG 4.01Å; C747-R749 PolarHBondContact O-N 2.73Å
748	G	91.2	Very high	94	Very high	24 Å²	24	40.8 Å²	40.8	25%	0.247	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	26.4	-172.4	0	0	0	0	0	114	P744 L745	P744-G748 PolarHBondContact O-N 3.24Å; L745-G748 PolarHBondContact O-N 3.49Å
749	R	91.8	Very high	93.9	Very high	14 Å²	14	43 Å²	43	5%	0.053	22%	0.217	C	C	.	.			trans	-106.8	24.1	-179.8	-61.9	-163.3	-178.3	89.4	20.8	113.7	F730 A732 P744 C747 F751 R752	F730-R749 PolarHBondContact O-NH2 3.07Å; A732-R749 VanDerWaalsContact CB-NH1 3.29Å; P744-R749 CarbonylContact O-C 3.32Å; P744-R749 WeakPolarHBondContact O-CA 3.47Å; P744-R749 PolarHBondContact O-N 3.45Å; C747-R749 HydrophobicContact CB-CB 4.46Å; C747-R749 HydrophobicContact CB-CG 4.01Å; C747-R749 PolarHBondContact O-N 2.73Å; R749-F751 HydrophobicContact CB-CE1 4.44Å; R749-F751 HydrophobicContact CG-CE1 4.43Å; R749-F751 PolarHBondContact O-N 2.95Å; R749-F751 VanDerWaalsContact O-N 3.13Å; R749-R752 HydrophobicContact CB-CG 4.45Å; R749-R752 WeakPolarHBondContact O-CB 3.32Å; R749-R752 PolarHBondContact O-N 2.97Å
750	E	93	Very high	94	Very high	75 Å²	75	45.2 Å²	45.2	35%	0.35	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-52.2	-33.1	175.3	-172.7	176	-172.6	0	0	112.8	R752 V753 F755 R771	E750-R752 PolarHBondContact O-N 2.75Å; E750-V753 PolarHBondContact O-N 2.91Å; E750-F755 HydrophobicContact CG-CE2 4.14Å; E750-R771 IonicContact OE1-CZ 2.75Å; E750-R771 IonicContact OE1-NE 3.18Å; E750-R771 PolarHBondContact OE1-NE 3.29Å; E750-R771 IonicContact OE1-NH2 2.67Å; E750-R771 PolarHBondContact OE1-NH2 3.46Å
751	F	91.2	Very high	94.2	Very high	156 Å²	156	44.3 Å²	44.3	68%	0.684	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-63.1	-9.5	174.3	72.7	-91	0	0	0	115	R749	R749-F751 HydrophobicContact CB-CE1 4.44Å; R749-F751 HydrophobicContact CG-CE1 4.43Å; R749-F751 PolarHBondContact O-N 2.95Å; R749-F751 VanDerWaalsContact O-N 3.13Å
752	R	91.3	Very high	94.3	Very high	35 Å²	35	42 Å²	42	13%	0.132	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-99.1	9	173.3	-56.3	-173.7	178.6	177	-8.6	112.9	N563 H574 R749 E750	N563-R752 VanDerWaalsContact CB-O 3.3Å; N563-R752 WeakPolarHBondContact CB-O 3.22Å; H574-R752 PolarHBondContact CE1-NH1 2.81Å; H574-R752 VanDerWaalsContact ND1-CZ 3.32Å; H574-R752 PolarHBondContact ND1-NH1 2.75Å; H574-R752 PolarHBondContact ND1-NH2 3.02Å; H574-R752 PolarHBondContact NE2-NH1 3.49Å; H574-R752 VanDerWaalsContact NE2-NH1 3.2Å; R749-R752 HydrophobicContact CB-CG 4.45Å; R749-R752 WeakPolarHBondContact O-CB 3.32Å; R749-R752 PolarHBondContact O-N 2.97Å; E750-R752 PolarHBondContact O-N 2.75Å
753	V	96.6	Very high	94.4	Very high	12 Å²	12	42.4 Å²	42.4	7%	0.073	22%	0.218	C	C	.	.			trans	-121.3	119.8	-179.1	-177.2	0	0	0	0	109.2	A562 P744 E750 F755 F761 L767	A562-V753 HydrophobicContact CB-CG1 4.18Å; A562-V753 HydrophobicContact CB-CG2 4.12Å; A562-V753 CarbonylContact O-C 3.59Å; A562-V753 WeakPolarHBondContact O-CA 3.08Å; P744-V753 HydrophobicContact CB-CG2 3.56Å; P744-V753 HydrophobicContact CG-CG2 3.74Å; E750-V753 PolarHBondContact O-N 2.91Å; V753-F755 HydrophobicContact CB-CD2 4.1Å; V753-F755 HydrophobicContact CB-CE2 3.55Å; V753-F755 HydrophobicContact CB-CZ 4.1Å; V753-F755 HydrophobicContact CG1-CD1 4.33Å; V753-F755 HydrophobicContact CG1-CD2 3.69Å; V753-F755 HydrophobicContact CG1-CE1 4.04Å; V753-F755 HydrophobicContact CG1-CE2 3.32Å; V753-F755 HydrophobicContact CG1-CG 4.2Å; V753-F755 HydrophobicContact CG1-CZ 3.53Å; V753-F755 WeakPolarHBondContact O-CD2 3.37Å; V753-F755 PolarHBondContact O-N 3.22Å; V753-F761 HydrophobicContact CG1-CE1 4.25Å; V753-F761 HydrophobicContact CG1-CE2 4.12Å; V753-F761 HydrophobicContact CG1-CZ 3.45Å; V753-F761 VanDerWaalsContact CG1-CZ 3.45Å; V753-L767 HydrophobicContact CG1-CD1 4.01Å; V753-L767 HydrophobicContact CG2-CD1 4.26Å
754	K	97	Very high	94.4	Very high	74 Å²	74	45.3 Å²	45.3	32%	0.322	23%	0.228	S	C	.	.			trans	-98.7	83.1	-177.9	-169.6	76.4	175	137.3	0	109.6	A562 D564 D756 K757 F761	A562-K754 PolarHBondContact O-N 3.17Å; D564-K754 HydrophobicContact CB-CB 4.15Å; D564-K754 HydrophobicContact CB-CG 3.94Å; K754-D756 WeakPolarHBondContact CD-OD1 3.38Å; K754-D756 WeakPolarHBondContact CE-OD1 3.5Å; K754-D756 IonicContact NZ-OD1 2.83Å; K754-D756 PolarHBondContact NZ-OD1 3.18Å; K754-D756 IonicContact NZ-OD2 2.65Å; K754-D756 PolarHBondContact NZ-OD2 3.38Å; K754-D756 PolarHBondContact O-N 2.58Å; K754-K757 HydrophobicContact CB-CB 4.46Å; K754-K757 HydrophobicContact CB-CD 4.41Å; K754-K757 HydrophobicContact CG-CB 3.86Å; K754-K757 WeakPolarHBondContact O-CG 3.46Å; K754-K757 PolarHBondContact O-N 2.93Å; K754-F761 WeakPolarHBondContact O-CE1 3.36Å
755	F	95.5	Very high	94.4	Very high	17 Å²	17	51.5 Å²	51.5	8%	0.075	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.4	-176.8	-70	-90.6	0	0	0	114.7	L745 E750 V753 R764 L767 L768	L745-F755 HydrophobicContact CD1-CZ 4.32Å; E750-F755 HydrophobicContact CG-CE2 4.14Å; V753-F755 HydrophobicContact CB-CD2 4.1Å; V753-F755 HydrophobicContact CB-CE2 3.55Å; V753-F755 HydrophobicContact CB-CZ 4.1Å; V753-F755 HydrophobicContact CG1-CD1 4.33Å; V753-F755 HydrophobicContact CG1-CD2 3.69Å; V753-F755 HydrophobicContact CG1-CE1 4.04Å; V753-F755 HydrophobicContact CG1-CE2 3.32Å; V753-F755 HydrophobicContact CG1-CG 4.2Å; V753-F755 HydrophobicContact CG1-CZ 3.53Å; V753-F755 WeakPolarHBondContact O-CD2 3.37Å; V753-F755 PolarHBondContact O-N 3.22Å; F755-R764 PolarHBondContact O-NE 2.88Å; F755-R764 PolarHBondContact O-NH2 3.12Å; F755-L767 HydrophobicContact CE1-CB 3.64Å; F755-L767 HydrophobicContact CZ-CB 3.95Å; F755-L767 HydrophobicContact CZ-CD1 4.34Å; F755-L768 HydrophobicContact CD1-CD2 3.47Å; F755-L768 VanDerWaalsContact CD1-CD2 3.47Å; F755-L768 HydrophobicContact CD1-CG 3.79Å; F755-L768 HydrophobicContact CE1-CD2 3.97Å; F755-L768 HydrophobicContact CE1-CG 4.11Å; F755-L768 HydrophobicContact CG-CD2 4.29Å
756	D	93.3	Very high	94.4	Very high	111 Å²	111	52.3 Å²	52.3	59%	0.594	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	14.5	-173.7	61.7	-38.2	0	0	0	113.2	K754	K754-D756 WeakPolarHBondContact CD-OD1 3.38Å; K754-D756 WeakPolarHBondContact CE-OD1 3.5Å; K754-D756 IonicContact NZ-OD1 2.83Å; K754-D756 PolarHBondContact NZ-OD1 3.18Å; K754-D756 IonicContact NZ-OD2 2.65Å; K754-D756 PolarHBondContact NZ-OD2 3.38Å; K754-D756 PolarHBondContact O-N 2.58Å
757	K	92.7	Very high	94.5	Very high	16 Å²	16	51.5 Å²	51.5	7%	0.07	26%	0.262	C	S	.	.	S	Bend	trans	-78	154	168.4	77	-178.8	-173.5	168.5	0	111.3	Q558 C561 N563 D564 K754 T759	Q558-K757 VanDerWaalsContact O-CE 3.31Å; Q558-K757 WeakPolarHBondContact O-CE 3.48Å; Q558-K757 PolarHBondContact O-NZ 2.87Å; C561-K757 PolarHBondContact O-NZ 3.47Å; N563-K757 PolarHBondContact O-NZ 2.99Å; D564-K757 HydrophobicContact CB-CD 4.22Å; K754-K757 HydrophobicContact CB-CB 4.46Å; K754-K757 HydrophobicContact CB-CD 4.41Å; K754-K757 HydrophobicContact CG-CB 3.86Å; K754-K757 WeakPolarHBondContact O-CG 3.46Å; K754-K757 PolarHBondContact O-N 2.93Å; K757-T759 PolarHBondContact O-N 3.31Å; K757-T759 VanDerWaalsContact O-N 3.15Å
758	D	89.2	Confident	94.6	Very high	173 Å²	173	53.5 Å²	53.5	93%	0.925	27%	0.272	S	S	*	.	S	Bend	trans	-64.2	-21.6	-172.7	-59.5	-39.2	0	0	0	114.2
759	T	93.2	Very high	94.9	Very high	47 Å²	47	57.5 Å²	57.5	29%	0.288	28%	0.284	S	S	.	.	S	Bend	trans	-93	126.2	179.4	-45.5	0	0	0	0	111.9	Q558 K757 F761	Q558-T759 HydrophobicContact CB-CG2 4.22Å; K757-T759 PolarHBondContact O-N 3.31Å; K757-T759 VanDerWaalsContact O-N 3.15Å; T759-F761 VanDerWaalsContact C-N 3.32Å; T759-F761 PolarHBondContact O-N 3.5Å
760	N	94.8	Very high	95.1	Very high	75 Å²	75	58.1 Å²	58.1	40%	0.401	29%	0.287	S	S	.	.			trans	-71	88.1	169.2	-160.8	37.9	0	0	0	109.5	R764 E765	N760-R764 WeakPolarHBondContact OD1-CD 3.46Å; N760-R764 PolarHBondContact OD1-NH1 3.27Å; N760-E765 PolarHBondContact ND2-OE1 3.43Å
761	F	97.2	Very high	95.2	Very high	3 Å²	3	59.5 Å²	59.5	1%	0.013	29%	0.289	C	S	.	.			trans	-70.9	154.3	-179	67	-95.2	0	0	0	112.2	Y559 A562 L578 V753 K754 T759 G763 R764 L767	Y559-F761 CarbonylContact O-C 3.49Å; Y559-F761 VanDerWaalsContact O-CA 3.23Å; Y559-F761 WeakPolarHBondContact O-CA 3.47Å; Y559-F761 WeakPolarHBondContact O-CB 3.22Å; A562-F761 HydrophobicContact CB-CD2 4.07Å; A562-F761 HydrophobicContact CB-CE2 3.82Å; A562-F761 HydrophobicContact CB-CZ 4.4Å; L578-F761 HydrophobicContact CD1-CE2 4.4Å; V753-F761 HydrophobicContact CG1-CE1 4.25Å; V753-F761 HydrophobicContact CG1-CE2 4.12Å; V753-F761 HydrophobicContact CG1-CZ 3.45Å; V753-F761 VanDerWaalsContact CG1-CZ 3.45Å; K754-F761 WeakPolarHBondContact O-CE1 3.36Å; T759-F761 VanDerWaalsContact C-N 3.32Å; T759-F761 PolarHBondContact O-N 3.5Å; F761-G763 PolarHBondContact O-N 3.17Å; F761-R764 HydrophobicContact CD1-CB 3.99Å; F761-R764 HydrophobicContact CD1-CG 4.19Å; F761-R764 HydrophobicContact CD2-CB 3.91Å; F761-R764 HydrophobicContact CE1-CB 3.78Å; F761-R764 HydrophobicContact CE1-CG 3.68Å; F761-R764 HydrophobicContact CE2-CB 3.66Å; F761-R764 HydrophobicContact CE2-CG 4.35Å; F761-R764 HydrophobicContact CG-CB 4.06Å; F761-R764 HydrophobicContact CZ-CB 3.58Å; F761-R764 HydrophobicContact CZ-CG 3.75Å; F761-R764 WeakPolarHBondContact O-CB 3.32Å; F761-R764 PolarHBondContact O-N 3.33Å; F761-L767 HydrophobicContact CE2-CD1 4.48Å
762	L	97.4	Very high	95.4	Very high	13 Å²	13	60 Å²	60	7%	0.068	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	127.3	-176.7	-169.5	53.8	0	0	0	111.6	Y559 L578 E580 W613	Y559-L762 PolarHBondContact O-N 3.32Å; L578-L762 WeakPolarHBondContact O-CD2 3.39Å; L578-L762 WeakPolarHBondContact O-CG 3.16Å; E580-L762 HydrophobicContact CG-CD1 3.64Å; W613-L762 HydrophobicContact CH2-CD2 4.35Å; W613-L762 HydrophobicContact CZ2-CD2 3.62Å
763	G	96.8	Very high	95.5	Very high	8 Å²	8	63 Å²	63	8%	0.082	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-1	-176.3	0	0	0	0	0	115.9	N579 F761 E765 A766 L767	N579-G763 VanDerWaalsContact O-CA 3.24Å; N579-G763 WeakPolarHBondContact O-CA 3.48Å; F761-G763 PolarHBondContact O-N 3.17Å; G763-E765 VanDerWaalsContact C-N 3.3Å; G763-E765 PolarHBondContact O-N 3.22Å; G763-A766 PolarHBondContact O-N 3.35Å; G763-L767 WeakPolarHBondContact O-CG 3.38Å; G763-L767 PolarHBondContact O-N 3Å; G763-L767 VanDerWaalsContact O-N 3.12Å
764	R	97.2	Very high	95.4	Very high	67 Å²	67	63.5 Å²	63.5	25%	0.253	32%	0.317	S	S	.	.	H	α-helix	trans	-54.4	-43.4	179.6	179.5	168.7	169.5	-83.7	0.1	113.3	F755 N760 F761 L767 L768	F755-R764 PolarHBondContact O-NE 2.88Å; F755-R764 PolarHBondContact O-NH2 3.12Å; N760-R764 WeakPolarHBondContact OD1-CD 3.46Å; N760-R764 PolarHBondContact OD1-NH1 3.27Å; F761-R764 HydrophobicContact CD1-CB 3.99Å; F761-R764 HydrophobicContact CD1-CG 4.19Å; F761-R764 HydrophobicContact CD2-CB 3.91Å; F761-R764 HydrophobicContact CE1-CB 3.78Å; F761-R764 HydrophobicContact CE1-CG 3.68Å; F761-R764 HydrophobicContact CE2-CB 3.66Å; F761-R764 HydrophobicContact CE2-CG 4.35Å; F761-R764 HydrophobicContact CG-CB 4.06Å; F761-R764 HydrophobicContact CZ-CB 3.58Å; F761-R764 HydrophobicContact CZ-CG 3.75Å; F761-R764 WeakPolarHBondContact O-CB 3.32Å; F761-R764 PolarHBondContact O-N 3.33Å; R764-L767 PolarHBondContact O-N 3.23Å; R764-L768 HydrophobicContact CG-CD1 4.12Å; R764-L768 WeakPolarHBondContact O-CG 3.4Å; R764-L768 PolarHBondContact O-N 3.21Å
765	E	96.7	Very high	95.3	Very high	130 Å²	130	60.7 Å²	60.7	61%	0.607	31%	0.306	S	S	*	.	H	α-helix	trans	-65.9	-46.6	-177.9	-71.1	168.5	-153.6	0	0	111.9	N760 G763 L767 L768 Q769	N760-E765 PolarHBondContact ND2-OE1 3.43Å; G763-E765 VanDerWaalsContact C-N 3.3Å; G763-E765 PolarHBondContact O-N 3.22Å; E765-L767 VanDerWaalsContact C-N 3.31Å; E765-L767 PolarHBondContact O-N 3.23Å; E765-L768 PolarHBondContact O-N 2.89Å; E765-L768 VanDerWaalsContact O-N 3.12Å; E765-Q769 PolarHBondContact O-N 2.98Å
766	A	97.1	Very high	95.3	Very high	27 Å²	27	63.2 Å²	63.2	22%	0.223	32%	0.317	C	S	.	.	H	α-helix	trans	-60.3	-38.8	175.1	0	0	0	0	0	112.5	E580 G763 Q769 Q770	E580-A766 VanDerWaalsContact O-CB 3.25Å; E580-A766 WeakPolarHBondContact O-CB 3.49Å; G763-A766 PolarHBondContact O-N 3.35Å; A766-Q769 PolarHBondContact O-N 3.23Å; A766-Q770 WeakPolarHBondContact O-CB 3.36Å; A766-Q770 PolarHBondContact O-N 3.37Å
767	L	97.6	Very high	95.3	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-70.2	-32.8	175.3	-63.9	-169	0	0	0	113.2	L578 T743 P744 L745 V753 F755 F761 G763 R764 E765 R771	L578-L767 HydrophobicContact CD1-CD1 3.57Å; L578-L767 HydrophobicContact CD1-CG 4.35Å; T743-L767 HydrophobicContact CG2-CD2 4.3Å; P744-L767 HydrophobicContact CG-CD1 4.06Å; L745-L767 HydrophobicContact CD1-CB 3.96Å; L745-L767 HydrophobicContact CD1-CD1 4.28Å; L745-L767 HydrophobicContact CD1-CD2 3.74Å; L745-L767 HydrophobicContact CD1-CG 4.2Å; V753-L767 HydrophobicContact CG1-CD1 4.01Å; V753-L767 HydrophobicContact CG2-CD1 4.26Å; F755-L767 HydrophobicContact CE1-CB 3.64Å; F755-L767 HydrophobicContact CZ-CB 3.95Å; F755-L767 HydrophobicContact CZ-CD1 4.34Å; F761-L767 HydrophobicContact CE2-CD1 4.48Å; G763-L767 WeakPolarHBondContact O-CG 3.38Å; G763-L767 PolarHBondContact O-N 3Å; G763-L767 VanDerWaalsContact O-N 3.12Å; R764-L767 PolarHBondContact O-N 3.23Å; E765-L767 VanDerWaalsContact C-N 3.31Å; E765-L767 PolarHBondContact O-N 3.23Å; L767-R771 PolarHBondContact O-N 3.49Å
768	L	96.9	Very high	95.5	Very high	47 Å²	47	62 Å²	62	25%	0.246	30%	0.304	C	S	.	.	H	α-helix	trans	-68.8	-41.4	173.5	-75.6	172.2	0	0	0	111.6	F755 R764 E765 R771 Q772	F755-L768 HydrophobicContact CD1-CD2 3.47Å; F755-L768 VanDerWaalsContact CD1-CD2 3.47Å; F755-L768 HydrophobicContact CD1-CG 3.79Å; F755-L768 HydrophobicContact CE1-CD2 3.97Å; F755-L768 HydrophobicContact CE1-CG 4.11Å; F755-L768 HydrophobicContact CG-CD2 4.29Å; R764-L768 HydrophobicContact CG-CD1 4.12Å; R764-L768 WeakPolarHBondContact O-CG 3.4Å; R764-L768 PolarHBondContact O-N 3.21Å; E765-L768 PolarHBondContact O-N 2.89Å; E765-L768 VanDerWaalsContact O-N 3.12Å; L768-R771 WeakPolarHBondContact O-CB 3.27Å; L768-R771 PolarHBondContact O-N 3.4Å; L768-Q772 PolarHBondContact O-N 3.04Å
769	Q	96.6	Very high	95.9	Very high	107 Å²	107	53.9 Å²	53.9	50%	0.5	26%	0.26	S	S	.	.	H	α-helix	trans	-61.7	-48.2	172.5	-178.8	175.4	-3.6	0	0	110.9	E765 A766 R771 Q772 E773	E765-Q769 PolarHBondContact O-N 2.98Å; A766-Q769 PolarHBondContact O-N 3.23Å; Q769-R771 PolarHBondContact O-N 2.89Å; Q769-Q772 WeakPolarHBondContact O-CA 3.37Å; Q769-Q772 WeakPolarHBondContact O-CB 3.48Å; Q769-Q772 PolarHBondContact O-N 3.49Å; Q769-E773 HydrophobicContact CG-CG 4.35Å; Q769-E773 VanDerWaalsContact CG-OE1 3.29Å; Q769-E773 WeakPolarHBondContact CG-OE1 3.43Å; Q769-E773 PolarHBondContact NE2-OE1 3.28Å; Q769-E773 PolarHBondContact O-N 3.14Å
770	Q	96.1	Very high	96.1	Very high	27 Å²	27	51.6 Å²	51.6	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-29	176.7	-171.5	176.7	61.2	0	0	113.1	T743 A766 Q772 G774 V775	T743-Q770 PolarHBondContact OG1-OE1 2.8Å; A766-Q770 WeakPolarHBondContact O-CB 3.36Å; A766-Q770 PolarHBondContact O-N 3.37Å; Q770-Q772 VanDerWaalsContact C-N 3.34Å; Q770-G774 CarbonylContact O-C 3.58Å; Q770-G774 VanDerWaalsContact O-CA 3.29Å; Q770-G774 WeakPolarHBondContact O-CA 3.1Å; Q770-G774 PolarHBondContact O-N 2.98Å; Q770-V775 HydrophobicContact CG-CG1 3.98Å
771	R	95	Very high	96.1	Very high	104 Å²	104	48 Å²	48	39%	0.392	23%	0.227	S	C	.	.	H	α-helix	trans	-66.9	-34.6	171.6	-176.3	-174.4	-81	144.9	-8.4	112.2	L745 E750 L767 L768 Q769	L745-R771 HydrophobicContact CD2-CB 4.01Å; E750-R771 IonicContact OE1-CZ 2.75Å; E750-R771 IonicContact OE1-NE 3.18Å; E750-R771 PolarHBondContact OE1-NE 3.29Å; E750-R771 IonicContact OE1-NH2 2.67Å; E750-R771 PolarHBondContact OE1-NH2 3.46Å; L767-R771 PolarHBondContact O-N 3.49Å; L768-R771 WeakPolarHBondContact O-CB 3.27Å; L768-R771 PolarHBondContact O-N 3.4Å; Q769-R771 PolarHBondContact O-N 2.89Å
772	Q	94.9	Very high	96.1	Very high	168 Å²	168	47.9 Å²	47.9	79%	0.785	23%	0.226	S	C	*	.	H	α-helix	trans	-77.3	-43.7	179.2	-64	174.7	16.8	0	0	111.9	L768 Q769 Q770	L768-Q772 PolarHBondContact O-N 3.04Å; Q769-Q772 WeakPolarHBondContact O-CA 3.37Å; Q769-Q772 WeakPolarHBondContact O-CB 3.48Å; Q769-Q772 PolarHBondContact O-N 3.49Å; Q770-Q772 VanDerWaalsContact C-N 3.34Å
773	E	94.1	Very high	96.1	Very high	98 Å²	98	47.8 Å²	47.8	46%	0.458	23%	0.226	S	C	.	.	H	α-helix	trans	-75.7	-26.8	179.7	-65.5	174.7	179.1	0	0	112.9	Q769 F776 P841	Q769-E773 HydrophobicContact CG-CG 4.35Å; Q769-E773 VanDerWaalsContact CG-OE1 3.29Å; Q769-E773 WeakPolarHBondContact CG-OE1 3.43Å; Q769-E773 PolarHBondContact NE2-OE1 3.28Å; Q769-E773 PolarHBondContact O-N 3.14Å; E773-F776 HydrophobicContact CB-CZ 4.36Å; E773-P841 WeakPolarHBondContact O-CG 3.32Å
774	G	94.1	Very high	96.1	Very high	22 Å²	22	47.5 Å²	47.5	23%	0.227	22%	0.223	C	C	.	.			trans	87.4	175.5	-169.2	0	0	0	0	0	112.6	Q770	Q770-G774 CarbonylContact O-C 3.58Å; Q770-G774 VanDerWaalsContact O-CA 3.29Å; Q770-G774 WeakPolarHBondContact O-CA 3.1Å; Q770-G774 PolarHBondContact O-N 2.98Å
775	V	95.2	Very high	96	Very high	15 Å²	15	47.7 Å²	47.7	9%	0.091	23%	0.226	C	C	.	.			trans	-98.5	137.9	177.5	-74.1	0	0	0	0	110.9	L745 E746 Q770 P841 I842	L745-V775 HydrophobicContact CB-CG1 3.74Å; E746-V775 HydrophobicContact CG-CB 4.39Å; E746-V775 HydrophobicContact CG-CG1 4.01Å; Q770-V775 HydrophobicContact CG-CG1 3.98Å; V775-P841 CarbonylContact O-C 3.56Å; V775-P841 WeakPolarHBondContact O-CA 3.18Å; V775-I842 HydrophobicContact CG2-CG2 3.98Å; V775-I842 WeakPolarHBondContact O-CG2 3.49Å; V775-I842 PolarHBondContact O-N 2.83Å
776	F	94.5	Very high	95.7	Very high	69 Å²	69	47.5 Å²	47.5	30%	0.303	23%	0.23	S	C	.	.	S	Bend	trans	-95.7	-7.7	-179.4	-54.6	-68.9	0	0	0	113.6	E773 S830 P839 P841	E773-F776 HydrophobicContact CB-CZ 4.36Å; F776-S830 WeakPolarHBondContact O-CB 3.48Å; F776-S830 PolarHBondContact O-OG 3.26Å; F776-P839 HydrophobicContact CB-CB 4.25Å; F776-P839 HydrophobicContact CD1-CB 3.37Å; F776-P839 HydrophobicContact CD2-CB 4.33Å; F776-P839 HydrophobicContact CE1-CB 3.72Å; F776-P839 HydrophobicContact CG-CB 3.72Å; F776-P839 HydrophobicContact CZ-CB 4.33Å; F776-P841 HydrophobicContact CD1-CG 4.39Å; F776-P841 HydrophobicContact CE1-CG 3.86Å
777	R	95.1	Very high	95.7	Very high	58 Å²	58	46.7 Å²	46.7	22%	0.219	22%	0.221	C	C	.	.	S	Bend	trans	-143.1	153.4	170.1	63.3	-178.5	179.1	148	9.7	110	F741 T742 E746 F828 V829 S830	F741-R777 PolarHBondContact O-NH2 3.2Å; T742-R777 VanDerWaalsContact CA-NH2 3.29Å; T742-R777 PolarHBondContact OG1-NH2 3.17Å; E746-R777 HydrophobicContact CG-CG 4.1Å; E746-R777 WeakPolarHBondContact OE1-CG 3.5Å; E746-R777 IonicContact OE1-CZ 2.71Å; E746-R777 IonicContact OE1-NE 3.69Å; E746-R777 PolarHBondContact OE1-NE 3.29Å; E746-R777 IonicContact OE1-NH2 3.25Å; E746-R777 IonicContact OE2-CZ 2.58Å; E746-R777 IonicContact OE2-NE 3.71Å; E746-R777 PolarHBondContact OE2-NE 3.24Å; E746-R777 IonicContact OE2-NH2 2.7Å; E746-R777 PolarHBondContact OE2-NH2 3.09Å; R777-F828 HydrophobicContact CB-CD1 4.5Å; R777-F828 HydrophobicContact CG-CD1 4.14Å; R777-V829 CarbonylContact C-O 3.59Å; R777-V829 VanDerWaalsContact CA-O 3.28Å; R777-V829 WeakPolarHBondContact CA-O 3.26Å; R777-S830 VanDerWaalsContact CB-OG 3.24Å; R777-S830 WeakPolarHBondContact CB-OG 3.48Å
778	R	96.2	Very high	95.6	Very high	45 Å²	45	50.1 Å²	50.1	17%	0.17	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.8	178.9	-164.3	70.6	177.8	-161.4	-12.2	111.2	L745 E746 F828 V829 I842 I847 L867	L745-R778 PolarHBondContact O-NH1 2.87Å; E746-R778 WeakPolarHBondContact O-CA 3.15Å; E746-R778 WeakPolarHBondContact O-CD 3.46Å; R778-F828 WeakPolarHBondContact O-CA 3.13Å; R778-V829 PolarHBondContact N-O 3.4Å; R778-V829 PolarHBondContact O-N 3.04Å; R778-I842 HydrophobicContact CB-CD1 4.04Å; R778-I842 HydrophobicContact CB-CG2 3.77Å; R778-I847 HydrophobicContact CB-CD1 3.78Å; R778-I847 HydrophobicContact CG-CD1 3.75Å; R778-L867 HydrophobicContact CG-CD2 3.64Å
779	F	97.2	Very high	95.3	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	129.1	167.8	-166.2	-120	0	0	0	109.6	F730 A732 D737 E746 L826 G827 F828	F730-F779 HydrophobicContact CD2-CD1 4.3Å; F730-F779 AromaticContact CD2-CE1 3.93Å; F730-F779 HydrophobicContact CD2-CE1 3.93Å; F730-F779 HydrophobicContact CE1-CD1 4.16Å; F730-F779 AromaticContact CE2-CD1 3.43Å; F730-F779 HydrophobicContact CE2-CD1 3.43Å; F730-F779 VanDerWaalsContact CE2-CD1 3.43Å; F730-F779 AromaticContact CE2-CE1 3.42Å; F730-F779 HydrophobicContact CE2-CE1 3.42Å; F730-F779 VanDerWaalsContact CE2-CE1 3.42Å; F730-F779 HydrophobicContact CE2-CG 4.34Å; F730-F779 HydrophobicContact CE2-CZ 4.33Å; F730-F779 AromaticContact CZ-CD1 3.35Å; F730-F779 HydrophobicContact CZ-CD1 3.35Å; F730-F779 AromaticContact CZ-CE1 3.84Å; F730-F779 HydrophobicContact CZ-CE1 3.84Å; F730-F779 HydrophobicContact CZ-CG 4.19Å; A732-F779 HydrophobicContact CB-CE1 4Å; A732-F779 HydrophobicContact CB-CZ 4.01Å; D737-F779 HydrophobicContact CB-CE2 3.94Å; D737-F779 HydrophobicContact CB-CZ 3.96Å; E746-F779 PolarHBondContact O-N 3.49Å; F779-L826 HydrophobicContact CE1-CB 4.47Å; F779-L826 HydrophobicContact CE1-CD1 4.16Å; F779-L826 HydrophobicContact CE2-CB 3.98Å; F779-L826 HydrophobicContact CZ-CB 3.64Å; F779-L826 HydrophobicContact CZ-CD1 3.76Å; F779-L826 HydrophobicContact CZ-CG 4.3Å; F779-G827 CarbonylContact C-O 3.52Å; F779-G827 WeakPolarHBondContact CA-O 3.48Å; F779-G827 WeakPolarHBondContact CD2-O 3.29Å; F779-F828 HydrophobicContact CB-CD1 4.2Å; F779-F828 HydrophobicContact CB-CE1 3.74Å; F779-F828 HydrophobicContact CB-CZ 4Å; F779-F828 HydrophobicContact CD2-CD2 4.04Å; F779-F828 HydrophobicContact CD2-CE1 4.17Å; F779-F828 AromaticContact CD2-CE2 3.61Å; F779-F828 HydrophobicContact CD2-CE2 3.61Å; F779-F828 HydrophobicContact CD2-CG 4.48Å; F779-F828 AromaticContact CD2-CZ 3.67Å; F779-F828 HydrophobicContact CD2-CZ 3.67Å; F779-F828 HydrophobicContact CE2-CE2 4.2Å; F779-F828 HydrophobicContact CG-CE1 4.4Å; F779-F828 HydrophobicContact CG-CZ 4.19Å
780	V	96.8	Very high	95.2	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.4	-177	-65.3	0	0	0	0	111.6	F730 L782 L826 G827 V829 I847 K866 L867	F730-V780 VanDerWaalsContact CE2-C 3.47Å; V780-L782 HydrophobicContact CG2-CD1 4.42Å; V780-L782 HydrophobicContact CG2-CG 4.36Å; V780-L826 WeakPolarHBondContact O-CA 3.41Å; V780-G827 PolarHBondContact N-O 3.32Å; V780-G827 PolarHBondContact O-N 2.95Å; V780-G827 VanDerWaalsContact O-N 3.14Å; V780-V829 HydrophobicContact CB-CG2 4.43Å; V780-V829 HydrophobicContact CG1-CG2 3.72Å; V780-V829 HydrophobicContact CG2-CB 4.44Å; V780-V829 HydrophobicContact CG2-CG1 3.86Å; V780-V829 HydrophobicContact CG2-CG2 3.8Å; V780-I847 HydrophobicContact CG1-CD1 4.03Å; V780-I847 HydrophobicContact CG1-CG1 4.45Å; V780-I847 HydrophobicContact CG1-CG2 3.81Å; V780-K866 WeakPolarHBondContact CA-O 3.37Å; V780-L867 HydrophobicContact CG1-CD2 4.48Å
781	M	96.6	Very high	95.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.6	166.9	-177.9	-171	-171.8	0	0	108.2	F730 V783 L820 V824 L826 A865 K866 F870	F730-M781 HydrophobicContact CD2-CB 3.81Å; F730-M781 HydrophobicContact CE2-CB 3.87Å; M781-V783 HydrophobicContact CE-CG2 4.07Å; M781-L820 HydrophobicContact CE-CD1 4.14Å; M781-V824 HydrophobicContact CE-CB 4.42Å; M781-V824 HydrophobicContact CE-CG1 3.5Å; M781-V824 VanDerWaalsContact CE-CG1 3.5Å; M781-V824 HydrophobicContact CE-CG2 3.99Å; M781-V824 HydrophobicContact CG-CG1 3.74Å; M781-V824 HydrophobicContact SD-CG1 4.46Å; M781-L826 HydrophobicContact CB-CD2 3.96Å; M781-L826 HydrophobicContact CG-CD2 3.93Å; M781-A865 CarbonylContact O-C 3.56Å; M781-A865 WeakPolarHBondContact O-CA 3.5Å; M781-K866 HydrophobicContact CB-CB 4.29Å; M781-K866 PolarHBondContact N-O 2.92Å; M781-K866 PolarHBondContact O-N 2.81Å; M781-F870 HydrophobicContact CE-CD2 3.9Å; M781-F870 HydrophobicContact CE-CE2 4.36Å; M781-F870 HydrophobicContact SD-CD2 3.98Å; M781-F870 HydrophobicContact SD-CE2 4.31Å
782	L	96.8	Very high	95.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	114.7	176.8	-74.3	158.4	0	0	0	107.7	V780 I801 C825 Y852 V854 A863 K864 A865	V780-L782 HydrophobicContact CG2-CD1 4.42Å; V780-L782 HydrophobicContact CG2-CG 4.36Å; L782-I801 HydrophobicContact CD1-CB 4.41Å; L782-I801 HydrophobicContact CD1-CD1 3.48Å; L782-I801 VanDerWaalsContact CD1-CD1 3.48Å; L782-I801 HydrophobicContact CD1-CG1 3.7Å; L782-I801 HydrophobicContact CD1-CG2 3.81Å; L782-C825 HydrophobicContact CB-CB 4.23Å; L782-C825 PolarHBondContact N-O 2.87Å; L782-C825 PolarHBondContact O-N 2.78Å; L782-Y852 HydrophobicContact CD2-CD1 4.32Å; L782-Y852 HydrophobicContact CD2-CG 4.03Å; L782-V854 HydrophobicContact CD1-CG2 4.15Å; L782-A863 HydrophobicContact CB-CB 4.32Å; L782-A863 HydrophobicContact CD2-CB 3.92Å; L782-K864 WeakPolarHBondContact CA-O 3.28Å; L782-A865 HydrophobicContact CD2-CB 3.88Å
783	V	96.6	Very high	95.2	Very high	11 Å²	11	42.9 Å²	42.9	7%	0.067	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.3	171.6	-177.5	0	0	0	0	107.8	M781 R822 V824 A863 K864 F870	M781-V783 HydrophobicContact CE-CG2 4.07Å; V783-R822 HydrophobicContact CG1-CB 3.61Å; V783-R822 HydrophobicContact CG1-CG 4Å; V783-V824 HydrophobicContact CG2-CG2 4.35Å; V783-A863 CarbonylContact O-C 3.56Å; V783-A863 VanDerWaalsContact O-CA 3.26Å; V783-A863 WeakPolarHBondContact O-CA 3.38Å; V783-K864 PolarHBondContact N-O 2.98Å; V783-K864 VanDerWaalsContact N-O 3.09Å; V783-K864 PolarHBondContact O-N 2.85Å; V783-F870 HydrophobicContact CG2-CD2 4.29Å; V783-F870 HydrophobicContact CG2-CE2 3.47Å; V783-F870 VanDerWaalsContact CG2-CE2 3.47Å; V783-F870 HydrophobicContact CG2-CZ 4.03Å
784	L	96.8	Very high	95.3	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	133.7	178	-57.3	-167.5	0	0	0	110.2	H787 P795 H823 V854 I856 A863	L784-H787 HydrophobicContact CB-CB 4.03Å; L784-H787 HydrophobicContact CD1-CB 4.17Å; L784-P795 HydrophobicContact CD1-CG 4.06Å; L784-H823 HydrophobicContact CB-CB 4.21Å; L784-H823 HydrophobicContact CD1-CB 3.81Å; L784-H823 HydrophobicContact CG-CB 3.96Å; L784-H823 PolarHBondContact N-O 3.12Å; L784-V854 HydrophobicContact CD2-CB 3.75Å; L784-V854 HydrophobicContact CD2-CG2 3.63Å; L784-I856 HydrophobicContact CD1-CD1 4.02Å; L784-A863 HydrophobicContact CD2-CB 3.91Å
785	E	94.3	Very high	95.3	Very high	71 Å²	71	37.3 Å²	37.3	33%	0.332	18%	0.183	S	C	.	.	S	Bend	trans	-102.8	145.5	169.3	-65.4	173	158.5	0	0	106.5	H787 P862 K864	E785-H787 VanDerWaalsContact C-N 3.32Å; E785-H787 PolarHBondContact O-N 2.84Å; E785-P862 HydrophobicContact CB-CB 4.27Å; E785-P862 PolarHBondContact N-O 3.3Å; E785-K864 IonicContact OE1-NZ 3.65Å; E785-K864 PolarHBondContact OE1-NZ 2.86Å
786	D	92.3	Very high	95.1	Very high	126 Å²	126	37 Å²	37	67%	0.674	18%	0.18	S	C	*	.	S	Bend	trans	53	36	179.2	-52.3	-23	0	0	0	117
787	H	95.9	Very high	94.8	Very high	11 Å²	11	40 Å²	40	5%	0.051	19%	0.19	C	C	.	.			trans	-98.9	117.8	167.8	-179.4	-98	0	0	0	110.3	L784 E785 D792 L793 H823 Y861	L784-H787 HydrophobicContact CB-CB 4.03Å; L784-H787 HydrophobicContact CD1-CB 4.17Å; E785-H787 VanDerWaalsContact C-N 3.32Å; E785-H787 PolarHBondContact O-N 2.84Å; H787-D792 WeakPolarHBondContact NE2-CB 3.44Å; H787-L793 PolarHBondContact NE2-O 2.85Å; H787-H823 AromaticContact CE1-CD2 3.34Å; H787-H823 PolarHBondContact CE1-CD2 2.9Å; H787-H823 AromaticContact CE1-NE2 3.76Å; H787-H823 AromaticContact ND1-CD2 3.19Å; H787-H823 PolarHBondContact ND1-CD2 3.48Å; H787-H823 AromaticContact ND1-CG 3.93Å; H787-Y861 HydrophobicContact CB-CD1 4.05Å; H787-Y861 AromaticContact CD2-CD1 3.79Å; H787-Y861 AromaticContact CD2-CE1 3.65Å; H787-Y861 AromaticContact CD2-CZ 3.97Å
788	D	94.9	Very high	94.7	Very high	72 Å²	72	38.2 Å²	38.2	39%	0.385	19%	0.189	S	C	.	.			trans	-84.3	117.4	175.7	-172.8	-38	0	0	0	109.8	E790 L791 D792	D788-E790 VanDerWaalsContact C-N 3.27Å; D788-E790 PolarHBondContact O-N 2.89Å; D788-E790 PolarHBondContact OD1-N 2.89Å; D788-L791 HydrophobicContact CB-CB 4.27Å; D788-L791 PolarHBondContact O-N 2.98Å; D788-L791 PolarHBondContact OD1-N 3.35Å; D788-D792 PolarHBondContact N-OD2 2.85Å; D788-D792 VanDerWaalsContact O-CB 3.26Å; D788-D792 WeakPolarHBondContact O-CB 3.22Å; D788-D792 PolarHBondContact O-N 2.88Å
789	T	92.4	Very high	94.6	Very high	17 Å²	17	36.4 Å²	36.4	10%	0.104	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.6	-174.2	-60.3	0	0	0	0	113.3	K515 F519 Y816	K515-T789 WeakPolarHBondContact CB-O 3.23Å; K515-T789 HydrophobicContact CD-CG2 4.2Å; K515-T789 HydrophobicContact CG-CG2 4.28Å; F519-T789 HydrophobicContact CE2-CG2 4.11Å; F519-T789 HydrophobicContact CZ-CG2 4.18Å; T789-Y816 HydrophobicContact CG2-CD2 4.48Å; T789-Y816 HydrophobicContact CG2-CE2 4.22Å; T789-Y816 WeakPolarHBondContact OG1-CE2 3.45Å
790	E	93.5	Very high	94.6	Very high	114 Å²	114	36.4 Å²	36.4	53%	0.533	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-33.2	179	-52.3	-51.6	128.6	0	0	112.9	K515 D788	K515-E790 WeakPolarHBondContact CD-OE1 3.34Å; K515-E790 VanDerWaalsContact CD-OE2 3.23Å; K515-E790 WeakPolarHBondContact CD-OE2 3.33Å; K515-E790 WeakPolarHBondContact CE-OE1 3.44Å; K515-E790 IonicContact NZ-OE1 2.78Å; K515-E790 PolarHBondContact NZ-OE1 3.5Å; K515-E790 IonicContact NZ-OE2 3.26Å; K515-E790 PolarHBondContact NZ-OE2 3.36Å; D788-E790 VanDerWaalsContact C-N 3.27Å; D788-E790 PolarHBondContact O-N 2.89Å; D788-E790 PolarHBondContact OD1-N 2.89Å
791	L	94.4	Very high	94.6	Very high	124 Å²	124	36.4 Å²	36.4	65%	0.649	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-34	-172.2	-60.1	-179.6	0	0	0	113.8	Y514 D788	Y514-L791 WeakPolarHBondContact CE1-O 3.35Å; D788-L791 HydrophobicContact CB-CB 4.27Å; D788-L791 PolarHBondContact O-N 2.98Å; D788-L791 PolarHBondContact OD1-N 3.35Å
792	D	96.4	Very high	94.6	Very high	28 Å²	28	37.9 Å²	37.9	15%	0.15	19%	0.188	C	C	.	.	S	Bend	trans	-89.6	153.1	-171.1	-68.6	-44.1	0	0	0	113.2	H787 D788 W794 Y861	H787-D792 WeakPolarHBondContact NE2-CB 3.44Å; D788-D792 PolarHBondContact N-OD2 2.85Å; D788-D792 VanDerWaalsContact O-CB 3.26Å; D788-D792 WeakPolarHBondContact O-CB 3.22Å; D788-D792 PolarHBondContact O-N 2.88Å; D792-W794 PolarHBondContact O-N 3.24Å; D792-Y861 HydrophobicContact CB-CE1 3.96Å; D792-Y861 WeakPolarHBondContact CB-OH 3.48Å; D792-Y861 VanDerWaalsContact CG-CE1 3.48Å; D792-Y861 VanDerWaalsContact CG-OH 3.27Å; D792-Y861 PolarHBondContact OD1-OH 3.17Å; D792-Y861 VanDerWaalsContact OD1-OH 3.09Å; D792-Y861 WeakPolarHBondContact OD2-CE1 3.4Å
793	L	95.8	Very high	94.6	Very high	18 Å²	18	40.4 Å²	40.4	9%	0.094	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-63.1	134.7	174.8	-68.8	171.7	0	0	0	110.3	I150 F513 Y514 H787 I856 A857	I150-L793 HydrophobicContact CD1-CD2 3.98Å; I150-L793 HydrophobicContact CG1-CD1 4.39Å; I150-L793 HydrophobicContact CG1-CD2 4.38Å; I150-L793 HydrophobicContact CG2-CD1 4.01Å; I150-L793 HydrophobicContact CG2-CD2 3.93Å; F513-L793 HydrophobicContact CB-CD2 3.77Å; Y514-L793 HydrophobicContact CD1-CD2 3.94Å; Y514-L793 HydrophobicContact CD1-CG 4.5Å; Y514-L793 HydrophobicContact CD2-CD2 4.25Å; Y514-L793 HydrophobicContact CE1-CD2 3.57Å; Y514-L793 HydrophobicContact CE1-CG 4.05Å; Y514-L793 HydrophobicContact CE2-CD2 3.88Å; Y514-L793 HydrophobicContact CG-CD2 4.26Å; H787-L793 PolarHBondContact NE2-O 2.85Å; L793-I856 HydrophobicContact CB-CG2 3.81Å; L793-I856 WeakPolarHBondContact O-CD1 3.36Å; L793-A857 HydrophobicContact CD1-CB 3.59Å
794	W	94.8	Very high	94.5	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.011	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-72	136.5	177.5	-98.2	34.9	0	0	0	111.5	R154 F513 P516 W518 F519 D792 W796 H823	R154-W794 PolarHBondContact NH1-O 3.49Å; R154-W794 PolarHBondContact NH2-O 3.22Å; F513-W794 PolarHBondContact O-N 2.96Å; P516-W794 VanDerWaalsContact CD-CH2 3.46Å; P516-W794 VanDerWaalsContact CD-CZ3 3.49Å; P516-W794 HydrophobicContact CG-CD2 4.34Å; P516-W794 HydrophobicContact CG-CE3 3.8Å; P516-W794 HydrophobicContact CG-CH2 4.03Å; P516-W794 HydrophobicContact CG-CZ3 3.62Å; W518-W794 HydrophobicContact CH2-CH2 4.02Å; W518-W794 AromaticContact CH2-CZ3 3.71Å; W518-W794 HydrophobicContact CH2-CZ3 3.71Å; W518-W794 HydrophobicContact CZ2-CZ3 4.27Å; W518-W794 HydrophobicContact CZ3-CH2 4.33Å; W518-W794 HydrophobicContact CZ3-CZ3 4.46Å; F519-W794 AromaticContact CD2-CH2 3.85Å; F519-W794 HydrophobicContact CD2-CH2 3.85Å; F519-W794 AromaticContact CD2-CZ2 3.54Å; F519-W794 HydrophobicContact CD2-CZ2 3.54Å; F519-W794 HydrophobicContact CE2-CH2 4.38Å; F519-W794 AromaticContact CE2-CZ2 3.83Å; F519-W794 HydrophobicContact CE2-CZ2 3.83Å; D792-W794 PolarHBondContact O-N 3.24Å; W794-W796 HydrophobicContact CB-CZ2 4.05Å; W794-W796 HydrophobicContact CD2-CZ2 4.38Å; W794-W796 HydrophobicContact CE3-CE3 4.49Å; W794-W796 AromaticContact CE3-CH2 3.66Å; W794-W796 HydrophobicContact CE3-CH2 3.66Å; W794-W796 AromaticContact CE3-CZ2 3.7Å; W794-W796 HydrophobicContact CE3-CZ2 3.7Å; W794-W796 HydrophobicContact CE3-CZ3 4.05Å; W794-W796 HydrophobicContact CZ3-CH2 4.1Å; W794-W796 HydrophobicContact CZ3-CZ3 4.31Å; W794-W796 PolarHBondContact O-NE1 3.14Å; W794-H823 AromaticContact CD1-CE1 3.63Å; W794-H823 AromaticContact CD1-NE2 2.75Å; W794-H823 AromaticContact CD2-CE1 2.7Å; W794-H823 AromaticContact CD2-NE2 3.33Å; W794-H823 VanDerWaalsContact CD2-NE2 3.33Å; W794-H823 AromaticContact CE2-CE1 2.9Å; W794-H823 AromaticContact CE2-NE2 2.62Å; W794-H823 AromaticContact CE3-CE1 3.01Å; W794-H823 AromaticContact CG-CE1 3.2Å; W794-H823 AromaticContact CG-NE2 3.37Å; W794-H823 AromaticContact CH2-CE1 3.6Å; W794-H823 AromaticContact CZ2-CE1 3.34Å; W794-H823 WeakPolarHBondContact CZ2-CE1 3.45Å; W794-H823 AromaticContact CZ2-NE2 3.28Å; W794-H823 VanDerWaalsContact CZ2-NE2 3.28Å; W794-H823 WeakPolarHBondContact CZ2-NE2 3.33Å; W794-H823 AromaticContact CZ3-CE1 3.46Å; W794-H823 VanDerWaalsContact CZ3-CE1 3.46Å; W794-H823 WeakPolarHBondContact CZ3-CE1 3.44Å; W794-H823 AromaticContact NE1-CE1 3.48Å; W794-H823 PolarHBondContact NE1-CE1 3.47Å; W794-H823 AromaticContact NE1-NE2 2.21Å; W794-H823 PolarHBondContact NE1-NE2 3.23Å
795	P	94.8	Very high	94.3	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-72.6	144.2	163.6	32.3	-33	0	0	0	109.2	L784 E799 S814 H823 I856	L784-P795 HydrophobicContact CD1-CG 4.06Å; P795-E799 WeakPolarHBondContact CA-OE1 3.39Å; P795-E799 HydrophobicContact CB-CG 4.47Å; P795-S814 PolarHBondContact O-OG 2.75Å; P795-H823 HydrophobicContact CG-CB 4.17Å; P795-H823 WeakPolarHBondContact CG-ND1 3.49Å; P795-I856 HydrophobicContact CB-CD1 3.84Å; P795-I856 HydrophobicContact CB-CG1 4.29Å; P795-I856 HydrophobicContact CG-CD1 4.09Å
796	W	90.4	Very high	94.2	Very high	9 Å²	9	47.6 Å²	47.6	3%	0.034	25%	0.248	C	C	.	.			trans	-128.3	-56	-178.7	-63.5	92.2	0	0	0	112.5	P459 R460 P516 W518 W794 E799 S814	P459-W796 HydrophobicContact CB-CB 4.35Å; P459-W796 HydrophobicContact CB-CD2 3.34Å; P459-W796 HydrophobicContact CB-CE3 3.63Å; P459-W796 HydrophobicContact CB-CG 3.68Å; P459-W796 HydrophobicContact CB-CH2 4.18Å; P459-W796 HydrophobicContact CB-CZ2 3.97Å; P459-W796 HydrophobicContact CB-CZ3 4.04Å; P459-W796 HydrophobicContact CG-CB 4.5Å; P459-W796 HydrophobicContact CG-CD2 3.77Å; P459-W796 HydrophobicContact CG-CG 3.72Å; P459-W796 HydrophobicContact CG-CZ2 4.26Å; R460-W796 HydrophobicContact CG-CE3 4.23Å; R460-W796 HydrophobicContact CG-CZ3 3.8Å; P516-W796 HydrophobicContact CG-CH2 3.61Å; P516-W796 HydrophobicContact CG-CZ2 4.08Å; W518-W796 HydrophobicContact CZ2-CH2 4.31Å; W518-W796 HydrophobicContact CZ2-CZ3 4.37Å; W794-W796 HydrophobicContact CB-CZ2 4.05Å; W794-W796 HydrophobicContact CD2-CZ2 4.38Å; W794-W796 HydrophobicContact CE3-CE3 4.49Å; W794-W796 AromaticContact CE3-CH2 3.66Å; W794-W796 HydrophobicContact CE3-CH2 3.66Å; W794-W796 AromaticContact CE3-CZ2 3.7Å; W794-W796 HydrophobicContact CE3-CZ2 3.7Å; W794-W796 HydrophobicContact CE3-CZ3 4.05Å; W794-W796 HydrophobicContact CZ3-CH2 4.1Å; W794-W796 HydrophobicContact CZ3-CZ3 4.31Å; W794-W796 PolarHBondContact O-NE1 3.14Å; W796-E799 PolarHBondContact N-OE1 3.04Å; W796-E799 PolarHBondContact N-OE2 3.21Å; W796-S814 WeakPolarHBondContact CA-OG 3.02Å; W796-S814 PolarHBondContact N-OG 2.88Å; W796-S814 PolarHBondContact O-N 3.05Å; W796-S814 VanDerWaalsContact O-N 3.15Å; W796-S814 PolarHBondContact O-OG 3.33Å
797	W	89.3	Confident	94.3	Very high	132 Å²	132	45.4 Å²	45.4	50%	0.5	24%	0.236	S	C	.	.	S	Bend	trans	-177.2	156.4	171.5	62.6	89.7	0	0	0	110	P459 E799 T812	P459-W797 HydrophobicContact CB-CH2 4.18Å; P459-W797 HydrophobicContact CB-CZ3 4.2Å; W797-E799 VanDerWaalsContact CA-OE2 3.27Å; W797-E799 WeakPolarHBondContact CA-OE2 3.38Å; W797-E799 PolarHBondContact N-OE1 2.9Å; W797-E799 PolarHBondContact N-OE2 2.8Å; W797-E799 PolarHBondContact O-N 3.43Å; W797-T812 WeakPolarHBondContact CB-O 3.37Å
798	G	91.8	Very high	94.3	Very high	19 Å²	19	45.5 Å²	45.5	20%	0.196	24%	0.239	C	C	.	.			trans	73.9	10.4	176.2	0	0	0	0	0	114.7	R158 T811	R158-G798 VanDerWaalsContact CG-O 3.28Å; R158-G798 WeakPolarHBondContact CG-O 3.42Å; G798-T811 VanDerWaalsContact CA-O 3.26Å; G798-T811 WeakPolarHBondContact CA-O 3.07Å; G798-T811 PolarHBondContact N-O 2.86Å; G798-T811 PolarHBondContact N-OG1 2.88Å
799	E	95.3	Very high	94.3	Very high	8 Å²	8	43 Å²	43	4%	0.037	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-64.8	134.1	170.4	-69.5	80.3	-164.7	0	0	110.5	R154 P795 W796 W797 T810 T811 V854 N855 I856	R154-E799 IonicContact NH1-OE1 2.71Å; R154-E799 PolarHBondContact NH1-OE1 3.34Å; P795-E799 WeakPolarHBondContact CA-OE1 3.39Å; P795-E799 HydrophobicContact CB-CG 4.47Å; W796-E799 PolarHBondContact N-OE1 3.04Å; W796-E799 PolarHBondContact N-OE2 3.21Å; W797-E799 VanDerWaalsContact CA-OE2 3.27Å; W797-E799 WeakPolarHBondContact CA-OE2 3.38Å; W797-E799 PolarHBondContact N-OE1 2.9Å; W797-E799 PolarHBondContact N-OE2 2.8Å; W797-E799 PolarHBondContact O-N 3.43Å; E799-T810 WeakPolarHBondContact O-CA 3.4Å; E799-T811 HydrophobicContact CB-CG2 4.07Å; E799-T811 PolarHBondContact N-OG1 3.37Å; E799-T811 PolarHBondContact O-N 3.23Å; E799-T811 PolarHBondContact OE2-OG1 2.81Å; E799-V854 HydrophobicContact CB-CG1 3.68Å; E799-V854 HydrophobicContact CG-CG1 4.38Å; E799-N855 WeakPolarHBondContact CB-O 3.26Å; E799-I856 HydrophobicContact CG-CG1 4.35Å
800	P	96.4	Very high	94.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	138.4	174.7	-20.8	32.1	0	0	0	112.2	T157 V161 Y802 L807 N855	T157-P800 WeakPolarHBondContact O-CG 3.37Å; V161-P800 HydrophobicContact CG2-CB 3.6Å; V161-P800 HydrophobicContact CG2-CG 3.53Å; P800-Y802 HydrophobicContact CB-CD2 4.45Å; P800-Y802 HydrophobicContact CB-CE2 3.82Å; P800-L807 HydrophobicContact CB-CD1 3.94Å; P800-N855 HydrophobicContact CB-CB 4.29Å; P800-N855 WeakPolarHBondContact CD-O 3.18Å; P800-N855 HydrophobicContact CG-CB 4.42Å; P800-N855 PolarHBondContact O-N 3.21Å
801	I	97.6	Very high	94.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.5	173.9	-56.8	164.2	0	0	0	107.9	L782 A808 G809 T810 T811 V829 Y852	L782-I801 HydrophobicContact CD1-CB 4.41Å; L782-I801 HydrophobicContact CD1-CD1 3.48Å; L782-I801 VanDerWaalsContact CD1-CD1 3.48Å; L782-I801 HydrophobicContact CD1-CG1 3.7Å; L782-I801 HydrophobicContact CD1-CG2 3.81Å; I801-A808 PolarHBondContact O-N 3.36Å; I801-G809 PolarHBondContact N-O 2.55Å; I801-G809 PolarHBondContact O-N 2.98Å; I801-G809 VanDerWaalsContact O-N 3.08Å; I801-T810 WeakPolarHBondContact CD1-O 3.21Å; I801-T811 HydrophobicContact CD1-CG2 4.27Å; I801-T811 HydrophobicContact CG1-CG2 4.02Å; I801-V829 HydrophobicContact CB-CG1 4.45Å; I801-V829 HydrophobicContact CD1-CG1 4.09Å; I801-V829 HydrophobicContact CG2-CG1 3.85Å; I801-Y852 HydrophobicContact CG2-CD1 3.88Å
802	Y	96.9	Very high	94.6	Very high	32 Å²	32	34.7 Å²	34.7	13%	0.125	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	153	172.3	-68.7	-94.6	0	0	0	110.5	P800 G805 Q806 L807 Y852 E853 N855 R860	P800-Y802 HydrophobicContact CB-CD2 4.45Å; P800-Y802 HydrophobicContact CB-CE2 3.82Å; Y802-G805 WeakPolarHBondContact CD1-O 3.47Å; Y802-Q806 CarbonylContact C-O 3.54Å; Y802-Q806 WeakPolarHBondContact CA-O 3.23Å; Y802-Q806 WeakPolarHBondContact CB-O 3.32Å; Y802-Q806 VanDerWaalsContact CD1-C 3.48Å; Y802-Q806 WeakPolarHBondContact CD1-O 3.49Å; Y802-L807 HydrophobicContact CD1-CB 4.36Å; Y802-L807 HydrophobicContact CE1-CB 4.07Å; Y802-L807 HydrophobicContact CE1-CD1 4.44Å; Y802-Y852 CarbonylContact O-C 3.54Å; Y802-Y852 VanDerWaalsContact O-CA 3.28Å; Y802-Y852 WeakPolarHBondContact O-CA 3.45Å; Y802-Y852 WeakPolarHBondContact O-CD1 3.39Å; Y802-E853 PolarHBondContact N-O 3.41Å; Y802-E853 PolarHBondContact O-N 3.37Å; Y802-N855 HydrophobicContact CD2-CB 4.06Å; Y802-N855 HydrophobicContact CE2-CB 3.71Å; Y802-R860 VanDerWaalsContact CE1-NH2 3.33Å
803	R	96.1	Very high	94.6	Very high	52 Å²	52	33.4 Å²	33.4	20%	0.196	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	121.3	170.9	-172.2	-167.5	-177.9	-72.9	1.8	108.6	G805 Q806 A808 F846 D851 Y852	R803-G805 PolarHBondContact O-N 2.99Å; R803-Q806 PolarHBondContact N-O 3.05Å; R803-Q806 PolarHBondContact O-N 2.95Å; R803-A808 HydrophobicContact CB-CB 3.7Å; R803-F846 PolarHBondContact NE-O 2.79Å; R803-F846 VanDerWaalsContact NE-O 3.08Å; R803-F846 PolarHBondContact NH2-O 2.85Å; R803-D851 CarbonylContact C-O 3.56Å; R803-D851 VanDerWaalsContact CA-O 3.27Å; R803-D851 WeakPolarHBondContact CA-O 3.16Å; R803-Y852 HydrophobicContact CB-CD1 3.92Å; R803-Y852 HydrophobicContact CB-CE1 3.73Å; R803-Y852 WeakPolarHBondContact CD-OH 3.44Å; R803-Y852 HydrophobicContact CG-CD1 4.13Å; R803-Y852 HydrophobicContact CG-CE1 3.74Å; R803-Y852 HydrophobicContact CG-CE2 4.22Å; R803-Y852 PolarHBondContact NE-OH 2.85Å
804	S	94.4	Very high	94.6	Very high	68 Å²	68	32.6 Å²	32.6	48%	0.476	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	45.5	-178.3	-49.1	0	0	0	0	112.3	Q806 D851	S804-Q806 VanDerWaalsContact C-N 3.3Å; S804-Q806 PolarHBondContact O-N 3.49Å; S804-D851 PolarHBondContact N-O 3.39Å; S804-D851 PolarHBondContact OG-OD2 2.76Å
805	G	92.4	Very high	94.6	Very high	40 Å²	40	32.7 Å²	32.7	41%	0.412	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-22.7	-179.2	0	0	0	0	0	116.5	Y802 R803 R860	Y802-G805 WeakPolarHBondContact CD1-O 3.47Å; R803-G805 PolarHBondContact O-N 2.99Å; G805-R860 PolarHBondContact O-NH1 2.86Å
806	Q	93.3	Very high	94.7	Very high	126 Å²	126	34.1 Å²	34.1	59%	0.589	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	150.4	-178.7	-62.7	-173.9	-4.3	0	0	112.4	Y802 R803 S804 A808	Y802-Q806 CarbonylContact C-O 3.54Å; Y802-Q806 WeakPolarHBondContact CA-O 3.23Å; Y802-Q806 WeakPolarHBondContact CB-O 3.32Å; Y802-Q806 VanDerWaalsContact CD1-C 3.48Å; Y802-Q806 WeakPolarHBondContact CD1-O 3.49Å; R803-Q806 PolarHBondContact N-O 3.05Å; R803-Q806 PolarHBondContact O-N 2.95Å; S804-Q806 VanDerWaalsContact C-N 3.3Å; S804-Q806 PolarHBondContact O-N 3.49Å; Q806-A808 PolarHBondContact O-N 3.49Å
807	L	94	Very high	94.9	Very high	80 Å²	80	33.8 Å²	33.8	42%	0.419	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	122.9	175.9	177.8	66.9	0	0	0	109.9	V161 P800 Y802	V161-L807 HydrophobicContact CB-CD2 4.22Å; V161-L807 HydrophobicContact CG1-CD2 4.22Å; V161-L807 HydrophobicContact CG2-CD1 3.82Å; V161-L807 HydrophobicContact CG2-CD2 3.95Å; P800-L807 HydrophobicContact CB-CD1 3.94Å; Y802-L807 HydrophobicContact CD1-CB 4.36Å; Y802-L807 HydrophobicContact CE1-CB 4.07Å; Y802-L807 HydrophobicContact CE1-CD1 4.44Å
808	A	95.1	Very high	95.2	Very high	13 Å²	13	29.6 Å²	29.6	11%	0.107	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-17.4	-177.6	0	0	0	0	0	113.7	I801 R803 Q806 V829 S830	I801-A808 PolarHBondContact O-N 3.36Å; R803-A808 HydrophobicContact CB-CB 3.7Å; Q806-A808 PolarHBondContact O-N 3.49Å; A808-V829 CarbonylContact O-C 3.58Å; A808-V829 VanDerWaalsContact O-CA 3.31Å; A808-V829 WeakPolarHBondContact O-CA 3.44Å; A808-S830 PolarHBondContact O-N 2.91Å
809	G	94.8	Very high	95.2	Very high	19 Å²	19	32.3 Å²	32.3	20%	0.196	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.6	-153.9	178.8	0	0	0	0	0	114.8	I801 F828	I801-G809 PolarHBondContact N-O 2.55Å; I801-G809 PolarHBondContact O-N 2.98Å; I801-G809 VanDerWaalsContact O-N 3.08Å; G809-F828 WeakPolarHBondContact CA-O 3.46Å
810	T	95.3	Very high	95	Very high	50 Å²	50	34.4 Å²	34.4	31%	0.307	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	145.2	-177.7	52.8	0	0	0	0	112.7	V161 E799 I801 G827 F828	V161-T810 HydrophobicContact CG1-CG2 3.77Å; V161-T810 HydrophobicContact CG2-CG2 4.36Å; E799-T810 WeakPolarHBondContact O-CA 3.4Å; I801-T810 WeakPolarHBondContact CD1-O 3.21Å; T810-G827 WeakPolarHBondContact O-CA 3.2Å; T810-F828 PolarHBondContact N-O 2.69Å; T810-F828 PolarHBondContact O-N 3.31Å
811	T	96.5	Very high	94.9	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.025	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	142.4	170	69.8	0	0	0	0	110.9	G798 E799 I801 C825 L826 V854	G798-T811 VanDerWaalsContact CA-O 3.26Å; G798-T811 WeakPolarHBondContact CA-O 3.07Å; G798-T811 PolarHBondContact N-O 2.86Å; G798-T811 PolarHBondContact N-OG1 2.88Å; E799-T811 HydrophobicContact CB-CG2 4.07Å; E799-T811 PolarHBondContact N-OG1 3.37Å; E799-T811 PolarHBondContact O-N 3.23Å; E799-T811 PolarHBondContact OE2-OG1 2.81Å; I801-T811 HydrophobicContact CD1-CG2 4.27Å; I801-T811 HydrophobicContact CG1-CG2 4.02Å; T811-C825 HydrophobicContact CG2-CB 3.74Å; T811-L826 CarbonylContact C-O 3.46Å; T811-L826 VanDerWaalsContact CA-O 3.25Å; T811-L826 WeakPolarHBondContact CA-O 3.49Å; T811-V854 HydrophobicContact CG2-CG1 4.1Å
812	T	95.2	Very high	94.8	Very high	28 Å²	28	46.3 Å²	46.3	17%	0.172	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-34.1	174	52.3	0	0	0	0	111.4	Q736 D737 W797 L826 F828	Q736-T812 WeakPolarHBondContact O-CB 3.49Å; D737-T812 WeakPolarHBondContact OD1-CB 3.39Å; D737-T812 PolarHBondContact OD1-OG1 2.72Å; W797-T812 WeakPolarHBondContact CB-O 3.37Å; T812-L826 PolarHBondContact N-O 2.82Å; T812-L826 PolarHBondContact OG1-O 3.1Å; T812-F828 HydrophobicContact CG2-CD2 4.01Å; T812-F828 HydrophobicContact CG2-CE2 4.24Å
813	S	95.6	Very high	94.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	140.6	-179.5	-69.5	0	0	0	0	111.7	R726 D737 C825 L826	R726-S813 PolarHBondContact NH2-OG 3.27Å; D737-S813 VanDerWaalsContact CG-OG 3.29Å; D737-S813 VanDerWaalsContact OD1-CB 3.24Å; D737-S813 WeakPolarHBondContact OD1-CB 3.19Å; D737-S813 PolarHBondContact OD1-OG 2.81Å; D737-S813 PolarHBondContact OD2-OG 3.05Å; S813-C825 CarbonylContact O-C 3.51Å; S813-L826 PolarHBondContact N-O 3.14Å; S813-L826 PolarHBondContact O-N 2.95Å
814	S	95.7	Very high	94.8	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	161.2	161.9	75.6	0	0	0	0	114.1	R723 I727 P795 W796 V824	R723-S814 PolarHBondContact NE-O 2.76Å; R723-S814 PolarHBondContact NH2-O 2.9Å; R723-S814 VanDerWaalsContact NH2-O 3.15Å; I727-S814 VanDerWaalsContact CD1-O 3.28Å; I727-S814 WeakPolarHBondContact CD1-O 3.23Å; P795-S814 PolarHBondContact O-OG 2.75Å; W796-S814 WeakPolarHBondContact CA-OG 3.02Å; W796-S814 PolarHBondContact N-OG 2.88Å; W796-S814 PolarHBondContact O-N 3.05Å; W796-S814 VanDerWaalsContact O-N 3.15Å; W796-S814 PolarHBondContact O-OG 3.33Å; S814-V824 VanDerWaalsContact CA-O 3.26Å; S814-V824 WeakPolarHBondContact CA-O 3.29Å
815	A	95.7	Very high	95	Very high	5 Å²	5	39.1 Å²	39.1	4%	0.041	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	160	156.2	0	0	0	0	0	110.4	R723 I727 V824	R723-A815 HydrophobicContact CG-CB 4.45Å; I727-A815 HydrophobicContact CB-CB 4.36Å; I727-A815 HydrophobicContact CD1-CB 3.79Å; I727-A815 HydrophobicContact CG2-CB 4.43Å; A815-V824 PolarHBondContact N-O 3.09Å; A815-V824 PolarHBondContact O-N 3Å; A815-V824 VanDerWaalsContact O-O 3.07Å
816	Y	96.4	Very high	95.2	Very high	30 Å²	30	37.2 Å²	37.2	12%	0.118	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.2	162.4	-167.8	-100.6	0	0	0	110.1	F519 S724 T789 Y818 E821 H823	F519-Y816 AromaticContact CE2-CD1 3.52Å; F519-Y816 HydrophobicContact CE2-CD1 3.52Å; F519-Y816 HydrophobicContact CE2-CD2 4.16Å; F519-Y816 AromaticContact CE2-CE1 3.87Å; F519-Y816 HydrophobicContact CE2-CE1 3.87Å; F519-Y816 HydrophobicContact CE2-CE2 4.46Å; F519-Y816 AromaticContact CE2-CG 3.67Å; F519-Y816 HydrophobicContact CE2-CG 3.67Å; F519-Y816 AromaticContact CZ-CD1 3.69Å; F519-Y816 HydrophobicContact CZ-CD1 3.69Å; F519-Y816 AromaticContact CZ-CE1 3.53Å; F519-Y816 HydrophobicContact CZ-CE1 3.53Å; F519-Y816 HydrophobicContact CZ-CE2 4.42Å; F519-Y816 HydrophobicContact CZ-CG 4.2Å; F519-Y816 AromaticContact CZ-CZ 3.91Å; S724-Y816 PolarHBondContact OG-O 2.86Å; T789-Y816 HydrophobicContact CG2-CD2 4.48Å; T789-Y816 HydrophobicContact CG2-CE2 4.22Å; T789-Y816 WeakPolarHBondContact OG1-CE2 3.45Å; Y816-Y818 AromaticContact CD1-CD1 3.69Å; Y816-Y818 HydrophobicContact CD1-CD1 3.69Å; Y816-Y818 HydrophobicContact CD1-CD2 4.3Å; Y816-Y818 AromaticContact CD1-CE1 3.81Å; Y816-Y818 HydrophobicContact CD1-CE1 3.81Å; Y816-Y818 HydrophobicContact CD1-CE2 4.41Å; Y816-Y818 AromaticContact CD1-CG 3.95Å; Y816-Y818 HydrophobicContact CD1-CG 3.95Å; Y816-Y818 AromaticContact CE1-CD1 3.87Å; Y816-Y818 HydrophobicContact CE1-CD1 3.87Å; Y816-Y818 HydrophobicContact CE1-CE1 4.27Å; Y816-Y818 HydrophobicContact CE1-CG 4.31Å; Y816-E821 VanDerWaalsContact OH-C 3.25Å; Y816-E821 VanDerWaalsContact OH-CA 3.3Å; Y816-E821 WeakPolarHBondContact OH-CA 3.5Å; Y816-E821 PolarHBondContact OH-O 2.83Å; Y816-H823 AromaticContact CD2-CD2 3.65Å; Y816-H823 AromaticContact CD2-NE2 3.95Å
817	S	95.3	Very high	95.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	111.2	167.4	166.6	0	0	0	0	108.7	E728 T819 L820 E821 R822	E728-S817 PolarHBondContact OE2-OG 3.34Å; S817-T819 PolarHBondContact O-N 3.37Å; S817-T819 PolarHBondContact OG-N 2.93Å; S817-L820 PolarHBondContact O-N 3.37Å; S817-L820 WeakPolarHBondContact OG-CB 3.47Å; S817-L820 WeakPolarHBondContact OG-CG 3.49Å; S817-L820 PolarHBondContact OG-N 3.36Å; S817-L820 VanDerWaalsContact OG-N 3.12Å; S817-E821 WeakPolarHBondContact O-CA 3.05Å; S817-E821 PolarHBondContact O-N 2.79Å; S817-R822 PolarHBondContact N-O 3.26Å; S817-R822 PolarHBondContact O-N 2.94Å
818	Y	94.9	Very high	95.5	Very high	44 Å²	44	28.2 Å²	28.2	17%	0.173	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.7	176	-58.1	-87.5	0	0	0	112.8	F519 V522 G523 V526 Y816	F519-Y818 HydrophobicContact CD1-CE1 4.26Å; F519-Y818 AromaticContact CD2-CE1 3.95Å; F519-Y818 HydrophobicContact CD2-CE1 3.95Å; F519-Y818 AromaticContact CE1-CE1 3.96Å; F519-Y818 HydrophobicContact CE1-CE1 3.96Å; F519-Y818 AromaticContact CE2-CE1 3.64Å; F519-Y818 HydrophobicContact CE2-CE1 3.64Å; F519-Y818 HydrophobicContact CG-CE1 4.28Å; F519-Y818 HydrophobicContact CZ-CD1 4.23Å; F519-Y818 AromaticContact CZ-CE1 3.66Å; F519-Y818 HydrophobicContact CZ-CE1 3.66Å; F519-Y818 PolarHBondContact O-OH 3.28Å; F519-Y818 VanDerWaalsContact O-OH 3.1Å; V522-Y818 HydrophobicContact CG1-CE2 3.98Å; G523-Y818 VanDerWaalsContact CA-CE1 3.4Å; V526-Y818 HydrophobicContact CB-CD2 3.91Å; V526-Y818 HydrophobicContact CB-CE2 4.49Å; V526-Y818 HydrophobicContact CG1-CD2 3.95Å; V526-Y818 HydrophobicContact CG1-CG 4.47Å; V526-Y818 HydrophobicContact CG2-CD2 3.86Å; V526-Y818 HydrophobicContact CG2-CE2 4.05Å; Y816-Y818 AromaticContact CD1-CD1 3.69Å; Y816-Y818 HydrophobicContact CD1-CD1 3.69Å; Y816-Y818 HydrophobicContact CD1-CD2 4.3Å; Y816-Y818 AromaticContact CD1-CE1 3.81Å; Y816-Y818 HydrophobicContact CD1-CE1 3.81Å; Y816-Y818 HydrophobicContact CD1-CE2 4.41Å; Y816-Y818 AromaticContact CD1-CG 3.95Å; Y816-Y818 HydrophobicContact CD1-CG 3.95Å; Y816-Y818 AromaticContact CE1-CD1 3.87Å; Y816-Y818 HydrophobicContact CE1-CD1 3.87Å; Y816-Y818 HydrophobicContact CE1-CE1 4.27Å; Y816-Y818 HydrophobicContact CE1-CG 4.31Å
819	T	91.9	Very high	95.5	Very high	75 Å²	75	27.6 Å²	27.6	46%	0.46	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-33.8	175.5	-37	0	0	0	0	112.6	K530 E728 S817	K530-T819 WeakPolarHBondContact CE-OG1 3.41Å; K530-T819 PolarHBondContact NZ-OG1 3.14Å; E728-T819 PolarHBondContact OE1-OG1 2.83Å; E728-T819 VanDerWaalsContact OE1-OG1 3.05Å; E728-T819 WeakPolarHBondContact OE2-CB 3.4Å; E728-T819 PolarHBondContact OE2-OG1 3.29Å; S817-T819 PolarHBondContact O-N 3.37Å; S817-T819 PolarHBondContact OG-N 2.93Å
820	L	91.9	Very high	95.5	Very high	52 Å²	52	28.9 Å²	28.9	27%	0.272	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-11.3	-179.9	-60.9	176.6	0	0	0	112.7	M781 S817 R822 V824 F870	M781-L820 HydrophobicContact CE-CD1 4.14Å; S817-L820 PolarHBondContact O-N 3.37Å; S817-L820 WeakPolarHBondContact OG-CB 3.47Å; S817-L820 WeakPolarHBondContact OG-CG 3.49Å; S817-L820 PolarHBondContact OG-N 3.36Å; S817-L820 VanDerWaalsContact OG-N 3.12Å; L820-R822 HydrophobicContact CB-CB 4.48Å; L820-R822 WeakPolarHBondContact O-CG 3.41Å; L820-R822 PolarHBondContact O-N 3.12Å; L820-V824 HydrophobicContact CD1-CG2 4.28Å; L820-F870 HydrophobicContact CD1-CD2 4.1Å; L820-F870 HydrophobicContact CD1-CG 4.25Å; L820-F870 HydrophobicContact CD2-CB 4.19Å; L820-F870 HydrophobicContact CD2-CD1 4.3Å; L820-F870 HydrophobicContact CD2-CG 4.2Å
821	E	94.6	Very high	95.4	Very high	142 Å²	142	27.4 Å²	27.4	66%	0.664	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	36.5	-172.1	-60.4	-178.6	169.3	0	0	112.8	Y816 S817	Y816-E821 VanDerWaalsContact OH-C 3.25Å; Y816-E821 VanDerWaalsContact OH-CA 3.3Å; Y816-E821 WeakPolarHBondContact OH-CA 3.5Å; Y816-E821 PolarHBondContact OH-O 2.83Å; S817-E821 WeakPolarHBondContact O-CA 3.05Å; S817-E821 PolarHBondContact O-N 2.79Å
822	R	95.3	Very high	95	Very high	108 Å²	108	30.4 Å²	30.4	41%	0.408	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	154.9	-176.6	-64.8	-62.5	178.8	-170.9	4.1	112.1	V783 S817 L820	V783-R822 HydrophobicContact CG1-CB 3.61Å; V783-R822 HydrophobicContact CG1-CG 4Å; S817-R822 PolarHBondContact N-O 3.26Å; S817-R822 PolarHBondContact O-N 2.94Å; L820-R822 HydrophobicContact CB-CB 4.48Å; L820-R822 WeakPolarHBondContact O-CG 3.41Å; L820-R822 PolarHBondContact O-N 3.12Å
823	H	96.1	Very high	94.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	133.3	166.1	-93.8	-80.7	0	0	0	111.5	L784 H787 W794 P795 Y816	L784-H823 HydrophobicContact CB-CB 4.21Å; L784-H823 HydrophobicContact CD1-CB 3.81Å; L784-H823 HydrophobicContact CG-CB 3.96Å; L784-H823 PolarHBondContact N-O 3.12Å; H787-H823 AromaticContact CE1-CD2 3.34Å; H787-H823 PolarHBondContact CE1-CD2 2.9Å; H787-H823 AromaticContact CE1-NE2 3.76Å; H787-H823 AromaticContact ND1-CD2 3.19Å; H787-H823 PolarHBondContact ND1-CD2 3.48Å; H787-H823 AromaticContact ND1-CG 3.93Å; W794-H823 AromaticContact CD1-CE1 3.63Å; W794-H823 AromaticContact CD1-NE2 2.75Å; W794-H823 AromaticContact CD2-CE1 2.7Å; W794-H823 AromaticContact CD2-NE2 3.33Å; W794-H823 VanDerWaalsContact CD2-NE2 3.33Å; W794-H823 AromaticContact CE2-CE1 2.9Å; W794-H823 AromaticContact CE2-NE2 2.62Å; W794-H823 AromaticContact CE3-CE1 3.01Å; W794-H823 AromaticContact CG-CE1 3.2Å; W794-H823 AromaticContact CG-NE2 3.37Å; W794-H823 AromaticContact CH2-CE1 3.6Å; W794-H823 AromaticContact CZ2-CE1 3.34Å; W794-H823 WeakPolarHBondContact CZ2-CE1 3.45Å; W794-H823 AromaticContact CZ2-NE2 3.28Å; W794-H823 VanDerWaalsContact CZ2-NE2 3.28Å; W794-H823 WeakPolarHBondContact CZ2-NE2 3.33Å; W794-H823 AromaticContact CZ3-CE1 3.46Å; W794-H823 VanDerWaalsContact CZ3-CE1 3.46Å; W794-H823 WeakPolarHBondContact CZ3-CE1 3.44Å; W794-H823 AromaticContact NE1-CE1 3.48Å; W794-H823 PolarHBondContact NE1-CE1 3.47Å; W794-H823 AromaticContact NE1-NE2 2.21Å; W794-H823 PolarHBondContact NE1-NE2 3.23Å; P795-H823 HydrophobicContact CG-CB 4.17Å; P795-H823 WeakPolarHBondContact CG-ND1 3.49Å; Y816-H823 AromaticContact CD2-CD2 3.65Å; Y816-H823 AromaticContact CD2-NE2 3.95Å
824	V	96.9	Very high	93.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.2	176.9	-177.9	0	0	0	0	109	I727 M781 V783 S814 A815 L820 L826	I727-V824 HydrophobicContact CG2-CB 3.87Å; I727-V824 HydrophobicContact CG2-CG1 3.56Å; M781-V824 HydrophobicContact CE-CB 4.42Å; M781-V824 HydrophobicContact CE-CG1 3.5Å; M781-V824 VanDerWaalsContact CE-CG1 3.5Å; M781-V824 HydrophobicContact CE-CG2 3.99Å; M781-V824 HydrophobicContact CG-CG1 3.74Å; M781-V824 HydrophobicContact SD-CG1 4.46Å; V783-V824 HydrophobicContact CG2-CG2 4.35Å; S814-V824 VanDerWaalsContact CA-O 3.26Å; S814-V824 WeakPolarHBondContact CA-O 3.29Å; A815-V824 PolarHBondContact N-O 3.09Å; A815-V824 PolarHBondContact O-N 3Å; A815-V824 VanDerWaalsContact O-O 3.07Å; L820-V824 HydrophobicContact CD1-CG2 4.28Å; V824-L826 HydrophobicContact CG1-CD2 4.16Å
825	C	97.1	Very high	92.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.1	172	-67	0	0	0	0	109.4	L782 T811 S813	L782-C825 HydrophobicContact CB-CB 4.23Å; L782-C825 PolarHBondContact N-O 2.87Å; L782-C825 PolarHBondContact O-N 2.78Å; T811-C825 HydrophobicContact CG2-CB 3.74Å; S813-C825 CarbonylContact O-C 3.51Å
826	L	97.6	Very high	91.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	149.3	166.6	-49.9	-171	0	0	0	108.3	I727 F730 F779 V780 M781 T811 T812 S813 V824	I727-L826 HydrophobicContact CG1-CD1 4.16Å; I727-L826 HydrophobicContact CG2-CD1 4.39Å; I727-L826 HydrophobicContact CG2-CD2 4.23Å; I727-L826 HydrophobicContact CG2-CG 4.08Å; F730-L826 HydrophobicContact CD2-CD1 4.31Å; F730-L826 HydrophobicContact CD2-CD2 3.7Å; F730-L826 HydrophobicContact CE2-CD2 4.06Å; F779-L826 HydrophobicContact CE1-CB 4.47Å; F779-L826 HydrophobicContact CE1-CD1 4.16Å; F779-L826 HydrophobicContact CE2-CB 3.98Å; F779-L826 HydrophobicContact CZ-CB 3.64Å; F779-L826 HydrophobicContact CZ-CD1 3.76Å; F779-L826 HydrophobicContact CZ-CG 4.3Å; V780-L826 WeakPolarHBondContact O-CA 3.41Å; M781-L826 HydrophobicContact CB-CD2 3.96Å; M781-L826 HydrophobicContact CG-CD2 3.93Å; T811-L826 CarbonylContact C-O 3.46Å; T811-L826 VanDerWaalsContact CA-O 3.25Å; T811-L826 WeakPolarHBondContact CA-O 3.49Å; T812-L826 PolarHBondContact N-O 2.82Å; T812-L826 PolarHBondContact OG1-O 3.1Å; S813-L826 PolarHBondContact N-O 3.14Å; S813-L826 PolarHBondContact O-N 2.95Å; V824-L826 HydrophobicContact CG1-CD2 4.16Å
827	G	96.6	Very high	90.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.1	-177.3	177.8	0	0	0	0	0	112.9	F779 V780 T810	F779-G827 CarbonylContact C-O 3.52Å; F779-G827 WeakPolarHBondContact CA-O 3.48Å; F779-G827 WeakPolarHBondContact CD2-O 3.29Å; V780-G827 PolarHBondContact N-O 3.32Å; V780-G827 PolarHBondContact O-N 2.95Å; V780-G827 VanDerWaalsContact O-N 3.14Å; T810-G827 WeakPolarHBondContact O-CA 3.2Å
828	F	96.4	Very high	90.2	Very high	18 Å²	18	55.2 Å²	55.2	8%	0.079	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.5	174	-71.4	-92.5	0	0	0	110.6	D737 T742 E746 R777 R778 F779 G809 T810 T812	D737-F828 WeakPolarHBondContact O-CE2 3.45Å; T742-F828 HydrophobicContact CG2-CE1 4.18Å; T742-F828 HydrophobicContact CG2-CE2 4.47Å; T742-F828 HydrophobicContact CG2-CZ 3.58Å; E746-F828 HydrophobicContact CB-CE1 4.19Å; R777-F828 HydrophobicContact CB-CD1 4.5Å; R777-F828 HydrophobicContact CG-CD1 4.14Å; R778-F828 WeakPolarHBondContact O-CA 3.13Å; F779-F828 HydrophobicContact CB-CD1 4.2Å; F779-F828 HydrophobicContact CB-CE1 3.74Å; F779-F828 HydrophobicContact CB-CZ 4Å; F779-F828 HydrophobicContact CD2-CD2 4.04Å; F779-F828 HydrophobicContact CD2-CE1 4.17Å; F779-F828 AromaticContact CD2-CE2 3.61Å; F779-F828 HydrophobicContact CD2-CE2 3.61Å; F779-F828 HydrophobicContact CD2-CG 4.48Å; F779-F828 AromaticContact CD2-CZ 3.67Å; F779-F828 HydrophobicContact CD2-CZ 3.67Å; F779-F828 HydrophobicContact CE2-CE2 4.2Å; F779-F828 HydrophobicContact CG-CE1 4.4Å; F779-F828 HydrophobicContact CG-CZ 4.19Å; G809-F828 WeakPolarHBondContact CA-O 3.46Å; T810-F828 PolarHBondContact N-O 2.69Å; T810-F828 PolarHBondContact O-N 3.31Å; T812-F828 HydrophobicContact CG2-CD2 4.01Å; T812-F828 HydrophobicContact CG2-CE2 4.24Å
829	V	96.5	Very high	89.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.1	169.9	-66.8	0	0	0	0	110.9	R777 R778 V780 I801 A808 I842 I847 Y852	R777-V829 CarbonylContact C-O 3.59Å; R777-V829 VanDerWaalsContact CA-O 3.28Å; R777-V829 WeakPolarHBondContact CA-O 3.26Å; R778-V829 PolarHBondContact N-O 3.4Å; R778-V829 PolarHBondContact O-N 3.04Å; V780-V829 HydrophobicContact CB-CG2 4.43Å; V780-V829 HydrophobicContact CG1-CG2 3.72Å; V780-V829 HydrophobicContact CG2-CB 4.44Å; V780-V829 HydrophobicContact CG2-CG1 3.86Å; V780-V829 HydrophobicContact CG2-CG2 3.8Å; I801-V829 HydrophobicContact CB-CG1 4.45Å; I801-V829 HydrophobicContact CD1-CG1 4.09Å; I801-V829 HydrophobicContact CG2-CG1 3.85Å; A808-V829 CarbonylContact O-C 3.58Å; A808-V829 VanDerWaalsContact O-CA 3.31Å; A808-V829 WeakPolarHBondContact O-CA 3.44Å; V829-I842 HydrophobicContact CG2-CD1 3.9Å; V829-I842 WeakPolarHBondContact O-CD1 3.46Å; V829-I847 HydrophobicContact CG2-CG1 4.44Å; V829-Y852 HydrophobicContact CG1-CE1 4Å
830	S	94.9	Very high	89.6	Confident	45 Å²	45	56.1 Å²	56.1	32%	0.315	32%	0.323	S	S	.	.			trans	-127.9	150.7	173.9	-75.9	0	0	0	0	110.4	F776 R777 A808	F776-S830 WeakPolarHBondContact O-CB 3.48Å; F776-S830 PolarHBondContact O-OG 3.26Å; R777-S830 VanDerWaalsContact CB-OG 3.24Å; R777-S830 WeakPolarHBondContact CB-OG 3.48Å; A808-S830 PolarHBondContact O-N 2.91Å
831	P	92.4	Very high	89.6	Confident	20 Å²	20	56.6 Å²	56.6	13%	0.13	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-68.7	160.2	163	31.9	-33.5	0	0	0	110.4	T840 I842 F846	P831-T840 HydrophobicContact CB-CG2 4.45Å; P831-T840 HydrophobicContact CG-CG2 4.19Å; P831-T840 WeakPolarHBondContact CG-O 3.22Å; P831-I842 HydrophobicContact CG-CB 4.43Å; P831-F846 VanDerWaalsContact CA-CZ 3.47Å; P831-F846 HydrophobicContact CB-CD2 4.29Å; P831-F846 HydrophobicContact CB-CE1 4.45Å; P831-F846 HydrophobicContact CB-CE2 3.8Å; P831-F846 HydrophobicContact CB-CZ 3.89Å
832	P	87.5	Confident	89.6	Confident	67 Å²	67	50.7 Å²	50.7	44%	0.435	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-59.2	156.6	166.5	28.2	-35.2	0	0	0	110.4
833	P	85.4	Confident	89.4	Confident	96 Å²	96	48.8 Å²	48.8	62%	0.623	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-54.4	144.6	169.6	-23	33.8	0	0	0	111.2
834	G	81.3	Confident	89.2	Confident	21 Å²	21	52.6 Å²	52.6	22%	0.216	33%	0.327	C	S	.	.			trans	-76.7	-168.5	177.5	0	0	0	0	0	112.7	G837 L838 T840	G834-G837 PolarHBondContact O-N 2.69Å; G834-G837 VanDerWaalsContact O-N 3.08Å; G834-L838 PolarHBondContact N-O 3.33Å; G834-T840 WeakPolarHBondContact CA-OG1 3.33Å; G834-T840 PolarHBondContact N-OG1 3.48Å
835	P	69.1	Low	88.9	Confident	117 Å²	117	56.7 Å²	56.7	76%	0.76	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-48.7	143.8	165.6	-23.5	34.4	0	0	0	110.8	G837 L838	P835-G837 PolarHBondContact O-N 3.22Å; P835-L838 PolarHBondContact O-N 3.34Å
836	E	76.7	Confident	88.7	Confident	195 Å²	195	58.5 Å²	58.5	91%	0.911	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	62.3	7.2	-177.9	-52.3	179.7	177	0	0	115.2
837	G	79.1	Confident	88.5	Confident	51 Å²	51	58.7 Å²	58.7	53%	0.526	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	82.2	9.9	178	0	0	0	0	0	114.5	G834 P835	G834-G837 PolarHBondContact O-N 2.69Å; G834-G837 VanDerWaalsContact O-N 3.08Å; P835-G837 PolarHBondContact O-N 3.22Å
838	L	81.9	Confident	88.2	Confident	107 Å²	107	63 Å²	63	56%	0.56	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-69.6	147	-179.8	-67	173.4	0	0	0	112.3	G834 P835 T840	G834-L838 PolarHBondContact N-O 3.33Å; P835-L838 PolarHBondContact O-N 3.34Å; L838-T840 PolarHBondContact O-N 2.69Å
839	P	83.9	Confident	87.9	Confident	85 Å²	85	70.7 Å²	70.7	55%	0.552	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-58.9	130	172.6	-23.9	35.1	0	0	0	111.8	F776	F776-P839 HydrophobicContact CB-CB 4.25Å; F776-P839 HydrophobicContact CD1-CB 3.37Å; F776-P839 HydrophobicContact CD2-CB 4.33Å; F776-P839 HydrophobicContact CE1-CB 3.72Å; F776-P839 HydrophobicContact CG-CB 3.72Å; F776-P839 HydrophobicContact CZ-CB 4.33Å
840	T	89.8	Confident	87.6	Confident	53 Å²	53	71.4 Å²	71.4	33%	0.325	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-96.3	129.5	175.6	-62.6	0	0	0	0	109.9	P831 G834 L838	P831-T840 HydrophobicContact CB-CG2 4.45Å; P831-T840 HydrophobicContact CG-CG2 4.19Å; P831-T840 WeakPolarHBondContact CG-O 3.22Å; G834-T840 WeakPolarHBondContact CA-OG1 3.33Å; G834-T840 PolarHBondContact N-OG1 3.48Å; L838-T840 PolarHBondContact O-N 2.69Å
841	P	92.4	Very high	87.7	Confident	62 Å²	62	74.9 Å²	74.9	40%	0.403	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-61.3	135.6	174	-24.6	34.5	0	0	0	112.1	E773 V775 F776	E773-P841 WeakPolarHBondContact O-CG 3.32Å; V775-P841 CarbonylContact O-C 3.56Å; V775-P841 WeakPolarHBondContact O-CA 3.18Å; F776-P841 HydrophobicContact CD1-CG 4.39Å; F776-P841 HydrophobicContact CE1-CG 3.86Å
842	I	94.1	Very high	87.9	Confident	18 Å²	18	74.2 Å²	74.2	9%	0.092	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-87.6	129.9	-179.1	-162.4	172.6	0	0	0	111.5	V775 R778 V829 P831 F846 I847	V775-I842 HydrophobicContact CG2-CG2 3.98Å; V775-I842 WeakPolarHBondContact O-CG2 3.49Å; V775-I842 PolarHBondContact O-N 2.83Å; R778-I842 HydrophobicContact CB-CD1 4.04Å; R778-I842 HydrophobicContact CB-CG2 3.77Å; V829-I842 HydrophobicContact CG2-CD1 3.9Å; V829-I842 WeakPolarHBondContact O-CD1 3.46Å; P831-I842 HydrophobicContact CG-CB 4.43Å; I842-F846 HydrophobicContact CD1-CD1 3.64Å; I842-F846 HydrophobicContact CD1-CE1 3.81Å; I842-F846 HydrophobicContact CG1-CB 4.38Å; I842-F846 HydrophobicContact CG1-CD1 3.52Å; I842-F846 HydrophobicContact CG1-CE1 4.1Å; I842-F846 HydrophobicContact CG1-CG 4.17Å; I842-I847 HydrophobicContact CD1-CD1 3.91Å; I842-I847 HydrophobicContact CD1-CG1 3.89Å; I842-I847 HydrophobicContact CG1-CD1 4.15Å; I842-I847 HydrophobicContact CG1-CG1 4.14Å
843	T	92.1	Very high	88.4	Confident	69 Å²	69	73.5 Å²	73.5	42%	0.423	42%	0.418	S	S	.	.			trans	-105.2	158.4	-178.7	66.8	0	0	0	0	112.2	D845 F846 I847	T843-D845 PolarHBondContact O-N 3.25Å; T843-F846 WeakPolarHBondContact O-CB 3.24Å; T843-F846 PolarHBondContact O-N 2.69Å; T843-F846 PolarHBondContact OG1-N 3.14Å; T843-F846 VanDerWaalsContact OG1-N 3.17Å; T843-I847 PolarHBondContact O-N 3.37Å
844	P	90.8	Very high	89	Confident	81 Å²	81	68.9 Å²	68.9	53%	0.526	39%	0.388	S	S	.	.	H	α-helix	trans	-58.4	-32.8	171.3	-26.2	36	0	0	0	113.6	I847 N848 L867	P844-I847 PolarHBondContact O-N 3.43Å; P844-N848 WeakPolarHBondContact O-CB 3.42Å; P844-N848 PolarHBondContact O-N 3Å; P844-N848 PolarHBondContact O-ND2 3.12Å; P844-L867 HydrophobicContact CB-CD1 3.81Å; P844-L867 HydrophobicContact CG-CD1 4.32Å
845	D	91.6	Very high	89.8	Confident	86 Å²	86	68.4 Å²	68.4	46%	0.46	38%	0.381	S	S	.	.	H	α-helix	trans	-68.6	-38.8	176.5	-90.8	-42.8	0	0	0	112.8	T843 I847 N848 R849	T843-D845 PolarHBondContact O-N 3.25Å; D845-I847 PolarHBondContact O-N 2.96Å; D845-N848 PolarHBondContact O-N 3.46Å; D845-R849 VanDerWaalsContact CG-NH2 3.25Å; D845-R849 WeakPolarHBondContact O-CB 3.14Å; D845-R849 WeakPolarHBondContact O-CG 3.29Å; D845-R849 PolarHBondContact O-N 3.39Å; D845-R849 VanDerWaalsContact O-N 3.08Å; D845-R849 IonicContact OD1-CZ 2.72Å; D845-R849 IonicContact OD1-NE 3.29Å; D845-R849 PolarHBondContact OD1-NE 3.11Å; D845-R849 IonicContact OD1-NH2 3.17Å; D845-R849 PolarHBondContact OD1-NH2 3.41Å; D845-R849 IonicContact OD2-NH2 2.67Å; D845-R849 PolarHBondContact OD2-NH2 3.42Å
846	F	92.6	Very high	91.1	Very high	38 Å²	38	62.9 Å²	62.9	17%	0.167	35%	0.345	C	S	.	.	H	α-helix	trans	-55.9	-39	174.5	174	-90.3	0	0	0	111.7	R803 P831 I842 T843 Y852	R803-F846 PolarHBondContact NE-O 2.79Å; R803-F846 VanDerWaalsContact NE-O 3.08Å; R803-F846 PolarHBondContact NH2-O 2.85Å; P831-F846 VanDerWaalsContact CA-CZ 3.47Å; P831-F846 HydrophobicContact CB-CD2 4.29Å; P831-F846 HydrophobicContact CB-CE1 4.45Å; P831-F846 HydrophobicContact CB-CE2 3.8Å; P831-F846 HydrophobicContact CB-CZ 3.89Å; I842-F846 HydrophobicContact CD1-CD1 3.64Å; I842-F846 HydrophobicContact CD1-CE1 3.81Å; I842-F846 HydrophobicContact CG1-CB 4.38Å; I842-F846 HydrophobicContact CG1-CD1 3.52Å; I842-F846 HydrophobicContact CG1-CE1 4.1Å; I842-F846 HydrophobicContact CG1-CG 4.17Å; T843-F846 WeakPolarHBondContact O-CB 3.24Å; T843-F846 PolarHBondContact O-N 2.69Å; T843-F846 PolarHBondContact OG1-N 3.14Å; T843-F846 VanDerWaalsContact OG1-N 3.17Å; F846-Y852 PolarHBondContact O-OH 3.19Å
847	I	93	Very high	91.9	Very high	3 Å²	3	54 Å²	54	2%	0.015	30%	0.304	C	S	.	.	H	α-helix	trans	-79.9	-46.6	-178.3	-60.3	168.3	0	0	0	111.7	R778 V780 V829 I842 T843 P844 D845 R849 Y852 A865 L867	R778-I847 HydrophobicContact CB-CD1 3.78Å; R778-I847 HydrophobicContact CG-CD1 3.75Å; V780-I847 HydrophobicContact CG1-CD1 4.03Å; V780-I847 HydrophobicContact CG1-CG1 4.45Å; V780-I847 HydrophobicContact CG1-CG2 3.81Å; V829-I847 HydrophobicContact CG2-CG1 4.44Å; I842-I847 HydrophobicContact CD1-CD1 3.91Å; I842-I847 HydrophobicContact CD1-CG1 3.89Å; I842-I847 HydrophobicContact CG1-CD1 4.15Å; I842-I847 HydrophobicContact CG1-CG1 4.14Å; T843-I847 PolarHBondContact O-N 3.37Å; P844-I847 PolarHBondContact O-N 3.43Å; D845-I847 PolarHBondContact O-N 2.96Å; I847-R849 VanDerWaalsContact C-N 3.34Å; I847-R849 PolarHBondContact O-N 3.23Å; I847-Y852 WeakPolarHBondContact CA-OH 3.33Å; I847-Y852 WeakPolarHBondContact O-CE2 3.4Å; I847-A865 HydrophobicContact CG2-CB 3.97Å; I847-L867 HydrophobicContact CD1-CD1 4.47Å; I847-L867 HydrophobicContact CD1-CD2 3.67Å; I847-L867 HydrophobicContact CD1-CG 4.22Å; I847-L867 HydrophobicContact CG2-CG 4.26Å
848	N	90.8	Very high	92.6	Very high	90 Å²	90	54 Å²	54	48%	0.481	30%	0.304	S	S	.	.	H	α-helix	trans	-76.1	-19.5	-174.3	-71.7	-48.9	0	0	0	114	P844 D845	P844-N848 WeakPolarHBondContact O-CB 3.42Å; P844-N848 PolarHBondContact O-N 3Å; P844-N848 PolarHBondContact O-ND2 3.12Å; D845-N848 PolarHBondContact O-N 3.46Å
849	R	89.8	Confident	93.3	Very high	180 Å²	180	53.6 Å²	53.6	68%	0.679	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	14.4	-178.7	-49.9	-174.4	-162.3	-163.7	8.4	114	D845 I847	D845-R849 VanDerWaalsContact CG-NH2 3.25Å; D845-R849 WeakPolarHBondContact O-CB 3.14Å; D845-R849 WeakPolarHBondContact O-CG 3.29Å; D845-R849 PolarHBondContact O-N 3.39Å; D845-R849 VanDerWaalsContact O-N 3.08Å; D845-R849 IonicContact OD1-CZ 2.72Å; D845-R849 IonicContact OD1-NE 3.29Å; D845-R849 PolarHBondContact OD1-NE 3.11Å; D845-R849 IonicContact OD1-NH2 3.17Å; D845-R849 PolarHBondContact OD1-NH2 3.41Å; D845-R849 IonicContact OD2-NH2 2.67Å; D845-R849 PolarHBondContact OD2-NH2 3.42Å; I847-R849 VanDerWaalsContact C-N 3.34Å; I847-R849 PolarHBondContact O-N 3.23Å
850	G	91.1	Very high	93.8	Very high	15 Å²	15	54 Å²	54	16%	0.155	29%	0.29	C	S	.	.			trans	-93.1	140.4	177.7	0	0	0	0	0	112.4	Y852	G850-Y852 WeakPolarHBondContact O-CD2 3.45Å; G850-Y852 WeakPolarHBondContact O-CE2 3.41Å; G850-Y852 PolarHBondContact O-N 2.83Å
851	D	95.8	Very high	94.2	Very high	119 Å²	119	51.7 Å²	51.7	64%	0.636	28%	0.275	S	S	*	.			trans	-82.5	106.3	167.1	-42.7	-64.4	0	0	0	107.8	R803 S804	R803-D851 CarbonylContact C-O 3.56Å; R803-D851 VanDerWaalsContact CA-O 3.27Å; R803-D851 WeakPolarHBondContact CA-O 3.16Å; S804-D851 PolarHBondContact N-O 3.39Å; S804-D851 PolarHBondContact OG-OD2 2.76Å
852	Y	97.9	Very high	94.5	Very high	6 Å²	6	51.3 Å²	51.3	2%	0.024	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	150	-177.9	-68.6	-92.5	0	0	0	111.9	L782 I801 Y802 R803 V829 F846 I847 G850 P862 A863 A865	L782-Y852 HydrophobicContact CD2-CD1 4.32Å; L782-Y852 HydrophobicContact CD2-CG 4.03Å; I801-Y852 HydrophobicContact CG2-CD1 3.88Å; Y802-Y852 CarbonylContact O-C 3.54Å; Y802-Y852 VanDerWaalsContact O-CA 3.28Å; Y802-Y852 WeakPolarHBondContact O-CA 3.45Å; Y802-Y852 WeakPolarHBondContact O-CD1 3.39Å; R803-Y852 HydrophobicContact CB-CD1 3.92Å; R803-Y852 HydrophobicContact CB-CE1 3.73Å; R803-Y852 WeakPolarHBondContact CD-OH 3.44Å; R803-Y852 HydrophobicContact CG-CD1 4.13Å; R803-Y852 HydrophobicContact CG-CE1 3.74Å; R803-Y852 HydrophobicContact CG-CE2 4.22Å; R803-Y852 PolarHBondContact NE-OH 2.85Å; V829-Y852 HydrophobicContact CG1-CE1 4Å; F846-Y852 PolarHBondContact O-OH 3.19Å; I847-Y852 WeakPolarHBondContact CA-OH 3.33Å; I847-Y852 WeakPolarHBondContact O-CE2 3.4Å; G850-Y852 WeakPolarHBondContact O-CD2 3.45Å; G850-Y852 WeakPolarHBondContact O-CE2 3.41Å; G850-Y852 PolarHBondContact O-N 2.83Å; Y852-P862 CarbonylContact O-C 3.57Å; Y852-A863 WeakPolarHBondContact CB-O 3.39Å; Y852-A863 PolarHBondContact O-N 2.84Å; Y852-A865 HydrophobicContact CD2-CB 3.49Å; Y852-A865 VanDerWaalsContact CD2-CB 3.49Å; Y852-A865 HydrophobicContact CE2-CB 3.53Å; Y852-A865 HydrophobicContact CG-CB 4.12Å
853	E	98	Very high	94.6	Very high	51 Å²	51	50.8 Å²	50.8	24%	0.238	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.5	170.2	-47.5	169.9	92.2	0	0	109.8	Y802 R860 Y861	Y802-E853 PolarHBondContact N-O 3.41Å; Y802-E853 PolarHBondContact O-N 3.37Å; E853-R860 HydrophobicContact CB-CB 4.15Å; E853-R860 VanDerWaalsContact CD-CD 3.41Å; E853-R860 VanDerWaalsContact OE1-CB 3.31Å; E853-R860 WeakPolarHBondContact OE1-CB 3.43Å; E853-R860 WeakPolarHBondContact OE1-CD 3.41Å; E853-R860 VanDerWaalsContact OE2-CD 3.25Å; E853-R860 WeakPolarHBondContact OE2-CD 3.35Å; E853-R860 IonicContact OE2-CZ 3.59Å; E853-R860 IonicContact OE2-NE 2.8Å; E853-R860 IonicContact OE2-NH1 2.62Å; E853-R860 PolarHBondContact OE2-NH1 3.39Å; E853-Y861 CarbonylContact C-O 3.47Å; E853-Y861 WeakPolarHBondContact CA-O 3.33Å
854	V	97.9	Very high	94.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.7	169.5	179.5	0	0	0	0	109.3	L782 L784 E799 T811 I856 R860 Y861 A863	L782-V854 HydrophobicContact CD1-CG2 4.15Å; L784-V854 HydrophobicContact CD2-CB 3.75Å; L784-V854 HydrophobicContact CD2-CG2 3.63Å; E799-V854 HydrophobicContact CB-CG1 3.68Å; E799-V854 HydrophobicContact CG-CG1 4.38Å; T811-V854 HydrophobicContact CG2-CG1 4.1Å; V854-I856 HydrophobicContact CG1-CG1 4.33Å; V854-R860 WeakPolarHBondContact O-CA 3.13Å; V854-Y861 PolarHBondContact N-O 2.87Å; V854-Y861 PolarHBondContact O-N 2.91Å; V854-A863 HydrophobicContact CG2-CB 4.13Å
855	N	97.3	Very high	95	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.059	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	104.8	-178	-171.2	-44.7	0	0	0	111.6	T157 E799 P800 Y802 G858 Q859 R860	T157-N855 VanDerWaalsContact CG2-OD1 3.27Å; T157-N855 WeakPolarHBondContact CG2-OD1 3.33Å; E799-N855 WeakPolarHBondContact CB-O 3.26Å; P800-N855 HydrophobicContact CB-CB 4.29Å; P800-N855 WeakPolarHBondContact CD-O 3.18Å; P800-N855 HydrophobicContact CG-CB 4.42Å; P800-N855 PolarHBondContact O-N 3.21Å; Y802-N855 HydrophobicContact CD2-CB 4.06Å; Y802-N855 HydrophobicContact CE2-CB 3.71Å; N855-G858 WeakPolarHBondContact OD1-CA 3.32Å; N855-G858 PolarHBondContact OD1-N 2.95Å; N855-Q859 CarbonylContact C-O 3.54Å; N855-Q859 WeakPolarHBondContact CA-O 3.49Å; N855-R860 HydrophobicContact CB-CG 4.39Å
856	I	96.6	Very high	95	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	107.2	177.2	-42.6	176.6	0	0	0	108.3	L784 L793 P795 E799 V854 G858 Q859 Y861	L784-I856 HydrophobicContact CD1-CD1 4.02Å; L793-I856 HydrophobicContact CB-CG2 3.81Å; L793-I856 WeakPolarHBondContact O-CD1 3.36Å; P795-I856 HydrophobicContact CB-CD1 3.84Å; P795-I856 HydrophobicContact CB-CG1 4.29Å; P795-I856 HydrophobicContact CG-CD1 4.09Å; E799-I856 HydrophobicContact CG-CG1 4.35Å; V854-I856 HydrophobicContact CG1-CG1 4.33Å; I856-G858 PolarHBondContact O-N 2.95Å; I856-G858 VanDerWaalsContact O-N 3.08Å; I856-Q859 PolarHBondContact N-O 3Å; I856-Q859 PolarHBondContact O-N 2.74Å; I856-Q859 VanDerWaalsContact O-N 3.1Å; I856-Y861 HydrophobicContact CB-CD2 4.25Å; I856-Y861 HydrophobicContact CB-CE2 3.88Å; I856-Y861 HydrophobicContact CD1-CD2 3.64Å; I856-Y861 HydrophobicContact CD1-CE2 3.72Å; I856-Y861 HydrophobicContact CD1-CG 4.44Å; I856-Y861 HydrophobicContact CG1-CD2 3.78Å; I856-Y861 HydrophobicContact CG1-CE2 3.88Å
857	A	94.2	Very high	94.9	Very high	7 Å²	7	46.3 Å²	46.3	6%	0.058	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	32.2	176.8	0	0	0	0	0	115.4	K153 R154 L793	K153-A857 HydrophobicContact CB-CB 4.09Å; K153-A857 WeakPolarHBondContact CB-O 3.3Å; R154-A857 HydrophobicContact CG-CB 3.64Å; L793-A857 HydrophobicContact CD1-CB 3.59Å
858	G	93.1	Very high	94.6	Very high	51 Å²	51	53.9 Å²	53.9	53%	0.526	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.2	-19.8	177.4	0	0	0	0	0	114.4	N855 I856	N855-G858 WeakPolarHBondContact OD1-CA 3.32Å; N855-G858 PolarHBondContact OD1-N 2.95Å; I856-G858 PolarHBondContact O-N 2.95Å; I856-G858 VanDerWaalsContact O-N 3.08Å
859	Q	95.6	Very high	94.1	Very high	99 Å²	99	52.1 Å²	52.1	46%	0.463	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	137.6	174	-173.9	171.3	-17.8	0	0	109.7	N855 I856 Y861	N855-Q859 CarbonylContact C-O 3.54Å; N855-Q859 WeakPolarHBondContact CA-O 3.49Å; I856-Q859 PolarHBondContact N-O 3Å; I856-Q859 PolarHBondContact O-N 2.74Å; I856-Q859 VanDerWaalsContact O-N 3.1Å; Q859-Y861 HydrophobicContact CB-CE2 3.94Å; Q859-Y861 VanDerWaalsContact CD-CZ 3.5Å; Q859-Y861 HydrophobicContact CG-CE1 4.41Å; Q859-Y861 HydrophobicContact CG-CE2 3.75Å; Q859-Y861 VanDerWaalsContact NE2-CZ 3.35Å; Q859-Y861 PolarHBondContact NE2-OH 3.26Å; Q859-Y861 PolarHBondContact OE1-OH 2.91Å
860	R	96.3	Very high	93.1	Very high	94 Å²	94	47.6 Å²	47.6	36%	0.355	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.6	178.3	-61.7	-169.4	-172.9	-164.8	0.3	109.6	Y802 G805 E853 V854 N855	Y802-R860 VanDerWaalsContact CE1-NH2 3.33Å; G805-R860 PolarHBondContact O-NH1 2.86Å; E853-R860 HydrophobicContact CB-CB 4.15Å; E853-R860 VanDerWaalsContact CD-CD 3.41Å; E853-R860 VanDerWaalsContact OE1-CB 3.31Å; E853-R860 WeakPolarHBondContact OE1-CB 3.43Å; E853-R860 WeakPolarHBondContact OE1-CD 3.41Å; E853-R860 VanDerWaalsContact OE2-CD 3.25Å; E853-R860 WeakPolarHBondContact OE2-CD 3.35Å; E853-R860 IonicContact OE2-CZ 3.59Å; E853-R860 IonicContact OE2-NE 2.8Å; E853-R860 IonicContact OE2-NH1 2.62Å; E853-R860 PolarHBondContact OE2-NH1 3.39Å; V854-R860 WeakPolarHBondContact O-CA 3.13Å; N855-R860 HydrophobicContact CB-CG 4.39Å
861	Y	97.8	Very high	91.4	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.6	175.7	-61.5	-92.2	0	0	0	108.5	H787 D792 E853 V854 I856 Q859	H787-Y861 HydrophobicContact CB-CD1 4.05Å; H787-Y861 AromaticContact CD2-CD1 3.79Å; H787-Y861 AromaticContact CD2-CE1 3.65Å; H787-Y861 AromaticContact CD2-CZ 3.97Å; D792-Y861 HydrophobicContact CB-CE1 3.96Å; D792-Y861 WeakPolarHBondContact CB-OH 3.48Å; D792-Y861 VanDerWaalsContact CG-CE1 3.48Å; D792-Y861 VanDerWaalsContact CG-OH 3.27Å; D792-Y861 PolarHBondContact OD1-OH 3.17Å; D792-Y861 VanDerWaalsContact OD1-OH 3.09Å; D792-Y861 WeakPolarHBondContact OD2-CE1 3.4Å; E853-Y861 CarbonylContact C-O 3.47Å; E853-Y861 WeakPolarHBondContact CA-O 3.33Å; V854-Y861 PolarHBondContact N-O 2.87Å; V854-Y861 PolarHBondContact O-N 2.91Å; I856-Y861 HydrophobicContact CB-CD2 4.25Å; I856-Y861 HydrophobicContact CB-CE2 3.88Å; I856-Y861 HydrophobicContact CD1-CD2 3.64Å; I856-Y861 HydrophobicContact CD1-CE2 3.72Å; I856-Y861 HydrophobicContact CD1-CG 4.44Å; I856-Y861 HydrophobicContact CG1-CD2 3.78Å; I856-Y861 HydrophobicContact CG1-CE2 3.88Å; Q859-Y861 HydrophobicContact CB-CE2 3.94Å; Q859-Y861 VanDerWaalsContact CD-CZ 3.5Å; Q859-Y861 HydrophobicContact CG-CE1 4.41Å; Q859-Y861 HydrophobicContact CG-CE2 3.75Å; Q859-Y861 VanDerWaalsContact NE2-CZ 3.35Å; Q859-Y861 PolarHBondContact NE2-OH 3.26Å; Q859-Y861 PolarHBondContact OE1-OH 2.91Å
862	P	97.9	Very high	89.2	Confident	55 Å²	55	46 Å²	46	36%	0.357	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	148.7	173.2	-24	34.5	0	0	0	111.4	E785 Y852	E785-P862 HydrophobicContact CB-CB 4.27Å; E785-P862 PolarHBondContact N-O 3.3Å; Y852-P862 CarbonylContact O-C 3.57Å
863	A	97.3	Very high	86.4	Confident	6 Å²	6	51.9 Å²	51.9	5%	0.05	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	142.7	-178.7	0	0	0	0	0	112.3	L782 V783 L784 Y852 V854	L782-A863 HydrophobicContact CB-CB 4.32Å; L782-A863 HydrophobicContact CD2-CB 3.92Å; V783-A863 CarbonylContact O-C 3.56Å; V783-A863 VanDerWaalsContact O-CA 3.26Å; V783-A863 WeakPolarHBondContact O-CA 3.38Å; L784-A863 HydrophobicContact CD2-CB 3.91Å; Y852-A863 WeakPolarHBondContact CB-O 3.39Å; Y852-A863 PolarHBondContact O-N 2.84Å; V854-A863 HydrophobicContact CG2-CB 4.13Å
864	K	95.6	Very high	83.5	Confident	91 Å²	91	56.1 Å²	56.1	40%	0.396	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	112	175.4	-164.1	-179.5	-124.7	96.6	0	110.7	L782 V783 E785	L782-K864 WeakPolarHBondContact CA-O 3.28Å; V783-K864 PolarHBondContact N-O 2.98Å; V783-K864 VanDerWaalsContact N-O 3.09Å; V783-K864 PolarHBondContact O-N 2.85Å; E785-K864 IonicContact OE1-NZ 3.65Å; E785-K864 PolarHBondContact OE1-NZ 2.86Å
865	A	95.4	Very high	80.8	Confident	7 Å²	7	59.5 Å²	59.5	6%	0.058	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	143.1	175.5	0	0	0	0	0	112.5	M781 L782 I847 Y852	M781-A865 CarbonylContact O-C 3.56Å; M781-A865 WeakPolarHBondContact O-CA 3.5Å; L782-A865 HydrophobicContact CD2-CB 3.88Å; I847-A865 HydrophobicContact CG2-CB 3.97Å; Y852-A865 HydrophobicContact CD2-CB 3.49Å; Y852-A865 VanDerWaalsContact CD2-CB 3.49Å; Y852-A865 HydrophobicContact CE2-CB 3.53Å; Y852-A865 HydrophobicContact CG-CB 4.12Å
866	K	91.4	Very high	77.8	Confident	67 Å²	67	63.1 Å²	63.1	29%	0.291	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	144.4	177.3	-66.8	-63.4	175.1	-167.9	0	111.7	V780 M781 F870	V780-K866 WeakPolarHBondContact CA-O 3.37Å; M781-K866 HydrophobicContact CB-CB 4.29Å; M781-K866 PolarHBondContact N-O 2.92Å; M781-K866 PolarHBondContact O-N 2.81Å; K866-F870 HydrophobicContact CG-CE2 3.87Å; K866-F870 HydrophobicContact CG-CZ 4.25Å
867	L	90.4	Very high	74.8	Confident	15 Å²	15	68.9 Å²	68.9	8%	0.079	35%	0.353	C	S	.	.	S	Bend	trans	-89.8	-13	174.7	-79.9	171.3	0	0	0	114.2	F730 R778 V780 P844 I847	F730-L867 VanDerWaalsContact CE1-O 3.3Å; F730-L867 WeakPolarHBondContact CE1-O 3.41Å; R778-L867 HydrophobicContact CG-CD2 3.64Å; V780-L867 HydrophobicContact CG1-CD2 4.48Å; P844-L867 HydrophobicContact CB-CD1 3.81Å; P844-L867 HydrophobicContact CG-CD1 4.32Å; I847-L867 HydrophobicContact CD1-CD1 4.47Å; I847-L867 HydrophobicContact CD1-CD2 3.67Å; I847-L867 HydrophobicContact CD1-CG 4.22Å; I847-L867 HydrophobicContact CG2-CG 4.26Å
868	Y	85.6	Confident	72.1	Confident	162 Å²	162	74.9 Å²	74.9	64%	0.635	38%	0.378	S	S	*	.	S	Bend	trans	-142.6	151.4	-173.1	-57.4	-72.9	0	0	0	108.6
869	P	80.4	Confident	69.3	Low	54 Å²	54	80.6 Å²	80.6	35%	0.351	38%	0.383	S	S	.	.			trans	-61.2	156.5	176	26.9	-34.1	0	0	0	111.1	E728 F730 S871	E728-P869 WeakPolarHBondContact O-CB 3.24Å; F730-P869 HydrophobicContact CB-CB 3.93Å; F730-P869 HydrophobicContact CB-CG 4.2Å; P869-S871 PolarHBondContact O-N 3.43Å
870	F	69.4	Low	66.5	Low	85 Å²	85	84.1 Å²	84.1	37%	0.373	39%	0.392	S	S	.	.			trans	-62	133	171.3	-79.8	-107	0	0	0	109.5	M781 V783 L820 K866 S872	M781-F870 HydrophobicContact CE-CD2 3.9Å; M781-F870 HydrophobicContact CE-CE2 4.36Å; M781-F870 HydrophobicContact SD-CD2 3.98Å; M781-F870 HydrophobicContact SD-CE2 4.31Å; V783-F870 HydrophobicContact CG2-CD2 4.29Å; V783-F870 HydrophobicContact CG2-CE2 3.47Å; V783-F870 VanDerWaalsContact CG2-CE2 3.47Å; V783-F870 HydrophobicContact CG2-CZ 4.03Å; L820-F870 HydrophobicContact CD1-CD2 4.1Å; L820-F870 HydrophobicContact CD1-CG 4.25Å; L820-F870 HydrophobicContact CD2-CB 4.19Å; L820-F870 HydrophobicContact CD2-CD1 4.3Å; L820-F870 HydrophobicContact CD2-CG 4.2Å; K866-F870 HydrophobicContact CG-CE2 3.87Å; K866-F870 HydrophobicContact CG-CZ 4.25Å; F870-S872 PolarHBondContact O-N 3.02Å; F870-S872 VanDerWaalsContact O-N 3.1Å
871	S	55.5	Low	63.7	Low	68 Å²	68	85.5 Å²	85.5	48%	0.476	40%	0.401	S	S	.	.			trans	-61.8	114.8	174.7	58.4	0	0	0	0	108.8	P869 Q876	P869-S871 PolarHBondContact O-N 3.43Å; S871-Q876 PolarHBondContact OG-NE2 3.11Å
872	S	48.6	Very low	61	Low	31 Å²	31	89 Å²	89	22%	0.217	42%	0.417	C	S	.	.			trans	-64.6	156.1	173.9	78.8	0	0	0	0	109.7	F870 F874 T875 Q876	F870-S872 PolarHBondContact O-N 3.02Å; F870-S872 VanDerWaalsContact O-N 3.1Å; S872-F874 PolarHBondContact O-N 2.78Å; S872-F874 PolarHBondContact OG-N 3.15Å; S872-T875 PolarHBondContact O-N 3.41Å; S872-T875 PolarHBondContact OG-N 3.46Å; S872-T875 VanDerWaalsContact OG-N 3.16Å; S872-T875 PolarHBondContact OG-OG1 3.31Å; S872-Q876 PolarHBondContact O-N 3.42Å
873	L	39	Very low	58.3	Low	130 Å²	130	91 Å²	91	68%	0.681	43%	0.425	S	S	*	.	H	α-helix	trans	-54	-35.6	173.8	-74.3	164.6	0	0	0	111.4	Q876 Q877	L873-Q876 PolarHBondContact O-N 3.35Å; L873-Q877 WeakPolarHBondContact O-CB 3.27Å; L873-Q877 VanDerWaalsContact O-CG 3.32Å; L873-Q877 WeakPolarHBondContact O-CG 3.45Å; L873-Q877 PolarHBondContact O-N 3.07Å
874	F	38.1	Very low	55.6	Low	141 Å²	141	96 Å²	96	62%	0.618	45%	0.448	S	S	*	.	H	α-helix	trans	-62.5	-42.3	171.6	-94	-86.4	0	0	0	113.4	S872 Q876 Q877 K878	S872-F874 PolarHBondContact O-N 2.78Å; S872-F874 PolarHBondContact OG-N 3.15Å; F874-Q876 VanDerWaalsContact C-N 3.34Å; F874-Q877 PolarHBondContact O-N 3.04Å; F874-K878 WeakPolarHBondContact O-CB 3.35Å; F874-K878 PolarHBondContact O-N 3.08Å
875	T	40.4	Very low	53.1	Low	71 Å²	71	96.1 Å²	96.1	44%	0.436	45%	0.451	S	S	.	.	H	α-helix	trans	-68.2	-35.5	176.9	-35.2	0	0	0	0	111.6	S872 R879	S872-T875 PolarHBondContact O-N 3.41Å; S872-T875 PolarHBondContact OG-N 3.46Å; S872-T875 VanDerWaalsContact OG-N 3.16Å; S872-T875 PolarHBondContact OG-OG1 3.31Å; T875-R879 WeakPolarHBondContact O-CB 3.47Å; T875-R879 PolarHBondContact O-N 3.09Å
876	Q	34.6	Very low	50.6	Low	86 Å²	86	100.5 Å²	100.5	40%	0.402	47%	0.473	S	S	.	.	H	α-helix	trans	-69.1	-39.1	173	-69.1	-171.9	-4.2	0	0	112.4	S871 S872 L873 F874 R880	S871-Q876 PolarHBondContact OG-NE2 3.11Å; S872-Q876 PolarHBondContact O-N 3.42Å; L873-Q876 PolarHBondContact O-N 3.35Å; F874-Q876 VanDerWaalsContact C-N 3.34Å; Q876-R880 VanDerWaalsContact O-CB 3.27Å; Q876-R880 WeakPolarHBondContact O-CB 3.29Å; Q876-R880 VanDerWaalsContact O-CG 3.3Å; Q876-R880 WeakPolarHBondContact O-CG 3.41Å; Q876-R880 PolarHBondContact O-N 2.8Å
877	Q	34.5	Very low	48.3	Very low	122 Å²	122	100.5 Å²	100.5	57%	0.57	48%	0.481	S	S	*	.	H	α-helix	trans	-66.2	-42.8	174.3	-77.7	177	-4.8	0	0	111.6	L873 F874 R880 K881	L873-Q877 WeakPolarHBondContact O-CB 3.27Å; L873-Q877 VanDerWaalsContact O-CG 3.32Å; L873-Q877 WeakPolarHBondContact O-CG 3.45Å; L873-Q877 PolarHBondContact O-N 3.07Å; F874-Q877 PolarHBondContact O-N 3.04Å; Q877-R880 PolarHBondContact O-N 3.13Å; Q877-K881 WeakPolarHBondContact O-CB 3.17Å; Q877-K881 PolarHBondContact O-N 3.07Å
878	K	36.2	Very low	46	Very low	134 Å²	134	105 Å²	105	58%	0.583	51%	0.505	S	S	*	.	H	α-helix	trans	-63	-48.4	176.6	-164	176.1	-168.9	-89	0	111.3	F874 K881 E882	F874-K878 WeakPolarHBondContact O-CB 3.35Å; F874-K878 PolarHBondContact O-N 3.08Å; K878-K881 PolarHBondContact O-N 3.02Å; K878-K881 VanDerWaalsContact O-N 3.14Å; K878-E882 IonicContact NZ-OE1 3.77Å; K878-E882 PolarHBondContact NZ-OE1 2.96Å; K878-E882 WeakPolarHBondContact O-CB 3.39Å; K878-E882 WeakPolarHBondContact O-CG 3.39Å; K878-E882 PolarHBondContact O-N 2.97Å
879	R	35.8	Very low	44	Very low	170 Å²	170	103.6 Å²	103.6	64%	0.642	51%	0.508	S	S	*	.	H	α-helix	trans	-58.2	-49.4	172.7	-84.2	-173.2	170.6	179.7	-3.8	112.4	T875 K881 E882 D883	T875-R879 WeakPolarHBondContact O-CB 3.47Å; T875-R879 PolarHBondContact O-N 3.09Å; R879-K881 PolarHBondContact O-N 3.19Å; R879-E882 PolarHBondContact O-N 2.84Å; R879-E882 VanDerWaalsContact O-N 3.16Å; R879-D883 WeakPolarHBondContact O-CB 3.46Å; R879-D883 PolarHBondContact O-N 3.35Å; R879-D883 VanDerWaalsContact O-OD2 3.13Å
880	R	36.7	Very low	42.2	Very low	173 Å²	173	109.2 Å²	109.2	65%	0.653	53%	0.529	S	S	*	.	H	α-helix	trans	-58.3	-32.1	176	-80.7	179.3	171.6	-177.5	-1.5	113.2	Q876 Q877 M884	Q876-R880 VanDerWaalsContact O-CB 3.27Å; Q876-R880 WeakPolarHBondContact O-CB 3.29Å; Q876-R880 VanDerWaalsContact O-CG 3.3Å; Q876-R880 WeakPolarHBondContact O-CG 3.41Å; Q876-R880 PolarHBondContact O-N 2.8Å; Q877-R880 PolarHBondContact O-N 3.13Å; R880-M884 WeakPolarHBondContact O-CB 3.42Å; R880-M884 VanDerWaalsContact O-CE 3.3Å; R880-M884 WeakPolarHBondContact O-CE 3.14Å; R880-M884 PolarHBondContact O-N 3.2Å
881	K	36.7	Very low	40.9	Very low	124 Å²	124	108.2 Å²	108.2	54%	0.539	54%	0.543	S	S	.	.	H	α-helix	trans	-75.4	-44.6	176.6	-160	-173.2	-177.1	-117.7	0	111.3	Q877 K878 R879 M884 E885	Q877-K881 WeakPolarHBondContact O-CB 3.17Å; Q877-K881 PolarHBondContact O-N 3.07Å; K878-K881 PolarHBondContact O-N 3.02Å; K878-K881 VanDerWaalsContact O-N 3.14Å; R879-K881 PolarHBondContact O-N 3.19Å; K881-M884 PolarHBondContact O-N 3.5Å; K881-E885 WeakPolarHBondContact CE-OE1 3.42Å; K881-E885 IonicContact NZ-OE1 3.27Å; K881-E885 PolarHBondContact NZ-OE1 2.9Å; K881-E885 WeakPolarHBondContact O-CB 3.48Å; K881-E885 WeakPolarHBondContact O-CG 3.47Å; K881-E885 PolarHBondContact O-N 2.92Å
882	E	41.6	Very low	40	Very low	77 Å²	77	116.7 Å²	116.7	36%	0.36	57%	0.571	S	S	.	*	H	α-helix	trans	-60.9	-43.3	173.6	-70.6	164.7	170.1	0	0	111.1	K878 R879 E885 L886	K878-E882 IonicContact NZ-OE1 3.77Å; K878-E882 PolarHBondContact NZ-OE1 2.96Å; K878-E882 WeakPolarHBondContact O-CB 3.39Å; K878-E882 WeakPolarHBondContact O-CG 3.39Å; K878-E882 PolarHBondContact O-N 2.97Å; R879-E882 PolarHBondContact O-N 2.84Å; R879-E882 VanDerWaalsContact O-N 3.16Å; E882-E885 PolarHBondContact O-N 2.65Å; E882-L886 WeakPolarHBondContact O-CB 3.34Å; E882-L886 WeakPolarHBondContact O-CG 3.43Å; E882-L886 PolarHBondContact O-N 3.15Å
883	D	41.4	Very low	39.6	Very low	98 Å²	98	121 Å²	121	52%	0.524	59%	0.589	S	S	.	*	H	α-helix	trans	-66	-35	174.9	-64.5	-32.1	0	0	0	112.1	R879 S887	R879-D883 WeakPolarHBondContact O-CB 3.46Å; R879-D883 PolarHBondContact O-N 3.35Å; R879-D883 VanDerWaalsContact O-OD2 3.13Å; D883-S887 WeakPolarHBondContact O-CB 3.48Å; D883-S887 PolarHBondContact O-N 3.37Å; D883-S887 PolarHBondContact O-OG 2.8Å
884	M	39.7	Very low	39.6	Very low	109 Å²	109	120.5 Å²	120.5	54%	0.537	58%	0.584	S	S	.	*	H	α-helix	trans	-71	-39	171.6	-93.1	-174.1	-73.7	0	0	112.6	R880 K881 S887 N888	R880-M884 WeakPolarHBondContact O-CB 3.42Å; R880-M884 VanDerWaalsContact O-CE 3.3Å; R880-M884 WeakPolarHBondContact O-CE 3.14Å; R880-M884 PolarHBondContact O-N 3.2Å; K881-M884 PolarHBondContact O-N 3.5Å; M884-S887 WeakPolarHBondContact CA-OG 3.35Å; M884-S887 PolarHBondContact O-OG 2.8Å; M884-N888 WeakPolarHBondContact O-CB 3.37Å; M884-N888 PolarHBondContact O-N 3.22Å; M884-N888 PolarHBondContact O-ND2 3.49Å
885	E	43.3	Very low	39.7	Very low	94 Å²	94	119.3 Å²	119.3	44%	0.439	58%	0.582	S	S	.	*	H	α-helix	trans	-69.9	-38.9	178.2	-73.4	170.8	-169.7	0	0	110.3	K881 E882 N888 L889	K881-E885 WeakPolarHBondContact CE-OE1 3.42Å; K881-E885 IonicContact NZ-OE1 3.27Å; K881-E885 PolarHBondContact NZ-OE1 2.9Å; K881-E885 WeakPolarHBondContact O-CB 3.48Å; K881-E885 WeakPolarHBondContact O-CG 3.47Å; K881-E885 PolarHBondContact O-N 2.92Å; E882-E885 PolarHBondContact O-N 2.65Å; E885-N888 PolarHBondContact O-N 3.18Å; E885-L889 WeakPolarHBondContact O-CG 3.4Å; E885-L889 PolarHBondContact O-N 3.42Å; E885-L889 VanDerWaalsContact O-N 3.07Å
886	L	42.2	Very low	39.6	Very low	100 Å²	100	122.2 Å²	122.2	52%	0.524	59%	0.591	S	S	.	*	H	α-helix	trans	-65.5	-42.9	172.6	-78.3	163.3	0	0	0	113.3	E882 L889 Q890	E882-L886 WeakPolarHBondContact O-CB 3.34Å; E882-L886 WeakPolarHBondContact O-CG 3.43Å; E882-L886 PolarHBondContact O-N 3.15Å; L886-L889 PolarHBondContact O-N 2.57Å; L886-Q890 PolarHBondContact O-N 3.4Å; L886-Q890 VanDerWaalsContact O-N 3.13Å
887	S	43.3	Very low	39.9	Very low	67 Å²	67	124.4 Å²	124.4	47%	0.469	60%	0.603	S	S	.	*	H	α-helix	trans	-70	-32.3	177	47.5	0	0	0	0	112.8	D883 M884 L889 Q890 G891	D883-S887 WeakPolarHBondContact O-CB 3.48Å; D883-S887 PolarHBondContact O-N 3.37Å; D883-S887 PolarHBondContact O-OG 2.8Å; M884-S887 WeakPolarHBondContact CA-OG 3.35Å; M884-S887 PolarHBondContact O-OG 2.8Å; S887-L889 VanDerWaalsContact C-N 3.31Å; S887-L889 PolarHBondContact O-N 3.26Å; S887-Q890 PolarHBondContact O-N 2.84Å; S887-G891 PolarHBondContact O-N 2.64Å; S887-G891 VanDerWaalsContact O-N 3.11Å
888	N	43.5	Very low	40.3	Very low	110 Å²	110	124.6 Å²	124.6	59%	0.588	61%	0.605	S	S	*	*	H	α-helix	trans	-71.1	-22.4	170.9	-78.2	-57.1	0	0	0	113.8	M884 E885	M884-N888 WeakPolarHBondContact O-CB 3.37Å; M884-N888 PolarHBondContact O-N 3.22Å; M884-N888 PolarHBondContact O-ND2 3.49Å; E885-N888 PolarHBondContact O-N 3.18Å
889	L	42.8	Very low	40.6	Very low	132 Å²	132	123.9 Å²	123.9	69%	0.691	61%	0.607	S	S	*	*	H	α-helix	trans	-83.1	-17.4	172.2	-83.3	161.7	0	0	0	113.5	E885 L886 S887	E885-L889 WeakPolarHBondContact O-CG 3.4Å; E885-L889 PolarHBondContact O-N 3.42Å; E885-L889 VanDerWaalsContact O-N 3.07Å; L886-L889 PolarHBondContact O-N 2.57Å; S887-L889 VanDerWaalsContact C-N 3.31Å; S887-L889 PolarHBondContact O-N 3.26Å
890	Q	42.8	Very low	41	Very low	171 Å²	171	120.4 Å²	120.4	80%	0.799	60%	0.604	S	S	*	*	H	α-helix	trans	-96.3	-7.6	171.5	-68.7	-178.3	-12.9	0	0	113	L886 S887	L886-Q890 PolarHBondContact O-N 3.4Å; L886-Q890 VanDerWaalsContact O-N 3.13Å; S887-Q890 PolarHBondContact O-N 2.84Å
891	G	42.2	Very low	41.3	Very low	64 Å²	64	116 Å²	116	66%	0.66	60%	0.6	S	S	*	*			trans	-103.5	13.2	178.5	0	0	0	0	0	115.1	S887	S887-G891 PolarHBondContact O-N 2.64Å; S887-G891 VanDerWaalsContact O-N 3.11Å
892	K	36.1	Very low	41.7	Very low	246 Å²	246	115.3 Å²	115.3	100%	1.07	61%	0.605	S	S	*	*			trans	-134.3	0	174.8	-76.8	-173.3	176.9	-179.6	0	110.3

Retrieved 892 of 892 residues in 317 ms (Link to these results)

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